0 B7R1.2 CC1=NC(=NC1)Br AB26590 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 CC1=NC(=NC1)Cl AB53096 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 CC1=NC(=NC1)N AB27175 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 CC1=NC(=NC1)N AB27178 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.2 CC1=NC(=O)N=C1 AB05017 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 CC1=NN=C(C1)Br AB63797 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=NN=C(C1)Cl PB14164 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 CC1=NN=C(C1)N PB33812 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.2 Cc1[nH]c(nn1)S AB06112 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.2 Cc1[nH]cc(n1)N AB60590 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.2 Cc1[nH]nc(n1)C PB23188 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 Cc1cc(cs1)Br AB20690 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 Cc1cc(no1)N PB28932 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.2 Cc1cc(on1)N MB00134 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.2 Cc1cc(sc1)C CB10250 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.2 Cc1ccc(o1)Br AB64979 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.2 Cc1ccn(n1)C PB27396 [0,0,0,0,0,0|1,0,1]=2 19 B7R1.2 Cc1cnc(o1)Br AB71573 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.2 Cc1cnc(o1)C AB72158 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 Cc1cnc(o1)Cl AB53091 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.2 Cc1cnc(o1)N AB52683 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.2 Cc1cnc(o1)O AB53086 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.2 Cc1cnc(s1)Br AB45716 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.2 Cc1cnc(s1)Cl AB13892 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.2 Cc1cnc(s1)N AB03001 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.2 Cc1cnc(s1)O AB53102 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.2 Cc1coc(n1)Br AB68303 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.2 Cc1coc(n1)Cl AB68302 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.2 Cc1coc(n1)N PB17112 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.2 Cc1csc(n1)Br PB26224 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.2 Cc1csc(n1)N AB00403 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.2 Cc1nc(co1)N MB11373 [0,0,0,0,0,0|2,0,1]=3 34 B7R1.2 Cc1nc(cs1)Br AB23819 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.2 Cc1nc(no1)Cl AB76625 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 Cc1nc(no1)N AB44303 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 Cc1nc(ns1)Cl AB76996 [0,0,0,0,0,0|3,0,1]=4 38 B7R1.2 Cc1nc(on1)C AB44073 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.2 Cc1nc(on1)Cl AB44075 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.2 Cc1nc(on1)N AB44302 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 Cc1nc(on1)O AB50309 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 Cc1nc(sn1)Cl MB05736 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 Cc1ncc(o1)N MB11377 [0,0,0,0,0,0|3,0,0]=3 44 B7R1.2 Cc1ncc(s1)Br AB54339 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.2 Cc1nnc(o1)N PB23353 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.2 Cn1cc(cn1)Br PB34028 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.2 Cn1cc(cn1)F AB68792 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.2 Cn1cc(cn1)N PB29344 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.2 Cn1cc(nc1)I PB23238 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.2 Cn1cc(nc1)N AB11896 [0,0,0,0,0,0|4,0,0]=4 51 B7R1.2 Cn1ccc(c1)Br AB63663 [0,0,0,0,0,0|3,0,0]=3 52 B7R1.2 Cn1ccc(n1)Br PB19136 [0,0,0,0,0,0|2,0,1]=3 53 B7R1.2 Cn1ccc(n1)I PB26365 [0,0,0,0,0,0|2,0,1]=3 54 B7R1.2 Cn1ccc(n1)N PB12171 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.2 c1c(csc1Cl)N PB15475 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.2 c1c(nc(s1)Br)Br AB08804 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.2 c1c(nc(s1)Br)Cl MB14083 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 c1c(nc(s1)Br)F MB14090 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.2 c1c(nc(s1)Br)N MB09052 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.2 c1c(nc(s1)Cl)Br MB07558 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.2 c1c(nc(s1)F)Br MB14192 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.2 c1c(nc(s1)N)Br AB30368 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.2 c1c(sc(n1)Br)Cl PB17692 [0,0,0,0,0,0|4,0,0]=4 64 B7R1.2 c1c(sc(n1)Br)F PB13624 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.2 c1c(sc(n1)Br)N AB53265 [0,0,0,0,0,0|4,0,0]=4 66 B7R1.2 c1c(sc(n1)Cl)Br MB14237 [0,0,0,0,0,0|4,0,0]=4 67 B7R1.2 c1c(sc(n1)Cl)Cl PB16960 [0,0,0,0,0,0|4,0,0]=4 68 B7R1.2 c1c(sc(n1)F)Br MB14245 [0,0,0,0,0,0|4,0,0]=4 69 B7R1.2 c1c(sc(n1)N)Cl PB27400 [0,0,0,0,0,0|4,0,0]=4 70 B7R1.2 c1c(sc(n1)N)F PB24037 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.2 c1c(sc(n1)N)N AB53268 [0,0,0,0,0,0|4,0,0]=4 72 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,0,0,0|1,0,2]=4 74 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,0,0|2,0,0]=3 75 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,0,0|0,0,2]=3 77 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,0,0|1,0,1]=3 78 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,0,0|1,0,1]=3 79 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,0,0|1,0,1]=3 80 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,0,0|2,0,1]=4 81 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,0,0|2,0,1]=4 83 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,0,0|2,0,1]=4 84 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,0,0|2,0,0]=3 89 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 c1coc(n1)Br AB53255 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 c1coc(n1)I PB15201 [1,0,0,0,0,0|2,0,1]=4 93 B6R1.2 c1coc(n1)N MB04324 [1,0,0,0,0,0|2,0,1]=4 94 B6R1.2 c1conc1N PB33787 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 c1conc1O MB20248 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.2 c1csc(n1)Br AB00399 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 c1csc(n1)Cl CB10295 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,0,0|2,0,1]=4 99 B6R1.2 c1cscc1N MB09694 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 c1cscc1N PB23357 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.1 CC1=CN=C(C1)C=O AB43814 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.1 CC1=NC(=CC1)C=O AB43978 [0,1,0,0,0,0|0,0,3]=4 103 B8R1.1 CC1=NC(=NC1)CN AB28116 [0,1,0,0,0,0|1,0,2]=4 104 B8R1.1 CC1=NN=C(C1)CN AB51378 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 CNc1nc(cs1)Br MB14222 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.1 CNc1ncc(s1)Br MB14261 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 COc1cnc(s1)N AB09307 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 COc1nc(cs1)Br AB42965 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.1 COc1ncc(s1)Br MB06715 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [0,1,0,0,0,0|1,0,1]=3 113 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.1 Cc1[nH]c(nn1)C=O AB57354 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.1 Cc1[nH]c(nn1)CN AB46091 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.1 Cc1cc(no1)CN AB06189 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 Cc1cc(oc1)CN PB24200 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.1 Cc1cc(on1)CCl AB42093 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 Cc1cc(on1)CN AB28053 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 Cc1cc(sc1)CCl AB72607 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 Cc1cc(sc1)CN AB25763 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.1 Cc1ccc(s1)C#N PB12235 [0,1,0,0,0,0|1,0,1]=3 125 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,1,0,0,0,0|1,0,1]=3 126 B8R1.1 Cc1ccc(s1)CCl AB50993 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.1 Cc1ccc(s1)CN AB07827 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.1 Cc1cnc(o1)CO AB63479 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.1 Cc1cnc(o1)NC AB65971 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 Cc1cnc(s1)C=O AB43202 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.1 Cc1cnc(s1)CCl AB43206 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.1 Cc1cnc(s1)CN AB43201 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.1 Cc1coc(n1)C=O PB28183 [0,1,0,0,0,0|1,0,2]=4 134 B8R1.1 Cc1coc(n1)CCl AB70149 [0,1,0,0,0,0|1,0,1]=3 135 B8R1.1 Cc1coc(n1)CN AB70147 [0,1,0,0,0,0|1,0,1]=3 136 B8R1.1 Cc1coc(n1)NC AB65967 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.1 Cc1csc(n1)C#N PB10548 [0,1,0,0,0,0|1,0,2]=4 138 B8R1.1 Cc1csc(n1)C=O PB14084 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.1 Cc1csc(n1)CCl AB43168 [0,1,0,0,0,0|1,0,1]=3 140 B8R1.1 Cc1csc(n1)CN AB59755 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.1 Cc1csc(n1)CO AB44110 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.1 Cc1csc(n1)NC AB10516 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.1 Cc1nc(co1)C=O AB13940 [0,1,0,0,0,0|1,0,2]=4 144 B8R1.1 Cc1nc(co1)CCl AB45871 [0,1,0,0,0,0|1,0,1]=3 145 B8R1.1 Cc1nc(co1)CN AB54740 [0,1,0,0,0,0|1,0,1]=3 146 B8R1.1 Cc1nc(co1)CO AB48508 [0,1,0,0,0,0|1,0,1]=3 147 B8R1.1 Cc1nc(cs1)C=O AB25415 [0,1,0,0,0,0|1,0,2]=4 148 B8R1.1 Cc1nc(cs1)CCl AB02129 [0,1,0,0,0,0|1,0,1]=3 149 B8R1.1 Cc1nc(cs1)CN AB23320 [0,1,0,0,0,0|1,0,1]=3 150 B8R1.1 Cc1nc(no1)CCl AB09935 [0,1,0,0,0,0|2,0,1]=4 151 B8R1.1 Cc1nc(no1)CO AB43139 [0,1,0,0,0,0|2,0,1]=4 152 B8R1.1 Cc1nc(on1)CCl AB45279 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.1 Cc1nc(on1)CN AB57218 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.1 Cc1nc(on1)CO AB44080 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,1,0,0,0,0|2,0,1]=4 156 B8R1.1 Cc1ncc(o1)CCl AB70153 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.1 Cc1ncc(o1)CN AB64071 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.1 Cc1ncc(s1)C=O CB11336 [0,1,0,0,0,0|2,0,1]=4 159 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 Cc1nnc(s1)CCl AB66821 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.1 Cc1nnc(s1)CN AB62645 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.1 Cn1cc(cn1)CCl AB53748 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 Cn1cc(cn1)CN PB29175 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.1 Cn1cc(cn1)CO PB19942 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.1 Cn1cc(nc1)CCl AB60095 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.1 Cn1cc(nc1)CN PB10356 [0,1,0,0,0,0|3,0,0]=4 169 B8R1.1 Cn1cc(nc1)CO PB13038 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.1 Cn1ccc(c1)CN AB48514 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.1 Cn1ccc(c1)CO AB09760 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.1 Cn1ccc(n1)C#N PB29091 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.1 Cn1ccc(n1)C=O AB14508 [0,1,0,0,0,0|1,0,2]=4 174 B8R1.1 Cn1ccc(n1)CBr AB27867 [0,1,0,0,0,0|1,0,1]=3 175 B8R1.1 Cn1ccc(n1)CN PB29254 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.1 Cn1ccc(n1)CO PB20290 [0,1,0,0,0,0|1,0,1]=3 177 B8R1.1 Cn1cnc(n1)CCl AB28284 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.1 Cn1cnc(n1)CN PB35871 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.1 Cn1cnc(n1)CO PB34812 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.1 c1c(csc1Br)CN PB32960 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.1 c1c(csc1CN)Br PB27838 [0,1,0,0,0,0|3,0,0]=4 182 B8R1.1 c1c(csc1CN)Cl PB16734 [0,1,0,0,0,0|3,0,0]=4 183 B8R1.1 c1c(csc1CO)Br PB12803 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.1 c1c(csc1CO)Cl PB24317 [0,1,0,0,0,0|3,0,0]=4 185 B8R1.1 c1c(csc1Cl)CN PB15278 [0,1,0,0,0,0|3,0,0]=4 186 B8R1.1 c1c(csc1Cl)CO PB13604 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.1 c1c(nc(o1)Cl)CBr AB43619 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.1 c1c(nc(o1)Cl)CCl AB71583 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [0,1,0,0,0,0|2,0,1]=4 190 B8R1.1 c1c(nc(o1)Cl)CO PB31033 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.1 c1c(nc(s1)Br)CCl AB50547 [0,1,0,0,0,0|2,0,1]=4 192 B8R1.1 c1c(nc(s1)N)CCl AB01560 [0,1,0,0,0,0|2,0,1]=4 193 B8R1.1 c1c(nc(s1)N)CCl PB33908 [0,1,0,0,0,0|2,0,1]=4 194 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [0,1,0,0,0,0|3,0,0]=4 195 B8R1.1 c1c(sc(n1)Br)CN AB49802 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.1 c1c(sc(n1)Br)CO AB20494 [0,1,0,0,0,0|3,0,0]=4 197 B8R1.1 c1c(sc(n1)CN)Br PB39018 [0,1,0,0,0,0|3,0,0]=4 198 B8R1.1 c1c(sc(n1)CN)Cl PB37009 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.1 c1c(sc(n1)CO)Br PB24473 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.1 c1c(sc(n1)CO)Cl PB36635 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.1 c1c(sc(n1)N)CO AB23150 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.1 c1cc(sc1C#N)Br PB23415 [0,1,0,0,0,0|2,0,1]=4 204 B8R1.1 c1cc(sc1C#N)Cl PB17611 [0,1,0,0,0,0|2,0,1]=4 205 B8R1.1 c1cc(sc1C#N)F PB20534 [0,1,0,0,0,0|2,0,1]=4 206 B8R1.1 c1cc(sc1C=O)Br PB32069 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.1 c1cc(sc1C=O)Cl PB17085 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.1 c1cc(sc1CCl)Cl AB00990 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.1 c1cc(sc1CN)Br PB24892 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.1 c1cc(sc1CN)Cl PB22134 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.1 c1cc(sc1CN)F PB33422 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.1 c1cc(sc1CO)Br PB23435 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.1 c1cc(sc1CO)Cl PB23436 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.1 c1cc(sc1CO)F PB31763 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.18 CC1=NC(=NC1Cl)C AB58139 [0,1,0,0,0,0|1,0,2]=4 216 B8R1.18 Cc1[nH]c(c(n1)Br)Br AB06612 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.18 Cc1[nH]c(c(n1)I)I AB06210 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,1,0,0,0,0|1,0,1]=3 220 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,1,0,0,0,0|1,0,1]=3 221 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,1,0,0,0,0|1,0,1]=3 222 B8R1.18 Cc1c(nn(n1)C)Br MB14575 [0,1,0,0,0,0|2,0,1]=4 223 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,1,0,0,0,0|1,0,1]=3 225 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,1,0,0,0,0|1,0,1]=3 226 B8R1.18 Cc1cn(c(=N)s1)N AB44741 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.18 Cc1cn(c(n1)Br)C AB26588 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,1,0,0,0,0|2,0,1]=4 229 B8R1.18 Cn1c(cc(n1)Cl)N PB30426 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.50 Cc1cnc(n1C)Br AB26586 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,1,0,0,0,0|2,0,0]=3 235 B8R1.50 Cc1nnc(n1C)C AB07353 [0,1,0,0,0,0|2,0,0]=3 236 B8R1.50 Cn1c(cnc1Br)Br AB09505 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.50 Cn1c(cnc1I)I PB10221 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.1 CCNC(=O)C=C CB10170 [0,0,1,0,0,0|1,0,1]=3 239 B6R0.2 CC(=O)NC(=N)N AB02893 [0,0,1,0,0,0|3,0,0]=4 240 B6R0.4 CC(=O)\C=C\OC AB00959 [0,0,1,0,0,0|2,0,0]=3 241 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,0,0,0,0,1|1,0,0]=2 242 B8R1.3 Cc1ccc(cn1)Br AB06624 [0,0,0,0,0,1|1,0,1]=3 243 B8R1.3 Cc1ccc(cn1)Cl AB17956 [0,0,0,0,0,1|1,0,1]=3 244 B8R1.3 Cc1ccc(cn1)F PB18589 [0,0,0,0,0,1|1,0,1]=3 245 B8R1.3 Cc1ccc(cn1)N PB32227 [0,0,0,0,0,1|1,0,1]=3 246 B8R1.3 Cc1ccc(cn1)O PB30543 [0,0,0,0,0,1|1,0,1]=3 247 B8R1.3 Cc1ccc(nc1)Br PB17145 [0,0,0,0,0,1|1,0,1]=3 248 B8R1.3 Cc1ccc(nc1)Cl AB07104 [0,0,0,0,0,1|1,0,1]=3 249 B8R1.3 Cc1ccc(nc1)F AB01857 [0,0,0,0,0,1|1,0,1]=3 250 B8R1.3 Cc1ccc(nc1)N AB17938 [0,0,0,0,0,1|1,0,1]=3 251 B8R1.3 Cc1ccc(nc1)O AB13138 [0,0,0,0,0,1|1,0,1]=3 252 B8R1.3 Cc1ccc(nn1)Br PB26503 [0,0,0,0,0,1|1,0,1]=3 253 B8R1.3 Cc1ccc(nn1)Cl PB20885 [0,0,0,0,0,1|1,0,1]=3 254 B8R1.3 Cc1ccc(nn1)I PB11607 [0,0,0,0,0,1|1,0,1]=3 255 B8R1.3 Cc1ccc(nn1)N PB33947 [0,0,0,0,0,1|1,0,1]=3 256 B8R1.3 Cc1cnc(cn1)Br PB27954 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.3 Cc1cnc(cn1)Cl AB02272 [0,0,0,0,0,1|2,0,1]=4 258 B8R1.3 Cc1cnc(cn1)N PB32613 [0,0,0,0,0,1|2,0,1]=4 259 B8R1.3 Cc1cnc(nc1)Cl PB25116 [0,0,0,0,0,1|2,0,1]=4 260 B8R1.3 Cc1cnc(nc1)N AB06143 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.3 Cc1ncc(cn1)Br PB18804 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.3 Cc1ncc(cn1)Cl AB56396 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.3 Cc1ncc(cn1)N PB10666 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.3 Cc1ncc(cn1)O AB54467 [0,0,0,0,0,1|2,0,1]=4 265 B8R1.3 c1cc(ncc1Br)Br AB00634 [0,0,0,0,0,1|2,0,1]=4 266 B8R1.3 c1cc(ncc1Br)Cl AB08767 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.3 c1cc(ncc1Br)F PB30707 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.3 c1cc(ncc1Br)N PB30536 [0,0,0,0,0,1|2,0,1]=4 269 B8R1.3 c1cc(ncc1Br)O AB05097 [0,0,0,0,0,1|2,0,1]=4 270 B8R1.3 c1cc(ncc1Br)S AB51097 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.3 c1cc(ncc1Cl)Br AB05069 [0,0,0,0,0,1|2,0,1]=4 272 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [0,0,0,0,0,1|2,0,1]=4 273 B8R1.3 c1cc(ncc1Cl)F AB17577 [0,0,0,0,0,1|2,0,1]=4 274 B8R1.3 c1cc(ncc1Cl)I AB32114 [0,0,0,0,0,1|2,0,1]=4 275 B8R1.3 c1cc(ncc1Cl)N AB00712 [0,0,0,0,0,1|2,0,1]=4 276 B8R1.3 c1cc(ncc1F)Br PB17160 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.3 c1cc(ncc1F)I AB42989 [0,0,0,0,0,1|2,0,1]=4 278 B8R1.3 c1cc(ncc1F)N AB10107 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.3 c1cc(ncc1I)Br PB14333 [0,0,0,0,0,1|2,0,1]=4 280 B8R1.3 c1cc(ncc1I)Cl AB10394 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.3 c1cc(ncc1I)N PB25985 [0,0,0,0,0,1|2,0,1]=4 282 B8R1.3 c1cc(ncc1I)O AB05112 [0,0,0,0,0,1|2,0,1]=4 283 B8R1.3 c1cc(ncc1N)Br PB17224 [0,0,0,0,0,1|2,0,1]=4 284 B8R1.3 c1cc(ncc1N)Cl AB00661 [0,0,0,0,0,1|2,0,1]=4 285 B8R1.3 c1cc(ncc1N)F PB33962 [0,0,0,0,0,1|2,0,1]=4 286 B8R1.3 c1cc(ncc1N)O AB15078 [0,0,0,0,0,1|2,0,1]=4 287 B8R1.3 c1cc(ncc1O)Br PB15771 [0,0,0,0,0,1|2,0,1]=4 288 B8R1.3 c1cc(ncc1O)Cl PB32188 [0,0,0,0,0,1|2,0,1]=4 289 B8R1.3 c1cc(ncc1O)F AB08123 [0,0,0,0,0,1|2,0,1]=4 290 B8R1.3 c1cc(ncc1O)I AB50021 [0,0,0,0,0,1|2,0,1]=4 291 B8R1.3 c1cc(ncc1O)N AB15563 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.3 c1cc(nnc1Br)Br PB10150 [0,0,0,0,0,1|2,0,1]=4 293 B8R1.3 c1cc(nnc1Cl)I PB14577 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.3 c1cc(nnc1N)Br PB12750 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.3 c1cc(nnc1N)Cl PB30569 [0,0,0,0,0,1|2,0,1]=4 296 B8R1.3 c1cc(nnc1N)I PB29756 [0,0,0,0,0,1|2,0,1]=4 297 B8R1.3 c1cc(nnc1O)Cl PB29050 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,0,0,0,0,1|2,0,0]=3 300 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,0,0,0,0,1|2,0,0]=3 301 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,0,0,0,0,1|2,0,0]=3 302 B8R1.4 Cc1cc(ccn1)F AB17919 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.4 Cc1cc(ccn1)O PB24839 [0,0,0,0,0,1|2,0,0]=3 304 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,0,0,0,0,1|2,0,0]=3 305 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,0,0,0,0,1|2,0,0]=3 306 B8R1.4 Cc1cc(cnc1)F AB13643 [0,0,0,0,0,1|2,0,0]=3 307 B8R1.4 Cc1cc(cnc1)N AB17573 [0,0,0,0,0,1|2,0,0]=3 308 B8R1.4 Cc1cc(cnc1)O MB01362 [0,0,0,0,0,1|2,0,0]=3 309 B8R1.4 Cc1cc(cnn1)N MB11385 [0,0,0,0,0,1|3,0,0]=4 310 B8R1.4 Cc1cc(ncn1)C PB24534 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.4 Cc1cc(ncn1)Cl PB29204 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.4 Cc1cc(ncn1)N PB12118 [0,0,0,0,0,1|3,0,0]=4 313 B8R1.4 Cc1cc(nnc1)Cl PB14716 [0,0,0,0,0,1|3,0,0]=4 314 B8R1.4 Cc1cc(nnc1)N AB61142 [0,0,0,0,0,1|3,0,0]=4 315 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,0,0,0,0,1|1,0,1]=3 316 B8R1.4 Cc1cccc(n1)Br AB01812 [0,0,0,0,0,1|1,0,1]=3 317 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,0,0,0,0,1|1,0,1]=3 318 B8R1.4 Cc1cccc(n1)F AB01860 [0,0,0,0,0,1|1,0,1]=3 319 B8R1.4 Cc1cccc(n1)N AB00717 [0,0,0,0,0,1|1,0,1]=3 320 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,0,0,0,1|1,0,1]=3 321 B8R1.4 Cc1cccc(n1)S AB25230 [0,0,0,0,0,1|1,0,1]=3 322 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,0,0,0,0,1|2,0,0]=3 323 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,0,0,0,0,1|2,0,0]=3 324 B8R1.4 Cc1ccnc(c1)F AB01854 [0,0,0,0,0,1|2,0,0]=3 325 B8R1.4 Cc1ccnc(c1)N AB00703 [0,0,0,0,0,1|2,0,0]=3 326 B8R1.4 Cc1ccnc(c1)O AB03735 [0,0,0,0,0,1|2,0,0]=3 327 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,0,0,0,0,1|1,0,1]=3 328 B8R1.4 Cc1ccnc(n1)N MB00179 [0,0,0,0,0,1|1,0,1]=3 329 B8R1.4 Cc1cncc(n1)Br AB48617 [0,0,0,0,0,1|1,0,1]=3 330 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,0,0,0,0,1|1,0,1]=3 331 B8R1.4 Cc1cncc(n1)N AB43812 [0,0,0,0,0,1|1,0,1]=3 332 B8R1.4 Cc1cnnc(n1)Cl AB85248 [0,0,0,0,0,1|2,0,1]=4 333 B8R1.4 Cc1nc(cnn1)Cl AB66817 [0,0,0,0,0,1|2,0,1]=4 334 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,0,0,0,0,1|1,0,1]=3 335 B8R1.4 Cc1nccc(n1)N AB06587 [0,0,0,0,0,1|1,0,1]=3 336 B8R1.4 c1c(cncc1Br)Br AB01172 [0,0,0,0,0,1|3,0,0]=4 337 B8R1.4 c1c(cncc1Br)Cl AB18001 [0,0,0,0,0,1|3,0,0]=4 338 B8R1.4 c1c(cncc1Br)N PB12251 [0,0,0,0,0,1|3,0,0]=4 339 B8R1.4 c1c(cncc1Br)O PB30658 [0,0,0,0,0,1|3,0,0]=4 340 B8R1.4 c1c(cncc1Cl)Cl AB00743 [0,0,0,0,0,1|3,0,0]=4 341 B8R1.4 c1c(cncc1Cl)F AB21896 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.4 c1c(cncc1Cl)N AB15758 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.4 c1c(cncc1F)F AB14383 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.4 c1c(cncc1F)N AB05123 [0,0,0,0,0,1|3,0,0]=4 345 B8R1.4 c1c(cncc1F)O AB13569 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.4 c1c(cncc1I)Br AB13102 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.4 c1c(cncc1I)Cl AB43784 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.4 c1c(cncc1I)F AB45557 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.4 c1c(cncc1I)I PB19957 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.4 c1c(cncc1I)N AB43802 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.4 c1c(cncc1N)N AB07746 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.4 c1c(cncc1O)N AB17983 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.4 c1c(cncc1O)O MB02073 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [0,0,0,0,0,1|2,0,1]=4 355 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [0,0,0,0,0,1|2,0,1]=4 356 B8R1.4 c1c(nc(cn1)Br)F MB14129 [0,0,0,0,0,1|2,0,1]=4 357 B8R1.4 c1c(nc(cn1)Br)N AB60541 [0,0,0,0,0,1|2,0,1]=4 358 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [0,0,0,0,0,1|2,0,1]=4 359 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [0,0,0,0,0,1|2,0,1]=4 360 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [0,0,0,0,0,1|2,0,1]=4 361 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [0,0,0,0,0,1|2,0,1]=4 362 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,0,0,0,0,1|2,0,1]=4 363 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,0,0,0,0,1|2,0,1]=4 365 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,0,0,0,0,1|2,0,1]=4 366 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,0,0,0,0,1|2,0,1]=4 367 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,0,0,0,0,1|2,0,1]=4 368 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,0,0,0,0,1|2,0,1]=4 369 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,0,0,0,0,1|2,0,1]=4 370 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,0,0,0,0,1|2,0,1]=4 371 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,0,0,0,0,1|2,0,1]=4 372 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,0,0,0,0,1|2,0,1]=4 373 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,0,0,0,0,1|2,0,1]=4 374 B8R1.4 c1cnc(cc1Br)Br PB10210 [0,0,0,0,0,1|3,0,0]=4 375 B8R1.4 c1cnc(cc1Br)Cl AB16617 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.4 c1cnc(cc1Br)F AB17567 [0,0,0,0,0,1|3,0,0]=4 377 B8R1.4 c1cnc(cc1Br)I AB31627 [0,0,0,0,0,1|3,0,0]=4 378 B8R1.4 c1cnc(cc1Br)N PB12936 [0,0,0,0,0,1|3,0,0]=4 379 B8R1.4 c1cnc(cc1Cl)Br PB23373 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.4 c1cnc(cc1Cl)F AB17564 [0,0,0,0,0,1|3,0,0]=4 382 B8R1.4 c1cnc(cc1Cl)N PB32361 [0,0,0,0,0,1|3,0,0]=4 383 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.4 c1cnc(cc1F)Br AB50032 [0,0,0,0,0,1|3,0,0]=4 385 B8R1.4 c1cnc(cc1F)Cl AB17349 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.4 c1cnc(cc1F)F PB26122 [0,0,0,0,0,1|3,0,0]=4 387 B8R1.4 c1cnc(cc1F)N AB50025 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.4 c1cnc(cc1I)Br PB29229 [0,0,0,0,0,1|3,0,0]=4 389 B8R1.4 c1cnc(cc1I)Cl PB17253 [0,0,0,0,0,1|3,0,0]=4 390 B8R1.4 c1cnc(cc1I)F PB12274 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.4 c1cnc(cc1I)N PB10642 [0,0,0,0,0,1|3,0,0]=4 392 B8R1.4 c1cnc(cc1N)Br PB30686 [0,0,0,0,0,1|3,0,0]=4 393 B8R1.4 c1cnc(cc1N)Cl PB24583 [0,0,0,0,0,1|3,0,0]=4 394 B8R1.4 c1cnc(cc1N)F PB21208 [0,0,0,0,0,1|3,0,0]=4 395 B8R1.4 c1cnc(cc1N)O PB15716 [0,0,0,0,0,1|3,0,0]=4 396 B8R1.4 c1cnc(cc1O)Br AB05095 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,0,0,0,0,1|3,0,0]=4 398 B8R1.4 c1cnc(cc1O)F AB17930 [0,0,0,0,0,1|3,0,0]=4 399 B8R1.4 c1cnc(cc1O)I MB26582 [0,0,0,0,0,1|3,0,0]=4 400 B8R1.4 c1cnc(cc1O)N AB17934 [0,0,0,0,0,1|3,0,0]=4 401 B8R1.4 c1cnc(nc1Br)Br PB17395 [0,0,0,0,0,1|2,0,1]=4 402 B8R1.4 c1cnc(nc1Br)F MB14189 [0,0,0,0,0,1|2,0,1]=4 403 B8R1.4 c1cnc(nc1Br)N PB13233 [0,0,0,0,0,1|2,0,1]=4 404 B8R1.4 c1cnc(nc1Cl)Br MB10108 [0,0,0,0,0,1|2,0,1]=4 405 B8R1.4 c1cnc(nc1Cl)Cl AB00576 [0,0,0,0,0,1|2,0,1]=4 406 B8R1.4 c1cnc(nc1Cl)N PB21638 [0,0,0,0,0,1|2,0,1]=4 407 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,0,0,0,0,1|2,0,1]=4 408 B8R1.4 c1cnc(nc1F)Br MB14089 [0,0,0,0,0,1|2,0,1]=4 409 B8R1.4 c1cnc(nc1N)Br MB09311 [0,0,0,0,0,1|2,0,1]=4 410 B8R1.4 c1cnc(nc1N)Cl PB14147 [0,0,0,0,0,1|2,0,1]=4 411 B5R1.1 c1cocn1 PB17048 [2,0,0,0,0,0|1,0,1]=4 412 B7R0.6 CC(=O)\C=C\N(C)C AB03818 [0,1,1,0,0,0|2,0,0]=4 413 B7R1.1 CCC1=CN=CC1 AB31265 [1,1,0,0,0,0|2,0,0]=4 414 B7R1.1 COc1nccs1 AB09330 [1,1,0,0,0,0|1,0,1]=4 415 B7R1.1 c1[nH]c(nn1)CCl AB48521 [1,1,0,0,0,0|2,0,0]=4 416 B7R1.1 c1[nH]c(nn1)CN AB53782 [1,1,0,0,0,0|2,0,0]=4 417 B7R1.1 c1c(nco1)CCl AB71585 [1,1,0,0,0,0|1,0,1]=4 418 B7R1.1 c1c(nco1)CN PB29323 [1,1,0,0,0,0|1,0,1]=4 419 B7R1.1 c1c(nco1)CO PB29559 [1,1,0,0,0,0|1,0,1]=4 420 B7R1.1 c1c(ncs1)CCl AB10919 [1,1,0,0,0,0|1,0,1]=4 421 B7R1.1 c1c(ncs1)CN AB27866 [1,1,0,0,0,0|1,0,1]=4 422 B7R1.1 c1c(ncs1)CN PB21996 [1,1,0,0,0,0|1,0,1]=4 423 B7R1.1 c1c(ncs1)CO AB20478 [1,1,0,0,0,0|1,0,1]=4 424 B7R1.1 c1c(ocn1)CCl AB42450 [1,1,0,0,0,0|2,0,0]=4 425 B7R1.1 c1c(ocn1)CN AB30442 [1,1,0,0,0,0|2,0,0]=4 426 B7R1.1 c1c(ocn1)CO PB32681 [1,1,0,0,0,0|2,0,0]=4 427 B7R1.1 c1c(scn1)CCl AB64977 [1,1,0,0,0,0|2,0,0]=4 428 B7R1.1 c1c(scn1)CN AB27929 [1,1,0,0,0,0|2,0,0]=4 429 B7R1.1 c1c(scn1)CN PB32316 [1,1,0,0,0,0|2,0,0]=4 430 B7R1.1 c1c(scn1)CO AB20492 [1,1,0,0,0,0|2,0,0]=4 431 B7R1.1 c1cc(oc1)C#N AB00309 [1,1,0,0,0,0|1,0,1]=4 432 B7R1.1 c1cc(oc1)CCl MB06568 [1,1,0,0,0,0|1,0,0]=3 433 B7R1.1 c1cc(sc1)CN PB17027 [1,1,0,0,0,0|1,0,0]=3 434 B7R1.1 c1cc(sc1)CO PB10001 [1,1,0,0,0,0|1,0,0]=3 435 B7R1.1 c1cnoc1CN AB27950 [1,1,0,0,0,0|2,0,0]=4 436 B7R1.1 c1cnoc1CN AB27954 [1,1,0,0,0,0|2,0,0]=4 437 B7R1.1 c1cnoc1CO AB28102 [1,1,0,0,0,0|2,0,0]=4 438 B7R1.1 c1cnsc1CCl AB70841 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.1 c1cnsc1CN AB70840 [1,1,0,0,0,0|2,0,0]=4 440 B7R1.1 c1coc(n1)CCl AB19278 [1,1,0,0,0,0|1,0,1]=4 441 B7R1.1 c1coc(n1)CN AB19275 [1,1,0,0,0,0|1,0,1]=4 442 B7R1.1 c1coc(n1)CN AB28202 [1,1,0,0,0,0|1,0,1]=4 443 B7R1.1 c1coc(n1)CO PB27948 [1,1,0,0,0,0|1,0,1]=4 444 B7R1.1 c1conc1CCl MB04274 [1,1,0,0,0,0|1,0,1]=4 445 B7R1.1 c1conc1CN PB24935 [1,1,0,0,0,0|1,0,1]=4 446 B7R1.1 c1conc1CO PB15902 [1,1,0,0,0,0|1,0,1]=4 447 B7R1.1 c1csc(n1)CCl AB42463 [1,1,0,0,0,0|1,0,1]=4 448 B7R1.1 c1csc(n1)CN MB03193 [1,1,0,0,0,0|1,0,1]=4 449 B7R1.1 c1csc(n1)CN PB20005 [1,1,0,0,0,0|1,0,1]=4 450 B7R1.1 c1cscc1CN AB13999 [1,1,0,0,0,0|2,0,0]=4 451 B7R1.1 c1cscc1CN PB12237 [1,1,0,0,0,0|2,0,0]=4 452 B7R1.1 c1cscc1CO PB10036 [1,1,0,0,0,0|2,0,0]=4 453 B7R1.1 c1csnc1CN PB23687 [1,1,0,0,0,0|1,0,1]=4 454 B7R1.4 CC1=C(C=NC1)C PB27606 [1,1,0,0,0,0|2,0,0]=4 455 B7R1.4 Cc1c(cco1)N AB71442 [1,1,0,0,0,0|1,0,0]=3 456 B7R1.4 Cc1c(cno1)N MB10128 [1,1,0,0,0,0|2,0,0]=4 457 B7R1.4 Cc1c(con1)N MB11367 [1,1,0,0,0,0|1,0,1]=4 458 B7R1.4 Cc1c(nco1)N MB11380 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.4 Cc1c(ocn1)C AB63543 [1,1,0,0,0,0|1,0,1]=4 460 B7R1.4 Cc1c(ocn1)N MB11381 [1,1,0,0,0,0|1,0,1]=4 461 B7R1.4 Cc1ccsc1Br PB25943 [1,1,0,0,0,0|2,0,0]=4 462 B7R1.4 Cc1nccn1N AB44383 [1,1,0,0,0,0|1,0,0]=3 463 B7R1.4 Cn1c(ccn1)N PB33809 [1,1,0,0,0,0|1,0,1]=4 464 B7R1.4 Cn1ccnc1Br AB11315 [1,1,0,0,0,0|2,0,0]=4 465 B7R1.4 Cn1ccnc1Cl AB11324 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.4 Cn1ccnc1I PB32223 [1,1,0,0,0,0|2,0,0]=4 467 B7R1.4 Cn1ccnc1N AB59774 [1,1,0,0,0,0|2,0,0]=4 468 B7R1.4 Cn1cncc1Br AB09509 [1,1,0,0,0,0|2,0,0]=4 469 B7R1.4 Cn1cncc1I PB12244 [1,1,0,0,0,0|2,0,0]=4 470 B7R1.4 c1[nH]c(c(n1)Br)Br AB03286 [1,1,0,0,0,0|2,0,0]=4 471 B7R1.4 c1[nH]c(c(n1)I)I AB07820 [1,1,0,0,0,0|2,0,0]=4 472 B7R1.4 c1coc(c1N)Br AB71394 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,0,0,1|1,0,1]=4 474 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,0,0,1|1,0,1]=4 475 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,0,0,1|1,0,1]=4 476 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,1,0,0,0,1|1,0,1]=4 477 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,1,0,0,0,1|1,0,1]=4 478 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,0,0,1|1,0,1]=4 479 B9R1.1 CNc1ccc(nc1)Br MB01005 [0,1,0,0,0,1|1,0,1]=4 480 B9R1.1 CNc1ccc(nc1)Cl AB60605 [0,1,0,0,0,1|1,0,1]=4 481 B9R1.1 COc1c[nH]c(=O)nc1 AB60177 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.1 COc1ccc(cn1)Br AB08771 [0,1,0,0,0,1|1,0,1]=4 483 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,1,0,0,0,1|1,0,1]=4 484 B9R1.1 COc1ccc(cn1)F AB13611 [0,1,0,0,0,1|1,0,1]=4 485 B9R1.1 COc1ccc(cn1)N PB27370 [0,1,0,0,0,1|1,0,1]=4 486 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,0,0,1|1,0,1]=4 487 B9R1.1 COc1ccc(nc1)Br PB22062 [0,1,0,0,0,1|1,0,1]=4 488 B9R1.1 COc1ccc(nc1)Cl AB25956 [0,1,0,0,0,1|1,0,1]=4 489 B9R1.1 COc1ccc(nc1)F AB66773 [0,1,0,0,0,1|1,0,1]=4 490 B9R1.1 COc1ccc(nc1)I AB11726 [0,1,0,0,0,1|1,0,1]=4 491 B9R1.1 COc1ccc(nc1)N PB14487 [0,1,0,0,0,1|1,0,1]=4 492 B9R1.1 COc1ccc(nn1)Cl PB28962 [0,1,0,0,0,1|1,0,1]=4 493 B9R1.1 COc1ccc(nn1)I AB59856 [0,1,0,0,0,1|1,0,1]=4 494 B9R1.1 COc1ccc(nn1)N PB23243 [0,1,0,0,0,1|1,0,1]=4 495 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,1,0,0,0,1|1,0,1]=4 496 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,0,0,1|1,0,1]=4 497 B9R1.1 CSc1ccc(nc1)Br MB03440 [0,1,0,0,0,1|1,0,1]=4 498 B9R1.1 Cc1ccc(cn1)C#N PB30561 [0,1,0,0,0,1|0,0,2]=4 499 B9R1.1 Cc1ccc(cn1)C=C PB17233 [0,1,0,0,0,1|0,0,2]=4 500 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,1,0,0,0,1|0,0,2]=4 501 B9R1.1 Cc1ccc(cn1)CCl AB59938 [0,1,0,0,0,1|0,0,1]=3 502 B9R1.1 Cc1ccc(cn1)CN PB20145 [0,1,0,0,0,1|0,0,1]=3 503 B9R1.1 Cc1ccc(cn1)NN PB15841 [0,1,0,0,0,1|1,0,1]=4 504 B9R1.1 Cc1ccc(cn1)OC AB52739 [0,1,0,0,0,1|0,0,1]=3 505 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,1,0,0,0,1|0,0,2]=4 506 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,0,0,1|0,0,1]=3 507 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,0,0,1|0,0,1]=3 508 B9R1.1 Cc1ccc(nn1)C#N PB21293 [0,1,0,0,0,1|0,0,2]=4 509 B9R1.1 Cc1ccc(nn1)C=O AB44106 [0,1,0,0,0,1|0,0,2]=4 510 B9R1.1 Cc1ccc(nn1)CN PB19500 [0,1,0,0,0,1|0,0,1]=3 511 B9R1.1 Cc1ccc(nn1)CO AB44109 [0,1,0,0,0,1|0,0,1]=3 512 B9R1.1 Cc1ccc(nn1)NN AB02752 [0,1,0,0,0,1|1,0,1]=4 513 B9R1.1 Cc1ccc(nn1)OC AB51434 [0,1,0,0,0,1|0,0,1]=3 514 B9R1.1 Cc1cnc(cn1)CCl PB10823 [0,1,0,0,0,1|1,0,1]=4 515 B9R1.1 Cc1cnc(cn1)CN PB33936 [0,1,0,0,0,1|1,0,1]=4 516 B9R1.1 Cc1cnc(nc1)CCl PB19771 [0,1,0,0,0,1|1,0,1]=4 517 B9R1.1 Cc1cnc(nc1)CCl PB31488 [0,1,0,0,0,1|1,0,1]=4 518 B9R1.1 Cc1cnc(nc1)CN PB22419 [0,1,0,0,0,1|1,0,1]=4 519 B9R1.1 Cc1cnc(nc1)CO PB23808 [0,1,0,0,0,1|1,0,1]=4 520 B9R1.1 Cc1ncc(cn1)CCl PB22329 [0,1,0,0,0,1|1,0,1]=4 521 B9R1.1 Cc1ncc(cn1)CN PB14812 [0,1,0,0,0,1|1,0,1]=4 522 B9R1.1 Cc1ncc(cn1)CO PB17615 [0,1,0,0,0,1|1,0,1]=4 523 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.1 c1cc(ccc1CI)O MB06957 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.1 c1cc(ccc1CN)O AB11678 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,0,0,1|1,0,1]=4 528 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,0,0,1|1,0,1]=4 529 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,0,0,1|1,0,1]=4 530 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,0,0,1|1,0,1]=4 531 B9R1.1 c1cc(ncc1CBr)F PB28287 [0,1,0,0,0,1|1,0,1]=4 532 B9R1.1 c1cc(ncc1CCl)Br AB59933 [0,1,0,0,0,1|1,0,1]=4 533 B9R1.1 c1cc(ncc1CCl)Cl AB03513 [0,1,0,0,0,1|1,0,1]=4 534 B9R1.1 c1cc(ncc1CCl)Cl AB59950 [0,1,0,0,0,1|1,0,1]=4 535 B9R1.1 c1cc(ncc1CCl)F PB13291 [0,1,0,0,0,1|1,0,1]=4 536 B9R1.1 c1cc(ncc1CCl)N AB59930 [0,1,0,0,0,1|1,0,1]=4 537 B9R1.1 c1cc(ncc1CN)Br AB27793 [0,1,0,0,0,1|1,0,1]=4 538 B9R1.1 c1cc(ncc1CN)Cl PB17175 [0,1,0,0,0,1|1,0,1]=4 539 B9R1.1 c1cc(ncc1CN)F PB19133 [0,1,0,0,0,1|1,0,1]=4 540 B9R1.1 c1cc(ncc1CO)Br PB14409 [0,1,0,0,0,1|1,0,1]=4 541 B9R1.1 c1cc(ncc1CO)Cl PB17199 [0,1,0,0,0,1|1,0,1]=4 542 B9R1.1 c1cc(ncc1CO)F PB14327 [0,1,0,0,0,1|1,0,1]=4 543 B9R1.1 c1cc(ncc1CO)N PB26211 [0,1,0,0,0,1|1,0,1]=4 544 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,0,0,1|1,0,1]=4 545 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,0,0,1|1,0,1]=4 546 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,0,0,1|1,0,1]=4 547 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,0,0,1|1,0,1]=4 548 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,0,0,1|1,0,1]=4 549 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,0,0,1|1,0,1]=4 550 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,0,0,1|1,0,1]=4 551 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,0,0,1|1,0,1]=4 552 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,0,0,1|1,0,1]=4 553 B9R1.1 c1cc(nnc1CCl)Cl PB13303 [0,1,0,0,0,1|1,0,1]=4 554 B9R1.1 c1cc(nnc1CN)Cl AB61132 [0,1,0,0,0,1|1,0,1]=4 555 B9R1.1 c1cc(nnc1CO)Cl PB17910 [0,1,0,0,0,1|1,0,1]=4 556 B9R1.69 Cc1c(cc(cn1)Br)Br PB30636 [0,1,0,0,0,1|1,0,1]=4 557 B9R1.69 Cc1c(cc(cn1)Br)Cl PB25103 [0,1,0,0,0,1|1,0,1]=4 558 B9R1.69 Cc1c(cc(cn1)Br)F AB65410 [0,1,0,0,0,1|1,0,1]=4 559 B9R1.69 Cc1c(cc(cn1)Br)N PB18946 [0,1,0,0,0,1|1,0,1]=4 560 B9R1.69 Cc1c(cc(cn1)Cl)N PB22604 [0,1,0,0,0,1|1,0,1]=4 561 B9R1.69 Cc1c(cc(cn1)F)N AB73550 [0,1,0,0,0,1|1,0,1]=4 562 B9R1.69 Cc1c(cc(cn1)N)Br PB15954 [0,1,0,0,0,1|1,0,1]=4 563 B9R1.69 Cc1c(cc(cn1)N)Cl AB62794 [0,1,0,0,0,1|1,0,1]=4 564 B9R1.69 Cc1c(cc(cn1)N)F AB73533 [0,1,0,0,0,1|1,0,1]=4 565 B9R1.69 Cc1c(cc(cn1)O)Cl AB71195 [0,1,0,0,0,1|1,0,1]=4 566 B9R1.69 Cc1c(cc(cn1)O)F AB71314 [0,1,0,0,0,1|1,0,1]=4 567 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,1,0,0,0,1|1,0,1]=4 568 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,1,0,0,0,1|1,0,1]=4 569 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,1,0,0,0,1|1,0,1]=4 570 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,1,0,0,0,1|0,0,1]=3 571 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,1,0,0,0,1|0,0,1]=3 572 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,1,0,0,0,1|0,0,1]=3 573 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,1,0,0,0,1|1,0,1]=4 574 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,1,0,0,0,1|1,0,1]=4 575 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,1,0,0,0,1|1,0,1]=4 576 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,1,0,0,0,1|1,0,1]=4 577 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,1,0,0,0,1|1,0,1]=4 578 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,1,0,0,0,1|1,0,1]=4 579 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,1,0,0,0,1|1,0,1]=4 580 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,1,0,0,0,1|1,0,1]=4 581 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,1,0,0,0,1|1,0,1]=4 582 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,1,0,0,0,1|1,0,1]=4 583 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,1,0,0,0,1|1,0,1]=4 584 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,1,0,0,0,1|1,0,1]=4 585 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,1,0,0,0,1|1,0,1]=4 586 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,1,0,0,0,1|1,0,1]=4 587 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,1,0,0,0,1|1,0,1]=4 588 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,1,0,0,0,1|0,0,1]=3 589 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,1,0,0,0,1|0,0,1]=3 590 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,1,0,0,0,1|0,0,1]=3 591 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,1,0,0,0,1|1,0,1]=4 592 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,1,0,0,0,1|1,0,1]=4 593 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,1,0,0,0,1|1,0,1]=4 594 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,1,0,0,0,1|1,0,1]=4 595 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,1,0,0,0,1|1,0,1]=4 596 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,1,0,0,0,1|1,0,1]=4 597 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,1,0,0,0,1|1,0,1]=4 598 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,1,0,0,0,1|1,0,1]=4 599 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,1,0,0,0,1|1,0,1]=4 600 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,1,0,0,0,1|1,0,1]=4 601 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,1,0,0,0,1|1,0,1]=4 602 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,1,0,0,0,1|1,0,1]=4 603 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,1,0,0,0,1|1,0,1]=4 604 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,1,0,0,0,1|1,0,1]=4 605 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,1,0,0,0,1|1,0,1]=4 606 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,1,0,0,0,1|1,0,1]=4 607 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,1,0,0,0,1|1,0,1]=4 608 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,1,0,0,0,1|1,0,1]=4 609 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,1,0,0,0,1|1,0,1]=4 610 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,1,0,0,0,1|1,0,1]=4 611 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,1,0,0,0,1|1,0,1]=4 612 B9R1.69 Cc1cc(ncc1C)Br AB64948 [0,1,0,0,0,1|1,0,1]=4 613 B9R1.69 Cc1cc(ncc1C)N AB49139 [0,1,0,0,0,1|1,0,1]=4 614 B9R1.69 Cc1cc(ncc1C)O AB71287 [0,1,0,0,0,1|1,0,1]=4 615 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,1,0,0,0,1|1,0,1]=4 616 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,1,0,0,0,1|1,0,1]=4 617 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [0,1,0,0,0,1|1,0,1]=4 618 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,0,0,1|1,0,1]=4 626 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,0,0,1|1,0,1]=4 627 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,0,0,1|1,0,1]=4 628 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,0,0,1|1,0,1]=4 629 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,0,0,1|1,0,1]=4 630 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,0,0,1|1,0,1]=4 631 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,0,0,1|1,0,1]=4 632 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,0,0,1|1,0,1]=4 633 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,0,0,1|1,0,1]=4 634 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,0,0,1|1,0,1]=4 635 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,0,0,1|1,0,1]=4 636 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,0,0,1|1,0,1]=4 637 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,0,0,1|1,0,1]=4 638 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.69 Cc1ccc(nc1Br)Br AB16615 [0,1,0,0,0,1|1,0,1]=4 642 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,0,0,1|0,0,1]=3 643 B9R1.69 Cc1ccc(nc1Br)Cl AB62917 [0,1,0,0,0,1|1,0,1]=4 644 B9R1.69 Cc1ccc(nc1Br)F AB71569 [0,1,0,0,0,1|1,0,1]=4 645 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,0,0,1|1,0,1]=4 646 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,0,0,1|1,0,1]=4 647 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,0,0,1|1,0,1]=4 648 B9R1.69 Cc1ccc(nc1Cl)Br AB74690 [0,1,0,0,0,1|1,0,1]=4 649 B9R1.69 Cc1ccc(nc1Cl)N AB70428 [0,1,0,0,0,1|1,0,1]=4 650 B9R1.69 Cc1ccc(nc1Cl)O AB71186 [0,1,0,0,0,1|1,0,1]=4 651 B9R1.69 Cc1ccc(nc1F)Br AB74556 [0,1,0,0,0,1|1,0,1]=4 652 B9R1.69 Cc1ccc(nc1F)N AB83080 [0,1,0,0,0,1|1,0,1]=4 653 B9R1.69 Cc1ccc(nc1F)O AB71306 [0,1,0,0,0,1|1,0,1]=4 654 B9R1.69 Cc1ccc(nc1N)Br AB71668 [0,1,0,0,0,1|1,0,1]=4 655 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,0,0,1|0,0,1]=3 656 B9R1.69 Cc1ccc(nc1N)Cl AB73562 [0,1,0,0,0,1|1,0,1]=4 657 B9R1.69 Cc1ccc(nc1N)F AB82883 [0,1,0,0,0,1|1,0,1]=4 658 B9R1.69 Cc1ccc(nc1N)N AB43423 [0,1,0,0,0,1|1,0,1]=4 659 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,0,0,1|0,0,1]=3 660 B9R1.69 Cc1ccc(nc1O)Cl AB75750 [0,1,0,0,0,1|1,0,1]=4 661 B9R1.69 Cc1ccc(nc1O)F AB82880 [0,1,0,0,0,1|1,0,1]=4 662 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [0,1,0,0,0,1|1,0,1]=4 663 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [0,1,0,0,0,1|1,0,1]=4 664 B9R1.69 Cc1cnc(cc1Br)Cl AB63102 [0,1,0,0,0,1|1,0,1]=4 665 B9R1.69 Cc1cnc(cc1Br)F AB71091 [0,1,0,0,0,1|1,0,1]=4 666 B9R1.69 Cc1cnc(cc1Cl)Br AB63106 [0,1,0,0,0,1|1,0,1]=4 667 B9R1.69 Cc1cnc(cc1Cl)N AB63097 [0,1,0,0,0,1|1,0,1]=4 668 B9R1.69 Cc1cnc(cc1Cl)O AB71200 [0,1,0,0,0,1|1,0,1]=4 669 B9R1.69 Cc1cnc(cc1F)Br AB71082 [0,1,0,0,0,1|1,0,1]=4 670 B9R1.69 Cc1cnc(cc1F)N AB70899 [0,1,0,0,0,1|1,0,1]=4 671 B9R1.69 Cc1cnc(cc1F)O AB71320 [0,1,0,0,0,1|1,0,1]=4 672 B9R1.69 Cc1cnc(cc1N)Br AB63107 [0,1,0,0,0,1|1,0,1]=4 673 B9R1.69 Cc1cnc(cc1N)Cl AB65156 [0,1,0,0,0,1|1,0,1]=4 674 B9R1.69 Cc1cnc(cc1N)F AB82864 [0,1,0,0,0,1|1,0,1]=4 675 B9R1.69 Cc1cnc(cc1O)Cl AB71181 [0,1,0,0,0,1|1,0,1]=4 676 B9R1.69 Cc1cnc(cc1O)F AB71302 [0,1,0,0,0,1|1,0,1]=4 677 B9R1.69 Cc1cnc(nc1Cl)C AB51539 [0,1,0,0,0,1|1,0,1]=4 678 B9R1.69 Cc1cnc(nc1N)C AB54986 [0,1,0,0,0,1|1,0,1]=4 679 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,1,0,0,0,1|1,0,1]=4 680 B9R1.69 Cn1c(=O)ccc(n1)Cl MB02254 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,1,0,0,0,1|2,0,0]=4 682 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,1,0,0,0,1|2,0,0]=4 685 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,1|2,0,0]=4 689 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,1|1,0,1]=4 691 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,0,0,1|1,0,1]=4 692 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [0,1,0,0,0,1|1,0,1]=4 697 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,1|1,0,1]=4 699 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,1|1,0,1]=4 700 B9R1.2 CNc1ccnc(c1)Cl AB60612 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.2 CNc1ccnc(n1)Br MB14143 [0,1,0,0,0,1|1,0,1]=4 702 B9R1.2 CNc1ccnc(n1)Cl AB49666 [0,1,0,0,0,1|1,0,1]=4 703 B9R1.2 CNc1cncc(n1)Cl MB07975 [0,1,0,0,0,1|1,0,1]=4 704 B9R1.2 CNc1nccc(n1)Br MB13471 [0,1,0,0,0,1|1,0,1]=4 705 B9R1.2 CNc1nccc(n1)Cl AB52980 [0,1,0,0,0,1|1,0,1]=4 706 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.2 COc1cc(cnc1)Br PB24634 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.2 COc1cc(cnc1)F AB66777 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.2 COc1cc(cnc1)I AB43793 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.2 COc1cc(cnc1)N PB12653 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.2 COc1cc(cnc1)N PB25488 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,1|1,0,1]=4 720 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,1|1,0,1]=4 721 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,1|1,0,1]=4 722 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,1|1,0,1]=4 723 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,1|1,0,1]=4 724 B9R1.2 COc1ccnc(c1)Br AB23696 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.2 COc1ccnc(c1)Cl AB10868 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.2 COc1ccnc(c1)F AB66367 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.2 COc1ccnc(c1)N AB41933 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.2 COc1ccnc(n1)Br MB07472 [0,1,0,0,0,1|1,0,1]=4 729 B9R1.2 COc1cncc(n1)Cl PB29367 [0,1,0,0,0,1|1,0,1]=4 730 B9R1.2 COc1cncc(n1)N AB54770 [0,1,0,0,0,1|1,0,1]=4 731 B9R1.2 COc1nccc(n1)Br AB54361 [0,1,0,0,0,1|1,0,1]=4 732 B9R1.2 COc1nccc(n1)Cl AB49109 [0,1,0,0,0,1|1,0,1]=4 733 B9R1.2 COc1nccc(n1)N PB29013 [0,1,0,0,0,1|1,0,1]=4 734 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [0,1,0,0,0,1|1,0,0]=3 735 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,1|1,0,1]=4 740 B9R1.2 CSc1ccnc(n1)Br MB14073 [0,1,0,0,0,1|1,0,1]=4 741 B9R1.2 CSc1nccc(n1)Br AB54070 [0,1,0,0,0,1|1,0,1]=4 742 B9R1.2 CSc1nccc(n1)Cl PB10012 [0,1,0,0,0,1|1,0,1]=4 743 B9R1.2 CSc1nccc(n1)I AB08843 [0,1,0,0,0,1|1,0,1]=4 744 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,1,0,0,0,1|1,0,1]=4 745 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,0,0,1|1,0,1]=4 746 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,1|1,0,0]=3 747 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,1|1,0,0]=3 748 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,0,0,1|1,0,1]=4 749 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,1|1,0,0]=3 750 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,1|1,0,0]=3 751 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,1|1,0,0]=3 752 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,0,0,1|1,0,0]=3 753 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,1,0,0,0,1|2,0,0]=4 754 B9R1.2 Cc1cc(nnc1)CN PB37868 [0,1,0,0,0,1|2,0,0]=4 755 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,1|0,0,2]=4 756 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,1|0,0,2]=4 757 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,1|0,0,1]=3 758 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,1|0,0,1]=3 759 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,1|0,0,1]=3 760 B9R1.2 Cc1ccnc(c1)C#C AB66576 [0,1,0,0,0,1|1,0,1]=4 761 B9R1.2 Cc1ccnc(c1)C#N AB03610 [0,1,0,0,0,1|1,0,1]=4 762 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,1|1,0,0]=3 763 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,1|1,0,0]=3 764 B9R1.2 Cc1ccnc(n1)C#C AB69142 [0,1,0,0,0,1|0,0,2]=4 765 B9R1.2 Cc1ccnc(n1)C#N PB33166 [0,1,0,0,0,1|0,0,2]=4 766 B9R1.2 Cc1ccnc(n1)C=O PB28177 [0,1,0,0,0,1|0,0,2]=4 767 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,1,0,0,0,1|0,0,1]=3 768 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,1,0,0,0,1|0,0,1]=3 769 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,0,0,1|0,0,1]=3 770 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,1,0,0,0,1|0,0,2]=4 771 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,1,0,0,0,1|0,0,1]=3 772 B9R1.2 Cc1cncc(n1)CN AB72296 [0,1,0,0,0,1|0,0,1]=3 773 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,1,0,0,0,1|0,0,2]=4 774 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,1,0,0,0,1|0,0,1]=3 775 B9R1.2 Cc1nccc(n1)CN AB43194 [0,1,0,0,0,1|0,0,1]=3 776 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,1|2,0,0]=4 777 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,1|2,0,0]=4 779 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,1|2,0,0]=4 780 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,1|2,0,0]=4 781 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,1|2,0,0]=4 785 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [0,1,0,0,0,1|1,0,1]=4 792 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,1,0,0,0,1|1,0,1]=4 793 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [0,1,0,0,0,1|1,0,1]=4 794 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [0,1,0,0,0,1|1,0,1]=4 795 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,1,0,0,0,1|1,0,1]=4 796 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,1|1,0,1]=4 799 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,1|1,0,1]=4 800 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,1|1,0,1]=4 801 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,1|1,0,1]=4 802 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,1|1,0,1]=4 803 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,1|1,0,1]=4 804 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,1|1,0,1]=4 805 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,1|1,0,1]=4 806 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,1|1,0,1]=4 807 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,1|1,0,1]=4 808 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,1|1,0,1]=4 809 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.2 c1cnc(cc1CCl)Br AB65254 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.2 c1cnc(cc1CCl)Cl AB55687 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.2 c1cnc(cc1CCl)Cl AB59906 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.2 c1cnc(cc1CCl)F AB59901 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.2 c1cnc(cc1CN)Br AB31307 [0,1,0,0,0,1|2,0,0]=4 817 B9R1.2 c1cnc(cc1CN)Cl PB15828 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.2 c1cnc(cc1CN)F AB63132 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.2 c1cnc(cc1CN)F AB63135 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.2 c1cnc(cc1CN)N AB23468 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.2 c1cnc(cc1CO)Br AB17330 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.2 c1cnc(cc1CO)Cl PB21002 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.2 c1cnc(cc1CO)N PB33706 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.2 c1cnc(nc1CCl)Cl AB58935 [0,1,0,0,0,1|1,0,1]=4 832 B9R1.2 c1cnc(nc1CN)Cl AB58851 [0,1,0,0,0,1|1,0,1]=4 833 B9R1.2 c1cnc(nc1CN)O PB23029 [0,1,0,0,0,1|1,0,1]=4 834 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [0,1,0,0,0,1|1,0,1]=4 835 B9R1.2 c1cnc(nc1Cl)CN AB05129 [0,1,0,0,0,1|1,0,1]=4 836 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,1,0,0,0,1|1,0,1]=4 837 B9R1.2 c1cnc(nc1N)CCl AB59419 [0,1,0,0,0,1|1,0,1]=4 838 B9R1.2 c1cnc(nc1N)CN AB62661 [0,1,0,0,0,1|1,0,1]=4 839 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,1,0,0,0,1|1,0,1]=4 840 B9R1.2 c1cnc(nc1O)CN AB63186 [0,1,0,0,0,1|1,0,1]=4 841 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,1,0,0,0,1|2,0,0]=4 843 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,1,0,0,0,1|2,0,0]=4 846 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,1,0,0,0,1|2,0,0]=4 847 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.3 Cc1c(c(ncn1)C)Br PB26303 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.3 Cc1c(nccc1N)C AB01511 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.3 Cc1c(nccc1O)C AB75493 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,1,0,0,0,1|1,0,0]=3 867 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [0,1,0,0,0,1|2,0,0]=4 868 B9R1.3 Cc1ccnc(c1Br)F AB44900 [0,1,0,0,0,1|2,0,0]=4 869 B9R1.3 Cc1ccnc(c1C)Br AB25365 [0,1,0,0,0,1|2,0,0]=4 870 B9R1.3 Cc1ccnc(c1C)N AB11611 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.3 Cc1ccnc(c1N)Br AB17559 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,1,0,0,0,1|1,0,0]=3 877 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.3 Cc1ccnc(c1N)F AB17625 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.3 Cc1ccnc(c1N)N PB32179 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,1,0,0,0,1|1,0,0]=3 881 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,1,0,0,0,1|2,0,0]=4 882 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.3 Cc1cncc(c1Br)C AB53717 [0,1,0,0,0,1|1,0,0]=3 884 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.3 Cc1cncc(c1Br)F AB74996 [0,1,0,0,0,1|2,0,0]=4 886 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,1,0,0,0,1|2,0,0]=4 887 B9R1.3 Cc1cncc(c1C)N AB76783 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.3 Cc1cncc(c1C)O AB65620 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.3 Cc1cncc(c1Cl)C AB50483 [0,1,0,0,0,1|1,0,0]=3 891 B9R1.3 Cc1cncc(c1Cl)N AB75728 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.3 Cc1cncc(c1F)Br AB74994 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.3 Cc1cncc(c1F)N AB66587 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.3 Cc1cncc(c1F)O AB82936 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.3 Cc1cncc(c1N)C AB14443 [0,1,0,0,0,1|1,0,0]=3 897 B9R1.3 Cc1cncc(c1N)Cl AB44879 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.3 Cc1cncc(c1N)F AB75360 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.3 Cc1cncc(c1N)N AB60255 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.3 Cc1cncc(c1O)C AB82550 [0,1,0,0,0,1|1,0,0]=3 901 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.3 Cc1cncc(c1O)F AB25961 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.3 Cn1c(=O)cccc1Br MB01001 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.3 Cn1c(ccnc1=O)Cl MB19859 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [0,1,0,0,0,1|2,0,0]=4 906 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [0,1,0,0,0,1|2,0,0]=4 907 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [0,1,0,0,0,1|2,0,0]=4 908 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [0,1,0,0,0,1|2,0,0]=4 911 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [0,1,0,0,0,1|2,0,0]=4 913 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [0,1,0,0,0,1|2,0,0]=4 914 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,1,0,0,0,1|1,0,1]=4 915 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,1,0,0,0,1|1,0,1]=4 916 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,1,0,0,0,1|1,0,1]=4 917 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,1,0,0,0,1|0,0,1]=3 918 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,1,0,0,0,1|0,0,1]=3 919 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,1,0,0,0,1|0,0,1]=3 920 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,1,0,0,0,1|0,0,1]=3 921 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,1,0,0,0,1|1,0,1]=4 922 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,1,0,0,0,1|1,0,1]=4 923 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,1,0,0,0,1|1,0,1]=4 924 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,1,0,0,0,1|1,0,1]=4 925 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,1,0,0,0,1|1,0,1]=4 926 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,1,0,0,0,1|1,0,1]=4 927 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,1,0,0,0,1|1,0,1]=4 928 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,1,0,0,0,1|1,0,1]=4 929 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,1,0,0,0,1|1,0,0]=3 930 B9R1.34 Cc1cc(nc(c1)Br)Cl AB53549 [0,1,0,0,0,1|2,0,0]=4 931 B9R1.34 Cc1cc(nc(c1)Br)F AB53551 [0,1,0,0,0,1|2,0,0]=4 932 B9R1.34 Cc1cc(nc(c1)Cl)Cl PB31372 [0,1,0,0,0,1|2,0,0]=4 933 B9R1.34 Cc1cc(nc(c1)Cl)N AB53542 [0,1,0,0,0,1|2,0,0]=4 934 B9R1.34 Cc1cc(nc(c1)Cl)O AB71189 [0,1,0,0,0,1|2,0,0]=4 935 B9R1.34 Cc1cc(nc(c1)F)N AB83076 [0,1,0,0,0,1|2,0,0]=4 936 B9R1.34 Cc1cc(nc(c1)F)O AB71308 [0,1,0,0,0,1|2,0,0]=4 937 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,1,0,0,0,1|1,0,0]=3 938 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,1,0,0,0,1|1,0,0]=3 939 B9R1.34 Cc1cc(nc(n1)C)Cl AB05193 [0,1,0,0,0,1|0,0,1]=3 940 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,1,0,0,0,1|0,0,1]=3 941 B9R1.34 Cc1cc(nc(n1)Cl)Br AB72373 [0,1,0,0,0,1|1,0,1]=4 942 B9R1.34 Cc1cc(nc(n1)Cl)C AB01348 [0,1,0,0,0,1|1,0,1]=4 943 B9R1.34 Cc1cc(nc(n1)Cl)N PB12352 [0,1,0,0,0,1|1,0,1]=4 944 B9R1.34 Cc1nc(cc(n1)Cl)Cl PB20912 [0,1,0,0,0,1|1,0,1]=4 945 B9R1.34 Cc1nc(cc(n1)Cl)N PB26286 [0,1,0,0,0,1|1,0,1]=4 946 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,2,0,0,0,0|1,0,0]=3 947 B9R1.7 Cc1[nH]c(nn1)CCN AB28075 [0,2,0,0,0,0|2,0,0]=4 948 B9R1.7 Cc1[nH]c(nn1)CCN AB55812 [0,2,0,0,0,0|2,0,0]=4 949 B9R1.7 Cc1coc(n1)CNC AB70150 [0,2,0,0,0,0|1,0,1]=4 950 B9R1.7 Cc1csc(n1)CCN AB21609 [0,2,0,0,0,0|1,0,1]=4 951 B9R1.7 Cc1nc(cs1)CNC AB28276 [0,2,0,0,0,0|1,0,1]=4 952 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,2,0,0,0,0|2,0,0]=4 953 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,2,0,0,0,0|2,0,0]=4 954 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,2,0,0,0,0|2,0,0]=4 955 B9R1.21 CCc1[nH]c(cn1)C=O AB08501 [0,2,0,0,0,0|1,0,1]=4 956 B9R1.21 CCc1[nH]c(nn1)CN AB57305 [0,2,0,0,0,0|2,0,0]=4 957 B9R1.21 CSc1[nH]c(cn1)C=O AB56996 [0,2,0,0,0,0|1,0,1]=4 958 B9R1.21 CSc1[nH]c(cn1)CCl AB56998 [0,2,0,0,0,0|1,0,0]=3 959 B9R1.21 c1c(nc(o1)CCl)CCl AB71577 [0,2,0,0,0,0|1,0,1]=4 960 B9R1.21 c1c(nc(o1)CO)CCl AB71580 [0,2,0,0,0,0|1,0,1]=4 961 B9R1.21 c1cc(oc1CO)C#N AB44038 [0,2,0,0,0,0|1,0,1]=4 962 B9R1.21 c1cc(sc1CBr)C#N AB44189 [0,2,0,0,0,0|1,0,1]=4 963 B9R1.21 c1cc(sc1CCl)C#N AB72609 [0,2,0,0,0,0|1,0,1]=4 964 B9R1.21 c1cc(sc1CN)C#N AB45511 [0,2,0,0,0,0|1,0,1]=4 965 B9R1.22 Cc1c(cn(n1)C)C#N AB20878 [0,2,0,0,0,0|1,0,1]=4 966 B9R1.22 Cc1c(cn(n1)C)C=O AB04183 [0,2,0,0,0,0|1,0,1]=4 967 B9R1.22 Cc1c(cn(n1)C)CCl AB72467 [0,2,0,0,0,0|1,0,1]=4 968 B9R1.22 Cc1c(cn(n1)C)CN AB10627 [0,2,0,0,0,0|1,0,1]=4 969 B9R1.22 Cc1c(cn(n1)C)CO AB11625 [0,2,0,0,0,0|1,0,1]=4 970 B9R1.22 Cc1c(nc(s1)C)CO AB62860 [0,2,0,0,0,0|1,0,1]=4 971 B9R1.22 Cc1c(oc(n1)C)C=O AB27656 [0,2,0,0,0,0|1,0,1]=4 972 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [0,2,0,0,0,0|1,0,1]=4 973 B9R1.22 Cc1c(sc(n1)C)CN MB08333 [0,2,0,0,0,0|1,0,1]=4 974 B9R1.22 Cc1cc(c(s1)C#N)N AB48292 [0,2,0,0,0,0|1,0,1]=4 975 B9R1.22 Cc1cc(n(n1)C)C=O AB12155 [0,2,0,0,0,0|1,0,1]=4 976 B9R1.22 Cc1cc(n(n1)C)CCl PB10408 [0,2,0,0,0,0|1,0,1]=4 977 B9R1.22 Cc1cc(n(n1)C)CN PB17288 [0,2,0,0,0,0|1,0,1]=4 978 B9R1.22 Cc1cc(n(n1)C)CO PB29211 [0,2,0,0,0,0|1,0,1]=4 979 B9R1.22 Cc1cn(c(n1)CO)C AB63450 [0,2,0,0,0,0|1,0,1]=4 980 B9R1.22 Cc1cn(nc1CO)C AB63452 [0,2,0,0,0,0|1,0,1]=4 981 B9R1.23 CCn1cc(c(n1)C)N PB30766 [0,2,0,0,0,0|1,0,1]=4 982 B9R1.23 Cc1c(oc(n1)NC)C AB65970 [0,2,0,0,0,0|1,0,1]=4 983 B9R1.23 Cc1cc(nn1C)CCl PB14522 [0,2,0,0,0,0|1,0,1]=4 984 B9R1.23 Cc1cc(nn1C)CN PB29261 [0,2,0,0,0,0|1,0,1]=4 985 B9R1.23 Cc1cc(nn1C)CO PB29273 [0,2,0,0,0,0|1,0,1]=4 986 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.35 B(c1ccc(s1)C)(O)O PB21738 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,2,0,0,0,0|2,0,0]=4 990 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,2,0,0,0,0|2,0,0]=4 991 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,2,0,0,0,0|2,0,0]=4 992 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,2,0,0,0,0|1,0,0]=3 993 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [0,2,0,0,0,0|1,0,1]=4 994 B9R1.35 Cc1[nH]c(cn1)C(C)N AB58094 [0,2,0,0,0,0|1,0,0]=3 995 B9R1.35 Cc1[nH]c(nn1)C(C)C MB19547 [0,2,0,0,0,0|2,0,0]=4 996 B9R1.35 Cc1[nH]cc(n1)C(C)C AB24901 [0,2,0,0,0,0|1,0,1]=4 997 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,2,0,0,0,0|1,0,0]=3 998 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,2,0,0,0,0|1,0,1]=4 999 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,2,0,0,0,0|1,0,1]=4 1000 B9R1.35 Cc1csc(n1)[C@H](C)N AB68276 [0,2,0,0,0,0|1,0,1]=4 1001 B9R1.35 Cc1nc(cs1)C(C)N AB28273 [0,2,0,0,0,0|1,0,1]=4 1002 B9R1.132 Cc1cnc(n1C)C=O AB62623 [0,2,0,0,0,0|1,0,1]=4 1003 B9R1.132 Cc1cnc(n1C)CCl AB70176 [0,2,0,0,0,0|1,0,0]=3 1004 B9R1.132 Cc1cnc(n1C)CN AB70180 [0,2,0,0,0,0|1,0,0]=3 1005 B9R1.132 Cc1nnc(n1C)CCl AB75827 [0,2,0,0,0,0|2,0,0]=4 1006 B9R1.132 Cc1nnc(n1C)CN AB65392 [0,2,0,0,0,0|2,0,0]=4 1007 B9R1.132 Cn1c(cnc1Br)CN AB56941 [0,2,0,0,0,0|2,0,0]=4 1008 B9R1.132 Cn1c(cnc1Br)CO AB39257 [0,2,0,0,0,0|2,0,0]=4 1009 B9R1.132 Cn1c(cnc1Cl)CN AB56939 [0,2,0,0,0,0|2,0,0]=4 1010 B9R1.132 Cn1c(cnc1N)CO AB27795 [0,2,0,0,0,0|2,0,0]=4 1011 B9R1.132 Cn1c(cnc1S)CO AB04871 [0,2,0,0,0,0|2,0,0]=4 1012 B9R1.37 Cc1c(c(n(n1)C)C)Br AB02192 [0,2,0,0,0,0|1,0,1]=4 1013 B9R1.37 Cc1c(c(sc1Br)C)Br MB09669 [0,2,0,0,0,0|2,0,0]=4 1014 B9R1.37 Cc1c(n(c(n1)N)C)C AB68809 [0,2,0,0,0,0|2,0,0]=4 1015 B9R1.37 Cc1c(nc(n1C)Br)Br AB26580 [0,2,0,0,0,0|2,0,0]=4 1016 B9R1.37 Cc1nc(c(n1C)Br)Br AB11301 [0,2,0,0,0,0|2,0,0]=4 1017 B9R1.27 CCn1c(nnc1C)C AB51154 [0,2,0,0,0,0|2,0,0]=4 1018 B7R1.3 Cc1ccncn1 PB17038 [0,0,1,1,0,0|1,0,1]=4