0 B7R1.1 C#Cc1nccs1 AB69173 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.1 C1=NC=NC1CBr AB53027 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 C1=NC=NC1CCl AB09871 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 C1=NC=NC1CCl AB43165 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C1=NC=NC1CN AB09180 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 C1=NC=NC1CN MB06927 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 C1=NC=NC1CO PB24669 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 C1C=C(N=N1)CCl AB44943 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 C1C=C(N=N1)CN AB59768 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 C1C=C(N=N1)CN CB11648 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 C1C=C(N=N1)CN PB34098 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 C1C=C(N=N1)CO CB12075 [0,0,0,0,0,0|2,1,1]=4 12 B7R1.1 C1C=C(N=N1)CO PB23601 [0,0,0,0,0,0|2,1,1]=4 13 B7R1.1 C1C=CCC1CBr AB76476 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.1 C1C=CCC1CO PB12789 [0,0,0,0,0,0|1,1,2]=4 15 B7R1.1 C1C=CN=C1C#N PB21690 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.1 C1C=CN=C1C=O AB00388 [0,0,0,0,0,0|1,1,2]=4 17 B7R1.1 C1C=NC(=N1)CN PB21839 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 C1C=NC(=N1)CO AB23143 [0,0,0,0,0,0|2,1,1]=4 19 B7R1.1 C1CC=C(C1)CBr PB30182 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.1 CCC1=CN=CC1 AB31265 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 CCC1=NN=CC1 AB65715 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 CCn1cncn1 AB31524 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 COc1nccs1 AB09330 [0,0,0,0,0,0|3,1,0]=4 24 B7R1.1 c1[nH]c(nn1)CCl AB48521 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 c1[nH]c(nn1)CN AB53782 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.1 c1[nH]nc(n1)CN AB25050 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 c1c(con1)CN AB28201 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.1 c1c(con1)CN PB34298 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.1 c1c(con1)CO PB14463 [0,0,0,0,0,0|3,1,0]=4 30 B7R1.1 c1c(csn1)CCl AB74096 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.1 c1c(csn1)CN AB62615 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 c1c(nco1)C#N PB10483 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 c1c(nco1)C=O PB23292 [0,0,0,0,0,0|2,1,1]=4 34 B7R1.1 c1c(nco1)CCl AB71585 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.1 c1c(nco1)CN PB29323 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 c1c(nco1)CO PB29559 [0,0,0,0,0,0|2,1,0]=3 37 B7R1.1 c1c(ncs1)C=O AB06592 [0,0,0,0,0,0|2,1,1]=4 38 B7R1.1 c1c(ncs1)CCl AB10919 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 c1c(ncs1)CN AB27866 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 c1c(ncs1)CN PB21996 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 c1c(ncs1)CO AB20478 [0,0,0,0,0,0|2,1,0]=3 42 B7R1.1 c1c(ocn1)C#N AB19309 [0,0,0,0,0,0|2,0,1]=3 43 B7R1.1 c1c(ocn1)C=O AB11283 [0,0,0,0,0,0|1,1,1]=3 44 B7R1.1 c1c(ocn1)CCl AB42450 [0,0,0,0,0,0|2,0,0]=2 45 B7R1.1 c1c(ocn1)CN AB30442 [0,0,0,0,0,0|2,0,0]=2 46 B7R1.1 c1c(ocn1)CO PB32681 [0,0,0,0,0,0|1,1,0]=2 47 B7R1.1 c1c(scn1)C=O AB11293 [0,0,0,0,0,0|1,2,1]=4 48 B7R1.1 c1c(scn1)CCl AB64977 [0,0,0,0,0,0|2,1,0]=3 49 B7R1.1 c1c(scn1)CN AB27929 [0,0,0,0,0,0|2,1,0]=3 50 B7R1.1 c1c(scn1)CN PB32316 [0,0,0,0,0,0|2,1,0]=3 51 B7R1.1 c1c(scn1)CO AB20492 [0,0,0,0,0,0|1,2,0]=3 52 B7R1.1 c1cc(oc1)C#N AB00309 [0,0,0,0,0,0|1,0,1]=2 53 B7R1.1 c1cc(oc1)CCl MB06568 [0,0,0,0,0,0|1,0,0]=1 54 B7R1.1 c1cc(sc1)CN PB17027 [0,0,0,0,0,0|1,1,0]=2 55 B7R1.1 c1cc(sc1)CO PB10001 [0,0,0,0,0,0|0,2,0]=2 56 B7R1.1 c1cnoc1CN AB27950 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.1 c1cnoc1CN AB27954 [0,0,0,0,0,0|2,0,0]=2 58 B7R1.1 c1cnoc1CO AB28102 [0,0,0,0,0,0|1,1,0]=2 59 B7R1.1 c1cnsc1C=O AB32448 [0,0,0,0,0,0|1,2,1]=4 60 B7R1.1 c1cnsc1CCl AB70841 [0,0,0,0,0,0|2,1,0]=3 61 B7R1.1 c1cnsc1CN AB70840 [0,0,0,0,0,0|2,1,0]=3 62 B7R1.1 c1coc(n1)C=O AB14413 [0,0,0,0,0,0|1,1,1]=3 63 B7R1.1 c1coc(n1)CCl AB19278 [0,0,0,0,0,0|2,0,0]=2 64 B7R1.1 c1coc(n1)CN AB19275 [0,0,0,0,0,0|2,0,0]=2 65 B7R1.1 c1coc(n1)CN AB28202 [0,0,0,0,0,0|2,0,0]=2 66 B7R1.1 c1coc(n1)CO PB27948 [0,0,0,0,0,0|1,1,0]=2 67 B7R1.1 c1conc1C#N PB32775 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.1 c1conc1C=O PB26237 [0,0,0,0,0,0|2,1,1]=4 69 B7R1.1 c1conc1CCl MB04274 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.1 c1conc1CN PB24935 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.1 c1conc1CO PB15902 [0,0,0,0,0,0|2,1,0]=3 72 B7R1.1 c1csc(n1)C#N PB31375 [0,0,0,0,0,0|2,1,1]=4 73 B7R1.1 c1csc(n1)C=O PB12109 [0,0,0,0,0,0|1,2,1]=4 74 B7R1.1 c1csc(n1)CCl AB42463 [0,0,0,0,0,0|2,1,0]=3 75 B7R1.1 c1csc(n1)CN MB03193 [0,0,0,0,0,0|2,1,0]=3 76 B7R1.1 c1csc(n1)CN PB20005 [0,0,0,0,0,0|2,1,0]=3 77 B7R1.1 c1cscc1C#N PB27442 [0,0,0,0,0,0|3,0,1]=4 78 B7R1.1 c1cscc1C=O PB14065 [0,0,0,0,0,0|2,1,1]=4 79 B7R1.1 c1cscc1CN AB13999 [0,0,0,0,0,0|3,0,0]=3 80 B7R1.1 c1cscc1CN PB12237 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.1 c1cscc1CO PB10036 [0,0,0,0,0,0|2,1,0]=3 82 B7R1.1 c1csnc1CN PB23687 [0,0,0,0,0,0|3,0,0]=3 83 B7R1.1 c1nnc(o1)CCl AB08293 [0,0,0,0,0,0|3,0,0]=3 84 B7R1.1 c1nnc(o1)CN AB25336 [0,0,0,0,0,0|3,0,0]=3 85 B7R1.1 c1nnc(s1)CN PB21876 [0,0,0,0,0,0|3,1,0]=4 86 B7R1.1 c1nnc(s1)CO PB21867 [0,0,0,0,0,0|2,2,0]=4 87 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,0,0|2,1,0]=4 88 B6R1.2 C1C=NC(=N1)S AB00386 [1,0,0,0,0,0|2,0,1]=4 89 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,0,0,0|0,0,2]=3 90 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,0,0|1,0,1]=3 93 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,0,0|2,0,0]=3 94 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,0,0|2,0,0]=3 95 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,0,0|3,0,0]=4 97 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,0,0|2,0,0]=3 101 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,0,0|2,0,0]=3 102 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,0,0|2,1,0]=4 103 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,0,0|1,0,0]=2 104 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,0,0|1,1,0]=3 105 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,0,0|2,0,0]=3 107 B6R1.2 c1coc(n1)Br AB53255 [1,0,0,0,0,0|2,0,0]=3 108 B6R1.2 c1coc(n1)I PB15201 [1,0,0,0,0,0|2,0,0]=3 109 B6R1.2 c1coc(n1)N MB04324 [1,0,0,0,0,0|2,0,0]=3 110 B6R1.2 c1conc1N PB33787 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 c1conc1O MB20248 [1,0,0,0,0,0|2,1,0]=4 112 B6R1.2 c1csc(n1)Br AB00399 [1,0,0,0,0,0|2,1,0]=4 113 B6R1.2 c1csc(n1)Cl CB10295 [1,0,0,0,0,0|2,1,0]=4 114 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,0,0|1,2,0]=4 115 B6R1.2 c1cscc1N MB09694 [1,0,0,0,0,0|3,0,0]=4 116 B6R1.2 c1cscc1N PB23357 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.1 C(c1nc(no1)Cl)Cl AB76283 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 CCc1nnc(o1)N PB21808 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CCn1cc(cn1)Br AB43826 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CCn1cc(cn1)N PB34103 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,1,0,0,0,0|2,1,0]=4 126 B8R1.1 Cc1cc(no1)CN AB06189 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.1 Cc1cc(oc1)CN PB24200 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.1 Cc1cc(on1)C=O CB11269 [0,1,0,0,0,0|1,1,1]=4 129 B8R1.1 Cc1cc(on1)CCl AB42093 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 Cc1cc(on1)CN AB28053 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,1,0,0,0,0|1,1,0]=3 132 B8R1.1 Cc1cc(sc1)CN AB25763 [0,1,0,0,0,0|1,1,0]=3 133 B8R1.1 Cc1ccc(s1)C#N PB12235 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,1,0,0,0,0|0,2,1]=4 135 B8R1.1 Cc1ccc(s1)CCl AB50993 [0,1,0,0,0,0|1,1,0]=3 136 B8R1.1 Cc1ccc(s1)CN AB07827 [0,1,0,0,0,0|1,1,0]=3 137 B8R1.1 Cc1cnc(o1)CO AB63479 [0,1,0,0,0,0|1,1,0]=3 138 B8R1.1 Cc1cnc(o1)NC AB65971 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.1 Cc1cnc(s1)CCl AB43206 [0,1,0,0,0,0|2,1,0]=4 140 B8R1.1 Cc1cnc(s1)CN AB43201 [0,1,0,0,0,0|2,1,0]=4 141 B8R1.1 Cc1coc(n1)C=O PB28183 [0,1,0,0,0,0|1,1,1]=4 142 B8R1.1 Cc1coc(n1)CCl AB70149 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.1 Cc1coc(n1)CN AB70147 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.1 Cc1coc(n1)NC AB65967 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 Cc1csc(n1)CCl AB43168 [0,1,0,0,0,0|2,1,0]=4 146 B8R1.1 Cc1csc(n1)CN AB59755 [0,1,0,0,0,0|2,1,0]=4 147 B8R1.1 Cc1csc(n1)CO AB44110 [0,1,0,0,0,0|1,2,0]=4 148 B8R1.1 Cc1nc(co1)CCl AB45871 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 Cc1nc(co1)CN AB54740 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.1 Cc1nc(co1)CO AB48508 [0,1,0,0,0,0|2,1,0]=4 151 B8R1.1 Cc1nc(cs1)CCl AB02129 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.1 Cc1nc(cs1)CN AB23320 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 Cc1nc(on1)CCl AB45279 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 Cc1nc(on1)CN AB57218 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.1 Cc1nc(on1)CO AB44080 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,1,0,0,0,0|1,1,1]=4 157 B8R1.1 Cc1ncc(o1)CCl AB70153 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.1 Cc1ncc(o1)CN AB64071 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.1 Cc1nnc(o1)CCl AB25410 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.1 Cc1nnc(o1)CN AB28132 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.1 Cc1nnc(o1)CN AB28474 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.1 Cn1cc(nc1)CCl AB60095 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.1 Cn1cc(nc1)CN PB10356 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.1 Cn1cc(nc1)CO PB13038 [0,1,0,0,0,0|2,1,0]=4 165 B8R1.1 Cn1ccc(c1)CN AB48514 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,0,0,0|2,1,0]=4 167 B8R1.1 Cn1ccc(n1)CBr AB27867 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 Cn1ccc(n1)CN PB29254 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,0,0,0|2,1,0]=4 170 B8R1.1 c1c(csc1Br)CN PB32960 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.1 c1c(csc1C#N)Br PB27427 [0,1,0,0,0,0|1,1,1]=4 172 B8R1.1 c1c(csc1C#N)Cl PB13775 [0,1,0,0,0,0|1,1,1]=4 173 B8R1.1 c1c(csc1C=O)Br PB24526 [0,1,0,0,0,0|0,2,1]=4 174 B8R1.1 c1c(csc1C=O)Cl PB20572 [0,1,0,0,0,0|0,2,1]=4 175 B8R1.1 c1c(csc1CN)Br PB27838 [0,1,0,0,0,0|1,1,0]=3 176 B8R1.1 c1c(csc1CN)Cl PB16734 [0,1,0,0,0,0|1,1,0]=3 177 B8R1.1 c1c(csc1CO)Br PB12803 [0,1,0,0,0,0|0,2,0]=3 178 B8R1.1 c1c(csc1CO)Cl PB24317 [0,1,0,0,0,0|0,2,0]=3 179 B8R1.1 c1c(csc1Cl)CN PB15278 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.1 c1c(csc1Cl)CO PB13604 [0,1,0,0,0,0|2,1,0]=4 181 B8R1.1 c1c(nc(o1)Cl)CBr AB43619 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.1 c1c(nc(o1)Cl)CCl AB71583 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.1 c1c(nc(o1)Cl)CO PB31033 [0,1,0,0,0,0|2,1,0]=4 185 B8R1.1 c1c(nc(s1)Br)CCl AB50547 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.1 c1c(nc(s1)N)CCl AB01560 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 c1c(nc(s1)N)CCl PB33908 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.1 c1c(onc1Br)C=O AB52798 [0,1,0,0,0,0|1,1,1]=4 189 B8R1.1 c1c(onc1Br)CCl AB26702 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.1 c1c(onc1Br)CN AB11464 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.1 c1c(onc1O)CN MB00477 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [0,1,0,0,0,0|2,1,0]=4 193 B8R1.1 c1c(sc(n1)Br)CN AB49802 [0,1,0,0,0,0|2,1,0]=4 194 B8R1.1 c1c(sc(n1)Br)CO AB20494 [0,1,0,0,0,0|1,2,0]=4 195 B8R1.1 c1c(sc(n1)CN)Br PB39018 [0,1,0,0,0,0|2,1,0]=4 196 B8R1.1 c1c(sc(n1)CN)Cl PB37009 [0,1,0,0,0,0|2,1,0]=4 197 B8R1.1 c1c(sc(n1)CO)Br PB24473 [0,1,0,0,0,0|1,2,0]=4 198 B8R1.1 c1c(sc(n1)CO)Cl PB36635 [0,1,0,0,0,0|1,2,0]=4 199 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [0,1,0,0,0,0|2,1,0]=4 200 B8R1.1 c1c(sc(n1)N)CO AB23150 [0,1,0,0,0,0|1,2,0]=4 201 B8R1.1 c1cc(sc1C#N)Br PB23415 [0,1,0,0,0,0|1,1,1]=4 202 B8R1.1 c1cc(sc1C#N)Cl PB17611 [0,1,0,0,0,0|1,1,1]=4 203 B8R1.1 c1cc(sc1C#N)F PB20534 [0,1,0,0,0,0|1,1,1]=4 204 B8R1.1 c1cc(sc1C=O)Br PB32069 [0,1,0,0,0,0|0,2,1]=4 205 B8R1.1 c1cc(sc1C=O)Cl PB17085 [0,1,0,0,0,0|0,2,1]=4 206 B8R1.1 c1cc(sc1CCl)Cl AB00990 [0,1,0,0,0,0|1,1,0]=3 207 B8R1.1 c1cc(sc1CN)Br PB24892 [0,1,0,0,0,0|1,1,0]=3 208 B8R1.1 c1cc(sc1CN)Cl PB22134 [0,1,0,0,0,0|1,1,0]=3 209 B8R1.1 c1cc(sc1CN)F PB33422 [0,1,0,0,0,0|1,1,0]=3 210 B8R1.1 c1cc(sc1CO)Br PB23435 [0,1,0,0,0,0|0,2,0]=3 211 B8R1.1 c1cc(sc1CO)Cl PB23436 [0,1,0,0,0,0|0,2,0]=3 212 B8R1.1 c1cc(sc1CO)F PB31763 [0,1,0,0,0,0|0,2,0]=3 213 B8R1.7 B(c1ccc[se]1)(O)O AB08878 [0,1,0,0,0,0|1,2,0]=4 214 B8R1.7 B(c1ccco1)(O)O AB07247 [0,1,0,0,0,0|1,1,0]=3 215 B8R1.7 B(c1cccs1)(O)O AB04002 [0,1,0,0,0,0|1,2,0]=4 216 B8R1.7 CC(=O)c1ncco1 AB42105 [0,1,0,0,0,0|1,1,1]=4 217 B8R1.7 CC(c1ccno1)N AB27932 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.7 CC(c1ccoc1)N AB27902 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.7 CC(c1ccoc1)N AB66830 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.7 CC(c1cscn1)N AB27900 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.7 CC(c1nccs1)N AB12719 [0,1,0,0,0,0|2,1,0]=4 222 B8R1.7 C[C@@H](c1nccs1)N AB66719 [0,1,0,0,0,0|2,1,0]=4 223 B8R1.7 C[C@H](c1nccs1)N AB68275 [0,1,0,0,0,0|2,1,0]=4 224 B8R1.7 c1c(ocn1)C(=O)N AB19298 [0,1,0,0,0,0|1,1,1]=4 225 B8R1.7 c1c(ocn1)C(=O)O AB19293 [0,1,0,0,0,0|1,1,1]=4 226 B8R1.7 c1c(ocn1)C(=S)N AB19301 [0,1,0,0,0,0|1,0,2]=4 227 B8R1.7 c1cc(oc1)C(=N)N AB07706 [0,1,0,0,0,0|1,0,1]=3 228 B8R1.7 c1coc(n1)C(=O)N AB19289 [0,1,0,0,0,0|1,1,1]=4 229 B8R1.7 c1coc(n1)C(=O)O AB19305 [0,1,0,0,0,0|1,1,1]=4 230 B8R1.7 c1coc(n1)C(=S)N AB19285 [0,1,0,0,0,0|1,0,2]=4 231 B8R1.7 c1coc(n1)C(Cl)Cl AB21330 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.8 CNCc1cccs1 AB13997 [0,1,0,0,0,0|1,1,0]=3 233 B8R1.8 CNCc1ccno1 AB27949 [0,1,0,0,0,0|2,0,0]=3 234 B8R1.8 CNCc1ccon1 AB27911 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.8 CNCc1ccon1 AB27912 [0,1,0,0,0,0|3,0,0]=4 236 B8R1.8 CNCc1cncs1 AB27956 [0,1,0,0,0,0|2,1,0]=4 237 B8R1.8 CNCc1cocn1 AB63386 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.8 CNCc1cscn1 AB27945 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.8 CNCc1cscn1 AB27947 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.8 CNCc1nccs1 AB12715 [0,1,0,0,0,0|2,1,0]=4 241 B8R1.8 COCc1[nH]ccn1 PB20902 [0,1,0,0,0,0|2,1,0]=4 242 B8R1.8 c1c(ncs1)CCN AB45423 [0,1,0,0,0,0|3,0,0]=4 243 B8R1.8 c1cc(oc1)N=C=O AB53758 [0,1,0,0,0,0|0,1,1]=3 244 B8R1.8 c1cc(sc1)CCN PB12982 [0,1,0,0,0,0|1,1,0]=3 245 B8R1.8 c1cc(sc1)CCO PB32074 [0,1,0,0,0,0|0,2,0]=3 246 B8R1.8 c1cc(sc1)CNN PB12479 [0,1,0,0,0,0|1,1,0]=3 247 B8R1.8 c1ccn(c1)CCBr MB00850 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.8 c1cnn(c1)CCN AB15836 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.8 c1coc(n1)CC=O AB57661 [0,1,0,0,0,0|1,1,0]=3 250 B8R1.8 c1coc(n1)N=C=O AB74260 [0,1,0,0,0,0|1,1,1]=4 251 B8R1.8 c1csc(n1)CC#N PB29400 [0,1,0,0,0,0|2,1,0]=4 252 B8R1.8 c1csc(n1)CC=O AB57662 [0,1,0,0,0,0|1,2,0]=4 253 B8R1.8 c1csc(n1)CCN AB28436 [0,1,0,0,0,0|2,1,0]=4 254 B8R1.8 c1csc(n1)CCN AB43209 [0,1,0,0,0,0|2,1,0]=4 255 B8R1.8 c1cscc1CC#N PB19846 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.8 c1cscc1CCN PB24618 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.8 c1cscc1CCO PB25903 [0,1,0,0,0,0|2,1,0]=4 258 B8R1.8 c1cscc1CNN PB25191 [0,1,0,0,0,0|3,0,0]=4 259 B8R1.8 c1nnc(o1)CCN AB57621 [0,1,0,0,0,0|3,0,0]=4 260 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.11 Cc1c(nco1)CCl AB71571 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.11 Cc1c(nco1)CN AB68727 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,0,0,0|2,1,0]=4 266 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,0,0,0|1,1,0]=3 268 B8R1.11 Cc1c(scn1)CCl AB43190 [0,1,0,0,0,0|2,1,0]=4 269 B8R1.11 Cc1c(scn1)CN AB43198 [0,1,0,0,0,0|2,1,0]=4 270 B8R1.11 Cn1c(ccn1)CN PB24806 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,0,0,0|2,1,0]=4 272 B8R1.11 Cn1cccc1C#N AB12660 [0,1,0,0,0,0|2,0,1]=4 273 B8R1.11 Cn1ccnc1CN MB07317 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.11 Cn1ccnc1CN PB30844 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.11 Cn1cncc1CCl AB49658 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.11 Cn1cncc1CN PB24886 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.11 Cn1cncc1CO PB17276 [0,1,0,0,0,0|2,1,0]=4 278 B8R1.11 c1cc(n(c1)N)C#N PB33171 [0,1,0,0,0,0|2,0,1]=4 279 B8R1.11 c1coc(c1Br)C=O AB31934 [0,1,0,0,0,0|0,1,1]=3 280 B8R1.11 c1csc(c1Br)C#N PB20896 [0,1,0,0,0,0|1,1,1]=4 281 B8R1.11 c1csc(c1Br)C=O PB25976 [0,1,0,0,0,0|0,2,1]=4 282 B8R1.11 c1csc(c1Br)CN PB34113 [0,1,0,0,0,0|1,1,0]=3 283 B8R1.11 c1csc(c1Br)CO PB27714 [0,1,0,0,0,0|0,2,0]=3 284 B8R1.11 c1csc(c1CBr)Br PB14291 [0,1,0,0,0,0|3,0,0]=4 285 B8R1.11 c1csc(c1Cl)C=O PB32269 [0,1,0,0,0,0|0,2,1]=4 286 B8R1.11 c1csc(c1Cl)CN PB11803 [0,1,0,0,0,0|1,1,0]=3 287 B8R1.11 c1csc(c1Cl)CO PB23440 [0,1,0,0,0,0|0,2,0]=3 288 B8R1.11 c1csc(c1N)C#N AB03684 [0,1,0,0,0,0|1,1,1]=4 289 B8R1.2 C#Cc1ccccn1 PB17077 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.2 C#Cc1cccnc1 PB29186 [0,0,0,0,0,1|2,0,1]=4 291 B8R1.2 C#Cc1cccnn1 PB34819 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.2 C#Cc1ccncc1 PB29291 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.2 C#Cc1ccncn1 AB69106 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.2 C#Cc1cnccn1 PB18058 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.2 C#Cc1ncccn1 AB61370 [0,0,0,0,0,1|2,0,1]=4 296 B8R1.2 CNc1cccnc1 AB09114 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.2 CNc1ccncn1 AB60623 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.2 CNc1ncccn1 AB05135 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.2 COc1cccnc1 AB06864 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.2 COc1cccnn1 AB05130 [0,0,0,0,0,1|3,0,0]=4 301 B8R1.2 c1c(cncn1)CCl PB31962 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.2 c1c(cncn1)CCl PB34530 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.2 c1c(cncn1)CN PB26277 [0,0,0,0,0,1|3,0,0]=4 304 B8R1.2 c1c(cncn1)CO PB18631 [0,0,0,0,0,1|2,1,0]=4 305 B8R1.2 c1cc(cnc1)C=O AB00744 [0,0,0,0,0,1|1,1,1]=4 306 B8R1.2 c1cc(cnc1)CCl AB01984 [0,0,0,0,0,1|2,0,0]=3 307 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,0,0,0,1|2,0,0]=3 308 B8R1.2 c1cc(cnc1)NN AB42924 [0,0,0,0,0,1|3,0,0]=4 309 B8R1.2 c1cc(cnc1)NN PB18886 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.2 c1cc(nnc1)C#N PB19049 [0,0,0,0,0,1|2,0,1]=4 311 B8R1.2 c1cc(nnc1)C=O PB20119 [0,0,0,0,0,1|1,1,1]=4 312 B8R1.2 c1cc(nnc1)CCl PB28814 [0,0,0,0,0,1|2,0,0]=3 313 B8R1.2 c1cc(nnc1)CN PB29341 [0,0,0,0,0,1|2,0,0]=3 314 B8R1.2 c1cc(nnc1)CO PB30818 [0,0,0,0,0,1|1,1,0]=3 315 B8R1.2 c1ccnc(c1)C=O AB00680 [0,0,0,0,0,1|1,1,1]=4 316 B8R1.2 c1ccnc(c1)CBr MB02148 [0,0,0,0,0,1|2,0,0]=3 317 B8R1.2 c1ccnc(c1)CCl AB22495 [0,0,0,0,0,1|2,0,0]=3 318 B8R1.2 c1ccnc(c1)CN AB00731 [0,0,0,0,0,1|2,0,0]=3 319 B8R1.2 c1cnc(cn1)C#N AB02102 [0,0,0,0,0,1|2,0,1]=4 320 B8R1.2 c1cnc(cn1)C=O PB19982 [0,0,0,0,0,1|1,1,1]=4 321 B8R1.2 c1cnc(cn1)CCl PB20483 [0,0,0,0,0,1|2,0,0]=3 322 B8R1.2 c1cnc(cn1)CN PB14180 [0,0,0,0,0,1|2,0,0]=3 323 B8R1.2 c1cnc(cn1)CO PB21779 [0,0,0,0,0,1|1,1,0]=3 324 B8R1.2 c1cnc(cn1)NN PB12798 [0,0,0,0,0,1|3,0,0]=4 325 B8R1.2 c1cnc(nc1)C#N PB27459 [0,0,0,0,0,1|2,0,1]=4 326 B8R1.2 c1cnc(nc1)C=O PB34235 [0,0,0,0,0,1|1,1,1]=4 327 B8R1.2 c1cnc(nc1)CCl PB20403 [0,0,0,0,0,1|2,0,0]=3 328 B8R1.2 c1cnc(nc1)CN CB11589 [0,0,0,0,0,1|2,0,0]=3 329 B8R1.2 c1cnc(nc1)CN PB23443 [0,0,0,0,0,1|2,0,0]=3 330 B8R1.2 c1cnc(nc1)CO PB12410 [0,0,0,0,0,1|1,1,0]=3 331 B8R1.2 c1cnc(nc1)NN PB10192 [0,0,0,0,0,1|3,0,0]=4 332 B8R1.2 c1cnccc1C=O AB00754 [0,0,0,0,0,1|1,1,1]=4 333 B8R1.2 c1cnccc1CCl AB15539 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.2 c1cnccc1CN AB00767 [0,0,0,0,0,1|2,0,0]=3 335 B8R1.2 c1cnccc1NN PB27392 [0,0,0,0,0,1|3,0,0]=4 336 B8R1.2 c1cnccc1ON AB31585 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.2 c1cncnc1C=O AB16150 [0,0,0,0,0,1|1,1,1]=4 338 B8R1.2 c1cncnc1CCl AB58895 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.2 c1cncnc1CN PB10439 [0,0,0,0,0,1|2,0,0]=3 340 B8R1.2 c1cncnc1CO PB12296 [0,0,0,0,0,1|1,1,0]=3 341 B8R1.2 c1cnncc1CN PB31361 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.2 c1cnncc1CO PB26178 [0,0,0,0,0,1|2,1,0]=4 343 B8R1.2 c1ncnc(n1)CCl AB73492 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.2 c1ncnc(n1)CN AB60787 [0,0,0,0,0,1|3,0,0]=4 345 B5R1.1 c1cocn1 PB17048 [2,0,0,0,0,0|1,0,0]=3 346 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [1,1,0,0,0,0|2,0,0]=4 348 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [1,1,0,0,0,0|2,0,0]=4 349 B7R1.2 Cc1[nH]cc(n1)N AB60590 [1,1,0,0,0,0|2,0,0]=4 350 B7R1.2 Cc1cc(cs1)Br AB20690 [1,1,0,0,0,0|0,1,0]=3 351 B7R1.2 Cc1cc(no1)N PB28932 [1,1,0,0,0,0|1,0,0]=3 352 B7R1.2 Cc1cc(on1)N MB00134 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 Cc1cc(sc1)C CB10250 [1,1,0,0,0,0|0,1,0]=3 354 B7R1.2 Cc1ccc(o1)Br AB64979 [1,1,0,0,0,0|0,0,0]=2 355 B7R1.2 Cc1ccn(n1)C PB27396 [1,1,0,0,0,0|2,0,0]=4 356 B7R1.2 Cc1cnc(o1)Br AB71573 [1,1,0,0,0,0|1,0,0]=3 357 B7R1.2 Cc1cnc(o1)C AB72158 [1,1,0,0,0,0|1,0,0]=3 358 B7R1.2 Cc1cnc(o1)Cl AB53091 [1,1,0,0,0,0|1,0,0]=3 359 B7R1.2 Cc1cnc(o1)N AB52683 [1,1,0,0,0,0|1,0,0]=3 360 B7R1.2 Cc1cnc(o1)O AB53086 [1,1,0,0,0,0|1,0,0]=3 361 B7R1.2 Cc1cnc(s1)Br AB45716 [1,1,0,0,0,0|1,1,0]=4 362 B7R1.2 Cc1cnc(s1)Cl AB13892 [1,1,0,0,0,0|1,1,0]=4 363 B7R1.2 Cc1cnc(s1)N AB03001 [1,1,0,0,0,0|1,1,0]=4 364 B7R1.2 Cc1cnc(s1)O AB53102 [1,1,0,0,0,0|1,1,0]=4 365 B7R1.2 Cc1coc(n1)Br AB68303 [1,1,0,0,0,0|2,0,0]=4 366 B7R1.2 Cc1coc(n1)Cl AB68302 [1,1,0,0,0,0|2,0,0]=4 367 B7R1.2 Cc1coc(n1)N PB17112 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.2 Cc1csc(n1)Br PB26224 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.2 Cc1csc(n1)N AB00403 [1,1,0,0,0,0|2,0,0]=4 370 B7R1.2 Cc1nc(co1)N MB11373 [1,1,0,0,0,0|1,0,0]=3 371 B7R1.2 Cc1nc(cs1)Br AB23819 [1,1,0,0,0,0|1,1,0]=4 372 B7R1.2 Cc1nc(no1)Cl AB76625 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.2 Cc1nc(no1)N AB44303 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.2 Cc1nc(on1)C AB44073 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.2 Cc1ncc(o1)N MB11377 [1,1,0,0,0,0|1,0,0]=3 376 B7R1.2 Cc1ncc(s1)Br AB54339 [1,1,0,0,0,0|1,1,0]=4 377 B7R1.2 Cc1nnc(o1)N PB23353 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.2 Cn1cc(cn1)Br PB34028 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.2 Cn1cc(cn1)F AB68792 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.2 Cn1cc(cn1)N PB29344 [1,1,0,0,0,0|2,0,0]=4 381 B7R1.2 Cn1ccc(c1)Br AB63663 [1,1,0,0,0,0|2,0,0]=4 382 B7R1.2 Cn1ccc(n1)Br PB19136 [1,1,0,0,0,0|2,0,0]=4 383 B7R1.2 Cn1ccc(n1)I PB26365 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.2 Cn1ccc(n1)N PB12171 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.2 c1c(csc1Cl)N PB15475 [1,1,0,0,0,0|1,1,0]=4 386 B7R1.4 CC1=C(C=NC1)C PB27606 [1,1,0,0,0,0|2,0,0]=4 387 B7R1.4 Cc1c(cco1)N AB71442 [1,1,0,0,0,0|0,0,0]=2 388 B7R1.4 Cc1c(cno1)N MB10128 [1,1,0,0,0,0|1,0,0]=3 389 B7R1.4 Cc1c(con1)N MB11367 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.4 Cc1c(nco1)N MB11380 [1,1,0,0,0,0|1,0,0]=3 391 B7R1.4 Cc1c(ocn1)C AB63543 [1,1,0,0,0,0|1,0,0]=3 392 B7R1.4 Cc1c(ocn1)N MB11381 [1,1,0,0,0,0|2,0,0]=4 393 B7R1.4 Cc1ccsc1Br PB25943 [1,1,0,0,0,0|1,1,0]=4 394 B7R1.4 Cc1cnoc1N MB11360 [1,1,0,0,0,0|2,0,0]=4 395 B7R1.4 Cc1nccn1N AB44383 [1,1,0,0,0,0|2,0,0]=4 396 B7R1.4 Cn1c(ccn1)N PB33809 [1,1,0,0,0,0|2,0,0]=4 397 B7R1.4 c1coc(c1N)Br AB71394 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,0,0,1|2,0,0]=4 399 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.1 CCc1cnc(cn1)Br AB64001 [0,1,0,0,0,1|2,0,0]=4 402 B9R1.1 CCc1cnc(cn1)Cl AB73111 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.1 CCc1cnc(cn1)N AB60527 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.1 CCc1ncc(cn1)N PB12017 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.1 Cc1ccc(nn1)CN PB19500 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.1 Cc1ccc(nn1)CO AB44109 [0,1,0,0,0,1|1,1,0]=4 411 B9R1.1 Cc1cnc(cn1)CCl PB10823 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.1 Cc1cnc(cn1)CN PB33936 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.1 Cc1cnc(nc1)CCl PB19771 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.1 Cc1cnc(nc1)CCl PB31488 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.1 Cc1cnc(nc1)CN PB22419 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.1 Cc1cnc(nc1)CO PB23808 [0,1,0,0,0,1|1,1,0]=4 417 B9R1.1 c1c(cnc(n1)CCl)Br PB13284 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.1 c1c(cnc(n1)CCl)Cl PB20469 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.1 c1c(cnc(n1)CCl)F PB11064 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.1 c1c(cnc(n1)CN)Br PB19414 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.1 c1c(cnc(n1)CN)Cl PB32874 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.1 c1c(cnc(n1)CN)F PB31702 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.1 c1c(cnc(n1)CO)Br PB16639 [0,1,0,0,0,1|1,1,0]=4 424 B9R1.1 c1c(cnc(n1)CO)Cl PB28152 [0,1,0,0,0,1|1,1,0]=4 425 B9R1.1 c1c(cnc(n1)CO)F PB28593 [0,1,0,0,0,1|1,1,0]=4 426 B9R1.1 c1c(ncc(n1)Br)CO MB14059 [0,1,0,0,0,1|1,1,0]=4 427 B9R1.1 c1c(ncc(n1)Cl)CCl AB60493 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.1 c1c(ncc(n1)Cl)CN AB62419 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.1 c1c(ncc(n1)Cl)CO PB20569 [0,1,0,0,0,1|1,1,0]=4 430 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.1 c1cc(ccc1CI)O MB06957 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.1 c1cc(ccc1CN)O AB11678 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,0,0,1|1,1,0]=4 437 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,0,0,1|1,1,0]=4 438 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.1 c1cc(ncc1CN)F PB19133 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,1,0,0,0,1|1,1,0]=4 448 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,1,0,0,0,1|1,1,0]=4 449 B9R1.1 c1cc(ncc1CO)F PB14327 [0,1,0,0,0,1|1,1,0]=4 450 B9R1.1 c1cc(ncc1CO)N PB26211 [0,1,0,0,0,1|1,1,0]=4 451 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,0,0,1|1,1,0]=4 454 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,0,0,1|1,1,0]=4 457 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,0,0,1|1,1,0]=4 459 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.1 c1cc(nnc1CCl)Cl PB13303 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.1 c1cc(nnc1CN)Cl AB61132 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.1 c1cc(nnc1CO)Cl PB17910 [0,1,0,0,0,1|1,1,0]=4 463 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,1,0,0,0,1|1,1,0]=4 466 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 CCc1cc(ncn1)Br MB09510 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.2 CCc1cc(ncn1)Cl AB51253 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 CCc1cc(ncn1)N AB54955 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 CCc1cc(ncn1)O AB54953 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,1|1,1,0]=4 481 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,1,0,0,0,1|1,1,0]=4 482 B9R1.2 Cc1cc(nnc1)CN PB37868 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,1,0,0,0,1|2,0,0]=4 489 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,0,0,1|1,1,0]=4 490 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.2 Cc1cncc(n1)CN AB72296 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.2 Cc1nccc(n1)CN AB43194 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,1|1,1,0]=4 498 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,1|1,1,0]=4 504 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,1|1,1,0]=4 506 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,1|1,1,0]=4 508 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,1,0,0,0,1|1,1,0]=4 511 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,1,0,0,0,1|1,1,0]=4 514 B9R1.2 c1c(ncnc1Cl)CCl AB58944 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 c1c(ncnc1Cl)CO PB11446 [0,1,0,0,0,1|1,1,0]=4 516 B9R1.2 c1c(ncnc1N)CN PB30390 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.2 c1c(ncnc1O)CCl AB59093 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.2 c1cc(c[n+](c1)[O-])CCl AB59951 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,1|1,1,0]=4 525 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,1|1,1,0]=4 528 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,1|1,1,0]=4 531 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,1|1,1,0]=4 532 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,1|1,1,0]=4 535 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.2 c1cnc(cc1CN)F AB63132 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 c1cnc(cc1CN)F AB63135 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.2 c1cnc(cc1CN)N AB23468 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,1,0,0,0,1|1,1,0]=4 545 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,1,0,0,0,1|1,1,0]=4 546 B9R1.2 c1cnc(cc1CO)N PB33706 [0,1,0,0,0,1|1,1,0]=4 547 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,1|1,1,0]=4 551 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.2 c1cnc(nc1CN)Cl AB58851 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.2 c1cnc(nc1CN)O PB23029 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.2 c1cnc(nc1Cl)CN AB05129 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,1,0,0,0,1|1,1,0]=4 560 B9R1.2 c1cnc(nc1N)CCl AB59419 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.2 c1cnc(nc1N)CN AB62661 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.2 c1cnc(nc1O)CN AB63186 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.6 CC(C)c1ccccn1 PB21659 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.6 CC(c1ccccn1)N AB21604 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.6 CC(c1cccnc1)N AB09764 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.6 CC(c1ccncc1)N AB11609 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.6 CC(c1ccncn1)N PB34498 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.6 CC(c1cnccn1)N PB14922 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.6 CC(c1ncccn1)N AB59468 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.6 c1cc(cnc1)C(F)F AB64034 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.8 C#CCc1ccccn1 AB73234 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.8 C#CCc1cccnc1 AB61408 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.8 CNCc1ccccn1 AB10674 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.8 CNCc1cccnc1 AB01384 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.8 CNCc1ccncc1 AB02721 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.8 CNCc1cnccn1 PB18749 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.8 CNCc1ncccn1 PB29842 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.8 c1cc(cnc1)CCN AB04606 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.8 c1cc(cnc1)CNN PB16271 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.8 c1cc(nnc1)CC#N PB25604 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.8 c1cc(nnc1)CCN AB61130 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.8 c1cc(nnc1)CNN PB37174 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,1,0,0,0,1|1,1,0]=4 592 B9R1.8 c1ccnc(c1)CCN AB00732 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.8 c1ccnc(c1)CNN PB19014 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,1,0,0,0,1|1,1,0]=4 596 B9R1.8 c1cnc(cn1)CCN AB22666 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.8 c1cnc(cn1)CNN PB20222 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.8 c1cnc(nc1)CC#N PB12692 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.8 c1cnc(nc1)CC=O AB57641 [0,1,0,0,0,1|1,1,0]=4 600 B9R1.8 c1cnc(nc1)CCN AB55156 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.8 c1cnc(nc1)CNN PB21406 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.8 c1cnccc1CCN AB01702 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.8 c1cnccc1CNN PB10342 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.8 c1cncnc1CC#N PB22811 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.8 c1cncnc1CC=O AB57648 [0,1,0,0,0,1|1,1,0]=4 606 B9R1.8 c1cncnc1CCN PB14818 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.15 CCc1ccncc1O MB12325 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,1|1,1,0]=4 618 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.15 Cc1c(nccn1)CN PB38635 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.15 Cc1c(nccn1)CO PB22269 [0,1,0,0,0,1|1,1,0]=4 621 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,1|1,1,0]=4 624 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,1|1,1,0]=4 627 B9R1.15 Cc1ccnnc1CN PB36913 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,0,0,1|1,1,0]=4 631 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,1|1,1,0]=4 635 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,1|1,1,0]=4 647 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,1|1,1,0]=4 648 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,1|1,1,0]=4 649 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,1|1,1,0]=4 650 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,1|1,1,0]=4 652 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,1|1,1,0]=4 656 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,1|1,1,0]=4 657 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 c1cnc(c(n1)CN)N AB53146 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,1,0,0,0,1|1,1,0]=4 664 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,1,0,0,0,1|2,0,0]=4 668 B9R1.15 c1cncc(c1CCl)F AB67665 [0,1,0,0,0,1|2,0,0]=4 669 B9R1.15 c1cncc(c1CN)Br AB63141 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,1,0,0,0,1|2,0,0]=4 671 B9R1.15 c1cncc(c1CN)F AB63136 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 c1cncc(c1CN)N AB49287 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.15 c1cncc(c1CN)O MB09249 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.15 c1cncc(c1CO)Br PB19192 [0,1,0,0,0,1|1,1,0]=4 675 B9R1.15 c1cncc(c1CO)F PB29849 [0,1,0,0,0,1|1,1,0]=4 676 B9R1.15 c1cncc(c1CO)N AB25787 [0,1,0,0,0,1|1,1,0]=4 677 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,0,0,1|2,0,0]=4 678 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,0,0,1|2,0,0]=4 679 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,0,0,1|1,1,0]=4 683 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.7 Cc1coc(n1)CNC AB70150 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,2,0,0,0,0|1,1,0]=4 686 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,2,0,0,0,0|1,1,0]=4 687 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,2,0,0,0,0|1,1,0]=4 688 B9R1.21 c1c(csc1CCl)C#N AB72604 [0,2,0,0,0,0|1,1,0]=4 689 B9R1.21 c1c(csc1CN)C#N AB45514 [0,2,0,0,0,0|1,1,0]=4 690 B9R1.21 c1c(nc(o1)CCl)CCl AB71577 [0,2,0,0,0,0|2,0,0]=4 691 B9R1.21 c1c(nc(o1)CO)CCl AB71580 [0,2,0,0,0,0|1,1,0]=4 692 B9R1.21 c1cc(oc1C=O)C#N AB44041 [0,2,0,0,0,0|0,1,1]=4 693 B9R1.21 c1cc(oc1CO)C#N AB44038 [0,2,0,0,0,0|0,1,0]=3 694 B9R1.21 c1cc(sc1CBr)C#N AB44189 [0,2,0,0,0,0|1,1,0]=4 695 B9R1.21 c1cc(sc1CCl)C#N AB72609 [0,2,0,0,0,0|1,1,0]=4 696 B9R1.21 c1cc(sc1CN)C#N AB45511 [0,2,0,0,0,0|1,1,0]=4 697 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [0,2,0,0,0,0|1,1,0]=4 698 B9R1.22 Cc1c(oc(n1)Cl)CCl AB71592 [0,2,0,0,0,0|2,0,0]=4 699 B9R1.22 Cc1c(oc(n1)Cl)CN AB72279 [0,2,0,0,0,0|2,0,0]=4 700 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,2,0,0,0,0|1,1,0]=4 701 B9R1.35 B(c1cc(co1)C)(O)O AB08042 [0,2,0,0,0,0|1,1,0]=4 702 B9R1.35 B(c1cc(co1)Cl)(O)O AB73959 [0,2,0,0,0,0|1,1,0]=4 703 B9R1.35 B(c1cc(co1)F)(O)O AB73962 [0,2,0,0,0,0|1,1,0]=4 704 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [0,2,0,0,0,0|1,1,0]=4 705 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,2,0,0,0,0|0,1,1]=4 706 B9R1.35 CC(C)c1cnc(o1)Cl AB68315 [0,2,0,0,0,0|2,0,0]=4 707 B9R1.35 CC(C)c1cnc(o1)N AB64703 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [0,2,0,0,0,0|0,1,1]=4 709 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [0,2,0,0,0,0|0,1,1]=4 710 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,2,0,0,0,0|0,1,1]=4 711 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,2,0,0,0,0|0,1,1]=4 712 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,2,0,0,0,0|0,2,0]=4 713 B9R1.41 B(c1c(cco1)F)(O)O AB73970 [0,2,0,0,0,0|1,1,0]=4 714 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,2,0,0,0,0|0,1,1]=4 715 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,2,0,0,0,0|0,1,1]=4 716 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,2,0,0,0,0|0,1,1]=4 717 B9R1.12 CNCCc1cccs1 AB18501 [0,2,0,0,0,0|1,1,0]=4 718 B9R1.13 B(Cc1ccco1)(O)O AB10323 [0,2,0,0,0,0|0,1,0]=3 719 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [0,2,0,0,0,0|0,2,0]=4 720 B9R1.33 CNCc1cccn1C AB22465 [0,2,0,0,0,0|2,0,0]=4 721 B9R1.14 c1csc(c1C#N)CBr AB85279 [0,2,0,0,0,0|1,1,0]=4 722 B7R1.3 c1cc(nnc1)O PB32258 [0,0,1,1,0,0|2,0,0]=4 723 B9R2.3 c1c2c(on1)CNC2 AB76720 [0,1,0,1,0,0|2,0,0]=4