0 B6R1.2 C1=NC=NC1Br AB02015 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 C1=NC=NC1I AB09493 [0,0,0,0,0,0|3,0,1]=4 2 B6R1.2 C1=NC=NC1N MB08721 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C1=NN=CC1Br AB02892 [0,0,0,0,0,0|1,0,2]=3 4 B6R1.2 C1=NN=CC1Cl AB04179 [0,0,0,0,0,0|1,0,2]=3 5 B6R1.2 C1=NN=CC1F AB62567 [0,0,0,0,0,0|1,0,2]=3 6 B6R1.2 C1=NN=CC1N AB09779 [0,0,0,0,0,0|1,0,2]=3 7 B6R1.2 C1=NN=CC1N PB33970 [0,0,0,0,0,0|1,0,2]=3 8 B6R1.2 C1=NN=NC1Br AB57114 [0,0,0,0,0,0|2,0,2]=4 9 B6R1.2 C1C=C(CO1)I AB84905 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 C1C=C(N=N1)Br AB68518 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 C1C=C(N=N1)Br CB10536 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 C1C=C(N=N1)I PB15017 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 C1C=C(N=N1)N PB32063 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 C1CNCC1=O PB21807 [0,0,0,0,0,0|2,0,2]=4 15 B6R1.2 CC1=CCCO1 AB00300 [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 CC1=CN=CC1 PB12076 [0,0,0,0,0,0|1,0,1]=2 17 B6R1.2 CC1=CN=NC1 AB00390 [0,0,0,0,0,0|0,0,2]=2 18 B6R1.2 CC1=NC=CC1 AB12705 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 CC1=NN=NC1 AB70603 [0,0,0,0,0,0|1,0,2]=3 20 B6R1.2 CC1CCNC1 AB41901 [0,0,0,0,0,0|1,0,3]=4 21 B6R1.2 C[C@@H]1CCNC1 AB29518 [0,0,0,0,0,0|1,0,3]=4 22 B6R1.2 C[C@H]1CCNC1 AB29522 [0,0,0,0,0,0|1,0,3]=4 23 B6R1.2 Cc1ccon1 AB01288 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 Cc1cocn1 AB63545 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 Cn1cccn1 PB33818 [0,0,0,0,0,0|4,0,0]=4 26 B6R1.2 Cn1ccnn1 AB51214 [0,0,0,0,0,0|3,0,0]=3 27 B6R1.2 Cn1cnnc1 AB06345 [0,0,0,0,0,0|1,0,1]=2 28 B6R1.2 c1([nH]nnn1)N CB10027 [0,0,0,0,0,0|3,0,1]=4 29 B6R1.2 c1[nH]nc(n1)Br AB09118 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 c1c(con1)Br AB11359 [0,0,0,0,0,0|2,0,0]=2 31 B6R1.2 c1c(con1)F AB68759 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 c1c(con1)N AB43605 [0,0,0,0,0,0|2,0,0]=2 33 B6R1.2 c1c(csn1)Br AB25618 [0,0,0,0,0,0|2,0,0]=2 34 B6R1.2 c1c(csn1)N AB11898 [0,0,0,0,0,0|2,0,0]=2 35 B6R1.2 c1c(nco1)Br AB71589 [0,0,0,0,0,0|4,0,0]=4 36 B6R1.2 c1c(nco1)Cl AB71588 [0,0,0,0,0,0|4,0,0]=4 37 B6R1.2 c1c(nco1)N AB65031 [0,0,0,0,0,0|4,0,0]=4 38 B6R1.2 c1c(nsn1)Br AB65649 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 c1c(ocn1)Br AB68491 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 c1c(ocn1)N MB10132 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 c1c(scn1)Br AB42975 [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 c1cc(oc1)Br AB04890 [0,0,0,0,0,0|4,0,0]=4 43 B6R1.2 c1cc(sc1)N AB08372 [0,0,0,0,0,0|4,0,0]=4 44 B6R1.2 c1ccn(c1)N PB33802 [0,0,0,0,0,0|4,0,0]=4 45 B6R1.2 c1cn(cn1)N AB53511 [0,0,0,0,0,0|3,0,0]=3 46 B6R1.2 c1cnoc1N MB00706 [0,0,0,0,0,0|3,0,0]=3 47 B6R1.2 c1conc1N PB33787 [0,0,0,0,0,0|4,0,0]=4 48 B6R1.2 c1conc1O MB20248 [0,0,0,0,0,0|4,0,0]=4 49 B6R1.2 c1cscc1N MB09694 [0,0,0,0,0,0|3,0,0]=3 50 B6R1.2 c1cscc1N PB23357 [0,0,0,0,0,0|3,0,0]=3 51 B6R1.2 c1nc(sn1)N AB08270 [0,0,0,0,0,0|4,0,0]=4 52 B6R1.2 c1nnc(s1)Br PB10299 [0,0,0,0,0,0|4,0,0]=4 53 B5R1.1 C1C=NN=N1 AB01140 [1,0,0,0,0,0|1,0,2]=4 54 B5R1.1 c1cocn1 PB17048 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.1 C#CC1=CN=NC1 PB15346 [0,1,0,0,0,0|0,0,3]=4 56 B7R1.1 C(c1[nH]nnn1)Cl AB15715 [0,1,0,0,0,0|2,0,1]=4 57 B7R1.1 C(c1[nH]nnn1)N AB28600 [0,1,0,0,0,0|2,0,1]=4 58 B7R1.1 C1=NC=NC1CBr AB53027 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.1 C1=NC=NC1CCl AB09871 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.1 C1=NC=NC1CCl AB43165 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.1 C1=NC=NC1CN AB09180 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.1 C1=NC=NC1CN MB06927 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 C1=NC=NC1CO PB24669 [0,1,0,0,0,0|2,0,1]=4 64 B7R1.1 C1=NN=CC1C#N PB33792 [0,1,0,0,0,0|0,0,3]=4 65 B7R1.1 C1=NN=CC1C=O PB14282 [0,1,0,0,0,0|0,0,3]=4 66 B7R1.1 C1=NN=CC1CCl AB54741 [0,1,0,0,0,0|0,0,2]=3 67 B7R1.1 C1=NN=CC1CCl MB05743 [0,1,0,0,0,0|0,0,2]=3 68 B7R1.1 C1=NN=CC1CN PB32875 [0,1,0,0,0,0|0,0,2]=3 69 B7R1.1 C1=NN=CC1CO PB34185 [0,1,0,0,0,0|0,0,2]=3 70 B7R1.1 C1=NN=NC1CN AB28344 [0,1,0,0,0,0|1,0,2]=4 71 B7R1.1 C1C=C(C=N1)C=O AB15013 [0,1,0,0,0,0|1,0,1]=3 72 B7R1.1 C1C=C(N=N1)C#N CB11158 [0,1,0,0,0,0|2,0,1]=4 73 B7R1.1 C1C=C(N=N1)C=O AB25611 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.1 C1C=C(N=N1)CCl AB44943 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.1 C1C=C(N=N1)CN AB59768 [0,1,0,0,0,0|2,0,0]=3 76 B7R1.1 C1C=C(N=N1)CN CB11648 [0,1,0,0,0,0|2,0,0]=3 77 B7R1.1 C1C=C(N=N1)CN PB34098 [0,1,0,0,0,0|2,0,0]=3 78 B7R1.1 C1C=C(N=N1)CO CB12075 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.1 C1C=C(N=N1)CO PB23601 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.1 C1CC=C(C1)CBr PB30182 [0,1,0,0,0,0|2,0,1]=4 81 B7R1.1 CCC1=CN=CC1 AB31265 [0,1,0,0,0,0|1,0,1]=3 82 B7R1.1 CCC1=NN=CC1 AB65715 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.1 CCn1cncn1 AB31524 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.1 CSC1=NC=NC1 CB10764 [0,1,0,0,0,0|2,0,1]=4 85 B7R1.1 c1[nH]c(nn1)CCl AB48521 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.1 c1[nH]c(nn1)CN AB53782 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.1 c1[nH]nc(n1)CN AB25050 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 c1c(con1)C#N MB01145 [0,1,0,0,0,0|1,0,1]=3 89 B7R1.1 c1c(con1)C=O AB11289 [0,1,0,0,0,0|1,0,1]=3 90 B7R1.1 c1c(con1)CN AB28201 [0,1,0,0,0,0|1,0,0]=2 91 B7R1.1 c1c(con1)CN PB34298 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.1 c1c(con1)CO PB14463 [0,1,0,0,0,0|1,0,0]=2 93 B7R1.1 c1c(csn1)C=O AB62620 [0,1,0,0,0,0|1,0,1]=3 94 B7R1.1 c1c(csn1)CCl AB74096 [0,1,0,0,0,0|1,0,0]=2 95 B7R1.1 c1c(csn1)CN AB62615 [0,1,0,0,0,0|1,0,0]=2 96 B7R1.1 c1c(nco1)CCl AB71585 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.1 c1c(nco1)CN PB29323 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.1 c1c(nco1)CO PB29559 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.1 c1c(ncs1)CCl AB10919 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.1 c1c(ncs1)CN AB27866 [0,1,0,0,0,0|3,0,0]=4 101 B7R1.1 c1c(ncs1)CN PB21996 [0,1,0,0,0,0|3,0,0]=4 102 B7R1.1 c1c(ncs1)CO AB20478 [0,1,0,0,0,0|3,0,0]=4 103 B7R1.1 c1c(ocn1)C#N AB19309 [0,1,0,0,0,0|2,0,1]=4 104 B7R1.1 c1c(ocn1)C=O AB11283 [0,1,0,0,0,0|2,0,1]=4 105 B7R1.1 c1c(ocn1)CCl AB42450 [0,1,0,0,0,0|2,0,0]=3 106 B7R1.1 c1c(ocn1)CN AB30442 [0,1,0,0,0,0|2,0,0]=3 107 B7R1.1 c1c(ocn1)CO PB32681 [0,1,0,0,0,0|2,0,0]=3 108 B7R1.1 c1c(scn1)C=O AB11293 [0,1,0,0,0,0|2,0,1]=4 109 B7R1.1 c1c(scn1)CCl AB64977 [0,1,0,0,0,0|2,0,0]=3 110 B7R1.1 c1c(scn1)CN AB27929 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.1 c1c(scn1)CN PB32316 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.1 c1c(scn1)CO AB20492 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.1 c1cc(oc1)CCl MB06568 [0,1,0,0,0,0|3,0,0]=4 114 B7R1.1 c1cc(sc1)CN PB17027 [0,1,0,0,0,0|3,0,0]=4 115 B7R1.1 c1cc(sc1)CO PB10001 [0,1,0,0,0,0|3,0,0]=4 116 B7R1.1 c1cnoc1CN AB27950 [0,1,0,0,0,0|2,0,0]=3 117 B7R1.1 c1cnoc1CN AB27954 [0,1,0,0,0,0|2,0,0]=3 118 B7R1.1 c1cnoc1CO AB28102 [0,1,0,0,0,0|2,0,0]=3 119 B7R1.1 c1cnsc1C=O AB32448 [0,1,0,0,0,0|2,0,1]=4 120 B7R1.1 c1cnsc1CCl AB70841 [0,1,0,0,0,0|2,0,0]=3 121 B7R1.1 c1cnsc1CN AB70840 [0,1,0,0,0,0|2,0,0]=3 122 B7R1.1 c1conc1CCl MB04274 [0,1,0,0,0,0|3,0,0]=4 123 B7R1.1 c1conc1CN PB24935 [0,1,0,0,0,0|3,0,0]=4 124 B7R1.1 c1conc1CO PB15902 [0,1,0,0,0,0|3,0,0]=4 125 B7R1.1 c1cscc1C#N PB27442 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.1 c1cscc1C=O PB14065 [0,1,0,0,0,0|2,0,1]=4 127 B7R1.1 c1cscc1CN AB13999 [0,1,0,0,0,0|2,0,0]=3 128 B7R1.1 c1cscc1CN PB12237 [0,1,0,0,0,0|2,0,0]=3 129 B7R1.1 c1cscc1CO PB10036 [0,1,0,0,0,0|2,0,0]=3 130 B7R1.1 c1csnc1CN PB23687 [0,1,0,0,0,0|3,0,0]=4 131 B7R1.1 c1nnc(o1)CCl AB08293 [0,1,0,0,0,0|3,0,0]=4 132 B7R1.1 c1nnc(o1)CN AB25336 [0,1,0,0,0,0|3,0,0]=4 133 B7R1.1 c1nnc(s1)CN PB21876 [0,1,0,0,0,0|3,0,0]=4 134 B7R1.1 c1nnc(s1)CO PB21867 [0,1,0,0,0,0|3,0,0]=4 135 B7R1.2 C1=C(N=NC1N)N AB60559 [0,1,0,0,0,0|3,0,0]=4 136 B7R1.2 C1=C(N=NC1N)O AB05046 [0,1,0,0,0,0|3,0,0]=4 137 B7R1.2 C1C(=CC(=O)N1)Br CB11702 [0,1,0,0,0,0|2,0,1]=4 138 B7R1.2 CC1=NC(=NC1)Br AB26590 [0,1,0,0,0,0|2,0,1]=4 139 B7R1.2 CC1=NC(=NC1)Cl AB53096 [0,1,0,0,0,0|2,0,1]=4 140 B7R1.2 CC1=NC(=NC1)N AB27175 [0,1,0,0,0,0|2,0,1]=4 141 B7R1.2 CC1=NC(=NC1)N AB27178 [0,1,0,0,0,0|2,0,1]=4 142 B7R1.2 CC1=NC(=O)N=C1 AB05017 [0,1,0,0,0,0|2,0,0]=3 143 B7R1.2 CC1=NN=C(C1)Br AB63797 [0,1,0,0,0,0|2,0,1]=4 144 B7R1.2 CC1=NN=C(C1)Cl PB14164 [0,1,0,0,0,0|2,0,1]=4 145 B7R1.2 CC1=NN=C(C1)N PB33812 [0,1,0,0,0,0|2,0,1]=4 146 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [0,1,0,0,0,0|3,0,0]=4 147 B7R1.2 Cc1[nH]c(nn1)S AB06112 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [0,1,0,0,0,0|3,0,0]=4 149 B7R1.2 Cc1[nH]cc(n1)N AB60590 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 Cc1[nH]nc(n1)C PB23188 [0,1,0,0,0,0|3,0,0]=4 151 B7R1.2 Cc1cc(cs1)Br AB20690 [0,1,0,0,0,0|3,0,0]=4 152 B7R1.2 Cc1cc(no1)N PB28932 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.2 Cc1cc(on1)N MB00134 [0,1,0,0,0,0|3,0,0]=4 154 B7R1.2 Cc1cc(sc1)C CB10250 [0,1,0,0,0,0|2,0,0]=3 155 B7R1.2 Cc1ccc(o1)Br AB64979 [0,1,0,0,0,0|3,0,0]=4 156 B7R1.2 Cc1ccn(n1)C PB27396 [0,1,0,0,0,0|2,0,0]=3 157 B7R1.2 Cc1cnc(o1)Br AB71573 [0,1,0,0,0,0|2,0,0]=3 158 B7R1.2 Cc1cnc(o1)C AB72158 [0,1,0,0,0,0|2,0,0]=3 159 B7R1.2 Cc1cnc(o1)Cl AB53091 [0,1,0,0,0,0|2,0,0]=3 160 B7R1.2 Cc1cnc(o1)N AB52683 [0,1,0,0,0,0|2,0,0]=3 161 B7R1.2 Cc1cnc(o1)O AB53086 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.2 Cc1cnc(s1)Br AB45716 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.2 Cc1cnc(s1)Cl AB13892 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.2 Cc1cnc(s1)N AB03001 [0,1,0,0,0,0|2,0,0]=3 165 B7R1.2 Cc1cnc(s1)O AB53102 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.2 Cc1coc(n1)Br AB68303 [0,1,0,0,0,0|3,0,0]=4 167 B7R1.2 Cc1coc(n1)Cl AB68302 [0,1,0,0,0,0|3,0,0]=4 168 B7R1.2 Cc1coc(n1)N PB17112 [0,1,0,0,0,0|3,0,0]=4 169 B7R1.2 Cc1csc(n1)Br PB26224 [0,1,0,0,0,0|3,0,0]=4 170 B7R1.2 Cc1csc(n1)N AB00403 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.2 Cc1nc(no1)Cl AB76625 [0,1,0,0,0,0|3,0,0]=4 172 B7R1.2 Cc1nc(no1)N AB44303 [0,1,0,0,0,0|3,0,0]=4 173 B7R1.2 Cc1nc(ns1)Cl AB76996 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.2 Cc1nc(on1)C AB44073 [0,1,0,0,0,0|3,0,0]=4 175 B7R1.2 Cc1ncc(o1)N MB11377 [0,1,0,0,0,0|3,0,0]=4 176 B7R1.2 Cc1ncc(s1)Br AB54339 [0,1,0,0,0,0|3,0,0]=4 177 B7R1.2 Cc1nnc(o1)N PB23353 [0,1,0,0,0,0|3,0,0]=4 178 B7R1.2 Cn1cc(cn1)Br PB34028 [0,1,0,0,0,0|1,0,0]=2 179 B7R1.2 Cn1cc(cn1)F AB68792 [0,1,0,0,0,0|1,0,0]=2 180 B7R1.2 Cn1cc(cn1)N PB29344 [0,1,0,0,0,0|1,0,0]=2 181 B7R1.2 Cn1cc(nc1)I PB23238 [0,1,0,0,0,0|2,0,0]=3 182 B7R1.2 Cn1cc(nc1)N AB11896 [0,1,0,0,0,0|2,0,0]=3 183 B7R1.2 Cn1cc(nn1)Br AB57103 [0,1,0,0,0,0|2,0,0]=3 184 B7R1.2 Cn1ccc(c1)Br AB63663 [0,1,0,0,0,0|2,0,0]=3 185 B7R1.2 Cn1ccc(n1)Br PB19136 [0,1,0,0,0,0|3,0,0]=4 186 B7R1.2 Cn1ccc(n1)I PB26365 [0,1,0,0,0,0|3,0,0]=4 187 B7R1.2 Cn1ccc(n1)N PB12171 [0,1,0,0,0,0|3,0,0]=4 188 B7R1.2 c1c(csc1Cl)N PB15475 [0,1,0,0,0,0|3,0,0]=4 189 B7R1.2 c1c(sc(n1)Br)Cl PB17692 [0,1,0,0,0,0|3,0,0]=4 190 B7R1.2 c1c(sc(n1)Br)F PB13624 [0,1,0,0,0,0|3,0,0]=4 191 B7R1.2 c1c(sc(n1)Br)N AB53265 [0,1,0,0,0,0|3,0,0]=4 192 B7R1.2 c1c(sc(n1)Cl)Br MB14237 [0,1,0,0,0,0|3,0,0]=4 193 B7R1.2 c1c(sc(n1)Cl)Cl PB16960 [0,1,0,0,0,0|3,0,0]=4 194 B7R1.2 c1c(sc(n1)F)Br MB14245 [0,1,0,0,0,0|3,0,0]=4 195 B7R1.2 c1c(sc(n1)N)Cl PB27400 [0,1,0,0,0,0|3,0,0]=4 196 B7R1.2 c1c(sc(n1)N)F PB24037 [0,1,0,0,0,0|3,0,0]=4 197 B7R1.2 c1c(sc(n1)N)N AB53268 [0,1,0,0,0,0|3,0,0]=4 198 B7R1.4 C1=NC=C(C1F)F AB51492 [0,1,0,0,0,0|2,0,1]=4 199 B7R1.4 C1=NN=C(C1Br)N PB32103 [0,1,0,0,0,0|1,0,2]=4 200 B7R1.4 C1=NN=C(C1N)N PB24174 [0,1,0,0,0,0|1,0,2]=4 201 B7R1.4 CC1=C(C=NC1)C PB27606 [0,1,0,0,0,0|1,0,0]=2 202 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,1,0,0,0,0|0,0,2]=3 203 B7R1.4 CC1=C(N=NC1)N AB44283 [0,1,0,0,0,0|0,0,2]=3 204 B7R1.4 CC1=C(N=NC1)N AB72239 [0,1,0,0,0,0|0,0,2]=3 205 B7R1.4 CC1=NC=NC1Br AB26578 [0,1,0,0,0,0|2,0,1]=4 206 B7R1.4 CC1=NC=NC1N MB11358 [0,1,0,0,0,0|2,0,1]=4 207 B7R1.4 CC1=NN=CC1Br CB10025 [0,1,0,0,0,0|1,0,2]=4 208 B7R1.4 CC1=NN=CC1N MB09907 [0,1,0,0,0,0|1,0,2]=4 209 B7R1.4 CC1=NN=NC1Br MB14576 [0,1,0,0,0,0|1,0,2]=4 210 B7R1.4 CC1C(=NC=N1)C AB09621 [0,1,0,0,0,0|2,0,1]=4 211 B7R1.4 Cc1c(cco1)N AB71442 [0,1,0,0,0,0|3,0,0]=4 212 B7R1.4 Cc1c(cno1)N MB10128 [0,1,0,0,0,0|2,0,0]=3 213 B7R1.4 Cc1c(con1)N MB11367 [0,1,0,0,0,0|2,0,0]=3 214 B7R1.4 Cc1c(nco1)N MB11380 [0,1,0,0,0,0|2,0,0]=3 215 B7R1.4 Cc1c(ocn1)C AB63543 [0,1,0,0,0,0|2,0,0]=3 216 B7R1.4 Cc1c(ocn1)N MB11381 [0,1,0,0,0,0|3,0,0]=4 217 B7R1.4 Cc1ccsc1Br PB25943 [0,1,0,0,0,0|2,0,0]=3 218 B7R1.4 Cc1cnoc1N MB11360 [0,1,0,0,0,0|1,0,0]=2 219 B7R1.4 Cc1conc1N MB11363 [0,1,0,0,0,0|1,0,0]=2 220 B7R1.4 Cc1nccn1N AB44383 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.4 Cn1c(ccn1)N PB33809 [0,1,0,0,0,0|3,0,0]=4 222 B7R1.4 Cn1c(cnn1)Br AB69597 [0,1,0,0,0,0|2,0,1]=4 223 B7R1.4 Cn1c(cnn1)I AB69606 [0,1,0,0,0,0|2,0,1]=4 224 B7R1.4 Cn1ccnc1Br AB11315 [0,1,0,0,0,0|2,0,0]=3 225 B7R1.4 Cn1ccnc1Cl AB11324 [0,1,0,0,0,0|2,0,0]=3 226 B7R1.4 Cn1ccnc1I PB32223 [0,1,0,0,0,0|2,0,0]=3 227 B7R1.4 Cn1ccnc1N AB59774 [0,1,0,0,0,0|2,0,0]=3 228 B7R1.4 Cn1cncc1Br AB09509 [0,1,0,0,0,0|2,0,0]=3 229 B7R1.4 Cn1cncc1I PB12244 [0,1,0,0,0,0|2,0,0]=3 230 B7R1.4 Cn1cnnc1Br AB57304 [0,1,0,0,0,0|1,0,1]=3 231 B7R1.4 c1[nH]c(c(n1)Br)Br AB03286 [0,1,0,0,0,0|3,0,0]=4 232 B7R1.4 c1[nH]c(c(n1)I)I AB07820 [0,1,0,0,0,0|3,0,0]=4 233 B7R1.4 c1c(c(cs1)Br)Br AB00432 [0,1,0,0,0,0|3,0,0]=4 234 B7R1.4 c1coc(c1N)Br AB71394 [0,1,0,0,0,0|3,0,0]=4 235 B5R0.1 CC(=O)\C=N\O AB00206 [0,0,1,0,0,0|2,0,0]=3 236 B5R1.2 C1C(=O)CN1 PB32275 [0,0,0,0,1,0|1,0,2]=4 237 B5R1.2 CC1CNC1 PB16157 [0,0,0,0,1,0|0,0,3]=4 238 B7R1.3 Cc1cccnn1 PB33649 [0,0,0,0,0,1|2,0,0]=3 239 B7R1.3 Cc1ccncn1 PB17038 [0,0,0,0,0,1|1,0,0]=2 240 B7R1.3 Cc1ccnnc1 PB24546 [0,0,0,0,0,1|0,0,1]=2 241 B7R1.3 Cc1nccnn1 AB55984 [0,0,0,0,0,1|2,0,0]=3 242 B7R1.3 c1c(cncn1)Br PB28945 [0,0,0,0,0,1|1,0,1]=3 243 B7R1.3 c1c(cncn1)Cl AB16528 [0,0,0,0,0,1|1,0,1]=3 244 B7R1.3 c1c(cncn1)N PB12745 [0,0,0,0,0,1|1,0,1]=3 245 B7R1.3 c1c(cncn1)O PB27730 [0,0,0,0,0,1|1,0,1]=3 246 B7R1.3 c1cc(cnc1)Br AB00739 [0,0,0,0,0,1|2,0,0]=3 247 B7R1.3 c1cc(cnc1)I AB01382 [0,0,0,0,0,1|2,0,0]=3 248 B7R1.3 c1cc(cnc1)[O-] MB00567 [0,0,0,0,0,1|2,0,0]=3 249 B7R1.3 c1cc(nnc1)Br MB08580 [0,0,0,0,0,1|3,0,0]=4 250 B7R1.3 c1cc(nnc1)Cl AB30021 [0,0,0,0,0,1|3,0,0]=4 251 B7R1.3 c1cc(nnc1)Cl PB34726 [0,0,0,0,0,1|3,0,0]=4 252 B7R1.3 c1cc(nnc1)N PB17217 [0,0,0,0,0,1|3,0,0]=4 253 B7R1.3 c1cc(nnc1)O PB32258 [0,0,0,0,0,1|3,0,0]=4 254 B7R1.3 c1ccnc(c1)Br AB00627 [0,0,0,0,0,1|3,0,0]=4 255 B7R1.3 c1cnc(cn1)Br MB06072 [0,0,0,0,0,1|2,0,0]=3 256 B7R1.3 c1cnc(cn1)I AB08841 [0,0,0,0,0,1|2,0,0]=3 257 B7R1.3 c1cnc(cn1)N PB30528 [0,0,0,0,0,1|2,0,0]=3 258 B7R1.3 c1cnc(cn1)O AB05056 [0,0,0,0,0,1|2,0,0]=3 259 B7R1.3 c1cnccc1Br AB05093 [0,0,0,0,0,1|2,0,0]=3 260 B7R1.3 c1cnccc1I AB10861 [0,0,0,0,0,1|2,0,0]=3 261 B7R1.3 c1cnccc1O PB17041 [0,0,0,0,0,1|2,0,0]=3 262 B7R1.3 c1cncnc1Br PB10690 [0,0,0,0,0,1|2,0,0]=3 263 B7R1.3 c1cncnc1Cl AB43600 [0,0,0,0,0,1|2,0,0]=3 264 B7R1.3 c1cncnc1Cl PB13479 [0,0,0,0,0,1|2,0,0]=3 265 B7R1.3 c1cncnc1N PB11581 [0,0,0,0,0,1|2,0,0]=3 266 B7R1.3 c1cncnc1O PB32093 [0,0,0,0,0,1|2,0,0]=3 267 B7R1.3 c1cnnc(n1)Cl AB72415 [0,0,0,0,0,1|3,0,0]=4 268 B7R1.3 c1cnnc(n1)N AB00769 [0,0,0,0,0,1|3,0,0]=4 269 B7R1.3 c1cnncc1Br AB48350 [0,0,0,0,0,1|1,0,1]=3 270 B7R1.3 c1cnncc1Cl AB50535 [0,0,0,0,0,1|1,0,1]=3 271 B7R1.3 c1cnncc1I AB70137 [0,0,0,0,0,1|1,0,1]=3 272 B7R1.3 c1cnncc1N PB29051 [0,0,0,0,0,1|1,0,1]=3 273 B7R1.3 c1cnncc1N PB39062 [0,0,0,0,0,1|1,0,1]=3 274 B4R0.1 CC(=N)NN AB09895 [1,0,1,0,0,0|1,0,0]=3 275 B4R0.1 CC(=O)C=O AB00820 [1,0,1,0,0,0|2,0,0]=4 276 B4R0.1 CC(=O)NN AB00888 [1,0,1,0,0,0|1,0,1]=4 277 B4R0.1 CC(=O)NO AB01014 [1,0,1,0,0,0|2,0,0]=4 278 B4R0.1 C\C(=N\O)\N AB06530 [1,0,1,0,0,0|2,0,0]=4 279 B4R0.1 C\C=C(/C)\Br AB00105 [1,0,1,0,0,0|2,0,0]=4 280 B4R0.2 C=CCCN AB14698 [1,0,1,0,0,0|1,0,1]=4 281 B6R0.1 COC(=O)\C=C\N AB31601 [0,1,1,0,0,0|2,0,0]=4 282 B8R1.2 C#Cc1cccnc1 PB29186 [0,1,0,0,0,1|1,0,1]=4 283 B8R1.2 C#Cc1ccncc1 PB29291 [0,1,0,0,0,1|1,0,1]=4 284 B8R1.2 C#Cc1ccncn1 AB69106 [0,1,0,0,0,1|1,0,1]=4 285 B8R1.2 C#Cc1cnccn1 PB18058 [0,1,0,0,0,1|1,0,1]=4 286 B8R1.2 C#Cc1cncnc1 PB12263 [0,1,0,0,0,1|0,0,2]=4 287 B8R1.2 CNc1cccnc1 AB09114 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.2 CNc1ccncn1 AB60623 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.2 CNc1cncnc1 AB60774 [0,1,0,0,0,1|0,0,1]=3 290 B8R1.2 COc1cccnc1 AB06864 [0,1,0,0,0,1|1,0,0]=3 291 B8R1.2 COc1cccnn1 AB05130 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.2 COc1ccnnc1 AB44150 [0,1,0,0,0,1|0,0,1]=3 293 B8R1.2 c1c(cncn1)C#N PB29060 [0,1,0,0,0,1|0,0,2]=4 294 B8R1.2 c1c(cncn1)C=O PB32342 [0,1,0,0,0,1|0,0,2]=4 295 B8R1.2 c1c(cncn1)CCl PB31962 [0,1,0,0,0,1|0,0,1]=3 296 B8R1.2 c1c(cncn1)CCl PB34530 [0,1,0,0,0,1|0,0,1]=3 297 B8R1.2 c1c(cncn1)CN PB26277 [0,1,0,0,0,1|0,0,1]=3 298 B8R1.2 c1c(cncn1)CO PB18631 [0,1,0,0,0,1|0,0,1]=3 299 B8R1.2 c1c(cncn1)NN PB30357 [0,1,0,0,0,1|1,0,1]=4 300 B8R1.2 c1cc(cnc1)C=O AB00744 [0,1,0,0,0,1|1,0,1]=4 301 B8R1.2 c1cc(cnc1)CCl AB01984 [0,1,0,0,0,1|1,0,0]=3 302 B8R1.2 c1cc(cnc1)CN AB00752 [0,1,0,0,0,1|1,0,0]=3 303 B8R1.2 c1cc(cnc1)NN AB42924 [0,1,0,0,0,1|2,0,0]=4 304 B8R1.2 c1cc(cnc1)NN PB18886 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.2 c1cc(nnc1)CCl PB28814 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.2 c1cc(nnc1)CN PB29341 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.2 c1cc(nnc1)CO PB30818 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.2 c1ccnc(c1)CBr MB02148 [0,1,0,0,0,1|2,0,0]=4 309 B8R1.2 c1ccnc(c1)CCl AB22495 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.2 c1ccnc(c1)CN AB00731 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.2 c1cnc(cn1)C#N AB02102 [0,1,0,0,0,1|1,0,1]=4 312 B8R1.2 c1cnc(cn1)C=O PB19982 [0,1,0,0,0,1|1,0,1]=4 313 B8R1.2 c1cnc(cn1)CCl PB20483 [0,1,0,0,0,1|1,0,0]=3 314 B8R1.2 c1cnc(cn1)CN PB14180 [0,1,0,0,0,1|1,0,0]=3 315 B8R1.2 c1cnc(cn1)CO PB21779 [0,1,0,0,0,1|1,0,0]=3 316 B8R1.2 c1cnc(cn1)NN PB12798 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.2 c1cnccc1C=O AB00754 [0,1,0,0,0,1|1,0,1]=4 318 B8R1.2 c1cnccc1CCl AB15539 [0,1,0,0,0,1|1,0,0]=3 319 B8R1.2 c1cnccc1CN AB00767 [0,1,0,0,0,1|1,0,0]=3 320 B8R1.2 c1cnccc1NN PB27392 [0,1,0,0,0,1|2,0,0]=4 321 B8R1.2 c1cnccc1ON AB31585 [0,1,0,0,0,1|2,0,0]=4 322 B8R1.2 c1cncnc1C=O AB16150 [0,1,0,0,0,1|1,0,1]=4 323 B8R1.2 c1cncnc1CCl AB58895 [0,1,0,0,0,1|1,0,0]=3 324 B8R1.2 c1cncnc1CN PB10439 [0,1,0,0,0,1|1,0,0]=3 325 B8R1.2 c1cncnc1CO PB12296 [0,1,0,0,0,1|1,0,0]=3 326 B8R1.2 c1cnncc1C#N PB16131 [0,1,0,0,0,1|0,0,2]=4 327 B8R1.2 c1cnncc1C=O PB17346 [0,1,0,0,0,1|0,0,2]=4 328 B8R1.2 c1cnncc1CN PB31361 [0,1,0,0,0,1|0,0,1]=3 329 B8R1.2 c1cnncc1CO PB26178 [0,1,0,0,0,1|0,0,1]=3 330 B8R1.2 c1ncnc(n1)CCl AB73492 [0,1,0,0,0,1|2,0,0]=4 331 B8R1.2 c1ncnc(n1)CN AB60787 [0,1,0,0,0,1|2,0,0]=4 332 B8R1.3 C1C=C(C=NC1=S)N AB31875 [0,1,0,0,0,1|2,0,0]=4 333 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.3 Cc1ccc(cn1)Br AB06624 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.3 Cc1ccc(cn1)Cl AB17956 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.3 Cc1ccc(cn1)F PB18589 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.3 Cc1ccc(cn1)N PB32227 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.3 Cc1ccc(cn1)O PB30543 [0,1,0,0,0,1|2,0,0]=4 339 B8R1.3 Cc1ccc(nc1)Br PB17145 [0,1,0,0,0,1|1,0,0]=3 340 B8R1.3 Cc1ccc(nc1)Cl AB07104 [0,1,0,0,0,1|1,0,0]=3 341 B8R1.3 Cc1ccc(nc1)F AB01857 [0,1,0,0,0,1|1,0,0]=3 342 B8R1.3 Cc1ccc(nc1)N AB17938 [0,1,0,0,0,1|1,0,0]=3 343 B8R1.3 Cc1ccc(nc1)O AB13138 [0,1,0,0,0,1|1,0,0]=3 344 B8R1.3 Cc1ccc(nn1)Br PB26503 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.3 Cc1ccc(nn1)Cl PB20885 [0,1,0,0,0,1|2,0,0]=4 346 B8R1.3 Cc1ccc(nn1)I PB11607 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.3 Cc1ccc(nn1)N PB33947 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.3 Cc1cnc(cn1)Br PB27954 [0,1,0,0,0,1|1,0,0]=3 349 B8R1.3 Cc1cnc(cn1)Cl AB02272 [0,1,0,0,0,1|1,0,0]=3 350 B8R1.3 Cc1cnc(cn1)N PB32613 [0,1,0,0,0,1|1,0,0]=3 351 B8R1.3 Cc1cnc(nc1)Cl PB25116 [0,1,0,0,0,1|0,0,1]=3 352 B8R1.3 Cc1cnc(nc1)N AB06143 [0,1,0,0,0,1|0,0,1]=3 353 B8R1.3 Cc1ncc(cn1)Br PB18804 [0,1,0,0,0,1|1,0,1]=4 354 B8R1.3 Cc1ncc(cn1)Cl AB56396 [0,1,0,0,0,1|1,0,1]=4 355 B8R1.3 Cc1ncc(cn1)N PB10666 [0,1,0,0,0,1|1,0,1]=4 356 B8R1.3 Cc1ncc(cn1)O AB54467 [0,1,0,0,0,1|1,0,1]=4 357 B8R1.3 c1c(cnc(n1)Br)F PB19026 [0,1,0,0,0,1|1,0,1]=4 358 B8R1.3 c1c(cnc(n1)Br)N PB24997 [0,1,0,0,0,1|1,0,1]=4 359 B8R1.3 c1c(cnc(n1)Br)O PB31459 [0,1,0,0,0,1|1,0,1]=4 360 B8R1.3 c1c(cnc(n1)Cl)Br PB21707 [0,1,0,0,0,1|1,0,1]=4 361 B8R1.3 c1c(cnc(n1)Cl)Cl PB33909 [0,1,0,0,0,1|1,0,1]=4 362 B8R1.3 c1c(cnc(n1)Cl)F PB15753 [0,1,0,0,0,1|1,0,1]=4 363 B8R1.3 c1c(cnc(n1)Cl)I AB23016 [0,1,0,0,0,1|1,0,1]=4 364 B8R1.3 c1c(cnc(n1)Cl)N PB21893 [0,1,0,0,0,1|1,0,1]=4 365 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [0,1,0,0,0,1|1,0,1]=4 366 B8R1.3 c1c(cnc(n1)F)Br AB42957 [0,1,0,0,0,1|1,0,1]=4 367 B8R1.3 c1c(cnc(n1)I)Br PB12227 [0,1,0,0,0,1|1,0,1]=4 368 B8R1.3 c1c(cnc(n1)N)Br PB10032 [0,1,0,0,0,1|1,0,1]=4 369 B8R1.3 c1c(cnc(n1)N)Cl AB01163 [0,1,0,0,0,1|1,0,1]=4 370 B8R1.3 c1c(cnc(n1)N)O PB32565 [0,1,0,0,0,1|1,0,1]=4 371 B8R1.3 c1c(cnc(n1)O)Br AB05049 [0,1,0,0,0,1|1,0,1]=4 372 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [0,1,0,0,0,1|1,0,1]=4 373 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [0,1,0,0,0,1|2,0,0]=4 374 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [0,1,0,0,0,1|2,0,0]=4 375 B8R1.3 c1c(ncc(n1)Br)F MB14114 [0,1,0,0,0,1|2,0,0]=4 376 B8R1.3 c1c(ncc(n1)Br)N PB26019 [0,1,0,0,0,1|2,0,0]=4 377 B8R1.3 c1c(ncc(n1)Br)O PB26179 [0,1,0,0,0,1|2,0,0]=4 378 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [0,1,0,0,0,1|2,0,0]=4 379 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [0,1,0,0,0,1|2,0,0]=4 380 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [0,1,0,0,0,1|2,0,0]=4 381 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [0,1,0,0,0,1|2,0,0]=4 382 B8R1.3 c1c(ncc(n1)F)F AB85705 [0,1,0,0,0,1|2,0,0]=4 383 B8R1.3 c1c(ncc(n1)I)Br PB27853 [0,1,0,0,0,1|2,0,0]=4 384 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [0,1,0,0,0,1|2,0,0]=4 385 B8R1.3 c1c(ncc(n1)N)N AB53076 [0,1,0,0,0,1|2,0,0]=4 386 B8R1.3 c1c(ncc(n1)O)O AB44015 [0,1,0,0,0,1|2,0,0]=4 387 B8R1.3 c1cc(ncc1Br)Br AB00634 [0,1,0,0,0,1|2,0,0]=4 388 B8R1.3 c1cc(ncc1Br)Cl AB08767 [0,1,0,0,0,1|2,0,0]=4 389 B8R1.3 c1cc(ncc1Br)F PB30707 [0,1,0,0,0,1|2,0,0]=4 390 B8R1.3 c1cc(ncc1Br)N PB30536 [0,1,0,0,0,1|2,0,0]=4 391 B8R1.3 c1cc(ncc1Br)O AB05097 [0,1,0,0,0,1|2,0,0]=4 392 B8R1.3 c1cc(ncc1Br)S AB51097 [0,1,0,0,0,1|2,0,0]=4 393 B8R1.3 c1cc(ncc1Cl)Br AB05069 [0,1,0,0,0,1|2,0,0]=4 394 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [0,1,0,0,0,1|2,0,0]=4 395 B8R1.3 c1cc(ncc1Cl)F AB17577 [0,1,0,0,0,1|2,0,0]=4 396 B8R1.3 c1cc(ncc1Cl)I AB32114 [0,1,0,0,0,1|2,0,0]=4 397 B8R1.3 c1cc(ncc1Cl)N AB00712 [0,1,0,0,0,1|2,0,0]=4 398 B8R1.3 c1cc(ncc1F)Br PB17160 [0,1,0,0,0,1|2,0,0]=4 399 B8R1.3 c1cc(ncc1F)I AB42989 [0,1,0,0,0,1|2,0,0]=4 400 B8R1.3 c1cc(ncc1F)N AB10107 [0,1,0,0,0,1|2,0,0]=4 401 B8R1.3 c1cc(ncc1I)Br PB14333 [0,1,0,0,0,1|2,0,0]=4 402 B8R1.3 c1cc(ncc1I)Cl AB10394 [0,1,0,0,0,1|2,0,0]=4 403 B8R1.3 c1cc(ncc1I)N PB25985 [0,1,0,0,0,1|2,0,0]=4 404 B8R1.3 c1cc(ncc1I)O AB05112 [0,1,0,0,0,1|2,0,0]=4 405 B8R1.3 c1cc(ncc1N)Br PB17224 [0,1,0,0,0,1|2,0,0]=4 406 B8R1.3 c1cc(ncc1N)Cl AB00661 [0,1,0,0,0,1|2,0,0]=4 407 B8R1.3 c1cc(ncc1N)F PB33962 [0,1,0,0,0,1|2,0,0]=4 408 B8R1.3 c1cc(ncc1N)O AB15078 [0,1,0,0,0,1|2,0,0]=4 409 B8R1.3 c1cc(ncc1O)Br PB15771 [0,1,0,0,0,1|2,0,0]=4 410 B8R1.3 c1cc(ncc1O)Cl PB32188 [0,1,0,0,0,1|2,0,0]=4 411 B8R1.3 c1cc(ncc1O)F AB08123 [0,1,0,0,0,1|2,0,0]=4 412 B8R1.3 c1cc(ncc1O)I AB50021 [0,1,0,0,0,1|2,0,0]=4 413 B8R1.3 c1cc(ncc1O)N AB15563 [0,1,0,0,0,1|2,0,0]=4 414 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,1,0,0,0,1|2,0,0]=4 415 B8R1.4 C1C(=CN=NC1=O)I PB18920 [0,1,0,0,0,1|1,0,1]=4 416 B8R1.4 C1C(=CN=NC1=O)N PB19162 [0,1,0,0,0,1|1,0,1]=4 417 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,1,0,0,0,1|2,0,0]=4 418 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,1,0,0,0,1|2,0,0]=4 419 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,1,0,0,0,1|2,0,0]=4 420 B8R1.4 Cc1cc(ccn1)F AB17919 [0,1,0,0,0,1|2,0,0]=4 421 B8R1.4 Cc1cc(ccn1)O PB24839 [0,1,0,0,0,1|2,0,0]=4 422 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,1,0,0,0,1|1,0,0]=3 423 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,1,0,0,0,1|1,0,0]=3 424 B8R1.4 Cc1cc(cnc1)F AB13643 [0,1,0,0,0,1|1,0,0]=3 425 B8R1.4 Cc1cc(cnc1)N AB17573 [0,1,0,0,0,1|1,0,0]=3 426 B8R1.4 Cc1cc(cnc1)O MB01362 [0,1,0,0,0,1|1,0,0]=3 427 B8R1.4 Cc1cc(cnn1)N MB11385 [0,1,0,0,0,1|1,0,1]=4 428 B8R1.4 Cc1cc(ncn1)C PB24534 [0,1,0,0,0,1|1,0,0]=3 429 B8R1.4 Cc1cc(ncn1)Cl PB29204 [0,1,0,0,0,1|1,0,0]=3 430 B8R1.4 Cc1cc(ncn1)N PB12118 [0,1,0,0,0,1|1,0,0]=3 431 B8R1.4 Cc1cc(nnc1)Cl PB14716 [0,1,0,0,0,1|0,0,1]=3 432 B8R1.4 Cc1cc(nnc1)N AB61142 [0,1,0,0,0,1|0,0,1]=3 433 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,1,0,0,0,1|1,0,0]=3 434 B8R1.4 Cc1cccc(n1)Br AB01812 [0,1,0,0,0,1|2,0,0]=4 435 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,1,0,0,0,1|2,0,0]=4 436 B8R1.4 Cc1cccc(n1)F AB01860 [0,1,0,0,0,1|2,0,0]=4 437 B8R1.4 Cc1cccc(n1)N AB00717 [0,1,0,0,0,1|2,0,0]=4 438 B8R1.4 Cc1cccc(n1)O AB00679 [0,1,0,0,0,1|2,0,0]=4 439 B8R1.4 Cc1cccc(n1)S AB25230 [0,1,0,0,0,1|2,0,0]=4 440 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,1,0,0,0,1|1,0,0]=3 441 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,1,0,0,0,1|1,0,0]=3 442 B8R1.4 Cc1ccnc(c1)F AB01854 [0,1,0,0,0,1|1,0,0]=3 443 B8R1.4 Cc1ccnc(c1)N AB00703 [0,1,0,0,0,1|1,0,0]=3 444 B8R1.4 Cc1ccnc(c1)O AB03735 [0,1,0,0,0,1|1,0,0]=3 445 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,1,0,0,0,1|1,0,0]=3 446 B8R1.4 Cc1ccnc(n1)N MB00179 [0,1,0,0,0,1|1,0,0]=3 447 B8R1.4 Cc1cncc(n1)Br AB48617 [0,1,0,0,0,1|1,0,0]=3 448 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,1,0,0,0,1|1,0,0]=3 449 B8R1.4 Cc1cncc(n1)N AB43812 [0,1,0,0,0,1|1,0,0]=3 450 B8R1.4 Cc1cnnc(n1)Cl AB85248 [0,1,0,0,0,1|0,0,1]=3 451 B8R1.4 Cc1nc(cnn1)Cl AB66817 [0,1,0,0,0,1|1,0,1]=4 452 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,1,0,0,0,1|2,0,0]=4 453 B8R1.4 Cc1nccc(n1)N AB06587 [0,1,0,0,0,1|2,0,0]=4 454 B8R1.4 c1c(cncc1Br)Br AB01172 [0,1,0,0,0,1|2,0,0]=4 455 B8R1.4 c1c(cncc1Br)Cl AB18001 [0,1,0,0,0,1|2,0,0]=4 456 B8R1.4 c1c(cncc1Br)N PB12251 [0,1,0,0,0,1|2,0,0]=4 457 B8R1.4 c1c(cncc1Br)O PB30658 [0,1,0,0,0,1|2,0,0]=4 458 B8R1.4 c1c(cncc1Cl)Cl AB00743 [0,1,0,0,0,1|2,0,0]=4 459 B8R1.4 c1c(cncc1Cl)F AB21896 [0,1,0,0,0,1|2,0,0]=4 460 B8R1.4 c1c(cncc1Cl)N AB15758 [0,1,0,0,0,1|2,0,0]=4 461 B8R1.4 c1c(cncc1F)F AB14383 [0,1,0,0,0,1|2,0,0]=4 462 B8R1.4 c1c(cncc1F)N AB05123 [0,1,0,0,0,1|2,0,0]=4 463 B8R1.4 c1c(cncc1F)O AB13569 [0,1,0,0,0,1|2,0,0]=4 464 B8R1.4 c1c(cncc1I)Br AB13102 [0,1,0,0,0,1|2,0,0]=4 465 B8R1.4 c1c(cncc1I)Cl AB43784 [0,1,0,0,0,1|2,0,0]=4 466 B8R1.4 c1c(cncc1I)F AB45557 [0,1,0,0,0,1|2,0,0]=4 467 B8R1.4 c1c(cncc1I)I PB19957 [0,1,0,0,0,1|2,0,0]=4 468 B8R1.4 c1c(cncc1I)N AB43802 [0,1,0,0,0,1|2,0,0]=4 469 B8R1.4 c1c(cncc1N)N AB07746 [0,1,0,0,0,1|2,0,0]=4 470 B8R1.4 c1c(cncc1O)N AB17983 [0,1,0,0,0,1|2,0,0]=4 471 B8R1.4 c1c(cncc1O)O MB02073 [0,1,0,0,0,1|2,0,0]=4 472 B8R1.4 c1c(cnnc1Br)Br AB70143 [0,1,0,0,0,1|1,0,1]=4 473 B8R1.4 c1c(cnnc1Cl)Br AB70142 [0,1,0,0,0,1|1,0,1]=4 474 B8R1.4 c1c(cnnc1Cl)Cl AB61136 [0,1,0,0,0,1|1,0,1]=4 475 B8R1.4 c1c(cnnc1Cl)N PB20792 [0,1,0,0,0,1|1,0,1]=4 476 B8R1.4 c1c(cnnc1N)Cl PB15393 [0,1,0,0,0,1|1,0,1]=4 477 B8R1.4 c1c(cnnc1O)Cl AB61137 [0,1,0,0,0,1|1,0,1]=4 478 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.4 c1c(nc(cn1)Br)F MB14129 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.4 c1c(nc(cn1)Br)N AB60541 [0,1,0,0,0,1|2,0,0]=4 482 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [0,1,0,0,0,1|2,0,0]=4 483 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [0,1,0,0,0,1|2,0,0]=4 484 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [0,1,0,0,0,1|2,0,0]=4 485 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [0,1,0,0,0,1|2,0,0]=4 486 B8R1.4 c1c(nc(nn1)Cl)Cl AB65511 [0,1,0,0,0,1|1,0,1]=4 487 B8R1.4 c1c(nc(nn1)Cl)N AB71508 [0,1,0,0,0,1|1,0,1]=4 488 B8R1.4 c1c(ncnc1Br)Br PB17157 [0,1,0,0,0,1|2,0,0]=4 489 B8R1.4 c1c(ncnc1Br)Cl AB48958 [0,1,0,0,0,1|2,0,0]=4 490 B8R1.4 c1c(ncnc1Br)F MB14209 [0,1,0,0,0,1|2,0,0]=4 491 B8R1.4 c1c(ncnc1Br)N MB00979 [0,1,0,0,0,1|2,0,0]=4 492 B8R1.4 c1c(ncnc1Cl)Cl AB00591 [0,1,0,0,0,1|2,0,0]=4 493 B8R1.4 c1c(ncnc1Cl)N PB24577 [0,1,0,0,0,1|2,0,0]=4 494 B8R1.4 c1c(ncnc1Cl)O AB05055 [0,1,0,0,0,1|2,0,0]=4 495 B8R1.4 c1c(ncnc1I)Cl AB66284 [0,1,0,0,0,1|2,0,0]=4 496 B8R1.4 c1c(ncnc1O)N AB02119 [0,1,0,0,0,1|2,0,0]=4 497 B8R1.4 c1cnc(cc1Br)Br PB10210 [0,1,0,0,0,1|2,0,0]=4 498 B8R1.4 c1cnc(cc1Br)Cl AB16617 [0,1,0,0,0,1|2,0,0]=4 499 B8R1.4 c1cnc(cc1Br)F AB17567 [0,1,0,0,0,1|2,0,0]=4 500 B8R1.4 c1cnc(cc1Br)I AB31627 [0,1,0,0,0,1|2,0,0]=4 501 B8R1.4 c1cnc(cc1Br)N PB12936 [0,1,0,0,0,1|2,0,0]=4 502 B8R1.4 c1cnc(cc1Cl)Br PB23373 [0,1,0,0,0,1|2,0,0]=4 503 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [0,1,0,0,0,1|2,0,0]=4 504 B8R1.4 c1cnc(cc1Cl)F AB17564 [0,1,0,0,0,1|2,0,0]=4 505 B8R1.4 c1cnc(cc1Cl)N PB32361 [0,1,0,0,0,1|2,0,0]=4 506 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,1,0,0,0,1|2,0,0]=4 507 B8R1.4 c1cnc(cc1F)Br AB50032 [0,1,0,0,0,1|2,0,0]=4 508 B8R1.4 c1cnc(cc1F)Cl AB17349 [0,1,0,0,0,1|2,0,0]=4 509 B8R1.4 c1cnc(cc1F)F PB26122 [0,1,0,0,0,1|2,0,0]=4 510 B8R1.4 c1cnc(cc1F)N AB50025 [0,1,0,0,0,1|2,0,0]=4 511 B8R1.4 c1cnc(cc1I)Br PB29229 [0,1,0,0,0,1|2,0,0]=4 512 B8R1.4 c1cnc(cc1I)Cl PB17253 [0,1,0,0,0,1|2,0,0]=4 513 B8R1.4 c1cnc(cc1I)F PB12274 [0,1,0,0,0,1|2,0,0]=4 514 B8R1.4 c1cnc(cc1I)N PB10642 [0,1,0,0,0,1|2,0,0]=4 515 B8R1.4 c1cnc(cc1N)Br PB30686 [0,1,0,0,0,1|2,0,0]=4 516 B8R1.4 c1cnc(cc1N)Cl PB24583 [0,1,0,0,0,1|2,0,0]=4 517 B8R1.4 c1cnc(cc1N)F PB21208 [0,1,0,0,0,1|2,0,0]=4 518 B8R1.4 c1cnc(cc1N)O PB15716 [0,1,0,0,0,1|2,0,0]=4 519 B8R1.4 c1cnc(cc1O)Br AB05095 [0,1,0,0,0,1|2,0,0]=4 520 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,1,0,0,0,1|2,0,0]=4 521 B8R1.4 c1cnc(cc1O)F AB17930 [0,1,0,0,0,1|2,0,0]=4 522 B8R1.4 c1cnc(cc1O)I MB26582 [0,1,0,0,0,1|2,0,0]=4 523 B8R1.4 c1cnc(cc1O)N AB17934 [0,1,0,0,0,1|2,0,0]=4 524 B8R1.4 c1cnc(nc1Br)Br PB17395 [0,1,0,0,0,1|2,0,0]=4 525 B8R1.4 c1cnc(nc1Br)F MB14189 [0,1,0,0,0,1|2,0,0]=4 526 B8R1.4 c1cnc(nc1Br)N PB13233 [0,1,0,0,0,1|2,0,0]=4 527 B8R1.4 c1cnc(nc1Cl)Br MB10108 [0,1,0,0,0,1|2,0,0]=4 528 B8R1.4 c1cnc(nc1Cl)Cl AB00576 [0,1,0,0,0,1|2,0,0]=4 529 B8R1.4 c1cnc(nc1Cl)N PB21638 [0,1,0,0,0,1|2,0,0]=4 530 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,1,0,0,0,1|2,0,0]=4 531 B8R1.4 c1cnc(nc1F)Br MB14089 [0,1,0,0,0,1|2,0,0]=4 532 B8R1.4 c1cnc(nc1N)Br MB09311 [0,1,0,0,0,1|2,0,0]=4 533 B8R1.4 c1cnc(nc1N)Cl PB14147 [0,1,0,0,0,1|2,0,0]=4 534 B8R1.5 CC1C=CN=NC1=O PB32620 [0,1,0,0,0,1|0,0,2]=4 535 B8R1.5 Cc1c(cccn1)Br PB27472 [0,1,0,0,0,1|2,0,0]=4 536 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,1,0,0,0,1|2,0,0]=4 537 B8R1.5 Cc1c(cccn1)F AB48604 [0,1,0,0,0,1|2,0,0]=4 538 B8R1.5 Cc1c(cccn1)N PB33695 [0,1,0,0,0,1|2,0,0]=4 539 B8R1.5 Cc1c(cccn1)O PB18442 [0,1,0,0,0,1|2,0,0]=4 540 B8R1.5 Cc1c(ccnn1)N MB11382 [0,1,0,0,0,1|1,0,1]=4 541 B8R1.5 Cc1c(cncn1)Br PB26552 [0,1,0,0,0,1|1,0,0]=3 542 B8R1.5 Cc1c(cncn1)N PB26435 [0,1,0,0,0,1|1,0,0]=3 543 B8R1.5 Cc1c(nccn1)Br PB10597 [0,1,0,0,0,1|1,0,0]=3 544 B8R1.5 Cc1c(nccn1)Cl PB18413 [0,1,0,0,0,1|1,0,0]=3 545 B8R1.5 Cc1c(nccn1)I PB26409 [0,1,0,0,0,1|1,0,0]=3 546 B8R1.5 Cc1c(nccn1)N PB32667 [0,1,0,0,0,1|1,0,0]=3 547 B8R1.5 Cc1c(nccn1)O PB12942 [0,1,0,0,0,1|1,0,0]=3 548 B8R1.5 Cc1cccnc1Br AB05448 [0,1,0,0,0,1|1,0,0]=3 549 B8R1.5 Cc1cccnc1Cl AB05179 [0,1,0,0,0,1|1,0,0]=3 550 B8R1.5 Cc1cccnc1N AB17908 [0,1,0,0,0,1|1,0,0]=3 551 B8R1.5 Cc1cccnc1O AB03538 [0,1,0,0,0,1|1,0,0]=3 552 B8R1.5 Cc1ccncc1Br AB03104 [0,1,0,0,0,1|1,0,0]=3 553 B8R1.5 Cc1ccncc1Cl AB18019 [0,1,0,0,0,1|1,0,0]=3 554 B8R1.5 Cc1ccncc1F AB18002 [0,1,0,0,0,1|1,0,0]=3 555 B8R1.5 Cc1ccncc1N PB14127 [0,1,0,0,0,1|1,0,0]=3 556 B8R1.5 Cc1ccncc1O PB23391 [0,1,0,0,0,1|1,0,0]=3 557 B8R1.5 Cc1ccnnc1Cl PB34304 [0,1,0,0,0,1|0,0,1]=3 558 B8R1.5 Cc1ccnnc1N MB06298 [0,1,0,0,0,1|0,0,1]=3 559 B8R1.5 Cc1cnccc1Br AB20846 [0,1,0,0,0,1|1,0,0]=3 560 B8R1.5 Cc1cnccc1Br PB23248 [0,1,0,0,0,1|1,0,0]=3 561 B8R1.5 Cc1cnccc1Cl AB11511 [0,1,0,0,0,1|1,0,0]=3 562 B8R1.5 Cc1cnccc1F AB18013 [0,1,0,0,0,1|1,0,0]=3 563 B8R1.5 Cc1cnccc1N PB17234 [0,1,0,0,0,1|1,0,0]=3 564 B8R1.5 Cc1cncnc1Cl AB44072 [0,1,0,0,0,1|0,0,1]=3 565 B8R1.5 Cc1cncnc1N AB54983 [0,1,0,0,0,1|0,0,1]=3 566 B8R1.5 Cc1cncnc1O AB09558 [0,1,0,0,0,1|0,0,1]=3 567 B8R1.5 Cc1cnncc1N MB11384 [0,1,0,0,0,1|0,0,1]=3 568 B8R1.5 c1c(c(ncn1)Br)N MB08406 [0,1,0,0,0,1|1,0,1]=4 569 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [0,1,0,0,0,1|1,0,1]=4 570 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [0,1,0,0,0,1|1,0,1]=4 571 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [0,1,0,0,0,1|1,0,1]=4 572 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [0,1,0,0,0,1|1,0,1]=4 573 B8R1.5 c1c(c(ncn1)I)Br PB11068 [0,1,0,0,0,1|1,0,1]=4 574 B8R1.5 c1c(c(ncn1)N)Br MB00976 [0,1,0,0,0,1|1,0,1]=4 575 B8R1.5 c1c(c(ncn1)N)N AB00594 [0,1,0,0,0,1|1,0,1]=4 576 B8R1.5 c1c(c(ncn1)O)Br PB32183 [0,1,0,0,0,1|1,0,1]=4 577 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [0,1,0,0,0,1|1,0,1]=4 578 B8R1.5 c1c(c(ncn1)O)I PB34035 [0,1,0,0,0,1|1,0,1]=4 579 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [0,1,0,0,0,1|2,0,0]=4 580 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [0,1,0,0,0,1|2,0,0]=4 581 B8R1.5 c1cc(c(nc1)Br)F PB14380 [0,1,0,0,0,1|2,0,0]=4 582 B8R1.5 c1cc(c(nc1)Br)I MB06974 [0,1,0,0,0,1|2,0,0]=4 583 B8R1.5 c1cc(c(nc1)Br)N AB17900 [0,1,0,0,0,1|2,0,0]=4 584 B8R1.5 c1cc(c(nc1)Br)N PB26005 [0,1,0,0,0,1|2,0,0]=4 585 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,1,0,0,0,1|2,0,0]=4 586 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [0,1,0,0,0,1|2,0,0]=4 587 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [0,1,0,0,0,1|2,0,0]=4 588 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [0,1,0,0,0,1|2,0,0]=4 589 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [0,1,0,0,0,1|2,0,0]=4 590 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [0,1,0,0,0,1|2,0,0]=4 591 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,1,0,0,0,1|2,0,0]=4 592 B8R1.5 c1cc(c(nc1)F)I AB13652 [0,1,0,0,0,1|2,0,0]=4 593 B8R1.5 c1cc(c(nc1)F)N AB17917 [0,1,0,0,0,1|2,0,0]=4 594 B8R1.5 c1cc(c(nc1)I)Br AB45745 [0,1,0,0,0,1|2,0,0]=4 595 B8R1.5 c1cc(c(nc1)I)F AB13656 [0,1,0,0,0,1|2,0,0]=4 596 B8R1.5 c1cc(c(nc1)I)I AB25846 [0,1,0,0,0,1|2,0,0]=4 597 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,1,0,0,0,1|2,0,0]=4 598 B8R1.5 c1cc(c(nc1)N)Br PB20016 [0,1,0,0,0,1|2,0,0]=4 599 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [0,1,0,0,0,1|2,0,0]=4 600 B8R1.5 c1cc(c(nc1)N)F AB17912 [0,1,0,0,0,1|2,0,0]=4 601 B8R1.5 c1cc(c(nc1)N)I PB12756 [0,1,0,0,0,1|2,0,0]=4 602 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,1,0,0,0,1|2,0,0]=4 603 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,1,0,0,0,1|2,0,0]=4 604 B8R1.5 c1cc(c(nc1)N)S AB64540 [0,1,0,0,0,1|2,0,0]=4 605 B8R1.5 c1cc(c(nc1)O)Br PB12284 [0,1,0,0,0,1|2,0,0]=4 606 B8R1.5 c1cc(c(nc1)O)F AB13427 [0,1,0,0,0,1|2,0,0]=4 607 B8R1.5 c1cc(c(nc1)O)I AB53303 [0,1,0,0,0,1|2,0,0]=4 608 B8R1.5 c1cc(c(nc1)O)N PB30752 [0,1,0,0,0,1|2,0,0]=4 609 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [0,1,0,0,0,1|1,0,0]=3 610 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [0,1,0,0,0,1|2,0,0]=4 611 B8R1.5 c1cnc(c(n1)N)Br MB08183 [0,1,0,0,0,1|2,0,0]=4 612 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [0,1,0,0,0,1|2,0,0]=4 613 B8R1.5 c1cnc(c(n1)N)N PB10452 [0,1,0,0,0,1|2,0,0]=4 614 B8R1.5 c1cncc(c1Br)Br AB05087 [0,1,0,0,0,1|2,0,0]=4 615 B8R1.5 c1cncc(c1Br)Cl AB17643 [0,1,0,0,0,1|2,0,0]=4 616 B8R1.5 c1cncc(c1Br)F PB23387 [0,1,0,0,0,1|2,0,0]=4 617 B8R1.5 c1cncc(c1Br)N AB17638 [0,1,0,0,0,1|2,0,0]=4 618 B8R1.5 c1cncc(c1Br)O AB13187 [0,1,0,0,0,1|2,0,0]=4 619 B8R1.5 c1cncc(c1Cl)Br AB05074 [0,1,0,0,0,1|2,0,0]=4 620 B8R1.5 c1cncc(c1Cl)Cl AB10192 [0,1,0,0,0,1|2,0,0]=4 621 B8R1.5 c1cncc(c1Cl)F AB15511 [0,1,0,0,0,1|2,0,0]=4 622 B8R1.5 c1cncc(c1Cl)I AB05089 [0,1,0,0,0,1|2,0,0]=4 623 B8R1.5 c1cncc(c1Cl)N AB05299 [0,1,0,0,0,1|2,0,0]=4 624 B8R1.5 c1cncc(c1Cl)O AB12281 [0,1,0,0,0,1|2,0,0]=4 625 B8R1.5 c1cncc(c1F)Br AB17892 [0,1,0,0,0,1|2,0,0]=4 626 B8R1.5 c1cncc(c1F)Cl AB21349 [0,1,0,0,0,1|2,0,0]=4 627 B8R1.5 c1cncc(c1F)F AB18023 [0,1,0,0,0,1|2,0,0]=4 628 B8R1.5 c1cncc(c1F)N AB50028 [0,1,0,0,0,1|2,0,0]=4 629 B8R1.5 c1cncc(c1F)O AB64515 [0,1,0,0,0,1|2,0,0]=4 630 B8R1.5 c1cncc(c1I)F PB21191 [0,1,0,0,0,1|2,0,0]=4 631 B8R1.5 c1cncc(c1I)N PB23406 [0,1,0,0,0,1|2,0,0]=4 632 B8R1.5 c1cncc(c1I)O MB06807 [0,1,0,0,0,1|2,0,0]=4 633 B8R1.5 c1cncc(c1N)Br AB28611 [0,1,0,0,0,1|2,0,0]=4 634 B8R1.5 c1cncc(c1N)Cl AB16891 [0,1,0,0,0,1|2,0,0]=4 635 B8R1.5 c1cncc(c1N)F PB33879 [0,1,0,0,0,1|2,0,0]=4 636 B8R1.5 c1cncc(c1N)I AB12095 [0,1,0,0,0,1|2,0,0]=4 637 B8R1.5 c1cncc(c1O)Br AB09574 [0,1,0,0,0,1|2,0,0]=4 638 B8R1.5 c1cncc(c1O)F AB18011 [0,1,0,0,0,1|2,0,0]=4 639 B8R1.5 c1cnnc(c1Br)Cl AB77054 [0,1,0,0,0,1|1,0,1]=4 640 B8R1.5 c1cnnc(c1Br)O AB77052 [0,1,0,0,0,1|1,0,1]=4 641 B8R1.5 c1cnnc(c1Cl)Cl PB30392 [0,1,0,0,0,1|1,0,1]=4 642 B8R1.1 CC1=CN=C(C1)C=O AB43814 [0,2,0,0,0,0|1,0,1]=4 643 B8R1.1 CCc1cnc(o1)N AB64704 [0,2,0,0,0,0|2,0,0]=4 644 B8R1.1 CCn1cc(cn1)Br AB43826 [0,2,0,0,0,0|1,0,0]=3 645 B8R1.1 CCn1cc(cn1)N PB34103 [0,2,0,0,0,0|1,0,0]=3 646 B8R1.1 CCn1cc(nn1)Br AB84654 [0,2,0,0,0,0|2,0,0]=4 647 B8R1.1 COC1=CC(=O)NC1 AB02829 [0,2,0,0,0,0|1,0,1]=4 648 B8R1.1 COc1cnc(s1)N AB09307 [0,2,0,0,0,0|2,0,0]=4 649 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [0,2,0,0,0,0|2,0,0]=4 650 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [0,2,0,0,0,0|2,0,0]=4 651 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,2,0,0,0,0|2,0,0]=4 652 B8R1.1 Cc1cc(no1)CN AB06189 [0,2,0,0,0,0|2,0,0]=4 653 B8R1.1 Cc1cc(oc1)CN PB24200 [0,2,0,0,0,0|2,0,0]=4 654 B8R1.1 Cc1cc(on1)CCl AB42093 [0,2,0,0,0,0|2,0,0]=4 655 B8R1.1 Cc1cc(on1)CN AB28053 [0,2,0,0,0,0|2,0,0]=4 656 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,2,0,0,0,0|2,0,0]=4 657 B8R1.1 Cc1cc(sc1)CN AB25763 [0,2,0,0,0,0|2,0,0]=4 658 B8R1.1 Cc1cnc(o1)CO AB63479 [0,2,0,0,0,0|2,0,0]=4 659 B8R1.1 Cc1cnc(o1)NC AB65971 [0,2,0,0,0,0|2,0,0]=4 660 B8R1.1 Cc1cnc(s1)C=O AB43202 [0,2,0,0,0,0|2,0,0]=4 661 B8R1.1 Cc1cnc(s1)CCl AB43206 [0,2,0,0,0,0|2,0,0]=4 662 B8R1.1 Cc1cnc(s1)CN AB43201 [0,2,0,0,0,0|2,0,0]=4 663 B8R1.1 Cc1ncc(o1)CCl AB70153 [0,2,0,0,0,0|2,0,0]=4 664 B8R1.1 Cc1ncc(o1)CN AB64071 [0,2,0,0,0,0|2,0,0]=4 665 B8R1.1 Cn1cc(cn1)C#N PB27672 [0,2,0,0,0,0|0,0,1]=3 666 B8R1.1 Cn1cc(cn1)C=O PB23185 [0,2,0,0,0,0|0,0,1]=3 667 B8R1.1 Cn1cc(cn1)CCl AB53748 [0,2,0,0,0,0|0,0,0]=2 668 B8R1.1 Cn1cc(cn1)CN PB29175 [0,2,0,0,0,0|0,0,0]=2 669 B8R1.1 Cn1cc(cn1)CO PB19942 [0,2,0,0,0,0|0,0,0]=2 670 B8R1.1 Cn1cc(nc1)C#N PB20172 [0,2,0,0,0,0|2,0,0]=4 671 B8R1.1 Cn1cc(nc1)C=O PB24797 [0,2,0,0,0,0|2,0,0]=4 672 B8R1.1 Cn1cc(nc1)CCl AB60095 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.1 Cn1cc(nc1)CN PB10356 [0,2,0,0,0,0|2,0,0]=4 674 B8R1.1 Cn1cc(nc1)CO PB13038 [0,2,0,0,0,0|2,0,0]=4 675 B8R1.1 Cn1cc(nn1)C=O AB57105 [0,2,0,0,0,0|1,0,1]=4 676 B8R1.1 Cn1cc(nn1)CCl AB69589 [0,2,0,0,0,0|1,0,0]=3 677 B8R1.1 Cn1cc(nn1)CN AB69591 [0,2,0,0,0,0|1,0,0]=3 678 B8R1.1 Cn1cc(nn1)CO AB69593 [0,2,0,0,0,0|1,0,0]=3 679 B8R1.1 Cn1ccc(c1)CN AB48514 [0,2,0,0,0,0|1,0,0]=3 680 B8R1.1 Cn1ccc(c1)CO AB09760 [0,2,0,0,0,0|1,0,0]=3 681 B8R1.1 Cn1ccc(n1)CBr AB27867 [0,2,0,0,0,0|2,0,0]=4 682 B8R1.1 Cn1ccc(n1)CN PB29254 [0,2,0,0,0,0|2,0,0]=4 683 B8R1.1 Cn1ccc(n1)CO PB20290 [0,2,0,0,0,0|2,0,0]=4 684 B8R1.1 c1c(csc1Br)CN PB32960 [0,2,0,0,0,0|2,0,0]=4 685 B8R1.1 c1c(csc1Cl)CN PB15278 [0,2,0,0,0,0|2,0,0]=4 686 B8R1.1 c1c(csc1Cl)CO PB13604 [0,2,0,0,0,0|2,0,0]=4 687 B8R1.1 c1c(onc1Br)CCl AB26702 [0,2,0,0,0,0|2,0,0]=4 688 B8R1.1 c1c(onc1Br)CN AB11464 [0,2,0,0,0,0|2,0,0]=4 689 B8R1.1 c1c(onc1O)CN MB00477 [0,2,0,0,0,0|2,0,0]=4 690 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [0,2,0,0,0,0|2,0,0]=4 691 B8R1.1 c1c(sc(n1)Br)CN AB49802 [0,2,0,0,0,0|2,0,0]=4 692 B8R1.1 c1c(sc(n1)Br)CO AB20494 [0,2,0,0,0,0|2,0,0]=4 693 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [0,2,0,0,0,0|2,0,0]=4 694 B8R1.1 c1c(sc(n1)N)CO AB23150 [0,2,0,0,0,0|2,0,0]=4 695 B8R1.7 B(c1cnsc1)(O)O AB74094 [0,2,0,0,0,0|2,0,0]=4 696 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [0,2,0,0,0,0|1,0,1]=4 697 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [0,2,0,0,0,0|1,0,1]=4 698 B8R1.7 CC(=O)c1ccsc1 PB17033 [0,2,0,0,0,0|2,0,0]=4 699 B8R1.7 CC(c1ccno1)N AB27932 [0,2,0,0,0,0|2,0,0]=4 700 B8R1.7 CC(c1ccoc1)N AB27902 [0,2,0,0,0,0|2,0,0]=4 701 B8R1.7 CC(c1ccoc1)N AB66830 [0,2,0,0,0,0|2,0,0]=4 702 B8R1.7 c1c(con1)C(=O)O AB27926 [0,2,0,0,0,0|1,0,1]=4 703 B8R1.7 c1c(con1)[N+](=O)[O-] AB25388 [0,2,0,0,0,0|2,0,0]=4 704 B8R1.7 c1c(csn1)C(=O)O AB48586 [0,2,0,0,0,0|1,0,1]=4 705 B8R1.8 C#CCn1ccnc1 AB25329 [0,2,0,0,0,0|2,0,0]=4 706 B8R1.8 C1=NN=CC1CCN AB30567 [0,2,0,0,0,0|0,0,2]=4 707 B8R1.8 C1=NN=CC1CCO AB14476 [0,2,0,0,0,0|0,0,2]=4 708 B8R1.8 C1C=C(N=N1)CC#N PB32609 [0,2,0,0,0,0|2,0,0]=4 709 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,2,0,0,0,0|2,0,0]=4 710 B8R1.8 CNCc1ccno1 AB27949 [0,2,0,0,0,0|2,0,0]=4 711 B8R1.8 CNCc1cncs1 AB27956 [0,2,0,0,0,0|2,0,0]=4 712 B8R1.8 CNCc1cnsc1 AB74097 [0,2,0,0,0,0|1,0,0]=3 713 B8R1.8 c1c(con1)CCN AB28074 [0,2,0,0,0,0|1,0,0]=3 714 B8R1.8 c1c(con1)CCO AB22774 [0,2,0,0,0,0|1,0,0]=3 715 B8R1.8 c1cn(cn1)CCN AB13191 [0,2,0,0,0,0|2,0,0]=4 716 B8R1.8 c1cscc1CC#N PB19846 [0,2,0,0,0,0|2,0,0]=4 717 B8R1.8 c1cscc1CCN PB24618 [0,2,0,0,0,0|2,0,0]=4 718 B8R1.8 c1cscc1CCO PB25903 [0,2,0,0,0,0|2,0,0]=4 719 B8R1.8 c1cscc1CNN PB25191 [0,2,0,0,0,0|2,0,0]=4 720 B8R1.8 c1nncn1CCO AB13932 [0,2,0,0,0,0|1,0,1]=4 721 B8R1.11 C1C=C(C(=N1)C=O)Br PB29916 [0,2,0,0,0,0|2,0,0]=4 722 B8R1.11 C1C=C(C(=N1)C=O)Cl PB23804 [0,2,0,0,0,0|2,0,0]=4 723 B8R1.11 C1C=C(C(=N1)N)C#N AB44098 [0,2,0,0,0,0|1,0,1]=4 724 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,2,0,0,0,0|2,0,0]=4 725 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,2,0,0,0,0|1,0,1]=4 726 B8R1.11 CCC1=C(N=NC1)N AB29672 [0,2,0,0,0,0|0,0,2]=4 727 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,2,0,0,0,0|2,0,0]=4 728 B8R1.11 Cc1c(con1)CN MB06775 [0,2,0,0,0,0|1,0,0]=3 729 B8R1.11 Cc1c(nco1)C=O AB62633 [0,2,0,0,0,0|2,0,0]=4 730 B8R1.11 Cc1c(nco1)CCl AB71571 [0,2,0,0,0,0|2,0,0]=4 731 B8R1.11 Cc1c(nco1)CN AB68727 [0,2,0,0,0,0|2,0,0]=4 732 B8R1.11 Cc1c(ncs1)C#N AB76587 [0,2,0,0,0,0|2,0,0]=4 733 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,2,0,0,0,0|2,0,0]=4 734 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,2,0,0,0,0|2,0,0]=4 735 B8R1.11 Cc1c(ncs1)CO AB44114 [0,2,0,0,0,0|2,0,0]=4 736 B8R1.11 Cc1c(non1)CN AB28419 [0,2,0,0,0,0|2,0,0]=4 737 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,2,0,0,0,0|2,0,0]=4 738 B8R1.11 Cc1c(ocn1)CO MB03682 [0,2,0,0,0,0|2,0,0]=4 739 B8R1.11 Cc1c(scn1)CCl AB43190 [0,2,0,0,0,0|2,0,0]=4 740 B8R1.11 Cc1c(scn1)CN AB43198 [0,2,0,0,0,0|2,0,0]=4 741 B8R1.11 Cn1c(ccn1)CN PB24806 [0,2,0,0,0,0|2,0,0]=4 742 B8R1.11 Cn1c(ccn1)CO PB14601 [0,2,0,0,0,0|2,0,0]=4 743 B8R1.11 Cn1c(cnn1)CCl AB69595 [0,2,0,0,0,0|1,0,1]=4 744 B8R1.11 Cn1c(cnn1)CN AB57111 [0,2,0,0,0,0|1,0,1]=4 745 B8R1.11 Cn1ccnc1C#N PB34281 [0,2,0,0,0,0|2,0,0]=4 746 B8R1.11 Cn1ccnc1C=O PB12922 [0,2,0,0,0,0|2,0,0]=4 747 B8R1.11 Cn1ccnc1CN MB07317 [0,2,0,0,0,0|2,0,0]=4 748 B8R1.11 Cn1ccnc1CN PB30844 [0,2,0,0,0,0|2,0,0]=4 749 B8R1.11 Cn1cncc1C#N PB24888 [0,2,0,0,0,0|2,0,0]=4 750 B8R1.11 Cn1cncc1C=O PB21631 [0,2,0,0,0,0|2,0,0]=4 751 B8R1.11 Cn1cncc1CCl AB49658 [0,2,0,0,0,0|2,0,0]=4 752 B8R1.11 Cn1cncc1CN PB24886 [0,2,0,0,0,0|2,0,0]=4 753 B8R1.11 Cn1cncc1CO PB17276 [0,2,0,0,0,0|2,0,0]=4 754 B8R1.11 Cn1cnnc1C=O AB57353 [0,2,0,0,0,0|1,0,1]=4 755 B8R1.11 Cn1cnnc1CCl AB69765 [0,2,0,0,0,0|1,0,1]=4 756 B8R1.11 Cn1cnnc1CN AB53790 [0,2,0,0,0,0|1,0,1]=4 757 B8R1.11 Cn1cnnc1CO AB69764 [0,2,0,0,0,0|1,0,1]=4 758 B8R1.11 Cn1cnnc1SC AB20821 [0,2,0,0,0,0|1,0,1]=4 759 B8R1.11 c1csc(c1CBr)Br PB14291 [0,2,0,0,0,0|2,0,0]=4 760 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,2,0,0,0,0|1,0,0]=3 761 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,2,0,0,0,0|1,0,0]=3 762 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,2,0,0,0,0|1,0,0]=3 763 B8R1.18 Cc1c(nn(n1)C)Br MB14575 [0,2,0,0,0,0|1,0,0]=3 764 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,2,0,0,0,0|2,0,0]=4 765 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,2,0,0,0,0|2,0,0]=4 766 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,2,0,0,0,0|2,0,0]=4 767 B8R1.18 Cc1cn(c(=N)s1)N AB44741 [0,2,0,0,0,0|2,0,0]=4 768 B8R1.18 Cc1cn(c(n1)Br)C AB26588 [0,2,0,0,0,0|2,0,0]=4 769 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,2,0,0,0,0|2,0,0]=4 770 B8R1.18 Cn1cc(nc1Br)Br AB26596 [0,2,0,0,0,0|2,0,0]=4 771 B8R1.50 CC1C(=C(N=N1)N)C AB44284 [0,2,0,0,0,0|0,0,2]=4 772 B8R1.50 CN1C(=O)CNC1=O AB65979 [0,2,0,0,0,0|2,0,0]=4 773 B8R1.50 CN1C(=O)N=NC1=O MB00223 [0,2,0,0,0,0|1,0,1]=4 774 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,2,0,0,0,0|2,0,0]=4 775 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,2,0,0,0,0|2,0,0]=4 776 B8R1.50 Cc1c(cnn1C)Br AB51571 [0,2,0,0,0,0|1,0,0]=3 777 B8R1.50 Cc1c(n(nn1)C)Br AB70602 [0,2,0,0,0,0|1,0,0]=3 778 B8R1.50 Cc1c(nnn1C)Br MB03747 [0,2,0,0,0,0|1,0,1]=4 779 B8R1.50 Cc1cnc(n1C)Br AB26586 [0,2,0,0,0,0|2,0,0]=4 780 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,2,0,0,0,0|0,0,0]=2 781 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,2,0,0,0,0|2,0,0]=4 782 B8R1.50 Cc1nnc(n1C)C AB07353 [0,2,0,0,0,0|1,0,1]=4 783 B8R1.50 Cn1c(cnc1Br)Br AB09505 [0,2,0,0,0,0|2,0,0]=4 784 B8R1.50 Cn1c(cnc1I)I PB10221 [0,2,0,0,0,0|2,0,0]=4 785 B8R1.50 Cn1cnc(c1Br)Br AB07724 [0,2,0,0,0,0|2,0,0]=4 786 B8R1.50 Cn1cnc(c1I)I AB12801 [0,2,0,0,0,0|2,0,0]=4 787 B6R1.1 C1CNCC=C1 PB15670 [0,0,1,1,0,0|1,0,1]=4