0 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 CC1=CCC=C(C1)C TS04144 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.4 CC1=CCCC(=O)O1 TS31918 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1CCCC(=C1)C TS48310 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.4 C[n+]1cccc(c1)Br TS74567 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.4 Cc1cc(ccn1)Br TS20656 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.4 Cc1cc(ccn1)Br TS85446 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.4 Cc1cc(ccn1)Cl TS42660 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.4 Cc1cc(ccn1)Cl TS71029 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.4 Cc1cc(ccn1)F TS04247 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.4 Cc1cc(ccn1)I TS22520 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.4 Cc1cc(ccn1)N TS93456 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.4 Cc1cc(ccn1)O TS03105 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.4 Cc1cc(cnc1)Br TS65935 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.4 Cc1cc(cnc1)C TS31757 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.4 Cc1cc(cnc1)Cl TS66000 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 Cc1cc(cnc1)F TS70587 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.4 Cc1cc(cnc1)N TS02653 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.4 Cc1cc(cnc1)O TS70616 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.4 Cc1cc(ncn1)C TS02936 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.4 Cc1cc(ncn1)Cl TS03167 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.4 Cc1cc(ncn1)N TS86037 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.4 Cc1cc(ncn1)O TS71161 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 Cc1cc(nnc1)Cl TS00181 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.4 Cc1cccc(c1)Br TS39711 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.4 Cc1cccc(c1)C TS04101 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.4 Cc1cccc(c1)Cl TS36194 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.4 Cc1cccc(c1)F TS31827 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.4 Cc1cccc(c1)I TS49342 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.4 Cc1cccc(c1)N TS04111 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.4 Cc1cccc(c1)N TS40126 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 Cc1cccc(c1)O TS31767 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.4 Cc1cccc(c1)S TS05038 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.4 Cc1cccc(n1)Br TS08371 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.4 Cc1cccc(n1)Br TS94756 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.4 Cc1cccc(n1)C TS60248 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.4 Cc1cccc(n1)Cl TS00936 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 Cc1cccc(n1)F TS55370 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.4 Cc1cccc(n1)I TS59623 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.4 Cc1cccc(n1)N TS47459 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.4 Cc1cccc(n1)O TS01270 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.4 Cc1cccc(n1)S TS05106 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.4 Cc1cccn(=O)c1 TS02882 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.4 Cc1ccnc(c1)Br TS08333 [0,0,0,0,0,0|1,0,0]=1 46 B8R1.4 Cc1ccnc(c1)C TS07700 [0,0,0,0,0,0|0,0,0]=0 47 B8R1.4 Cc1ccnc(c1)Cl TS55236 [0,0,0,0,0,0|1,0,0]=1 48 B8R1.4 Cc1ccnc(c1)F TS85429 [0,0,0,0,0,0|1,0,0]=1 49 B8R1.4 Cc1ccnc(c1)I TS33096 [0,0,0,0,0,0|1,0,0]=1 50 B8R1.4 Cc1ccnc(c1)O TS01045 [0,0,0,0,0,0|1,0,0]=1 51 B8R1.4 Cc1ccnc(n1)Br TS08334 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.4 Cc1ccnc(n1)Cl TS00889 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.4 Cc1ccnc(n1)N TS47413 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.4 Cc1ccnc(n1)O TS01046 [0,0,0,0,0,0|2,0,0]=2 55 B8R1.4 Cc1ccnc(n1)S TS36140 [0,0,0,0,0,0|2,0,0]=2 56 B8R1.4 Cc1cncc(n1)Br TS08370 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.4 Cc1cncc(n1)C TS31775 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.4 Cc1cncc(n1)Cl TS00934 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.4 Cc1cncc(n1)N TS01269 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.4 Cc1cncc(n1)O TS01059 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.4 Cc1nccc(n1)Cl TS71022 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.4 Cc1nccc(n1)O TS03106 [0,0,0,0,0,0|2,0,0]=2 63 B8R1.4 c1[nH]c(=O)[nH]c(=O)n1 TS16779 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.4 c1[nH]c(=O)nc(n1)N TS71393 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.4 c1c([nH]cnc1=O)S TS05324 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.4 c1c(cn[nH]c1=O)I TS87733 [0,0,0,0,0,0|3,0,1]=4 67 B8R1.4 c1c(cn[nH]c1=O)N TS87794 [0,0,0,0,0,0|3,0,1]=4 68 B8R1.4 c1c(cncc1Br)Br TS02580 [0,0,0,0,0,0|4,0,0]=4 69 B8R1.4 c1c(cncc1Br)Cl TS85436 [0,0,0,0,0,0|4,0,0]=4 70 B8R1.4 c1c(cncc1Br)F TS16987 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.4 c1c(cncc1Br)N TS09813 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.4 c1c(cncc1Br)O TS65929 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.4 c1c(cncc1Cl)Cl TS65794 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.4 c1c(cncc1Cl)F TS65996 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.4 c1c(cncc1Cl)N TS02649 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.4 c1c(cncc1Cl)O TS03267 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.4 c1c(cncc1F)N TS16742 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.4 c1c(cncc1F)N TS85434 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.4 c1c(cncc1F)O TS70584 [0,0,0,0,0,0|4,0,0]=4 80 B8R1.4 c1c(cncc1I)Br TS65930 [0,0,0,0,0,0|4,0,0]=4 81 B8R1.4 c1c(cncc1I)Cl TS57281 [0,0,0,0,0,0|4,0,0]=4 82 B8R1.4 c1c(cncc1I)F TS50246 [0,0,0,0,0,0|4,0,0]=4 83 B8R1.4 c1c(cncc1I)I TS87998 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.4 c1c(cncc1I)N TS02651 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.4 c1c(cncc1N)N TS02192 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.4 c1c(cncc1O)N TS31814 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.4 c1c(cncc1O)O TS02592 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.4 c1c(cnnc1Cl)Cl TS65792 [0,0,0,0,0,0|3,0,0]=3 89 B8R1.4 c1c(cnnc1Cl)N TS88200 [0,0,0,0,0,0|3,0,0]=3 90 B8R1.4 c1c(cnnc1N)Cl TS86851 [0,0,0,0,0,0|3,0,0]=3 91 B8R1.4 c1c(ncnc1Br)Br TS70823 [0,0,0,0,0,0|3,0,0]=3 92 B8R1.4 c1c(ncnc1Cl)Cl TS02916 [0,0,0,0,0,0|3,0,0]=3 93 B8R1.4 c1c(ncnc1Cl)N TS70900 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.4 c1c(ncnc1Cl)O TS08422 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.4 c1c(ncnc1F)F TS04569 [0,0,0,0,0,0|3,0,0]=3 96 B8R1.4 c1c(ncnc1I)I TS02929 [0,0,0,0,0,0|3,0,0]=3 97 B8R1.4 c1c(ncnc1N)N TS70822 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.4 c1c(ncnc1O)O TS70839 [0,0,0,0,0,0|3,0,0]=3 99 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04273 [0,0,0,0,0,0|3,0,1]=4 100 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04421 [0,0,0,0,0,0|3,0,1]=4 101 B8R1.4 c1c[nH]c(=O)nc1N TS01407 [0,0,0,0,0,0|3,0,1]=4 102 B8R1.4 c1c[nH]c(=S)[nH]c1=O TS65665 [0,0,0,0,0,0|3,0,1]=4 103 B8R1.4 c1c[nH]c(=S)[nH]c1=O TS93289 [0,0,0,0,0,0|3,0,1]=4 104 B8R1.4 c1c[nH]c(=S)[nH]c1=S TS07015 [0,0,0,0,0,0|3,0,1]=4 105 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [0,0,0,0,0,0|3,0,0]=3 107 B8R1.4 c1cc(cc(c1)Br)F TS65943 [0,0,0,0,0,0|3,0,0]=3 108 B8R1.4 c1cc(cc(c1)Br)N TS60009 [0,0,0,0,0,0|3,0,0]=3 109 B8R1.4 c1cc(cc(c1)Br)O TS65958 [0,0,0,0,0,0|3,0,0]=3 110 B8R1.4 c1cc(cc(c1)Br)S TS09503 [0,0,0,0,0,0|3,0,0]=3 111 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [0,0,0,0,0,0|3,0,0]=3 112 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [0,0,0,0,0,0|3,0,0]=3 113 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [0,0,0,0,0,0|3,0,0]=3 114 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [0,0,0,0,0,0|3,0,0]=3 115 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [0,0,0,0,0,0|3,0,0]=3 116 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [0,0,0,0,0,0|3,0,0]=3 117 B8R1.4 c1cc(cc(c1)F)F TS07881 [0,0,0,0,0,0|3,0,0]=3 118 B8R1.4 c1cc(cc(c1)F)N TS07389 [0,0,0,0,0,0|3,0,0]=3 119 B8R1.4 c1cc(cc(c1)F)N TS70590 [0,0,0,0,0,0|3,0,0]=3 120 B8R1.4 c1cc(cc(c1)F)O TS70601 [0,0,0,0,0,0|3,0,0]=3 121 B8R1.4 c1cc(cc(c1)I)Br TS46926 [0,0,0,0,0,0|3,0,0]=3 122 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [0,0,0,0,0,0|3,0,0]=3 123 B8R1.4 c1cc(cc(c1)I)F TS70597 [0,0,0,0,0,0|3,0,0]=3 124 B8R1.4 c1cc(cc(c1)I)I TS65281 [0,0,0,0,0,0|3,0,0]=3 125 B8R1.4 c1cc(cc(c1)I)N TS39444 [0,0,0,0,0,0|3,0,0]=3 126 B8R1.4 c1cc(cc(c1)I)O TS49693 [0,0,0,0,0,0|3,0,0]=3 127 B8R1.4 c1cc(cc(c1)N)N TS31777 [0,0,0,0,0,0|3,0,0]=3 128 B8R1.4 c1cc(cc(c1)N)N TS38980 [0,0,0,0,0,0|3,0,0]=3 129 B8R1.4 c1cc(cc(c1)N)N TS48030 [0,0,0,0,0,0|3,0,0]=3 130 B8R1.4 c1cc(cc(c1)O)N TS07147 [0,0,0,0,0,0|3,0,0]=3 131 B8R1.4 c1cc(cc(c1)O)N TS39704 [0,0,0,0,0,0|3,0,0]=3 132 B8R1.4 c1cc(cc(c1)O)O TS04191 [0,0,0,0,0,0|3,0,0]=3 133 B8R1.4 c1cc(cc(c1)S)F TS02772 [0,0,0,0,0,0|3,0,0]=3 134 B8R1.4 c1cc(cc(c1)S)N TS05107 [0,0,0,0,0,0|3,0,0]=3 135 B8R1.4 c1cc(cc(c1)S)O TS00159 [0,0,0,0,0,0|3,0,0]=3 136 B8R1.4 c1cc(cc(c1)S)S TS06771 [0,0,0,0,0,0|3,0,0]=3 137 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [0,0,0,0,0,0|3,0,0]=3 138 B8R1.4 c1cc(cn(=O)c1)Br TS45713 [0,0,0,0,0,0|4,0,0]=4 139 B8R1.4 c1cc(cn(=O)c1)Cl TS05503 [0,0,0,0,0,0|4,0,0]=4 140 B8R1.4 c1cc(cn(=O)c1)F TS65086 [0,0,0,0,0,0|4,0,0]=4 141 B8R1.4 c1cc(cn(=O)c1)O TS04234 [0,0,0,0,0,0|4,0,0]=4 142 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [0,0,0,0,0,0|4,0,0]=4 143 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [0,0,0,0,0,0|4,0,0]=4 144 B8R1.4 c1cc(nc(c1)Br)F TS08361 [0,0,0,0,0,0|4,0,0]=4 145 B8R1.4 c1cc(nc(c1)Br)N TS00798 [0,0,0,0,0,0|4,0,0]=4 146 B8R1.4 c1cc(nc(c1)Br)O TS08364 [0,0,0,0,0,0|4,0,0]=4 147 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [0,0,0,0,0,0|4,0,0]=4 148 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [0,0,0,0,0,0|4,0,0]=4 149 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [0,0,0,0,0,0|4,0,0]=4 150 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [0,0,0,0,0,0|4,0,0]=4 151 B8R1.4 c1cc(nc(c1)F)F TS47310 [0,0,0,0,0,0|4,0,0]=4 152 B8R1.4 c1cc(nc(c1)F)N TS00806 [0,0,0,0,0,0|4,0,0]=4 153 B8R1.4 c1cc(nc(c1)F)O TS32004 [0,0,0,0,0,0|4,0,0]=4 154 B8R1.4 c1cc(nc(c1)I)Br TS54680 [0,0,0,0,0,0|4,0,0]=4 155 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [0,0,0,0,0,0|4,0,0]=4 156 B8R1.4 c1cc(nc(c1)I)I TS07928 [0,0,0,0,0,0|4,0,0]=4 157 B8R1.4 c1cc(nc(c1)I)N TS39789 [0,0,0,0,0,0|4,0,0]=4 158 B8R1.4 c1cc(nc(c1)N)N TS00686 [0,0,0,0,0,0|4,0,0]=4 159 B8R1.4 c1cc(nc(c1)N)N TS20354 [0,0,0,0,0,0|4,0,0]=4 160 B8R1.4 c1cc(nc(c1)O)N TS00808 [0,0,0,0,0,0|4,0,0]=4 161 B8R1.4 c1cc(nc(c1)O)O TS07388 [0,0,0,0,0,0|4,0,0]=4 162 B8R1.4 c1cc(nc(c1)O)O TS47313 [0,0,0,0,0,0|4,0,0]=4 163 B8R1.4 c1cc(nc(c1)S)S TS06879 [0,0,0,0,0,0|4,0,0]=4 164 B8R1.4 c1cnc([nH]c1=O)N TS47400 [0,0,0,0,0,0|3,0,0]=3 165 B8R1.4 c1cnc([nH]c1=O)N TS90232 [0,0,0,0,0,0|3,0,0]=3 166 B8R1.4 c1cnc(cc1Br)Br TS47198 [0,0,0,0,0,0|2,0,0]=2 167 B8R1.4 c1cnc(cc1Br)Cl TS85435 [0,0,0,0,0,0|2,0,0]=2 168 B8R1.4 c1cnc(cc1Br)F TS16945 [0,0,0,0,0,0|2,0,0]=2 169 B8R1.4 c1cnc(cc1Br)I TS54678 [0,0,0,0,0,0|2,0,0]=2 170 B8R1.4 c1cnc(cc1Br)N TS47392 [0,0,0,0,0,0|2,0,0]=2 171 B8R1.4 c1cnc(cc1Br)O TS70957 [0,0,0,0,0,0|2,0,0]=2 172 B8R1.4 c1cnc(cc1Cl)Br TS55100 [0,0,0,0,0,0|2,0,0]=2 173 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [0,0,0,0,0,0|2,0,0]=2 174 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [0,0,0,0,0,0|2,0,0]=2 175 B8R1.4 c1cnc(cc1Cl)F TS03044 [0,0,0,0,0,0|2,0,0]=2 176 B8R1.4 c1cnc(cc1Cl)N TS00747 [0,0,0,0,0,0|2,0,0]=2 177 B8R1.4 c1cnc(cc1Cl)O TS03047 [0,0,0,0,0,0|2,0,0]=2 178 B8R1.4 c1cnc(cc1F)Br TS08322 [0,0,0,0,0,0|2,0,0]=2 179 B8R1.4 c1cnc(cc1F)Cl TS55216 [0,0,0,0,0,0|2,0,0]=2 180 B8R1.4 c1cnc(cc1F)F TS47221 [0,0,0,0,0,0|2,0,0]=2 181 B8R1.4 c1cnc(cc1F)N TS00754 [0,0,0,0,0,0|2,0,0]=2 182 B8R1.4 c1cnc(cc1F)O TS32002 [0,0,0,0,0,0|2,0,0]=2 183 B8R1.4 c1cnc(cc1I)Br TS08326 [0,0,0,0,0,0|2,0,0]=2 184 B8R1.4 c1cnc(cc1I)Cl TS55222 [0,0,0,0,0,0|2,0,0]=2 185 B8R1.4 c1cnc(cc1I)F TS08421 [0,0,0,0,0,0|2,0,0]=2 186 B8R1.4 c1cnc(cc1I)I TS63698 [0,0,0,0,0,0|2,0,0]=2 187 B8R1.4 c1cnc(cc1I)N TS49694 [0,0,0,0,0,0|2,0,0]=2 188 B8R1.4 c1cnc(cc1N)Br TS70872 [0,0,0,0,0,0|2,0,0]=2 189 B8R1.4 c1cnc(cc1N)Cl TS75450 [0,0,0,0,0,0|2,0,0]=2 190 B8R1.4 c1cnc(cc1N)Cl TS89130 [0,0,0,0,0,0|2,0,0]=2 191 B8R1.4 c1cnc(cc1N)F TS01037 [0,0,0,0,0,0|2,0,0]=2 192 B8R1.4 c1cnc(cc1N)N TS59371 [0,0,0,0,0,0|2,0,0]=2 193 B8R1.4 c1cnc(cc1N)O TS02965 [0,0,0,0,0,0|2,0,0]=2 194 B8R1.4 c1cnc(cc1N)O TS86931 [0,0,0,0,0,0|2,0,0]=2 195 B8R1.4 c1cnc(cc1O)Br TS08324 [0,0,0,0,0,0|2,0,0]=2 196 B8R1.4 c1cnc(cc1O)Cl TS55220 [0,0,0,0,0,0|2,0,0]=2 197 B8R1.4 c1cnc(cc1O)F TS32003 [0,0,0,0,0,0|2,0,0]=2 198 B8R1.4 c1cnc(cc1O)N TS47399 [0,0,0,0,0,0|2,0,0]=2 199 B8R1.4 c1cnc(cc1O)O TS04243 [0,0,0,0,0,0|2,0,0]=2 200 B8R1.4 c1cnc(nc1Br)Br TS57012 [0,0,0,0,0,0|3,0,0]=3 201 B8R1.4 c1cnc(nc1Br)N TS86309 [0,0,0,0,0,0|3,0,0]=3 202 B8R1.4 c1cnc(nc1Cl)Cl TS00619 [0,0,0,0,0,0|3,0,0]=3 203 B8R1.4 c1cnc(nc1Cl)N TS00748 [0,0,0,0,0,0|3,0,0]=3 204 B8R1.4 c1cnc(nc1F)F TS32174 [0,0,0,0,0,0|3,0,0]=3 205 B8R1.4 c1cnc(nc1N)Cl TS02958 [0,0,0,0,0,0|3,0,0]=3 206 B8R1.4 c1cnc(nc1N)N TS31825 [0,0,0,0,0,0|3,0,0]=3 207 B8R1.4 c1cnc(nc1N)S TS05272 [0,0,0,0,0,0|3,0,0]=3 208 B8R1.4 c1cnc(nc1O)N TS04245 [0,0,0,0,0,0|3,0,0]=3 209 B8R1.4 c1cnc(nc1O)O TS39605 [0,0,0,0,0,0|3,0,0]=3 210 B8R1.4 c1nc(nc(n1)Cl)Cl TS00599 [0,0,0,0,0,0|4,0,0]=4 211 B8R1.4 c1nc(nc(n1)N)N TS04246 [0,0,0,0,0,0|4,0,0]=4 212 B7R1.3 B=N1=CC=CC=C1 TS71871 [1,0,0,0,0,0|3,0,0]=4 213 B7R1.3 C1NC(=CC=N1)N TS31399 [1,0,0,0,0,0|2,0,1]=4 214 B7R1.3 CC1CC=CC=C1 TS03676 [1,0,0,0,0,0|1,0,1]=3 215 B7R1.3 C[n+]1ccccc1 TS05508 [1,0,0,0,0,0|2,0,0]=3 216 B7R1.3 C[n+]1ccccc1 TS45717 [1,0,0,0,0,0|2,0,0]=3 217 B7R1.3 Cc1ccccc1 TS71861 [1,0,0,0,0,0|1,0,0]=2 218 B7R1.3 Cc1ccccn1 TS71881 [1,0,0,0,0,0|0,0,0]=1 219 B7R1.3 Cc1ccccn1 TS93768 [1,0,0,0,0,0|0,0,0]=1 220 B7R1.3 Cc1cccnc1 TS39719 [1,0,0,0,0,0|2,0,0]=3 221 B7R1.3 Cc1cccnn1 TS70675 [1,0,0,0,0,0|1,0,0]=2 222 B7R1.3 Cc1ccncc1 TS02242 [1,0,0,0,0,0|0,0,0]=1 223 B7R1.3 Cc1ccncn1 TS71236 [1,0,0,0,0,0|1,0,0]=2 224 B7R1.3 Cc1ccnnc1 TS03181 [1,0,0,0,0,0|1,0,0]=2 225 B7R1.3 Cc1cnccn1 TS02445 [1,0,0,0,0,0|1,0,0]=2 226 B7R1.3 Cc1cncnc1 TS01164 [1,0,0,0,0,0|3,0,0]=4 227 B7R1.3 Cc1ncccn1 TS59978 [1,0,0,0,0,0|1,0,0]=2 228 B7R1.3 [Li]c1ccccc1 TS03475 [1,0,0,0,0,0|2,0,0]=3 229 B7R1.3 c1cc(cnc1)Br TS09497 [1,0,0,0,0,0|3,0,0]=4 230 B7R1.3 c1cc(cnc1)Cl TS66010 [1,0,0,0,0,0|3,0,0]=4 231 B7R1.3 c1cc(cnc1)F TS02768 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.3 c1cc(cnc1)I TS70634 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.3 c1cc(cnc1)N TS02672 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.3 c1cc(cnc1)O TS32269 [1,0,0,0,0,0|3,0,0]=4 235 B7R1.3 c1cc(nnc1)Cl TS66009 [1,0,0,0,0,0|2,0,0]=3 236 B7R1.3 c1cc(nnc1)Cl TS91704 [1,0,0,0,0,0|2,0,0]=3 237 B7R1.3 c1cc(nnc1)N TS02670 [1,0,0,0,0,0|2,0,0]=3 238 B7R1.3 c1cc(nnc1)N TS02671 [1,0,0,0,0,0|2,0,0]=3 239 B7R1.3 c1cc(nnc1)O TS91073 [1,0,0,0,0,0|2,0,0]=3 240 B7R1.3 c1cc[n+](cc1)F TS15405 [1,0,0,0,0,0|3,0,0]=4 241 B7R1.3 c1cc[n+](cc1)N TS50044 [1,0,0,0,0,0|3,0,0]=4 242 B7R1.3 c1ccc(cc1)Br TS33230 [1,0,0,0,0,0|2,0,0]=3 243 B7R1.3 c1ccc(cc1)Cl TS39829 [1,0,0,0,0,0|2,0,0]=3 244 B7R1.3 c1ccc(cc1)F TS03718 [1,0,0,0,0,0|2,0,0]=3 245 B7R1.3 c1ccc(cc1)I TS01502 [1,0,0,0,0,0|2,0,0]=3 246 B7R1.3 c1ccc(cc1)I TS09193 [1,0,0,0,0,0|2,0,0]=3 247 B7R1.3 c1ccc(cc1)N TS05506 [1,0,0,0,0,0|2,0,0]=3 248 B7R1.3 c1ccc(cc1)N TS17238 [1,0,0,0,0,0|2,0,0]=3 249 B7R1.3 c1ccc(cc1)N TS31115 [1,0,0,0,0,0|2,0,0]=3 250 B7R1.3 c1ccc(cc1)N TS45718 [1,0,0,0,0,0|2,0,0]=3 251 B7R1.3 c1ccc(cc1)N TS50550 [1,0,0,0,0,0|2,0,0]=3 252 B7R1.3 c1ccc(cc1)N TS71877 [1,0,0,0,0,0|2,0,0]=3 253 B7R1.3 c1ccc(cc1)O TS03667 [1,0,0,0,0,0|2,0,0]=3 254 B7R1.3 c1ccc(cc1)P TS04186 [1,0,0,0,0,0|2,0,0]=3 255 B7R1.3 c1ccc(cc1)S TS04213 [1,0,0,0,0,0|2,0,0]=3 256 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [1,0,0,0,0,0|2,0,0]=3 257 B7R1.3 c1ccc(cc1)[O-] TS31486 [1,0,0,0,0,0|2,0,0]=3 258 B7R1.3 c1ccc(cc1)[O-] TS45086 [1,0,0,0,0,0|2,0,0]=3 259 B7R1.3 c1ccc(cc1)[S-] TS13286 [1,0,0,0,0,0|2,0,0]=3 260 B7R1.3 c1ccc(cc1)[S-] TS36665 [1,0,0,0,0,0|2,0,0]=3 261 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [1,0,0,0,0,0|1,1,0]=3 262 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [1,0,0,0,0,0|2,0,0]=3 263 B7R1.3 c1ccn(=O)cc1 TS60161 [1,0,0,0,0,0|3,0,0]=4 264 B7R1.3 c1ccnc(c1)Cl TS02148 [1,0,0,0,0,0|1,0,0]=2 265 B7R1.3 c1ccnc(c1)F TS60290 [1,0,0,0,0,0|1,0,0]=2 266 B7R1.3 c1ccnc(c1)I TS01085 [1,0,0,0,0,0|1,0,0]=2 267 B7R1.3 c1ccnc(c1)N TS03671 [1,0,0,0,0,0|1,0,0]=2 268 B7R1.3 c1ccnc(c1)O TS03693 [1,0,0,0,0,0|1,0,0]=2 269 B7R1.3 c1ccnc(c1)S TS31885 [1,0,0,0,0,0|1,0,0]=2 270 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [1,0,0,0,0,0|1,0,0]=2 271 B7R1.3 c1ccoc(=O)c1 TS03711 [1,0,0,0,0,0|2,0,0]=3 272 B7R1.3 c1cn(=O)ccn1 TS03715 [1,0,0,0,0,0|2,0,0]=3 273 B7R1.3 c1cnc(cn1)Br TS00861 [1,0,0,0,0,0|2,0,0]=3 274 B7R1.3 c1cnc(cn1)Cl TS00954 [1,0,0,0,0,0|2,0,0]=3 275 B7R1.3 c1cnc(cn1)F TS01036 [1,0,0,0,0,0|2,0,0]=3 276 B7R1.3 c1cnc(cn1)N TS00818 [1,0,0,0,0,0|2,0,0]=3 277 B7R1.3 c1cnc(cn1)O TS55403 [1,0,0,0,0,0|2,0,0]=3 278 B7R1.3 c1cnc(cn1)S TS04306 [1,0,0,0,0,0|2,0,0]=3 279 B7R1.3 c1cnc(nc1)Br TS00866 [1,0,0,0,0,0|2,0,0]=3 280 B7R1.3 c1cnc(nc1)Cl TS00959 [1,0,0,0,0,0|2,0,0]=3 281 B7R1.3 c1cnc(nc1)Cl TS00963 [1,0,0,0,0,0|2,0,0]=3 282 B7R1.3 c1cnc(nc1)I TS38910 [1,0,0,0,0,0|2,0,0]=3 283 B7R1.3 c1cnc(nc1)N TS00821 [1,0,0,0,0,0|2,0,0]=3 284 B7R1.3 c1cnc(nc1)O TS13789 [1,0,0,0,0,0|2,0,0]=3 285 B7R1.3 c1cnc(nc1)O TS55405 [1,0,0,0,0,0|2,0,0]=3 286 B7R1.3 c1cnc(nc1)O TS55406 [1,0,0,0,0,0|2,0,0]=3 287 B7R1.3 c1cnc(nc1)S TS55424 [1,0,0,0,0,0|2,0,0]=3 288 B7R1.3 c1cnccc1Br TS57179 [1,0,0,0,0,0|1,0,0]=2 289 B7R1.3 c1cnccc1Cl TS09693 [1,0,0,0,0,0|1,0,0]=2 290 B7R1.3 c1cnccc1I TS09722 [1,0,0,0,0,0|1,0,0]=2 291 B7R1.3 c1cnccc1N TS70921 [1,0,0,0,0,0|1,0,0]=2 292 B7R1.3 c1cnccc1O TS87252 [1,0,0,0,0,0|1,0,0]=2 293 B7R1.3 c1cnccc1S TS31884 [1,0,0,0,0,0|1,0,0]=2 294 B7R1.3 c1cncnc1Br TS09614 [1,0,0,0,0,0|2,0,0]=3 295 B7R1.3 c1cncnc1Cl TS71077 [1,0,0,0,0,0|2,0,0]=3 296 B7R1.3 c1cncnc1Cl TS86366 [1,0,0,0,0,0|2,0,0]=3 297 B7R1.3 c1cncnc1N TS70922 [1,0,0,0,0,0|2,0,0]=3 298 B7R1.3 c1cncnc1O TS03137 [1,0,0,0,0,0|2,0,0]=3 299 B7R1.3 c1cncnc1O TS15021 [1,0,0,0,0,0|2,0,0]=3 300 B7R1.3 c1cncnc1O TS16881 [1,0,0,0,0,0|2,0,0]=3 301 B7R1.3 c1cnnc(n1)N TS03716 [1,0,0,0,0,0|3,0,0]=4 302 B7R1.3 c1cnncc1Br TS59608 [1,0,0,0,0,0|2,0,0]=3 303 B7R1.3 c1cnncc1N TS70920 [1,0,0,0,0,0|2,0,0]=3 304 B7R1.3 c1cnncc1N TS92859 [1,0,0,0,0,0|2,0,0]=3 305 B7R1.3 c1cnncc1O TS03136 [1,0,0,0,0,0|2,0,0]=3 306 B7R1.3 c1coccc1=O TS39928 [1,0,0,0,0,0|2,0,0]=3 307 B7R1.3 c1ncnc(n1)N TS03717 [1,0,0,0,0,0|3,0,0]=4 308 B9R1.2 C#Cc1cccc(c1)Br TS65960 [0,1,0,0,0,0|2,0,1]=4 309 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [0,1,0,0,0,0|2,0,1]=4 310 B9R1.2 C#Cc1cccc(c1)F TS70602 [0,1,0,0,0,0|2,0,1]=4 311 B9R1.2 C#Cc1cccc(c1)N TS02665 [0,1,0,0,0,0|2,0,1]=4 312 B9R1.2 C#Cc1cccc(c1)O TS32329 [0,1,0,0,0,0|2,0,1]=4 313 B9R1.2 C#Cc1ccnc(n1)N TS90922 [0,1,0,0,0,0|2,0,1]=4 314 B9R1.2 C=Cc1cccc(c1)Br TS48377 [0,1,0,0,0,0|2,0,1]=4 315 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [0,1,0,0,0,0|2,0,1]=4 316 B9R1.2 C=Cc1cccc(c1)F TS32503 [0,1,0,0,0,0|2,0,1]=4 317 B9R1.2 C=Cc1cccc(c1)N TS04792 [0,1,0,0,0,0|2,0,1]=4 318 B9R1.2 CC[n+]1cccc(c1)O TS38523 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.2 CCc1cc(cnc1)Br TS91617 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.2 CCc1cccc(c1)Br TS32764 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.2 CCc1cccc(c1)C TS04835 [0,1,0,0,0,0|1,0,0]=2 322 B9R1.2 CCc1cccc(c1)N TS32463 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.2 CCc1cccc(c1)O TS04895 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.2 CCc1cccc(n1)C TS32466 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.2 CCc1cccc(n1)N TS60098 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.2 CCc1ccnc(c1)Br TS48833 [0,1,0,0,0,0|1,0,0]=2 327 B9R1.2 CCc1ccnc(c1)C TS32469 [0,1,0,0,0,0|0,0,0]=1 328 B9R1.2 CCc1ccnc(c1)N TS71108 [0,1,0,0,0,0|1,0,0]=2 329 B9R1.2 CNc1cc(ccn1)Cl TS37689 [0,1,0,0,0,0|1,0,0]=2 330 B9R1.2 CNc1cc(ncn1)Cl TS55580 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.2 CNc1cccc(c1)Br TS48829 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.2 CNc1cccc(c1)Cl TS37535 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.2 CNc1cccc(c1)F TS70598 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.2 CNc1cccc(n1)Cl TS94212 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.2 CNc1ccnc(n1)Cl TS40122 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.2 CNc1ccnc(n1)N TS05024 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.2 CNc1nccc(n1)Cl TS59613 [0,1,0,0,0,0|2,0,0]=3 338 B9R1.2 COc1cc(=O)[nH]nc1 TS85110 [0,1,0,0,0,0|2,0,1]=4 339 B9R1.2 COc1cc(ccn1)Cl TS03053 [0,1,0,0,0,0|1,0,0]=2 340 B9R1.2 COc1cc(ccn1)F TS05258 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.2 COc1cc(ccn1)I TS71184 [0,1,0,0,0,0|1,0,0]=2 342 B9R1.2 COc1cc(ccn1)N TS02966 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.2 COc1cc(cnc1)Br TS65932 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.2 COc1cc(cnc1)Cl TS06905 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.2 COc1cc(cnc1)I TS25666 [0,1,0,0,0,0|3,0,0]=4 346 B9R1.2 COc1cc(cnc1)N TS55470 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.2 COc1cc(cnc1)N TS89352 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.2 COc1cc(cnc1)O TS55469 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.2 COc1cc(ncn1)Cl TS09662 [0,1,0,0,0,0|2,0,0]=3 350 B9R1.2 COc1cc(ncn1)I TS71191 [0,1,0,0,0,0|2,0,0]=3 351 B9R1.2 COc1cc(ncn1)N TS70903 [0,1,0,0,0,0|2,0,0]=3 352 B9R1.2 COc1cc(nnc1)Cl TS89964 [0,1,0,0,0,0|2,0,0]=3 353 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [0,1,0,0,0,0|1,0,1]=3 354 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.2 COc1cccc(c1)Br TS00028 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.2 COc1cccc(c1)Cl TS37686 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.2 COc1cccc(c1)F TS70591 [0,1,0,0,0,0|2,0,0]=3 358 B9R1.2 COc1cccc(c1)I TS39445 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.2 COc1cccc(c1)N TS02081 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.2 COc1cccc(c1)N TS11191 [0,1,0,0,0,0|2,0,0]=3 361 B9R1.2 COc1cccc(c1)O TS39714 [0,1,0,0,0,0|2,0,0]=3 362 B9R1.2 COc1cccc(c1)S TS70650 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.2 COc1cccc(n1)Br TS08366 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.2 COc1cccc(n1)Cl TS55270 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.2 COc1cccc(n1)I TS56597 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.2 COc1cccc(n1)O TS05074 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.2 COc1ccnc(c1)Br TS08328 [0,1,0,0,0,0|1,0,0]=2 369 B9R1.2 COc1ccnc(c1)Cl TS55226 [0,1,0,0,0,0|1,0,0]=2 370 B9R1.2 COc1ccnc(c1)N TS47406 [0,1,0,0,0,0|1,0,0]=2 371 B9R1.2 COc1ccnc(n1)Cl TS55227 [0,1,0,0,0,0|2,0,0]=3 372 B9R1.2 COc1ccnc(n1)I TS01070 [0,1,0,0,0,0|2,0,0]=3 373 B9R1.2 COc1ccnc(n1)N TS47407 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.2 COc1nccc(n1)Cl TS40269 [0,1,0,0,0,0|2,0,0]=3 375 B9R1.2 COc1nccc(n1)N TS90234 [0,1,0,0,0,0|2,0,0]=3 376 B9R1.2 CSc1[nH]c(=O)ccn1 TS89161 [0,1,0,0,0,0|2,0,0]=3 377 B9R1.2 CSc1cc(ncn1)Cl TS09667 [0,1,0,0,0,0|2,0,0]=3 378 B9R1.2 CSc1cccc(c1)Br TS60340 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.2 CSc1cccc(c1)Cl TS42003 [0,1,0,0,0,0|2,0,0]=3 380 B9R1.2 CSc1cccc(c1)F TS60012 [0,1,0,0,0,0|2,0,0]=3 381 B9R1.2 CSc1cccc(c1)I TS27987 [0,1,0,0,0,0|2,0,0]=3 382 B9R1.2 CSc1cccc(c1)N TS02674 [0,1,0,0,0,0|2,0,0]=3 383 B9R1.2 CSc1ccnc(c1)Cl TS11198 [0,1,0,0,0,0|1,0,0]=2 384 B9R1.2 CSc1ccnc(n1)Cl TS11338 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.2 CSc1nccc(n1)Cl TS71017 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.2 CSc1nccc(n1)I TS71187 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.2 CSc1nccc(n1)N TS37508 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.2 CSc1nccc(n1)O TS65608 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.2 Cc1cc(ccn1)C#N TS04726 [0,1,0,0,0,0|0,0,1]=2 390 B9R1.2 Cc1cc(ccn1)C=O TS02448 [0,1,0,0,0,0|0,0,1]=2 391 B9R1.2 Cc1cc(cnc1)C#N TS46458 [0,1,0,0,0,0|2,0,1]=4 392 B9R1.2 Cc1cc(cnc1)C=O TS01158 [0,1,0,0,0,0|2,0,1]=4 393 B9R1.2 Cc1cc(cnc1)CCl TS46377 [0,1,0,0,0,0|2,0,0]=3 394 B9R1.2 Cc1cc(cnc1)CO TS04972 [0,1,0,0,0,0|2,0,0]=3 395 B9R1.2 Cc1cc(cnc1)OC TS04960 [0,1,0,0,0,0|2,0,0]=3 396 B9R1.2 Cc1cc(ncn1)CO TS85804 [0,1,0,0,0,0|1,0,0]=2 397 B9R1.2 Cc1cc(nnc1)C#N TS85855 [0,1,0,0,0,0|1,0,1]=3 398 B9R1.2 Cc1cc(nnc1)CN TS92511 [0,1,0,0,0,0|1,0,0]=2 399 B9R1.2 Cc1cccc(c1)C#C TS32229 [0,1,0,0,0,0|1,0,1]=3 400 B9R1.2 Cc1cccc(c1)C#N TS02843 [0,1,0,0,0,0|1,0,1]=3 401 B9R1.2 Cc1cccc(c1)C=C TS70680 [0,1,0,0,0,0|1,0,1]=3 402 B9R1.2 Cc1cccc(c1)CBr TS00037 [0,1,0,0,0,0|1,0,0]=2 403 B9R1.2 Cc1cccc(c1)CCl TS37460 [0,1,0,0,0,0|1,0,0]=2 404 B9R1.2 Cc1cccc(c1)CN TS04866 [0,1,0,0,0,0|1,0,0]=2 405 B9R1.2 Cc1cccc(c1)CO TS04903 [0,1,0,0,0,0|1,0,0]=2 406 B9R1.2 Cc1cccc(c1)CS TS06306 [0,1,0,0,0,0|1,0,0]=2 407 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [0,1,0,0,0,0|1,0,0]=2 408 B9R1.2 Cc1cccc(c1)NC TS32467 [0,1,0,0,0,0|1,0,0]=2 409 B9R1.2 Cc1cccc(c1)NN TS04918 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.2 Cc1cccc(c1)NN TS41997 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.2 Cc1cccc(c1)OC TS32509 [0,1,0,0,0,0|1,0,0]=2 412 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [0,1,0,0,0,0|2,0,0]=3 413 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.2 Cc1cccc(n1)C#N TS55295 [0,1,0,0,0,0|2,0,1]=4 415 B9R1.2 Cc1cccc(n1)C=C TS04794 [0,1,0,0,0,0|2,0,1]=4 416 B9R1.2 Cc1cccc(n1)C=O TS85261 [0,1,0,0,0,0|2,0,1]=4 417 B9R1.2 Cc1cccc(n1)CBr TS30360 [0,1,0,0,0,0|2,0,0]=3 418 B9R1.2 Cc1cccc(n1)CBr TS48832 [0,1,0,0,0,0|2,0,0]=3 419 B9R1.2 Cc1cccc(n1)CCl TS46378 [0,1,0,0,0,0|2,0,0]=3 420 B9R1.2 Cc1cccc(n1)CN TS01962 [0,1,0,0,0,0|2,0,0]=3 421 B9R1.2 Cc1cccc(n1)CO TS04961 [0,1,0,0,0,0|2,0,0]=3 422 B9R1.2 Cc1cccc(n1)OC TS00087 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.2 Cc1ccnc(c1)C#N TS55293 [0,1,0,0,0,0|0,0,1]=2 424 B9R1.2 Cc1ccnc(c1)C=O TS03178 [0,1,0,0,0,0|0,0,1]=2 425 B9R1.2 Cc1ccnc(c1)CN TS04912 [0,1,0,0,0,0|0,0,0]=1 426 B9R1.2 Cc1ccnc(c1)OC TS04955 [0,1,0,0,0,0|0,0,0]=1 427 B9R1.2 Cc1ccnc(n1)C#N TS91306 [0,1,0,0,0,0|1,0,1]=3 428 B9R1.2 Cc1ccnc(n1)C=O TS90032 [0,1,0,0,0,0|1,0,1]=3 429 B9R1.2 Cc1ccnc(n1)CCl TS89308 [0,1,0,0,0,0|1,0,0]=2 430 B9R1.2 Cc1ccnc(n1)CN TS87070 [0,1,0,0,0,0|1,0,0]=2 431 B9R1.2 Cc1ccnc(n1)CO TS89016 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.2 Cc1ccnc(n1)SC TS85152 [0,1,0,0,0,0|1,0,0]=2 433 B9R1.2 Cc1nccc(n1)C=O TS02450 [0,1,0,0,0,0|1,0,1]=3 434 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [0,1,0,0,0,0|2,0,1]=4 435 B9R1.2 c1c(=O)[nH]cnc1NN TS71157 [0,1,0,0,0,0|3,0,0]=4 436 B9R1.2 c1c([nH]cnc1=O)CN TS92245 [0,1,0,0,0,0|2,0,0]=3 437 B9R1.2 c1c(cncc1Br)CCl TS26941 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.2 c1c(cncc1Br)CN TS49021 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.2 c1c(cncc1Br)CO TS16995 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.2 c1c(cncc1Cl)CCl TS91325 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.2 c1c(cncc1Cl)CO TS08050 [0,1,0,0,0,0|3,0,0]=4 442 B9R1.2 c1c(cncc1F)CCl TS91777 [0,1,0,0,0,0|3,0,0]=4 443 B9R1.2 c1c(cncc1F)CN TS90364 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.2 c1c(cncc1F)CO TS86069 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.2 c1c(cncc1I)CCl TS58052 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.2 c1c(cncc1I)CO TS56598 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.2 c1c(cncc1N)CO TS32612 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.2 c1c(ncnc1Cl)CO TS85870 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.2 c1c(ncnc1Cl)NN TS09660 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.2 c1c(ncnc1N)CN TS90583 [0,1,0,0,0,0|2,0,0]=3 451 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [0,1,0,0,0,0|1,0,1]=3 452 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [0,1,0,0,0,0|1,0,1]=3 453 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [0,1,0,0,0,0|2,0,1]=4 454 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [0,1,0,0,0,0|2,0,1]=4 455 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [0,1,0,0,0,0|2,0,0]=3 456 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [0,1,0,0,0,0|2,0,0]=3 457 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [0,1,0,0,0,0|2,0,0]=3 458 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [0,1,0,0,0,0|2,0,0]=3 460 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [0,1,0,0,0,0|2,0,0]=3 461 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [0,1,0,0,0,0|2,0,1]=4 463 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [0,1,0,0,0,0|2,0,1]=4 464 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [0,1,0,0,0,0|2,0,0]=3 465 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [0,1,0,0,0,0|2,0,0]=3 466 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [0,1,0,0,0,0|2,0,0]=3 467 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [0,1,0,0,0,0|3,0,0]=4 469 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [0,1,0,0,0,0|2,0,1]=4 470 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [0,1,0,0,0,0|2,0,1]=4 471 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.2 c1cc(cc(c1)F)CN TS39435 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.2 c1cc(cc(c1)F)CO TS39434 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.2 c1cc(cc(c1)F)CS TS06688 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [0,1,0,0,0,0|2,0,1]=4 477 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [0,1,0,0,0,0|2,0,1]=4 478 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [0,1,0,0,0,0|2,0,0]=3 479 B9R1.2 c1cc(cc(c1)I)CN TS53419 [0,1,0,0,0,0|2,0,0]=3 480 B9R1.2 c1cc(cc(c1)I)CN TS73918 [0,1,0,0,0,0|2,0,0]=3 481 B9R1.2 c1cc(cc(c1)I)CO TS53549 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [0,1,0,0,0,0|2,0,1]=4 483 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [0,1,0,0,0,0|2,0,1]=4 484 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [0,1,0,0,0,0|2,0,1]=4 485 B9R1.2 c1cc(cc(c1)N)CN TS32516 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.2 c1cc(cc(c1)N)CO TS59603 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [0,1,0,0,0,0|2,0,1]=4 488 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [0,1,0,0,0,0|2,0,1]=4 489 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [0,1,0,0,0,0|2,0,0]=3 490 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.2 c1cc(cc(c1)O)CO TS32602 [0,1,0,0,0,0|2,0,0]=3 492 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [0,1,0,0,0,0|2,0,1]=4 494 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.2 c1cc(nc(c1)I)CO TS25668 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.2 c1cnc(cc1Br)C#N TS71010 [0,1,0,0,0,0|1,0,1]=3 503 B9R1.2 c1cnc(cc1Br)C=O TS71011 [0,1,0,0,0,0|1,0,1]=3 504 B9R1.2 c1cnc(cc1Br)CN TS39553 [0,1,0,0,0,0|1,0,0]=2 505 B9R1.2 c1cnc(cc1Br)CN TS87352 [0,1,0,0,0,0|1,0,0]=2 506 B9R1.2 c1cnc(cc1Br)CO TS08030 [0,1,0,0,0,0|1,0,0]=2 507 B9R1.2 c1cnc(cc1C#N)Br TS00848 [0,1,0,0,0,0|1,0,1]=3 508 B9R1.2 c1cnc(cc1C#N)Cl TS00881 [0,1,0,0,0,0|1,0,1]=3 509 B9R1.2 c1cnc(cc1C#N)F TS09016 [0,1,0,0,0,0|1,0,1]=3 510 B9R1.2 c1cnc(cc1C#N)N TS85411 [0,1,0,0,0,0|1,0,1]=3 511 B9R1.2 c1cnc(cc1C#N)O TS32412 [0,1,0,0,0,0|1,0,1]=3 512 B9R1.2 c1cnc(cc1C=O)Br TS00862 [0,1,0,0,0,0|1,0,1]=3 513 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [0,1,0,0,0,0|1,0,1]=3 514 B9R1.2 c1cnc(cc1C=O)F TS01027 [0,1,0,0,0,0|1,0,1]=3 515 B9R1.2 c1cnc(cc1C=O)N TS32497 [0,1,0,0,0,0|1,0,1]=3 516 B9R1.2 c1cnc(cc1C=O)O TS55404 [0,1,0,0,0,0|1,0,1]=3 517 B9R1.2 c1cnc(cc1CCl)N TS37692 [0,1,0,0,0,0|1,0,0]=2 518 B9R1.2 c1cnc(cc1CN)Cl TS06803 [0,1,0,0,0,0|1,0,0]=2 519 B9R1.2 c1cnc(cc1CN)N TS03001 [0,1,0,0,0,0|1,0,0]=2 520 B9R1.2 c1cnc(cc1CO)Br TS00864 [0,1,0,0,0,0|1,0,0]=2 521 B9R1.2 c1cnc(cc1CO)Cl TS46504 [0,1,0,0,0,0|1,0,0]=2 522 B9R1.2 c1cnc(cc1CO)F TS36210 [0,1,0,0,0,0|1,0,0]=2 523 B9R1.2 c1cnc(cc1CO)N TS00819 [0,1,0,0,0,0|1,0,0]=2 524 B9R1.2 c1cnc(cc1Cl)C#N TS09690 [0,1,0,0,0,0|1,0,1]=3 525 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [0,1,0,0,0,0|1,0,1]=3 526 B9R1.2 c1cnc(cc1Cl)CN TS37691 [0,1,0,0,0,0|1,0,0]=2 527 B9R1.2 c1cnc(cc1Cl)CN TS44724 [0,1,0,0,0,0|1,0,0]=2 528 B9R1.2 c1cnc(cc1Cl)CO TS08035 [0,1,0,0,0,0|1,0,0]=2 529 B9R1.2 c1cnc(cc1Cl)NN TS94440 [0,1,0,0,0,0|2,0,0]=3 530 B9R1.2 c1cnc(cc1F)C#N TS04891 [0,1,0,0,0,0|1,0,1]=3 531 B9R1.2 c1cnc(cc1N)C#N TS32398 [0,1,0,0,0,0|1,0,1]=3 532 B9R1.2 c1cnc(cc1NN)Cl TS55218 [0,1,0,0,0,0|2,0,0]=3 533 B9R1.2 c1cnc(nc1Br)C#N TS94330 [0,1,0,0,0,0|2,0,1]=4 534 B9R1.2 c1cnc(nc1C#N)Cl TS37310 [0,1,0,0,0,0|2,0,1]=4 535 B9R1.2 c1cnc(nc1C=O)Cl TS87068 [0,1,0,0,0,0|2,0,1]=4 536 B9R1.2 c1cnc(nc1CN)O TS88742 [0,1,0,0,0,0|2,0,0]=3 537 B9R1.2 c1cnc(nc1N)CCl TS01826 [0,1,0,0,0,0|2,0,0]=3 538 B9R1.2 c1cnc(nc1NN)Cl TS55219 [0,1,0,0,0,0|3,0,0]=4 539 B9R1.2 c1cnc(nc1NN)O TS55389 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.3 Cc1c([nH]cnc1=O)O TS55604 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.3 Cc1c(c(=O)cc[nH]1)O TS05073 [0,1,0,0,0,0|1,0,1]=3 542 B9R1.3 Cc1c(c(=O)cco1)O TS05135 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.3 Cc1c(c(=O)nc[nH]1)Cl TS40271 [0,1,0,0,0,0|2,0,0]=3 544 B9R1.3 Cc1c(c(ccn1)Cl)Cl TS02536 [0,1,0,0,0,0|1,0,0]=2 545 B9R1.3 Cc1c(c(ccn1)N)Cl TS06807 [0,1,0,0,0,0|1,0,0]=2 546 B9R1.3 Cc1c(c(ccn1)N)N TS02446 [0,1,0,0,0,0|1,0,0]=2 547 B9R1.3 Cc1c(c(ncn1)C)Br TS89568 [0,1,0,0,0,0|1,0,0]=2 548 B9R1.3 Cc1c(c(ncn1)C)N TS32566 [0,1,0,0,0,0|1,0,0]=2 549 B9R1.3 Cc1c(c(ncn1)C)O TS05019 [0,1,0,0,0,0|1,0,0]=2 550 B9R1.3 Cc1c(c(ncn1)N)Cl TS03276 [0,1,0,0,0,0|2,0,0]=3 551 B9R1.3 Cc1c(c(ncn1)N)I TS25673 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.3 Cc1c(c(ncn1)O)F TS94915 [0,1,0,0,0,0|2,0,0]=3 553 B9R1.3 Cc1c(cccc1Br)Br TS00700 [0,1,0,0,0,0|3,0,0]=4 554 B9R1.3 Cc1c(cccc1Br)Cl TS20047 [0,1,0,0,0,0|3,0,0]=4 555 B9R1.3 Cc1c(cccc1Br)F TS08362 [0,1,0,0,0,0|3,0,0]=4 556 B9R1.3 Cc1c(cccc1Br)N TS00799 [0,1,0,0,0,0|3,0,0]=4 557 B9R1.3 Cc1c(cccc1Cl)Cl TS11353 [0,1,0,0,0,0|3,0,0]=4 558 B9R1.3 Cc1c(cccc1Cl)F TS02142 [0,1,0,0,0,0|3,0,0]=4 559 B9R1.3 Cc1c(cccc1Cl)N TS00137 [0,1,0,0,0,0|3,0,0]=4 560 B9R1.3 Cc1c(cccc1Cl)N TS46375 [0,1,0,0,0,0|3,0,0]=4 561 B9R1.3 Cc1c(cccc1F)F TS47312 [0,1,0,0,0,0|3,0,0]=4 562 B9R1.3 Cc1c(cccc1F)N TS70570 [0,1,0,0,0,0|3,0,0]=4 563 B9R1.3 Cc1c(cccc1F)O TS70572 [0,1,0,0,0,0|3,0,0]=4 564 B9R1.3 Cc1c(cccc1I)Cl TS65405 [0,1,0,0,0,0|3,0,0]=4 565 B9R1.3 Cc1c(cccc1I)F TS60285 [0,1,0,0,0,0|3,0,0]=4 566 B9R1.3 Cc1c(cccc1N)N TS32518 [0,1,0,0,0,0|3,0,0]=4 567 B9R1.3 Cc1c(cccc1O)N TS02637 [0,1,0,0,0,0|3,0,0]=4 568 B9R1.3 Cc1c(cccc1O)O TS32599 [0,1,0,0,0,0|3,0,0]=4 569 B9R1.3 Cc1c(ccnc1Cl)Br TS16933 [0,1,0,0,0,0|2,0,0]=3 570 B9R1.3 Cc1c(ccnc1Cl)Cl TS00615 [0,1,0,0,0,0|2,0,0]=3 571 B9R1.3 Cc1c(ccnc1Cl)I TS07713 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.3 Cc1c(ccnc1F)Br TS16272 [0,1,0,0,0,0|2,0,0]=3 573 B9R1.3 Cc1c(nccc1N)C TS32511 [0,1,0,0,0,0|1,0,0]=2 574 B9R1.3 Cc1c(ncnc1Cl)Cl TS70834 [0,1,0,0,0,0|3,0,0]=4 575 B9R1.3 Cc1c(ncnc1Cl)N TS08428 [0,1,0,0,0,0|3,0,0]=4 576 B9R1.3 Cc1c(ncnc1F)N TS70902 [0,1,0,0,0,0|3,0,0]=4 577 B9R1.3 Cc1c(ncnc1O)C TS32615 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.3 Cc1c(ncnc1O)O TS05142 [0,1,0,0,0,0|3,0,0]=4 579 B9R1.3 Cc1cccc([n+]1[O-])N TS05012 [0,1,0,0,0,0|3,0,0]=4 580 B9R1.3 Cc1cccc(c1Br)C TS47327 [0,1,0,0,0,0|1,0,0]=2 581 B9R1.3 Cc1cccc(c1Br)Cl TS01772 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.3 Cc1cccc(c1Br)F TS09120 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.3 Cc1cccc(c1C)Br TS65899 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.3 Cc1cccc(c1C)C TS07872 [0,1,0,0,0,0|1,0,0]=2 585 B9R1.3 Cc1cccc(c1C)Cl TS65291 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.3 Cc1cccc(c1C)F TS65316 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.3 Cc1cccc(c1C)I TS25160 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.3 Cc1cccc(c1C)N TS07902 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.3 Cc1cccc(c1C)N TS10929 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.3 Cc1cccc(c1C)O TS07901 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.3 Cc1cccc(c1C)S TS06305 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.3 Cc1cccc(c1Cl)Br TS20048 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.3 Cc1cccc(c1Cl)C TS37458 [0,1,0,0,0,0|1,0,0]=2 595 B9R1.3 Cc1cccc(c1Cl)Cl TS11355 [0,1,0,0,0,0|2,0,0]=3 596 B9R1.3 Cc1cccc(c1F)Br TS65480 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.3 Cc1cccc(c1F)C TS09256 [0,1,0,0,0,0|1,0,0]=2 598 B9R1.3 Cc1cccc(c1F)Cl TS22994 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.3 Cc1cccc(c1F)I TS65047 [0,1,0,0,0,0|2,0,0]=3 600 B9R1.3 Cc1cccc(c1F)N TS02631 [0,1,0,0,0,0|2,0,0]=3 601 B9R1.3 Cc1cccc(c1F)O TS08401 [0,1,0,0,0,0|2,0,0]=3 602 B9R1.3 Cc1cccc(c1I)C TS53266 [0,1,0,0,0,0|1,0,0]=2 603 B9R1.3 Cc1cccc(c1I)Cl TS65975 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.3 Cc1cccc(c1I)F TS70566 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.3 Cc1cccc(c1N)Br TS48835 [0,1,0,0,0,0|2,0,0]=3 606 B9R1.3 Cc1cccc(c1N)Cl TS00930 [0,1,0,0,0,0|2,0,0]=3 607 B9R1.3 Cc1cccc(c1N)F TS55366 [0,1,0,0,0,0|2,0,0]=3 608 B9R1.3 Cc1cccc(c1N)N TS00551 [0,1,0,0,0,0|2,0,0]=3 609 B9R1.3 Cc1cccc(c1N)O TS47377 [0,1,0,0,0,0|2,0,0]=3 610 B9R1.3 Cc1cccc(c1O)C TS04899 [0,1,0,0,0,0|1,0,0]=2 611 B9R1.3 Cc1cccc(c1O)Cl TS37681 [0,1,0,0,0,0|2,0,0]=3 612 B9R1.3 Cc1cccc(c1O)N TS55527 [0,1,0,0,0,0|2,0,0]=3 613 B9R1.3 Cc1cccc(c1O)O TS32601 [0,1,0,0,0,0|2,0,0]=3 614 B9R1.3 Cc1cccc(c1S)C TS06310 [0,1,0,0,0,0|1,0,0]=2 615 B9R1.3 Cc1cccc(n1=O)C TS04973 [0,1,0,0,0,0|2,0,0]=3 616 B9R1.3 Cc1cccn(=O)c1C TS04975 [0,1,0,0,0,0|3,0,0]=4 617 B9R1.3 Cc1ccnc(c1Br)Br TS28128 [0,1,0,0,0,0|1,0,0]=2 618 B9R1.3 Cc1ccnc(c1Br)Cl TS22883 [0,1,0,0,0,0|1,0,0]=2 619 B9R1.3 Cc1ccnc(c1Br)F TS16861 [0,1,0,0,0,0|1,0,0]=2 620 B9R1.3 Cc1ccnc(c1Br)N TS08277 [0,1,0,0,0,0|1,0,0]=2 621 B9R1.3 Cc1ccnc(c1Br)O TS15903 [0,1,0,0,0,0|1,0,0]=2 622 B9R1.3 Cc1ccnc(c1Cl)Br TS39095 [0,1,0,0,0,0|1,0,0]=2 623 B9R1.3 Cc1ccnc(c1Cl)Cl TS11470 [0,1,0,0,0,0|1,0,0]=2 624 B9R1.3 Cc1ccnc(c1Cl)N TS06802 [0,1,0,0,0,0|1,0,0]=2 625 B9R1.3 Cc1ccnc(c1F)Br TS09119 [0,1,0,0,0,0|1,0,0]=2 626 B9R1.3 Cc1ccnc(c1F)Cl TS65041 [0,1,0,0,0,0|1,0,0]=2 627 B9R1.3 Cc1ccnc(c1I)Br TS07705 [0,1,0,0,0,0|1,0,0]=2 628 B9R1.3 Cc1ccnc(c1N)Br TS02619 [0,1,0,0,0,0|1,0,0]=2 629 B9R1.3 Cc1ccnc(c1N)Cl TS06798 [0,1,0,0,0,0|1,0,0]=2 630 B9R1.3 Cc1ccnc(c1N)F TS55344 [0,1,0,0,0,0|1,0,0]=2 631 B9R1.3 Cc1ccnc(c1N)N TS71234 [0,1,0,0,0,0|1,0,0]=2 632 B9R1.3 Cc1ccnc(c1O)Cl TS06902 [0,1,0,0,0,0|1,0,0]=2 633 B9R1.3 Cc1cncc(c1Br)C TS48834 [0,1,0,0,0,0|2,0,0]=3 634 B9R1.3 Cc1cncc(c1N)Br TS49015 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.3 Cc1cncc(c1N)C TS04913 [0,1,0,0,0,0|2,0,0]=3 636 B9R1.3 Cc1cncc(c1N)Cl TS06804 [0,1,0,0,0,0|3,0,0]=4 637 B9R1.3 Cc1cncc(c1N)I TS02986 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.3 Cc1cncc(c1O)F TS05257 [0,1,0,0,0,0|3,0,0]=4 639 B9R1.3 Cn1cccc(c1=O)Br TS91255 [0,1,0,0,0,0|3,0,0]=4 640 B9R1.3 Cn1cccc(c1=O)N TS86768 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.3 c1[nH]c(=O)c(c(n1)N)Br TS51000 [0,1,0,0,0,0|3,0,0]=4 642 B9R1.3 c1c(c(c(nn1)Cl)Cl)Cl TS65739 [0,1,0,0,0,0|3,0,0]=4 643 B9R1.3 c1cc(c(c(c1)Br)Br)Br TS76732 [0,1,0,0,0,0|3,0,0]=4 644 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [0,1,0,0,0,0|3,0,0]=4 645 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl TS46906 [0,1,0,0,0,0|3,0,0]=4 646 B9R1.3 c1cc(c(c(c1)Br)Cl)F TS09267 [0,1,0,0,0,0|3,0,0]=4 647 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [0,1,0,0,0,0|3,0,0]=4 648 B9R1.3 c1cc(c(c(c1)Br)F)Cl TS65970 [0,1,0,0,0,0|3,0,0]=4 649 B9R1.3 c1cc(c(c(c1)Br)F)F TS46907 [0,1,0,0,0,0|3,0,0]=4 650 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [0,1,0,0,0,0|3,0,0]=4 651 B9R1.3 c1cc(c(c(c1)Br)N)Br TS00693 [0,1,0,0,0,0|3,0,0]=4 652 B9R1.3 c1cc(c(c(c1)Br)N)Cl TS39091 [0,1,0,0,0,0|3,0,0]=4 653 B9R1.3 c1cc(c(c(c1)Br)N)F TS55143 [0,1,0,0,0,0|3,0,0]=4 654 B9R1.3 c1cc(c(c(c1)Br)N)N TS49020 [0,1,0,0,0,0|3,0,0]=4 655 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [0,1,0,0,0,0|3,0,0]=4 656 B9R1.3 c1cc(c(c(c1)Br)O)Br TS00698 [0,1,0,0,0,0|3,0,0]=4 657 B9R1.3 c1cc(c(c(c1)Br)O)F TS60270 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.3 c1cc(c(c(c1)Br)O)N TS00797 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl TS46911 [0,1,0,0,0,0|3,0,0]=4 660 B9R1.3 c1cc(c(c(c1)Cl)Br)F TS55256 [0,1,0,0,0,0|3,0,0]=4 661 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [0,1,0,0,0,0|3,0,0]=4 662 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl TS48138 [0,1,0,0,0,0|3,0,0]=4 663 B9R1.3 c1cc(c(c(c1)Cl)Cl)F TS02330 [0,1,0,0,0,0|3,0,0]=4 664 B9R1.3 c1cc(c(c(c1)Cl)Cl)N TS11474 [0,1,0,0,0,0|3,0,0]=4 665 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [0,1,0,0,0,0|3,0,0]=4 666 B9R1.3 c1cc(c(c(c1)Cl)Cl)S TS14337 [0,1,0,0,0,0|3,0,0]=4 667 B9R1.3 c1cc(c(c(c1)Cl)F)Cl TS47301 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.3 c1cc(c(c(c1)Cl)F)F TS65290 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.3 c1cc(c(c(c1)Cl)F)N TS65967 [0,1,0,0,0,0|3,0,0]=4 670 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [0,1,0,0,0,0|3,0,0]=4 671 B9R1.3 c1cc(c(c(c1)Cl)I)Cl TS59885 [0,1,0,0,0,0|3,0,0]=4 672 B9R1.3 c1cc(c(c(c1)Cl)I)N TS28513 [0,1,0,0,0,0|3,0,0]=4 673 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [0,1,0,0,0,0|3,0,0]=4 674 B9R1.3 c1cc(c(c(c1)Cl)N)Cl TS47295 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.3 c1cc(c(c(c1)Cl)N)F TS55254 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.3 c1cc(c(c(c1)Cl)N)S TS11196 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.3 c1cc(c(c(c1)Cl)O)Cl TS11645 [0,1,0,0,0,0|3,0,0]=4 678 B9R1.3 c1cc(c(c(c1)Cl)O)F TS55258 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.3 c1cc(c(c(c1)Cl)S)Cl TS47674 [0,1,0,0,0,0|3,0,0]=4 680 B9R1.3 c1cc(c(c(c1)F)Br)F TS55067 [0,1,0,0,0,0|3,0,0]=4 681 B9R1.3 c1cc(c(c(c1)F)Br)N TS08301 [0,1,0,0,0,0|3,0,0]=4 682 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [0,1,0,0,0,0|3,0,0]=4 683 B9R1.3 c1cc(c(c(c1)F)Cl)F TS85137 [0,1,0,0,0,0|3,0,0]=4 684 B9R1.3 c1cc(c(c(c1)F)Cl)N TS08397 [0,1,0,0,0,0|3,0,0]=4 685 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [0,1,0,0,0,0|3,0,0]=4 686 B9R1.3 c1cc(c(c(c1)F)F)F TS05699 [0,1,0,0,0,0|3,0,0]=4 687 B9R1.3 c1cc(c(c(c1)F)F)N TS44666 [0,1,0,0,0,0|3,0,0]=4 688 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [0,1,0,0,0,0|3,0,0]=4 689 B9R1.3 c1cc(c(c(c1)F)I)F TS26442 [0,1,0,0,0,0|3,0,0]=4 690 B9R1.3 c1cc(c(c(c1)F)I)N TS09364 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [0,1,0,0,0,0|3,0,0]=4 692 B9R1.3 c1cc(c(c(c1)F)N)F TS34648 [0,1,0,0,0,0|3,0,0]=4 693 B9R1.3 c1cc(c(c(c1)F)O)F TS47306 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.3 c1cc(c(c(c1)F)O)N TS01226 [0,1,0,0,0,0|3,0,0]=4 695 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [0,1,0,0,0,0|3,0,0]=4 696 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.3 c1cc(c(c(c1)I)F)Cl TS65485 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.3 c1cc(c(c(c1)I)N)Cl TS28514 [0,1,0,0,0,0|3,0,0]=4 701 B9R1.3 c1cc(c(c(c1)I)N)F TS25993 [0,1,0,0,0,0|3,0,0]=4 702 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.3 c1cc(c(c(c1)I)O)F TS57023 [0,1,0,0,0,0|3,0,0]=4 704 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [0,1,0,0,0,0|3,0,0]=4 705 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [0,1,0,0,0,0|3,0,0]=4 706 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.3 c1cnc([n+](c1N)[O-])N TS36107 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.3 c1cnc(c(c1Br)N)Br TS63066 [0,1,0,0,0,0|2,0,0]=3 714 B9R1.3 c1cnc(c(c1Br)N)N TS91320 [0,1,0,0,0,0|2,0,0]=3 715 B9R1.3 c1cnc(c(c1Br)O)N TS73944 [0,1,0,0,0,0|2,0,0]=3 716 B9R1.3 c1cnc(c(c1Cl)Cl)N TS11649 [0,1,0,0,0,0|2,0,0]=3 717 B9R1.3 c1cnc(c(c1Cl)F)F TS40791 [0,1,0,0,0,0|2,0,0]=3 718 B9R1.3 c1cnc(c(c1Cl)I)Cl TS85395 [0,1,0,0,0,0|2,0,0]=3 719 B9R1.3 c1cnc(c(c1Cl)I)N TS28682 [0,1,0,0,0,0|2,0,0]=3 720 B9R1.3 c1cnc(c(c1Cl)N)Cl TS65839 [0,1,0,0,0,0|2,0,0]=3 721 B9R1.3 c1cnc(c(c1Cl)N)N TS90107 [0,1,0,0,0,0|2,0,0]=3 722 B9R1.3 c1cnc(c(c1I)Br)Cl TS61410 [0,1,0,0,0,0|2,0,0]=3 723 B9R1.3 c1cnc(c(c1I)Br)F TS65079 [0,1,0,0,0,0|2,0,0]=3 724 B9R1.3 c1cnc(c(c1I)Cl)Cl TS85393 [0,1,0,0,0,0|2,0,0]=3 725 B9R1.3 c1cnc(c(c1I)F)Cl TS08394 [0,1,0,0,0,0|2,0,0]=3 726 B9R1.3 c1cnc(c(c1I)F)F TS57486 [0,1,0,0,0,0|2,0,0]=3 727 B9R1.3 c1cnc(c(c1I)I)F TS64660 [0,1,0,0,0,0|2,0,0]=3 728 B9R1.3 c1cnc(c(c1N)Br)Cl TS43337 [0,1,0,0,0,0|2,0,0]=3 729 B9R1.3 c1cnc(c(c1N)Br)O TS16114 [0,1,0,0,0,0|2,0,0]=3 730 B9R1.3 c1cnc(c(c1N)Cl)O TS70878 [0,1,0,0,0,0|2,0,0]=3 731 B9R1.3 c1cnc(c(c1N)N)Br TS85763 [0,1,0,0,0,0|2,0,0]=3 732 B9R1.3 c1cnc(c(c1N)N)Cl TS08389 [0,1,0,0,0,0|2,0,0]=3 733 B9R1.3 c1cnc(c(c1N)N)N TS59370 [0,1,0,0,0,0|2,0,0]=3 734 B9R1.3 c1cnc(c(c1N)N)O TS02527 [0,1,0,0,0,0|2,0,0]=3 735 B9R1.3 c1nc(c(c(n1)Cl)Br)Cl TS16997 [0,1,0,0,0,0|3,0,0]=4 736 B9R1.3 c1nc(c(c(n1)Cl)Cl)Cl TS70818 [0,1,0,0,0,0|3,0,0]=4 737 B9R1.3 c1nc(c(c(n1)Cl)Cl)N TS02979 [0,1,0,0,0,0|3,0,0]=4 738 B9R1.3 c1nc(c(c(n1)Cl)F)Cl TS87714 [0,1,0,0,0,0|3,0,0]=4 739 B9R1.3 c1nc(c(c(n1)Cl)N)Cl TS03234 [0,1,0,0,0,0|3,0,0]=4 740 B9R1.3 c1nc(c(c(n1)Cl)N)N TS55577 [0,1,0,0,0,0|3,0,0]=4 741 B9R1.3 c1nc(c(c(n1)F)F)F TS70819 [0,1,0,0,0,0|3,0,0]=4 742 B9R1.3 c1nc(c(c(n1)I)N)I TS64565 [0,1,0,0,0,0|3,0,0]=4 743 B9R1.3 c1nc(c(c(n1)N)N)N TS01665 [0,1,0,0,0,0|3,0,0]=4 744 B9R1.3 c1nc(c(c(n1)O)Br)O TS16998 [0,1,0,0,0,0|3,0,0]=4 745 B9R1.3 c1nc(c(c(n1)O)F)O TS89258 [0,1,0,0,0,0|3,0,0]=4 746 B9R1.3 c1nc(c(c(n1)O)N)N TS50439 [0,1,0,0,0,0|3,0,0]=4 747 B9R1.3 c1nc(c(c(n1)O)N)N TS70821 [0,1,0,0,0,0|3,0,0]=4 748 B9R1.3 c1nc(c(c(n1)O)N)O TS05246 [0,1,0,0,0,0|3,0,0]=4 749 B9R1.3 c1nc(c(c(n1)S)N)N TS06682 [0,1,0,0,0,0|3,0,0]=4 750 B9R1.34 CC1C=C(CC(=C1)C)C TS32529 [0,1,0,0,0,0|1,0,1]=3 751 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [0,1,0,0,0,0|1,0,2]=4 752 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 TS47226 [0,1,0,0,0,0|2,0,1]=4 753 B9R1.34 Cc1cc(=O)[nH]c(=S)[nH]1 TS37582 [0,1,0,0,0,0|2,0,1]=4 754 B9R1.34 Cc1cc(=O)cc(o1)C TS08800 [0,1,0,0,0,0|2,0,0]=3 755 B9R1.34 Cc1cc([nH]c(=O)c1)O TS91354 [0,1,0,0,0,0|1,0,1]=3 756 B9R1.34 Cc1cc([o+]c(c1)C)C TS43713 [0,1,0,0,0,0|1,0,0]=2 757 B9R1.34 Cc1cc(cc(=O)[nH]1)O TS05069 [0,1,0,0,0,0|1,0,1]=3 758 B9R1.34 Cc1cc(cc(=O)o1)O TS71159 [0,1,0,0,0,0|2,0,0]=3 759 B9R1.34 Cc1cc(cc(c1)Br)Br TS02581 [0,1,0,0,0,0|2,0,0]=3 760 B9R1.34 Cc1cc(cc(c1)Br)C TS39522 [0,1,0,0,0,0|1,0,0]=2 761 B9R1.34 Cc1cc(cc(c1)Br)F TS60338 [0,1,0,0,0,0|2,0,0]=3 762 B9R1.34 Cc1cc(cc(c1)Br)O TS60008 [0,1,0,0,0,0|2,0,0]=3 763 B9R1.34 Cc1cc(cc(c1)C)C TS04831 [0,1,0,0,0,0|1,0,0]=2 764 B9R1.34 Cc1cc(cc(c1)Cl)C TS37452 [0,1,0,0,0,0|1,0,0]=2 765 B9R1.34 Cc1cc(cc(c1)Cl)Cl TS02195 [0,1,0,0,0,0|2,0,0]=3 766 B9R1.34 Cc1cc(cc(c1)Cl)F TS40000 [0,1,0,0,0,0|2,0,0]=3 767 B9R1.34 Cc1cc(cc(c1)Cl)O TS65999 [0,1,0,0,0,0|2,0,0]=3 768 B9R1.34 Cc1cc(cc(c1)F)C TS65460 [0,1,0,0,0,0|1,0,0]=2 769 B9R1.34 Cc1cc(cc(c1)F)F TS02199 [0,1,0,0,0,0|2,0,0]=3 770 B9R1.34 Cc1cc(cc(c1)F)N TS36054 [0,1,0,0,0,0|2,0,0]=3 771 B9R1.34 Cc1cc(cc(c1)I)C TS32973 [0,1,0,0,0,0|1,0,0]=2 772 B9R1.34 Cc1cc(cc(c1)I)F TS09380 [0,1,0,0,0,0|2,0,0]=3 773 B9R1.34 Cc1cc(cc(c1)I)I TS78662 [0,1,0,0,0,0|2,0,0]=3 774 B9R1.34 Cc1cc(cc(c1)N)C TS00132 [0,1,0,0,0,0|1,0,0]=2 775 B9R1.34 Cc1cc(cc(c1)O)C TS00131 [0,1,0,0,0,0|1,0,0]=2 776 B9R1.34 Cc1cc(cc(c1)O)N TS65077 [0,1,0,0,0,0|2,0,0]=3 777 B9R1.34 Cc1cc(cc(c1)O)O TS93840 [0,1,0,0,0,0|2,0,0]=3 778 B9R1.34 Cc1cc(cc(c1)O)O TS93948 [0,1,0,0,0,0|2,0,0]=3 779 B9R1.34 Cc1cc(cc(c1)P)C TS37177 [0,1,0,0,0,0|1,0,0]=2 780 B9R1.34 Cc1cc(cc(c1)S)C TS06301 [0,1,0,0,0,0|1,0,0]=2 781 B9R1.34 Cc1cc(cc(n1)C)Br TS16926 [0,1,0,0,0,0|1,0,0]=2 782 B9R1.34 Cc1cc(cc(n1)C)Cl TS03036 [0,1,0,0,0,0|1,0,0]=2 783 B9R1.34 Cc1cc(cc(n1)C)I TS53417 [0,1,0,0,0,0|1,0,0]=2 784 B9R1.34 Cc1cc(cc(n1)C)O TS47320 [0,1,0,0,0,0|1,0,0]=2 785 B9R1.34 Cc1cc(cc(n1)Cl)Cl TS11471 [0,1,0,0,0,0|1,0,0]=2 786 B9R1.34 Cc1cc(cc(n1)F)I TS39275 [0,1,0,0,0,0|1,0,0]=2 787 B9R1.34 Cc1cc(cc(n1)O)O TS36049 [0,1,0,0,0,0|1,0,0]=2 788 B9R1.34 Cc1cc(cn(=O)c1)C TS04962 [0,1,0,0,0,0|2,0,0]=3 789 B9R1.34 Cc1cc(cn(=O)c1)F TS36213 [0,1,0,0,0,0|3,0,0]=4 790 B9R1.34 Cc1cc(nc(=S)[nH]1)C TS37402 [0,1,0,0,0,0|1,0,0]=2 791 B9R1.34 Cc1cc(nc(c1)Br)C TS55094 [0,1,0,0,0,0|0,0,0]=1 792 B9R1.34 Cc1cc(nc(c1)Br)Cl TS55139 [0,1,0,0,0,0|1,0,0]=2 793 B9R1.34 Cc1cc(nc(c1)Br)F TS16273 [0,1,0,0,0,0|1,0,0]=2 794 B9R1.34 Cc1cc(nc(c1)C)C TS32481 [0,1,0,0,0,0|0,0,0]=1 795 B9R1.34 Cc1cc(nc(c1)C)C TS37495 [0,1,0,0,0,0|0,0,0]=1 796 B9R1.34 Cc1cc(nc(c1)Cl)C TS07712 [0,1,0,0,0,0|0,0,0]=1 797 B9R1.34 Cc1cc(nc(c1)Cl)Cl TS11469 [0,1,0,0,0,0|1,0,0]=2 798 B9R1.34 Cc1cc(nc(c1)Cl)N TS85120 [0,1,0,0,0,0|1,0,0]=2 799 B9R1.34 Cc1cc(nc(c1)N)C TS47386 [0,1,0,0,0,0|0,0,0]=1 800 B9R1.34 Cc1cc(nc(c1)N)N TS85154 [0,1,0,0,0,0|1,0,0]=2 801 B9R1.34 Cc1cc(nc(n1)C)Br TS49017 [0,1,0,0,0,0|1,0,0]=2 802 B9R1.34 Cc1cc(nc(n1)C)Cl TS03037 [0,1,0,0,0,0|1,0,0]=2 803 B9R1.34 Cc1cc(nc(n1)C)O TS32610 [0,1,0,0,0,0|1,0,0]=2 804 B9R1.34 Cc1cc(nc(n1)Cl)C TS00879 [0,1,0,0,0,0|1,0,0]=2 805 B9R1.34 Cc1cc(nc(n1)Cl)N TS00937 [0,1,0,0,0,0|2,0,0]=3 806 B9R1.34 Cc1cc(nc(n1)N)C TS47387 [0,1,0,0,0,0|1,0,0]=2 807 B9R1.34 Cc1cc(nc(n1)N)Cl TS00741 [0,1,0,0,0,0|2,0,0]=3 808 B9R1.34 Cc1cc(nc(n1)N)O TS00807 [0,1,0,0,0,0|2,0,0]=3 809 B9R1.34 Cc1cc(nc(n1)S)C TS37398 [0,1,0,0,0,0|1,0,0]=2 810 B9R1.34 Cc1cc(nc(n1)S)O TS59737 [0,1,0,0,0,0|2,0,0]=3 811 B9R1.34 Cc1cc(oc(=O)c1)C TS32596 [0,1,0,0,0,0|1,0,0]=2 812 B9R1.34 Cc1nc(cc(n1)Cl)Cl TS70829 [0,1,0,0,0,0|2,0,0]=3 813 B9R1.34 Cc1nc(cc(n1)Cl)N TS70899 [0,1,0,0,0,0|2,0,0]=3 814 B9R1.34 Cc1nc(cc(n1)Cl)O TS40266 [0,1,0,0,0,0|2,0,0]=3 815 B9R1.34 Cc1nc(cc(n1)I)I TS02928 [0,1,0,0,0,0|2,0,0]=3 816 B9R1.34 Cc1nc(cc(n1)O)N TS05091 [0,1,0,0,0,0|2,0,0]=3 817 B9R1.34 Cc1nc(cc(n1)O)O TS32957 [0,1,0,0,0,0|2,0,0]=3 818 B9R1.34 Cc1nc(nc(n1)N)C TS37573 [0,1,0,0,0,0|2,0,0]=3 819 B9R1.34 Cc1nc(nc(n1)N)N TS36052 [0,1,0,0,0,0|3,0,0]=4 820 B9R1.34 Cc1nc(nc(n1)O)N TS36106 [0,1,0,0,0,0|3,0,0]=4 821 B9R1.34 c1c(cc(cc1Br)Br)Br TS00356 [0,1,0,0,0,0|3,0,0]=4 822 B9R1.34 c1c(cc(cc1Br)Br)Cl TS02577 [0,1,0,0,0,0|3,0,0]=4 823 B9R1.34 c1c(cc(cc1Br)Br)F TS00387 [0,1,0,0,0,0|3,0,0]=4 824 B9R1.34 c1c(cc(cc1Br)Br)O TS02578 [0,1,0,0,0,0|3,0,0]=4 825 B9R1.34 c1c(cc(cc1Br)I)Br TS66452 [0,1,0,0,0,0|3,0,0]=4 826 B9R1.34 c1c(cc(cc1Br)I)Cl TS46924 [0,1,0,0,0,0|3,0,0]=4 827 B9R1.34 c1c(cc(cc1Br)I)F TS09379 [0,1,0,0,0,0|3,0,0]=4 828 B9R1.34 c1c(cc(cc1Cl)Br)Cl TS00025 [0,1,0,0,0,0|3,0,0]=4 829 B9R1.34 c1c(cc(cc1Cl)Br)F TS09356 [0,1,0,0,0,0|3,0,0]=4 830 B9R1.34 c1c(cc(cc1Cl)Br)N TS65924 [0,1,0,0,0,0|3,0,0]=4 831 B9R1.34 c1c(cc(cc1Cl)Br)O TS09334 [0,1,0,0,0,0|3,0,0]=4 832 B9R1.34 c1c(cc(cc1Cl)Cl)Cl TS07878 [0,1,0,0,0,0|3,0,0]=4 833 B9R1.34 c1c(cc(cc1Cl)Cl)F TS02357 [0,1,0,0,0,0|3,0,0]=4 834 B9R1.34 c1c(cc(cc1Cl)Cl)N TS00129 [0,1,0,0,0,0|3,0,0]=4 835 B9R1.34 c1c(cc(cc1Cl)Cl)O TS65789 [0,1,0,0,0,0|3,0,0]=4 836 B9R1.34 c1c(cc(cc1Cl)Cl)S TS14338 [0,1,0,0,0,0|3,0,0]=4 837 B9R1.34 c1c(cc(cc1Cl)I)Cl TS33452 [0,1,0,0,0,0|3,0,0]=4 838 B9R1.34 c1c(cc(cc1Cl)[Zn+])Cl TS64120 [0,1,0,0,0,0|3,0,0]=4 839 B9R1.34 c1c(cc(cc1F)Br)F TS46922 [0,1,0,0,0,0|3,0,0]=4 840 B9R1.34 c1c(cc(cc1F)Br)N TS51007 [0,1,0,0,0,0|3,0,0]=4 841 B9R1.34 c1c(cc(cc1F)Br)O TS09338 [0,1,0,0,0,0|3,0,0]=4 842 B9R1.34 c1c(cc(cc1F)Cl)F TS09201 [0,1,0,0,0,0|3,0,0]=4 843 B9R1.34 c1c(cc(cc1F)Cl)N TS09351 [0,1,0,0,0,0|3,0,0]=4 844 B9R1.34 c1c(cc(cc1F)Cl)O TS07276 [0,1,0,0,0,0|3,0,0]=4 845 B9R1.34 c1c(cc(cc1F)F)F TS05698 [0,1,0,0,0,0|3,0,0]=4 846 B9R1.34 c1c(cc(cc1F)F)N TS00130 [0,1,0,0,0,0|3,0,0]=4 847 B9R1.34 c1c(cc(cc1F)F)O TS02587 [0,1,0,0,0,0|3,0,0]=4 848 B9R1.34 c1c(cc(cc1F)I)F TS02205 [0,1,0,0,0,0|3,0,0]=4 849 B9R1.34 c1c(cc(cc1F)I)N TS09378 [0,1,0,0,0,0|3,0,0]=4 850 B9R1.34 c1c(cc(cc1F)S)F TS40405 [0,1,0,0,0,0|3,0,0]=4 851 B9R1.34 c1c(cc(cc1I)I)Br TS81372 [0,1,0,0,0,0|3,0,0]=4 852 B9R1.34 c1c(cc(cc1I)I)F TS64594 [0,1,0,0,0,0|3,0,0]=4 853 B9R1.34 c1c(cc(cc1I)I)I TS82498 [0,1,0,0,0,0|3,0,0]=4 854 B9R1.34 c1c(cc(cc1N)Br)N TS94284 [0,1,0,0,0,0|3,0,0]=4 855 B9R1.34 c1c(cc(cc1N)Cl)N TS06800 [0,1,0,0,0,0|3,0,0]=4 856 B9R1.34 c1c(cc(cc1N)N)N TS32579 [0,1,0,0,0,0|3,0,0]=4 857 B9R1.34 c1c(cc(cc1O)O)N TS39338 [0,1,0,0,0,0|3,0,0]=4 858 B9R1.34 c1c(cc(cc1O)O)O TS93943 [0,1,0,0,0,0|3,0,0]=4 859 B9R1.34 c1c(cc(cc1O)O)O TS94513 [0,1,0,0,0,0|3,0,0]=4 860 B9R1.34 c1c(cc(nc1Cl)Cl)Cl TS87981 [0,1,0,0,0,0|2,0,0]=3 861 B9R1.34 c1c(cc(nc1Cl)Cl)I TS33549 [0,1,0,0,0,0|2,0,0]=3 862 B9R1.34 c1c(cc(nc1Cl)Cl)N TS34639 [0,1,0,0,0,0|2,0,0]=3 863 B9R1.34 c1c(cc(nc1Cl)Cl)O TS47293 [0,1,0,0,0,0|2,0,0]=3 864 B9R1.34 c1c(cc(nc1F)F)F TS05806 [0,1,0,0,0,0|2,0,0]=3 865 B9R1.34 c1c(cc(nc1N)Cl)Cl TS47379 [0,1,0,0,0,0|2,0,0]=3 866 B9R1.34 c1c(cc(nc1N)N)Br TS70953 [0,1,0,0,0,0|2,0,0]=3 867 B9R1.34 c1c(cc(nc1N)O)O TS05144 [0,1,0,0,0,0|2,0,0]=3 868 B9R1.34 c1c(nc(=O)[nH]c1Cl)N TS07139 [0,1,0,0,0,0|3,0,0]=4 869 B9R1.34 c1c(nc(=O)[nH]c1F)N TS36391 [0,1,0,0,0,0|3,0,0]=4 870 B9R1.34 c1c(nc(nc1Br)Br)Br TS61311 [0,1,0,0,0,0|3,0,0]=4 871 B9R1.34 c1c(nc(nc1Br)N)Br TS89265 [0,1,0,0,0,0|3,0,0]=4 872 B9R1.34 c1c(nc(nc1Cl)Cl)N TS70868 [0,1,0,0,0,0|3,0,0]=4 873 B9R1.34 c1c(nc(nc1Cl)N)Cl TS47380 [0,1,0,0,0,0|3,0,0]=4 874 B9R1.34 c1c(nc(nc1Cl)N)N TS55589 [0,1,0,0,0,0|3,0,0]=4 875 B9R1.34 c1c(nc(nc1Cl)N)O TS00801 [0,1,0,0,0,0|3,0,0]=4 876 B9R1.34 c1c(nc(nc1F)F)F TS47181 [0,1,0,0,0,0|3,0,0]=4 877 B9R1.34 c1c(nc(nc1F)F)N TS05631 [0,1,0,0,0,0|3,0,0]=4 878 B9R1.34 c1c(nc(nc1F)N)F TS65028 [0,1,0,0,0,0|3,0,0]=4 879 B9R1.34 c1c(nc(nc1F)N)N TS47192 [0,1,0,0,0,0|3,0,0]=4 880 B9R1.34 c1c(nc(nc1F)N)O TS36392 [0,1,0,0,0,0|3,0,0]=4 881 B9R1.34 c1c(nc(nc1N)N)N TS00590 [0,1,0,0,0,0|3,0,0]=4 882 B9R1.34 c1c(nc(nc1N)O)N TS60040 [0,1,0,0,0,0|3,0,0]=4 883 B9R1.34 c1c(nc(nc1N)S)N TS06683 [0,1,0,0,0,0|3,0,0]=4 884 B9R1.34 c1c(nc(nc1O)N)N TS47193 [0,1,0,0,0,0|3,0,0]=4 885 B9R1.34 c1c(nc(nc1O)N)O TS47382 [0,1,0,0,0,0|3,0,0]=4 886 B9R1.34 c1c(nc(nc1O)S)N TS55528 [0,1,0,0,0,0|3,0,0]=4 887 B9R1.34 c1c(nc(nc1O)S)N TS55531 [0,1,0,0,0,0|3,0,0]=4 888 B9R1.34 c1c(nc(nc1O)S)O TS40162 [0,1,0,0,0,0|3,0,0]=4 889 B9R1.34 c1c(nc(nc1O)S)O TS40164 [0,1,0,0,0,0|3,0,0]=4 890 B9R1.34 c1c(nc(nc1S)N)N TS06681 [0,1,0,0,0,0|3,0,0]=4 891 B9R1.34 c1c(nc(nc1S)N)N TS57390 [0,1,0,0,0,0|3,0,0]=4 892 B9R1.34 c1c(nc(nc1S)N)N TS67244 [0,1,0,0,0,0|3,0,0]=4 893 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [0,1,0,0,0,0|3,0,0]=4 894 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [0,1,0,0,0,0|3,0,0]=4 895 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [0,1,0,0,0,0|2,0,0]=3 896 B9R1.69 Cc1[nH]cc(c(=O)n1)N TS05092 [0,1,0,0,0,0|2,0,1]=4 897 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [0,1,0,0,0,0|3,0,0]=4 898 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [0,1,0,0,0,0|3,0,0]=4 899 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [0,1,0,0,0,0|3,0,0]=4 900 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [0,1,0,0,0,0|3,0,0]=4 901 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [0,1,0,0,0,0|3,0,0]=4 902 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [0,1,0,0,0,0|3,0,0]=4 903 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [0,1,0,0,0,0|3,0,0]=4 904 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [0,1,0,0,0,0|3,0,0]=4 905 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [0,1,0,0,0,0|3,0,0]=4 906 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [0,1,0,0,0,0|3,0,0]=4 907 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [0,1,0,0,0,0|3,0,0]=4 908 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [0,1,0,0,0,0|3,0,0]=4 909 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [0,1,0,0,0,0|3,0,0]=4 910 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [0,1,0,0,0,0|3,0,0]=4 911 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [0,1,0,0,0,0|3,0,0]=4 912 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [0,1,0,0,0,0|3,0,0]=4 913 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [0,1,0,0,0,0|3,0,0]=4 914 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [0,1,0,0,0,0|3,0,0]=4 915 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [0,1,0,0,0,0|1,0,0]=2 916 B9R1.69 Cc1c(cnc(n1)N)Br TS47424 [0,1,0,0,0,0|2,0,0]=3 917 B9R1.69 Cc1c(nnc(n1)N)C TS05027 [0,1,0,0,0,0|3,0,0]=4 918 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [0,1,0,0,0,0|1,0,0]=2 919 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [0,1,0,0,0,0|1,0,0]=2 920 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [0,1,0,0,0,0|1,0,0]=2 921 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [0,1,0,0,0,0|1,0,0]=2 922 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [0,1,0,0,0,0|1,0,0]=2 923 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [0,1,0,0,0,0|1,0,0]=2 924 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [0,1,0,0,0,0|3,0,0]=4 925 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [0,1,0,0,0,0|3,0,0]=4 926 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [0,1,0,0,0,0|3,0,0]=4 927 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [0,1,0,0,0,0|3,0,0]=4 928 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [0,1,0,0,0,0|3,0,0]=4 929 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [0,1,0,0,0,0|3,0,0]=4 930 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [0,1,0,0,0,0|2,0,0]=3 931 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [0,1,0,0,0,0|3,0,0]=4 932 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [0,1,0,0,0,0|3,0,0]=4 933 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [0,1,0,0,0,0|3,0,0]=4 934 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [0,1,0,0,0,0|3,0,0]=4 935 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [0,1,0,0,0,0|3,0,0]=4 936 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [0,1,0,0,0,0|3,0,0]=4 937 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [0,1,0,0,0,0|3,0,0]=4 938 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [0,1,0,0,0,0|3,0,0]=4 939 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [0,1,0,0,0,0|3,0,0]=4 940 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [0,1,0,0,0,0|3,0,0]=4 941 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [0,1,0,0,0,0|2,0,0]=3 942 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [0,1,0,0,0,0|2,0,0]=3 943 B9R1.69 Cc1cc(ccc1Br)F TS85460 [0,1,0,0,0,0|2,0,0]=3 944 B9R1.69 Cc1cc(ccc1Br)I TS08348 [0,1,0,0,0,0|2,0,0]=3 945 B9R1.69 Cc1cc(ccc1Br)N TS09584 [0,1,0,0,0,0|2,0,0]=3 946 B9R1.69 Cc1cc(ccc1Br)O TS09587 [0,1,0,0,0,0|2,0,0]=3 947 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [0,1,0,0,0,0|2,0,0]=3 948 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [0,1,0,0,0,0|2,0,0]=3 949 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [0,1,0,0,0,0|2,0,0]=3 950 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [0,1,0,0,0,0|2,0,0]=3 951 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [0,1,0,0,0,0|2,0,0]=3 952 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [0,1,0,0,0,0|2,0,0]=3 953 B9R1.69 Cc1cc(ccc1F)Br TS16784 [0,1,0,0,0,0|2,0,0]=3 954 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [0,1,0,0,0,0|2,0,0]=3 955 B9R1.69 Cc1cc(ccc1F)F TS22993 [0,1,0,0,0,0|2,0,0]=3 956 B9R1.69 Cc1cc(ccc1F)I TS65051 [0,1,0,0,0,0|2,0,0]=3 957 B9R1.69 Cc1cc(ccc1F)N TS36056 [0,1,0,0,0,0|2,0,0]=3 958 B9R1.69 Cc1cc(ccc1F)O TS71121 [0,1,0,0,0,0|2,0,0]=3 959 B9R1.69 Cc1cc(ccc1F)S TS06691 [0,1,0,0,0,0|2,0,0]=3 960 B9R1.69 Cc1cc(ccc1I)Br TS59717 [0,1,0,0,0,0|2,0,0]=3 961 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [0,1,0,0,0,0|2,0,0]=3 962 B9R1.69 Cc1cc(ccc1I)F TS71539 [0,1,0,0,0,0|2,0,0]=3 963 B9R1.69 Cc1cc(ccc1I)I TS78661 [0,1,0,0,0,0|2,0,0]=3 964 B9R1.69 Cc1cc(ccc1N)Br TS23566 [0,1,0,0,0,0|2,0,0]=3 965 B9R1.69 Cc1cc(ccc1N)Br TS93925 [0,1,0,0,0,0|2,0,0]=3 966 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [0,1,0,0,0,0|2,0,0]=3 967 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [0,1,0,0,0,0|2,0,0]=3 968 B9R1.69 Cc1cc(ccc1N)I TS71186 [0,1,0,0,0,0|2,0,0]=3 969 B9R1.69 Cc1cc(ccc1N)N TS00178 [0,1,0,0,0,0|2,0,0]=3 970 B9R1.69 Cc1cc(ccc1N)N TS17999 [0,1,0,0,0,0|2,0,0]=3 971 B9R1.69 Cc1cc(ccc1N)N TS23083 [0,1,0,0,0,0|2,0,0]=3 972 B9R1.69 Cc1cc(ccc1N)O TS02998 [0,1,0,0,0,0|2,0,0]=3 973 B9R1.69 Cc1cc(ccc1O)Br TS01121 [0,1,0,0,0,0|2,0,0]=3 974 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [0,1,0,0,0,0|2,0,0]=3 975 B9R1.69 Cc1cc(ccc1O)F TS09704 [0,1,0,0,0,0|2,0,0]=3 976 B9R1.69 Cc1cc(ccc1O)I TS53550 [0,1,0,0,0,0|2,0,0]=3 977 B9R1.69 Cc1cc(ccc1O)N TS08867 [0,1,0,0,0,0|2,0,0]=3 978 B9R1.69 Cc1cc(ccc1O)O TS32600 [0,1,0,0,0,0|2,0,0]=3 979 B9R1.69 Cc1cc(ccc1O)S TS70667 [0,1,0,0,0,0|2,0,0]=3 980 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [0,1,0,0,0,0|3,0,0]=4 981 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [0,1,0,0,0,0|3,0,0]=4 982 B9R1.69 Cc1cc(cnc1Br)F TS16270 [0,1,0,0,0,0|3,0,0]=4 983 B9R1.69 Cc1cc(cnc1Br)I TS55994 [0,1,0,0,0,0|3,0,0]=4 984 B9R1.69 Cc1cc(cnc1Br)O TS15904 [0,1,0,0,0,0|3,0,0]=4 985 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [0,1,0,0,0,0|3,0,0]=4 986 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [0,1,0,0,0,0|3,0,0]=4 987 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [0,1,0,0,0,0|3,0,0]=4 988 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [0,1,0,0,0,0|3,0,0]=4 989 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [0,1,0,0,0,0|3,0,0]=4 990 B9R1.69 Cc1cc(cnc1F)Br TS71418 [0,1,0,0,0,0|3,0,0]=4 991 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [0,1,0,0,0,0|3,0,0]=4 992 B9R1.69 Cc1cc(cnc1F)I TS25995 [0,1,0,0,0,0|3,0,0]=4 993 B9R1.69 Cc1cc(cnc1F)N TS71359 [0,1,0,0,0,0|3,0,0]=4 994 B9R1.69 Cc1cc(cnc1I)Br TS55995 [0,1,0,0,0,0|3,0,0]=4 995 B9R1.69 Cc1cc(cnc1N)Br TS00769 [0,1,0,0,0,0|3,0,0]=4 996 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [0,1,0,0,0,0|3,0,0]=4 997 B9R1.69 Cc1cc(cnc1N)F TS03314 [0,1,0,0,0,0|3,0,0]=4 998 B9R1.69 Cc1cc(cnc1N)I TS47433 [0,1,0,0,0,0|3,0,0]=4 999 B9R1.69 Cc1cc(cnc1N)N TS32578 [0,1,0,0,0,0|3,0,0]=4 1000 B9R1.69 Cc1cc(cnc1O)Br TS01048 [0,1,0,0,0,0|3,0,0]=4 1001 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [0,1,0,0,0,0|3,0,0]=4 1002 B9R1.69 Cc1cc(cnc1O)I TS25667 [0,1,0,0,0,0|3,0,0]=4 1003 B9R1.69 Cc1cc(cnc1O)N TS05009 [0,1,0,0,0,0|3,0,0]=4 1004 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [0,1,0,0,0,0|1,0,0]=2 1005 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [0,1,0,0,0,0|1,0,0]=2 1006 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [0,1,0,0,0,0|1,0,0]=2 1007 B9R1.69 Cc1cc(ncc1Br)F TS85252 [0,1,0,0,0,0|1,0,0]=2 1008 B9R1.69 Cc1cc(ncc1Br)N TS47423 [0,1,0,0,0,0|1,0,0]=2 1009 B9R1.69 Cc1cc(ncc1Br)O TS50643 [0,1,0,0,0,0|1,0,0]=2 1010 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [0,1,0,0,0,0|1,0,0]=2 1011 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [0,1,0,0,0,0|1,0,0]=2 1012 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [0,1,0,0,0,0|1,0,0]=2 1013 B9R1.69 Cc1cc(ncc1F)Br TS16269 [0,1,0,0,0,0|1,0,0]=2 1014 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [0,1,0,0,0,0|1,0,0]=2 1015 B9R1.69 Cc1cc(ncc1F)N TS00784 [0,1,0,0,0,0|1,0,0]=2 1016 B9R1.69 Cc1cc(ncc1I)F TS25994 [0,1,0,0,0,0|1,0,0]=2 1017 B9R1.69 Cc1cc(ncc1I)N TS53553 [0,1,0,0,0,0|1,0,0]=2 1018 B9R1.69 Cc1cc(ncc1N)Br TS71350 [0,1,0,0,0,0|1,0,0]=2 1019 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [0,1,0,0,0,0|1,0,0]=2 1020 B9R1.69 Cc1cc(ncc1N)N TS32570 [0,1,0,0,0,0|1,0,0]=2 1021 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [0,1,0,0,0,0|1,0,0]=2 1022 B9R1.69 Cc1cc(nnc1Cl)Cl TS08668 [0,1,0,0,0,0|2,0,0]=3 1023 B9R1.69 Cc1cc(nnc1O)O TS05141 [0,1,0,0,0,0|2,0,0]=3 1024 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [0,1,0,0,0,0|0,0,1]=2 1025 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [0,1,0,0,0,0|2,0,0]=3 1026 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [0,1,0,0,0,0|2,0,0]=3 1027 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [0,1,0,0,0,0|2,0,0]=3 1028 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [0,1,0,0,0,0|2,0,0]=3 1029 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [0,1,0,0,0,0|2,0,0]=3 1030 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [0,1,0,0,0,0|2,0,0]=3 1031 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [0,1,0,0,0,0|2,0,0]=3 1032 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [0,1,0,0,0,0|2,0,0]=3 1033 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [0,1,0,0,0,0|1,0,0]=2 1034 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [0,1,0,0,0,0|1,0,0]=2 1035 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [0,1,0,0,0,0|1,0,0]=2 1036 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [0,1,0,0,0,0|1,0,0]=2 1037 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [0,1,0,0,0,0|1,0,0]=2 1038 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [0,1,0,0,0,0|1,0,0]=2 1039 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [0,1,0,0,0,0|1,0,0]=2 1040 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [0,1,0,0,0,0|1,0,0]=2 1041 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [0,1,0,0,0,0|1,0,0]=2 1042 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [0,1,0,0,0,0|1,0,0]=2 1043 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [0,1,0,0,0,0|2,0,0]=3 1044 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [0,1,0,0,0,0|2,0,0]=3 1045 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [0,1,0,0,0,0|2,0,0]=3 1046 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [0,1,0,0,0,0|2,0,0]=3 1047 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [0,1,0,0,0,0|2,0,0]=3 1048 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [0,1,0,0,0,0|2,0,0]=3 1049 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [0,1,0,0,0,0|2,0,0]=3 1050 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [0,1,0,0,0,0|2,0,0]=3 1051 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [0,1,0,0,0,0|2,0,0]=3 1052 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [0,1,0,0,0,0|2,0,0]=3 1053 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [0,1,0,0,0,0|2,0,0]=3 1054 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [0,1,0,0,0,0|2,0,0]=3 1055 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [0,1,0,0,0,0|2,0,0]=3 1056 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [0,1,0,0,0,0|2,0,0]=3 1057 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [0,1,0,0,0,0|2,0,0]=3 1058 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [0,1,0,0,0,0|2,0,0]=3 1059 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [0,1,0,0,0,0|2,0,0]=3 1060 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [0,1,0,0,0,0|2,0,0]=3 1061 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [0,1,0,0,0,0|2,0,0]=3 1062 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [0,1,0,0,0,0|2,0,0]=3 1063 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [0,1,0,0,0,0|2,0,0]=3 1064 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [0,1,0,0,0,0|2,0,0]=3 1065 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [0,1,0,0,0,0|2,0,0]=3 1066 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [0,1,0,0,0,0|2,0,0]=3 1067 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [0,1,0,0,0,0|2,0,0]=3 1068 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [0,1,0,0,0,0|2,0,0]=3 1069 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [0,1,0,0,0,0|2,0,0]=3 1070 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [0,1,0,0,0,0|2,0,0]=3 1071 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [0,1,0,0,0,0|2,0,0]=3 1072 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [0,1,0,0,0,0|2,0,0]=3 1073 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [0,1,0,0,0,0|2,0,0]=3 1074 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [0,1,0,0,0,0|2,0,0]=3 1075 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [0,1,0,0,0,0|2,0,0]=3 1076 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [0,1,0,0,0,0|2,0,0]=3 1077 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [0,1,0,0,0,0|2,0,0]=3 1078 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [0,1,0,0,0,0|3,0,0]=4 1079 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [0,1,0,0,0,0|3,0,0]=4 1080 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [0,1,0,0,0,0|3,0,0]=4 1081 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [0,1,0,0,0,0|3,0,0]=4 1082 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [0,1,0,0,0,0|2,0,0]=3 1083 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [0,1,0,0,0,0|2,0,0]=3 1084 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [0,1,0,0,0,0|2,0,0]=3 1085 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [0,1,0,0,0,0|3,0,0]=4 1086 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [0,1,0,0,0,0|3,0,0]=4 1087 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [0,1,0,0,0,0|3,0,0]=4 1088 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [0,1,0,0,0,0|3,0,0]=4 1089 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [0,1,0,0,0,0|3,0,0]=4 1090 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [0,1,0,0,0,0|3,0,0]=4 1091 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [0,1,0,0,0,0|3,0,0]=4 1092 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [0,1,0,0,0,0|3,0,0]=4 1093 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [0,1,0,0,0,0|3,0,0]=4 1094 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [0,1,0,0,0,0|3,0,0]=4 1095 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [0,1,0,0,0,0|3,0,0]=4 1096 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [0,1,0,0,0,0|3,0,0]=4 1097 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [0,1,0,0,0,0|3,0,0]=4 1098 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [0,1,0,0,0,0|3,0,0]=4 1099 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [0,1,0,0,0,0|3,0,0]=4 1100 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [0,1,0,0,0,0|3,0,0]=4 1101 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [0,1,0,0,0,0|3,0,0]=4 1102 B9R1.69 Cc1ccc(cc1Br)I TS08325 [0,1,0,0,0,0|3,0,0]=4 1103 B9R1.69 Cc1ccc(cc1Br)N TS09455 [0,1,0,0,0,0|3,0,0]=4 1104 B9R1.69 Cc1ccc(cc1C)Br TS39736 [0,1,0,0,0,0|2,0,0]=3 1105 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [0,1,0,0,0,0|2,0,0]=3 1106 B9R1.69 Cc1ccc(cc1C)F TS65457 [0,1,0,0,0,0|2,0,0]=3 1107 B9R1.69 Cc1ccc(cc1C)I TS25161 [0,1,0,0,0,0|2,0,0]=3 1108 B9R1.69 Cc1ccc(cc1C)N TS32462 [0,1,0,0,0,0|2,0,0]=3 1109 B9R1.69 Cc1ccc(cc1C)O TS00123 [0,1,0,0,0,0|2,0,0]=3 1110 B9R1.69 Cc1ccc(cc1C)S TS06303 [0,1,0,0,0,0|2,0,0]=3 1111 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [0,1,0,0,0,0|3,0,0]=4 1112 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [0,1,0,0,0,0|3,0,0]=4 1113 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [0,1,0,0,0,0|3,0,0]=4 1114 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [0,1,0,0,0,0|3,0,0]=4 1115 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [0,1,0,0,0,0|3,0,0]=4 1116 B9R1.69 Cc1ccc(cc1F)Br TS16763 [0,1,0,0,0,0|3,0,0]=4 1117 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [0,1,0,0,0,0|3,0,0]=4 1118 B9R1.69 Cc1ccc(cc1F)F TS47222 [0,1,0,0,0,0|3,0,0]=4 1119 B9R1.69 Cc1ccc(cc1F)I TS02163 [0,1,0,0,0,0|3,0,0]=4 1120 B9R1.69 Cc1ccc(cc1F)N TS02755 [0,1,0,0,0,0|3,0,0]=4 1121 B9R1.69 Cc1ccc(cc1F)O TS02758 [0,1,0,0,0,0|3,0,0]=4 1122 B9R1.69 Cc1ccc(cc1F)S TS06690 [0,1,0,0,0,0|3,0,0]=4 1123 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [0,1,0,0,0,0|3,0,0]=4 1124 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [0,1,0,0,0,0|3,0,0]=4 1125 B9R1.69 Cc1ccc(cc1I)F TS60397 [0,1,0,0,0,0|3,0,0]=4 1126 B9R1.69 Cc1ccc(cc1I)N TS53418 [0,1,0,0,0,0|3,0,0]=4 1127 B9R1.69 Cc1ccc(cc1N)Br TS47394 [0,1,0,0,0,0|3,0,0]=4 1128 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [0,1,0,0,0,0|3,0,0]=4 1129 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [0,1,0,0,0,0|3,0,0]=4 1130 B9R1.69 Cc1ccc(cc1N)F TS71546 [0,1,0,0,0,0|3,0,0]=4 1131 B9R1.69 Cc1ccc(cc1N)I TS08884 [0,1,0,0,0,0|3,0,0]=4 1132 B9R1.69 Cc1ccc(cc1N)N TS32517 [0,1,0,0,0,0|3,0,0]=4 1133 B9R1.69 Cc1ccc(cc1N)O TS65470 [0,1,0,0,0,0|3,0,0]=4 1134 B9R1.69 Cc1ccc(cc1O)Br TS09797 [0,1,0,0,0,0|3,0,0]=4 1135 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [0,1,0,0,0,0|3,0,0]=4 1136 B9R1.69 Cc1ccc(cc1O)F TS65133 [0,1,0,0,0,0|3,0,0]=4 1137 B9R1.69 Cc1ccc(cc1O)O TS65139 [0,1,0,0,0,0|3,0,0]=4 1138 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [0,1,0,0,0,0|3,0,0]=4 1139 B9R1.69 Cc1ccc(cc1S)F TS06686 [0,1,0,0,0,0|3,0,0]=4 1140 B9R1.69 Cc1ccc(nc1C)C TS04872 [0,1,0,0,0,0|2,0,0]=3 1141 B9R1.69 Cc1ccc(nc1C)C TS26913 [0,1,0,0,0,0|2,0,0]=3 1142 B9R1.69 Cc1ccc(nc1C)N TS04919 [0,1,0,0,0,0|3,0,0]=4 1143 B9R1.69 Cc1ccc(nc1N)C TS02606 [0,1,0,0,0,0|3,0,0]=4 1144 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [0,1,0,0,0,0|3,0,0]=4 1145 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [0,1,0,0,0,0|3,0,0]=4 1146 B9R1.69 Cc1cnc(cc1Cl)Cl TS00611 [0,1,0,0,0,0|2,0,0]=3 1147 B9R1.69 Cc1cnc(cc1I)F TS08417 [0,1,0,0,0,0|2,0,0]=3 1148 B9R1.69 Cc1cnc(cn1=O)C TS05014 [0,1,0,0,0,0|2,0,0]=3 1149 B9R1.69 Cc1cnc(nc1Cl)Cl TS00612 [0,1,0,0,0,0|3,0,0]=4 1150 B9R1.69 Cc1cnc(nc1Cl)N TS89156 [0,1,0,0,0,0|3,0,0]=4 1151 B9R1.69 Cc1cnc(nc1N)Cl TS70874 [0,1,0,0,0,0|3,0,0]=4 1152 B9R1.69 Cc1ncc(c(n1)Cl)F TS29442 [0,1,0,0,0,0|2,0,0]=3 1153 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [0,1,0,0,0,0|3,0,0]=4 1154 B9R1.69 Cn1cc(ccc1=O)F TS03324 [0,1,0,0,0,0|3,0,0]=4 1155 B9R1.69 Cn1cc(ccc1=O)N TS87923 [0,1,0,0,0,0|3,0,0]=4 1156 B9R1.69 Cn1ccc(cc1=O)Br TS89656 [0,1,0,0,0,0|2,0,1]=4 1157 B9R1.69 Cn1ccc(cc1=O)N TS85868 [0,1,0,0,0,0|2,0,1]=4 1158 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [0,1,0,0,0,0|2,0,1]=4 1159 B9R1.69 c1c(c(cnc1Cl)Br)Cl TS33097 [0,1,0,0,0,0|2,0,0]=3 1160 B9R1.69 c1c(c(cnc1Cl)Br)N TS89598 [0,1,0,0,0,0|2,0,0]=3 1161 B9R1.69 c1c(c(cnc1Cl)Cl)Br TS01844 [0,1,0,0,0,0|2,0,0]=3 1162 B9R1.69 c1c(c(cnc1Cl)Cl)N TS11650 [0,1,0,0,0,0|2,0,0]=3 1163 B9R1.69 c1c(c(cnc1Cl)Cl)O TS11787 [0,1,0,0,0,0|2,0,0]=3 1164 B9R1.69 c1c(c(cnc1Cl)F)Br TS43886 [0,1,0,0,0,0|2,0,0]=3 1165 B9R1.69 c1c(c(cnc1Cl)F)I TS55241 [0,1,0,0,0,0|2,0,0]=3 1166 B9R1.69 c1c(c(cnc1Cl)I)Cl TS33094 [0,1,0,0,0,0|2,0,0]=3 1167 B9R1.69 c1c(c(cnc1Cl)I)N TS89284 [0,1,0,0,0,0|2,0,0]=3 1168 B9R1.69 c1c(c(cnc1Cl)N)Cl TS70838 [0,1,0,0,0,0|2,0,0]=3 1169 B9R1.69 c1c(c(cnc1Cl)N)N TS86592 [0,1,0,0,0,0|2,0,0]=3 1170 B9R1.69 c1c(c(cnc1F)Br)Cl TS43887 [0,1,0,0,0,0|2,0,0]=3 1171 B9R1.69 c1c(c(cnc1F)Br)N TS88671 [0,1,0,0,0,0|2,0,0]=3 1172 B9R1.69 c1c(c(cnc1F)Cl)I TS09837 [0,1,0,0,0,0|2,0,0]=3 1173 B9R1.69 c1c(c(cnc1F)F)F TS00587 [0,1,0,0,0,0|2,0,0]=3 1174 B9R1.69 c1c(c(cnc1F)I)Cl TS33095 [0,1,0,0,0,0|2,0,0]=3 1175 B9R1.69 c1c(c(cnc1F)N)N TS36214 [0,1,0,0,0,0|2,0,0]=3 1176 B9R1.69 c1c(c(cnc1N)Br)Cl TS85360 [0,1,0,0,0,0|2,0,0]=3 1177 B9R1.69 c1c(c(cnc1N)Cl)Cl TS02901 [0,1,0,0,0,0|2,0,0]=3 1178 B9R1.69 c1c(c(cnc1N)N)N TS47177 [0,1,0,0,0,0|2,0,0]=3 1179 B9R1.69 c1c(c(cnc1O)F)Br TS17404 [0,1,0,0,0,0|2,0,0]=3 1180 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br TS00604 [0,1,0,0,0,0|3,0,0]=4 1181 B9R1.69 c1c(c(nc(n1)Cl)Cl)Cl TS00579 [0,1,0,0,0,0|3,0,0]=4 1182 B9R1.69 c1c(c(nc(n1)Cl)Cl)F TS00606 [0,1,0,0,0,0|3,0,0]=4 1183 B9R1.69 c1c(c(nc(n1)Cl)Cl)I TS00608 [0,1,0,0,0,0|3,0,0]=4 1184 B9R1.69 c1c(c(nc(n1)Cl)Cl)N TS71349 [0,1,0,0,0,0|3,0,0]=4 1185 B9R1.69 c1c(c(nc(n1)Cl)N)Br TS02981 [0,1,0,0,0,0|3,0,0]=4 1186 B9R1.69 c1c(c(nc(n1)Cl)N)F TS70873 [0,1,0,0,0,0|3,0,0]=4 1187 B9R1.69 c1c(c(nc(n1)Cl)N)N TS00960 [0,1,0,0,0,0|3,0,0]=4 1188 B9R1.69 c1c(c(nc(n1)N)Cl)F TS71038 [0,1,0,0,0,0|3,0,0]=4 1189 B9R1.69 c1c(c(nc(n1)N)N)N TS36053 [0,1,0,0,0,0|3,0,0]=4 1190 B9R1.69 c1c(c(nc(n1)N)O)Br TS47422 [0,1,0,0,0,0|3,0,0]=4 1191 B9R1.69 c1c(c(nc(n1)O)O)O TS05308 [0,1,0,0,0,0|3,0,0]=4 1192 B9R1.69 c1c(c(nc(n1)O)S)F TS40381 [0,1,0,0,0,0|3,0,0]=4 1193 B9R1.69 c1c(c(nc(n1)S)N)N TS37590 [0,1,0,0,0,0|3,0,0]=4 1194 B9R1.69 c1c(c(nc(n1)S)O)F TS09194 [0,1,0,0,0,0|3,0,0]=4 1195 B9R1.69 c1c(c(nnc1Cl)Cl)Cl TS88780 [0,1,0,0,0,0|3,0,0]=4 1196 B9R1.69 c1c(c(nnc1Cl)Cl)F TS86881 [0,1,0,0,0,0|3,0,0]=4 1197 B9R1.69 c1c(c(nnc1Cl)Cl)N TS91075 [0,1,0,0,0,0|3,0,0]=4 1198 B9R1.69 c1c(c(nnc1Cl)N)Br TS87795 [0,1,0,0,0,0|3,0,0]=4 1199 B9R1.69 c1c(c(nnc1O)O)Cl TS07275 [0,1,0,0,0,0|3,0,0]=4 1200 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [0,1,0,0,0,0|3,0,0]=4 1201 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [0,1,0,0,0,0|3,0,0]=4 1202 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [0,1,0,0,0,0|3,0,0]=4 1203 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [0,1,0,0,0,0|3,0,0]=4 1204 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [0,1,0,0,0,0|3,0,0]=4 1205 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [0,1,0,0,0,0|3,0,0]=4 1206 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [0,1,0,0,0,0|3,0,0]=4 1207 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [0,1,0,0,0,0|3,0,0]=4 1208 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [0,1,0,0,0,0|3,0,0]=4 1209 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [0,1,0,0,0,0|3,0,0]=4 1210 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [0,1,0,0,0,0|3,0,0]=4 1211 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [0,1,0,0,0,0|3,0,0]=4 1212 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [0,1,0,0,0,0|3,0,0]=4 1213 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [0,1,0,0,0,0|3,0,0]=4 1214 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [0,1,0,0,0,0|3,0,0]=4 1215 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [0,1,0,0,0,0|3,0,0]=4 1216 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [0,1,0,0,0,0|3,0,0]=4 1217 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [0,1,0,0,0,0|3,0,0]=4 1218 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [0,1,0,0,0,0|3,0,0]=4 1219 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [0,1,0,0,0,0|3,0,0]=4 1220 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [0,1,0,0,0,0|3,0,0]=4 1221 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [0,1,0,0,0,0|3,0,0]=4 1222 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [0,1,0,0,0,0|3,0,0]=4 1223 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [0,1,0,0,0,0|3,0,0]=4 1224 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [0,1,0,0,0,0|3,0,0]=4 1225 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [0,1,0,0,0,0|3,0,0]=4 1226 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [0,1,0,0,0,0|3,0,0]=4 1227 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [0,1,0,0,0,0|3,0,0]=4 1228 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [0,1,0,0,0,0|3,0,0]=4 1229 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [0,1,0,0,0,0|3,0,0]=4 1230 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [0,1,0,0,0,0|3,0,0]=4 1231 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [0,1,0,0,0,0|3,0,0]=4 1232 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [0,1,0,0,0,0|3,0,0]=4 1233 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [0,1,0,0,0,0|3,0,0]=4 1234 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [0,1,0,0,0,0|3,0,0]=4 1235 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [0,1,0,0,0,0|3,0,0]=4 1236 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [0,1,0,0,0,0|3,0,0]=4 1237 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [0,1,0,0,0,0|3,0,0]=4 1238 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [0,1,0,0,0,0|3,0,0]=4 1239 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [0,1,0,0,0,0|3,0,0]=4 1240 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [0,1,0,0,0,0|3,0,0]=4 1241 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [0,1,0,0,0,0|3,0,0]=4 1242 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [0,1,0,0,0,0|3,0,0]=4 1243 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [0,1,0,0,0,0|3,0,0]=4 1244 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [0,1,0,0,0,0|3,0,0]=4 1245 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [0,1,0,0,0,0|3,0,0]=4 1246 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [0,1,0,0,0,0|3,0,0]=4 1247 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [0,1,0,0,0,0|3,0,0]=4 1248 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [0,1,0,0,0,0|3,0,0]=4 1249 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [0,1,0,0,0,0|3,0,0]=4 1250 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [0,1,0,0,0,0|3,0,0]=4 1251 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [0,1,0,0,0,0|3,0,0]=4 1252 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [0,1,0,0,0,0|3,0,0]=4 1253 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [0,1,0,0,0,0|3,0,0]=4 1254 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [0,1,0,0,0,0|3,0,0]=4 1255 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [0,1,0,0,0,0|3,0,0]=4 1256 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [0,1,0,0,0,0|3,0,0]=4 1257 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [0,1,0,0,0,0|3,0,0]=4 1258 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [0,1,0,0,0,0|3,0,0]=4 1259 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [0,1,0,0,0,0|3,0,0]=4 1260 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [0,1,0,0,0,0|3,0,0]=4 1261 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [0,1,0,0,0,0|3,0,0]=4 1262 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [0,1,0,0,0,0|3,0,0]=4 1263 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [0,1,0,0,0,0|3,0,0]=4 1264 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [0,1,0,0,0,0|3,0,0]=4 1265 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [0,1,0,0,0,0|3,0,0]=4 1266 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [0,1,0,0,0,0|3,0,0]=4 1267 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [0,1,0,0,0,0|3,0,0]=4 1268 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [0,1,0,0,0,0|3,0,0]=4 1269 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [0,1,0,0,0,0|3,0,0]=4 1270 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [0,1,0,0,0,0|3,0,0]=4 1271 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [0,1,0,0,0,0|3,0,0]=4 1272 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [0,1,0,0,0,0|3,0,0]=4 1273 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [0,1,0,0,0,0|3,0,0]=4 1274 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [0,1,0,0,0,0|3,0,0]=4 1275 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [0,1,0,0,0,0|3,0,0]=4 1276 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [0,1,0,0,0,0|3,0,0]=4 1277 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [0,1,0,0,0,0|3,0,0]=4 1278 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [0,1,0,0,0,0|3,0,0]=4 1279 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [0,1,0,0,0,0|3,0,0]=4 1280 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [0,1,0,0,0,0|3,0,0]=4 1281 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [0,1,0,0,0,0|3,0,0]=4 1282 B9R1.69 c1cc(c(cc1F)F)F TS46768 [0,1,0,0,0,0|3,0,0]=4 1283 B9R1.69 c1cc(c(cc1F)F)I TS26444 [0,1,0,0,0,0|3,0,0]=4 1284 B9R1.69 c1cc(c(cc1F)F)N TS00627 [0,1,0,0,0,0|3,0,0]=4 1285 B9R1.69 c1cc(c(cc1F)F)O TS00636 [0,1,0,0,0,0|3,0,0]=4 1286 B9R1.69 c1cc(c(cc1F)F)S TS07912 [0,1,0,0,0,0|3,0,0]=4 1287 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [0,1,0,0,0,0|3,0,0]=4 1288 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [0,1,0,0,0,0|3,0,0]=4 1289 B9R1.69 c1cc(c(cc1F)I)F TS26443 [0,1,0,0,0,0|3,0,0]=4 1290 B9R1.69 c1cc(c(cc1F)I)I TS64595 [0,1,0,0,0,0|3,0,0]=4 1291 B9R1.69 c1cc(c(cc1F)I)N TS09698 [0,1,0,0,0,0|3,0,0]=4 1292 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [0,1,0,0,0,0|3,0,0]=4 1293 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [0,1,0,0,0,0|3,0,0]=4 1294 B9R1.69 c1cc(c(cc1F)N)F TS00672 [0,1,0,0,0,0|3,0,0]=4 1295 B9R1.69 c1cc(c(cc1F)N)I TS07832 [0,1,0,0,0,0|3,0,0]=4 1296 B9R1.69 c1cc(c(cc1F)N)N TS16670 [0,1,0,0,0,0|3,0,0]=4 1297 B9R1.69 c1cc(c(cc1F)N)O TS00753 [0,1,0,0,0,0|3,0,0]=4 1298 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [0,1,0,0,0,0|3,0,0]=4 1299 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [0,1,0,0,0,0|3,0,0]=4 1300 B9R1.69 c1cc(c(cc1F)O)F TS36449 [0,1,0,0,0,0|3,0,0]=4 1301 B9R1.69 c1cc(c(cc1F)O)N TS36211 [0,1,0,0,0,0|3,0,0]=4 1302 B9R1.69 c1cc(c(cc1F)O)O TS39506 [0,1,0,0,0,0|3,0,0]=4 1303 B9R1.69 c1cc(c(cc1F)S)F TS07211 [0,1,0,0,0,0|3,0,0]=4 1304 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [0,1,0,0,0,0|3,0,0]=4 1305 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [0,1,0,0,0,0|3,0,0]=4 1306 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [0,1,0,0,0,0|3,0,0]=4 1307 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [0,1,0,0,0,0|3,0,0]=4 1308 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [0,1,0,0,0,0|3,0,0]=4 1309 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [0,1,0,0,0,0|3,0,0]=4 1310 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [0,1,0,0,0,0|3,0,0]=4 1311 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [0,1,0,0,0,0|3,0,0]=4 1312 B9R1.69 c1cc(c(cc1I)F)F TS59549 [0,1,0,0,0,0|3,0,0]=4 1313 B9R1.69 c1cc(c(cc1I)F)I TS65285 [0,1,0,0,0,0|3,0,0]=4 1314 B9R1.69 c1cc(c(cc1I)F)N TS09293 [0,1,0,0,0,0|3,0,0]=4 1315 B9R1.69 c1cc(c(cc1I)I)I TS82497 [0,1,0,0,0,0|3,0,0]=4 1316 B9R1.69 c1cc(c(cc1I)I)N TS64466 [0,1,0,0,0,0|3,0,0]=4 1317 B9R1.69 c1cc(c(cc1I)N)F TS25996 [0,1,0,0,0,0|3,0,0]=4 1318 B9R1.69 c1cc(c(cc1I)N)N TS71178 [0,1,0,0,0,0|3,0,0]=4 1319 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [0,1,0,0,0,0|3,0,0]=4 1320 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [0,1,0,0,0,0|3,0,0]=4 1321 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [0,1,0,0,0,0|3,0,0]=4 1322 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [0,1,0,0,0,0|3,0,0]=4 1323 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [0,1,0,0,0,0|3,0,0]=4 1324 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [0,1,0,0,0,0|3,0,0]=4 1325 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [0,1,0,0,0,0|3,0,0]=4 1326 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [0,1,0,0,0,0|3,0,0]=4 1327 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [0,1,0,0,0,0|3,0,0]=4 1328 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [0,1,0,0,0,0|3,0,0]=4 1329 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [0,1,0,0,0,0|3,0,0]=4 1330 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [0,1,0,0,0,0|3,0,0]=4 1331 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [0,1,0,0,0,0|3,0,0]=4 1332 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [0,1,0,0,0,0|3,0,0]=4 1333 B9R1.69 c1cc(c(cc1N)F)F TS65749 [0,1,0,0,0,0|3,0,0]=4 1334 B9R1.69 c1cc(c(cc1N)F)I TS02749 [0,1,0,0,0,0|3,0,0]=4 1335 B9R1.69 c1cc(c(cc1N)F)O TS02963 [0,1,0,0,0,0|3,0,0]=4 1336 B9R1.69 c1cc(c(cc1N)I)N TS01065 [0,1,0,0,0,0|3,0,0]=4 1337 B9R1.69 c1cc(c(cc1N)I)O TS25670 [0,1,0,0,0,0|3,0,0]=4 1338 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [0,1,0,0,0,0|3,0,0]=4 1339 B9R1.69 c1cc(c(cc1N)N)F TS65337 [0,1,0,0,0,0|3,0,0]=4 1340 B9R1.69 c1cc(c(cc1N)N)I TS53551 [0,1,0,0,0,0|3,0,0]=4 1341 B9R1.69 c1cc(c(cc1N)N)N TS00347 [0,1,0,0,0,0|3,0,0]=4 1342 B9R1.69 c1cc(c(cc1N)N)O TS53804 [0,1,0,0,0,0|3,0,0]=4 1343 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [0,1,0,0,0,0|3,0,0]=4 1344 B9R1.69 c1cc(c(cc1N)O)O TS20087 [0,1,0,0,0,0|3,0,0]=4 1345 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [0,1,0,0,0,0|3,0,0]=4 1346 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [0,1,0,0,0,0|3,0,0]=4 1347 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [0,1,0,0,0,0|3,0,0]=4 1348 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [0,1,0,0,0,0|3,0,0]=4 1349 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [0,1,0,0,0,0|3,0,0]=4 1350 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [0,1,0,0,0,0|3,0,0]=4 1351 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [0,1,0,0,0,0|3,0,0]=4 1352 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [0,1,0,0,0,0|3,0,0]=4 1353 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [0,1,0,0,0,0|3,0,0]=4 1354 B9R1.69 c1cc(c(cc1O)F)F TS60320 [0,1,0,0,0,0|3,0,0]=4 1355 B9R1.69 c1cc(c(cc1O)F)N TS42650 [0,1,0,0,0,0|3,0,0]=4 1356 B9R1.69 c1cc(c(cc1O)F)N TS70881 [0,1,0,0,0,0|3,0,0]=4 1357 B9R1.69 c1cc(c(cc1O)F)O TS85396 [0,1,0,0,0,0|3,0,0]=4 1358 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [0,1,0,0,0,0|3,0,0]=4 1359 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [0,1,0,0,0,0|3,0,0]=4 1360 B9R1.69 c1cc(c(cc1O)N)F TS65858 [0,1,0,0,0,0|3,0,0]=4 1361 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [0,1,0,0,0,0|3,0,0]=4 1362 B9R1.69 c1cc(c(cc1O)O)F TS71140 [0,1,0,0,0,0|3,0,0]=4 1363 B9R1.69 c1cc(c(cc1O)O)N TS42356 [0,1,0,0,0,0|3,0,0]=4 1364 B9R1.69 c1cc(c(cc1O)O)O TS05134 [0,1,0,0,0,0|3,0,0]=4 1365 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [0,1,0,0,0,0|3,0,0]=4 1366 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [0,1,0,0,0,0|3,0,0]=4 1367 B9R1.69 c1cc(c(cc1S)F)F TS40406 [0,1,0,0,0,0|3,0,0]=4 1368 B9R1.69 c1cc(c(cc1S)F)N TS40078 [0,1,0,0,0,0|3,0,0]=4 1369 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [0,1,0,0,0,0|3,0,0]=4 1370 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [0,1,0,0,0,0|3,0,0]=4 1371 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [0,1,0,0,0,0|3,0,0]=4 1372 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [0,1,0,0,0,0|3,0,0]=4 1373 B7R0.2 CC(=CC(=O)C)NC TS04388 [0,0,1,0,0,0|1,0,2]=4 1374 B7R0.2 CC(=CC(=O)C)O[Ir] TS78858 [0,0,1,0,0,0|3,0,0]=4 1375 B7R0.2 CC(=CC(=O)C)O[Tl] TS74884 [0,0,1,0,0,0|3,0,0]=4 1376 B7R0.2 CC(=CN(C)C)C=O TS32017 [0,0,1,0,0,0|3,0,0]=4 1377 B7R0.4 CC(=O)OC=CC=C TS31913 [0,0,1,0,0,0|2,0,1]=4 1378 B7R0.4 CC=CC=CC(=O)C TS31841 [0,0,1,0,0,0|2,0,0]=3 1379 B7R0.4 CC=CC=CC(=O)O TS31914 [0,0,1,0,0,0|3,0,0]=4 1380 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [0,0,1,0,0,0|3,0,0]=4 1381 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [0,0,1,0,0,0|3,0,0]=4 1382 B7R0.4 CC=CCCC(=C)C TS04225 [0,0,1,0,0,0|1,0,1]=3 1383 B7R0.4 CCCC=CC(=O)C TS31936 [0,0,1,0,0,0|2,0,1]=4 1384 B7R0.7 CC=CC(=O)N=C=S TS05260 [0,0,1,0,0,0|2,0,1]=4 1385 B7R0.7 CC=CC(=O)OC=C TS31901 [0,0,1,0,0,0|2,0,0]=3 1386 B7R0.7 CC=CC(C)CC=C TS04219 [0,0,1,0,0,0|1,0,1]=3 1387 B7R0.7 CC=CC(CC=C)O TS04315 [0,0,1,0,0,0|2,0,1]=4 1388 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,0,0,0,1,0|3,0,0]=4 1389 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,0,0,0,1,0|3,0,0]=4 1390 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,0,0,0,1,0|1,0,2]=4 1391 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,0,0,0,1,0|2,0,1]=4 1392 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,0,0,0,1,0|2,0,1]=4 1393 B7R1.2 CC1=NNC(=O)C1 TS93059 [0,0,0,0,1,0|2,0,1]=4 1394 B7R1.2 CC1=NOC(=O)C1 TS15601 [0,0,0,0,1,0|2,0,1]=4 1395 B7R1.2 Cc1[nH]c(nn1)C TS31398 [0,0,0,0,1,0|2,0,0]=3 1396 B7R1.2 Cc1[nH]c(nn1)N TS02652 [0,0,0,0,1,0|3,0,0]=4 1397 B7R1.2 Cc1[nH]cc(n1)Br TS70962 [0,0,0,0,1,0|2,0,1]=4 1398 B7R1.2 Cc1[nH]cc(n1)I TS08883 [0,0,0,0,1,0|2,0,1]=4 1399 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,0,0,0,1,0|2,0,1]=4 1400 B7R1.2 Cc1c[nH]c(n1)C TS00643 [0,0,0,0,1,0|1,0,1]=3 1401 B7R1.2 Cc1cc([nH]c1)C TS00646 [0,0,0,0,1,0|0,0,1]=2 1402 B7R1.2 Cc1cc(cs1)Br TS70964 [0,0,0,0,1,0|2,0,0]=3 1403 B7R1.2 Cc1cc(n[nH]1)C TS65819 [0,0,0,0,1,0|1,0,0]=2 1404 B7R1.2 Cc1cc(n[nH]1)Cl TS04650 [0,0,0,0,1,0|2,0,0]=3 1405 B7R1.2 Cc1cc(n[nH]1)N TS55479 [0,0,0,0,1,0|2,0,0]=3 1406 B7R1.2 Cc1cc(no1)Br TS65934 [0,0,0,0,1,0|2,0,0]=3 1407 B7R1.2 Cc1cc(no1)N TS48907 [0,0,0,0,1,0|2,0,0]=3 1408 B7R1.2 Cc1cc(no1)N TS60000 [0,0,0,0,1,0|2,0,0]=3 1409 B7R1.2 Cc1cc(no1)O TS31468 [0,0,0,0,1,0|2,0,0]=3 1410 B7R1.2 Cc1cc(on1)C TS08855 [0,0,0,0,1,0|1,0,0]=2 1411 B7R1.2 Cc1cc(on1)N TS02058 [0,0,0,0,1,0|2,0,0]=3 1412 B7R1.2 Cc1cc(sc1)C TS04334 [0,0,0,0,1,0|1,0,0]=2 1413 B7R1.2 Cc1cc(sn1)Br TS60427 [0,0,0,0,1,0|2,0,0]=3 1414 B7R1.2 Cc1cc(sn1)N TS03230 [0,0,0,0,1,0|2,0,0]=3 1415 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,0,0,0,1,0|1,0,0]=2 1416 B7R1.2 Cc1ccc(o1)C TS31370 [0,0,0,0,1,0|1,0,0]=2 1417 B7R1.2 Cc1ccc(s1)Br TS55129 [0,0,0,0,1,0|2,0,0]=3 1418 B7R1.2 Cc1ccc(s1)C TS04332 [0,0,0,0,1,0|1,0,0]=2 1419 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,0,0,0,1,0|2,0,0]=3 1420 B7R1.2 Cc1ccc(s1)I TS23773 [0,0,0,0,1,0|2,0,0]=3 1421 B7R1.2 Cc1ccn(n1)C TS39993 [0,0,0,0,1,0|2,0,0]=3 1422 B7R1.2 Cc1cnc([nH]1)N TS31400 [0,0,0,0,1,0|2,0,0]=3 1423 B7R1.2 Cc1cnc([nH]1)N TS36796 [0,0,0,0,1,0|2,0,0]=3 1424 B7R1.2 Cc1cnc(s1)Br TS55128 [0,0,0,0,1,0|2,0,0]=3 1425 B7R1.2 Cc1cnc(s1)C TS32026 [0,0,0,0,1,0|1,0,0]=2 1426 B7R1.2 Cc1cnc(s1)Cl TS60279 [0,0,0,0,1,0|2,0,0]=3 1427 B7R1.2 Cc1cnn(c1)C TS31378 [0,0,0,0,1,0|1,0,0]=2 1428 B7R1.2 Cc1coc(n1)C TS31396 [0,0,0,0,1,0|2,0,0]=3 1429 B7R1.2 Cc1coc(n1)N TS71223 [0,0,0,0,1,0|3,0,0]=4 1430 B7R1.2 Cc1csc(n1)Br TS08335 [0,0,0,0,1,0|3,0,0]=4 1431 B7R1.2 Cc1csc(n1)C TS00648 [0,0,0,0,1,0|2,0,0]=3 1432 B7R1.2 Cc1csc(n1)Cl TS00890 [0,0,0,0,1,0|3,0,0]=4 1433 B7R1.2 Cc1csc(n1)N TS47415 [0,0,0,0,1,0|3,0,0]=4 1434 B7R1.2 Cc1csc(n1)N TS47417 [0,0,0,0,1,0|3,0,0]=4 1435 B7R1.2 Cc1csc(n1)S TS36626 [0,0,0,0,1,0|3,0,0]=4 1436 B7R1.2 Cc1n[nH]c(=O)o1 TS31491 [0,0,0,0,1,0|3,0,0]=4 1437 B7R1.2 Cc1nc(cs1)Br TS46374 [0,0,0,0,1,0|3,0,0]=4 1438 B7R1.2 Cc1nc(sn1)Cl TS03269 [0,0,0,0,1,0|3,0,0]=4 1439 B7R1.2 Cc1nc(sn1)N TS60419 [0,0,0,0,1,0|3,0,0]=4 1440 B7R1.2 Cc1nnc(o1)N TS09106 [0,0,0,0,1,0|3,0,0]=4 1441 B7R1.2 Cc1nnc(s1)Br TS08355 [0,0,0,0,1,0|3,0,0]=4 1442 B7R1.2 Cc1nnc(s1)C TS04456 [0,0,0,0,1,0|2,0,0]=3 1443 B7R1.2 Cc1nnc(s1)N TS39781 [0,0,0,0,1,0|3,0,0]=4 1444 B7R1.2 Cc1nnc(s1)S TS05770 [0,0,0,0,1,0|3,0,0]=4 1445 B7R1.2 Cn1cc(cn1)Br TS70943 [0,0,0,0,1,0|2,0,0]=3 1446 B7R1.2 Cn1cc(cn1)Cl TS71016 [0,0,0,0,1,0|2,0,0]=3 1447 B7R1.2 Cn1cc(cn1)I TS71181 [0,0,0,0,1,0|2,0,0]=3 1448 B7R1.2 Cn1cc(cn1)N TS90319 [0,0,0,0,1,0|2,0,0]=3 1449 B7R1.2 Cn1cc(nc1)Br TS70942 [0,0,0,0,1,0|2,0,0]=3 1450 B7R1.2 Cn1cc(nc1)I TS71180 [0,0,0,0,1,0|2,0,0]=3 1451 B7R1.2 Cn1cc[n+](c1)C TS07882 [0,0,0,0,1,0|2,0,0]=3 1452 B7R1.2 Cn1cc[n+](c1)C TS94116 [0,0,0,0,1,0|2,0,0]=3 1453 B7R1.2 Cn1ccc(n1)Br TS16852 [0,0,0,0,1,0|3,0,0]=4 1454 B7R1.2 Cn1ccc(n1)I TS89582 [0,0,0,0,1,0|3,0,0]=4 1455 B7R1.2 Cn1ccc(n1)N TS00475 [0,0,0,0,1,0|3,0,0]=4 1456 B7R1.2 Cn1ccc(n1)N TS72253 [0,0,0,0,1,0|3,0,0]=4 1457 B7R1.2 Cn1cnc(n1)Br TS42380 [0,0,0,0,1,0|3,0,0]=4 1458 B7R1.2 c1c(csc1Br)Br TS00598 [0,0,0,0,1,0|3,0,0]=4 1459 B7R1.2 c1c(csc1Cl)Br TS16934 [0,0,0,0,1,0|3,0,0]=4 1460 B7R1.2 c1c(csc1Cl)N TS86871 [0,0,0,0,1,0|3,0,0]=4 1461 B7R1.2 c1c(n[nH]c1O)N TS31472 [0,0,0,0,1,0|3,0,0]=4 1462 B7R1.2 c1c(sc(n1)Br)Br TS47253 [0,0,0,0,1,0|3,0,0]=4 1463 B7R1.2 c1c(sc(n1)Br)Cl TS87424 [0,0,0,0,1,0|3,0,0]=4 1464 B7R1.2 c1c(sc(n1)Br)F TS86403 [0,0,0,0,1,0|3,0,0]=4 1465 B7R1.2 c1c(sc(n1)Cl)Cl TS87233 [0,0,0,0,1,0|3,0,0]=4 1466 B7R1.2 c1c(sc(n1)N)Br TS44723 [0,0,0,0,1,0|3,0,0]=4 1467 B7R1.2 c1c(sc(n1)N)Cl TS12956 [0,0,0,0,1,0|3,0,0]=4 1468 B7R1.2 c1c(sc(n1)N)Cl TS71481 [0,0,0,0,1,0|3,0,0]=4 1469 B7R1.2 c1c(sc(n1)N)F TS32993 [0,0,0,0,1,0|3,0,0]=4 1470 B7R1.2 c1c(sc(n1)S)N TS05769 [0,0,0,0,1,0|3,0,0]=4 1471 B7R1.2 c1cc(oc1Br)Br TS52248 [0,0,0,0,1,0|3,0,0]=4 1472 B7R1.2 c1cc(sc1Br)Br TS39628 [0,0,0,0,1,0|3,0,0]=4 1473 B7R1.2 c1cc(sc1Cl)Br TS18509 [0,0,0,0,1,0|3,0,0]=4 1474 B7R1.2 c1cc(sc1Cl)Cl TS10273 [0,0,0,0,1,0|3,0,0]=4 1475 B7R1.2 c1cc(sc1Cl)[Zn+] TS68672 [0,0,0,0,1,0|3,0,0]=4 1476 B7R1.2 c1cc(sc1I)I TS63999 [0,0,0,0,1,0|3,0,0]=4 1477 B7R1.4 CC1=C(CCC1)C TS03727 [0,0,0,0,1,0|1,0,2]=4 1478 B7R1.4 CC1=CCCC1=O TS31367 [0,0,0,0,1,0|2,0,1]=4 1479 B7R1.4 CC1=CCOC1=O TS03756 [0,0,0,0,1,0|2,0,1]=4 1480 B7R1.4 CC1CCC=C1C TS31386 [0,0,0,0,1,0|1,0,2]=4 1481 B7R1.4 Cc1c([nH]cn1)Br TS11351 [0,0,0,0,1,0|2,0,0]=3 1482 B7R1.4 Cc1c(c[nH]n1)Br TS60050 [0,0,0,0,1,0|2,0,0]=3 1483 B7R1.4 Cc1c(c[nH]n1)I TS20472 [0,0,0,0,1,0|2,0,0]=3 1484 B7R1.4 Cc1c(c[nH]n1)N TS31401 [0,0,0,0,1,0|2,0,0]=3 1485 B7R1.4 Cc1c(cco1)S TS32089 [0,0,0,0,1,0|2,0,0]=3 1486 B7R1.4 Cc1c(cco1)S TS41631 [0,0,0,0,1,0|2,0,0]=3 1487 B7R1.4 Cc1c(ccs1)S TS59980 [0,0,0,0,1,0|2,0,0]=3 1488 B7R1.4 Cc1c(cno1)I TS43576 [0,0,0,0,1,0|3,0,0]=4 1489 B7R1.4 Cc1c(nc[nH]1)C TS31375 [0,0,0,0,1,0|1,0,0]=2 1490 B7R1.4 Cc1c(non1)C TS03773 [0,0,0,0,1,0|2,0,0]=3 1491 B7R1.4 Cc1c(non1)N TS03808 [0,0,0,0,1,0|3,0,0]=4 1492 B7R1.4 Cc1c(ocn1)C TS31395 [0,0,0,0,1,0|1,0,0]=2 1493 B7R1.4 Cc1c(scn1)C TS32025 [0,0,0,0,1,0|1,0,0]=2 1494 B7R1.4 Cc1c(snn1)Cl TS05946 [0,0,0,0,1,0|3,0,0]=4 1495 B7R1.4 Cc1c[nH]cc1C TS89902 [0,0,0,0,1,0|2,0,0]=3 1496 B7R1.4 Cc1c[nH]nc1Br TS85761 [0,0,0,0,1,0|2,0,0]=3 1497 B7R1.4 Cc1ccnn1C TS46819 [0,0,0,0,1,0|1,0,0]=2 1498 B7R1.4 Cc1ccoc1C TS31373 [0,0,0,0,1,0|1,0,0]=2 1499 B7R1.4 Cc1ccsc1Br TS08660 [0,0,0,0,1,0|2,0,0]=3 1500 B7R1.4 Cc1ccsc1C TS04331 [0,0,0,0,1,0|1,0,0]=2 1501 B7R1.4 Cc1ccsc1Cl TS36735 [0,0,0,0,1,0|2,0,0]=3 1502 B7R1.4 Cc1cscc1Br TS09459 [0,0,0,0,1,0|3,0,0]=4 1503 B7R1.4 Cc1cscc1C TS59997 [0,0,0,0,1,0|2,0,0]=3 1504 B7R1.4 Cc1nccn1C TS31380 [0,0,0,0,1,0|1,0,0]=2 1505 B7R1.4 Cn1c(=O)ccs1 TS41073 [0,0,0,0,1,0|3,0,0]=4 1506 B7R1.4 Cn1c(ccn1)N TS00488 [0,0,0,0,1,0|2,0,0]=3 1507 B7R1.4 Cn1c(ncn1)N TS31420 [0,0,0,0,1,0|3,0,0]=4 1508 B7R1.4 Cn1ccnc1Br TS55074 [0,0,0,0,1,0|2,0,0]=3 1509 B7R1.4 Cn1ccnc1Cl TS04651 [0,0,0,0,1,0|2,0,0]=3 1510 B7R1.4 Cn1ccnc1I TS01066 [0,0,0,0,1,0|2,0,0]=3 1511 B7R1.4 Cn1ccnc1S TS60134 [0,0,0,0,1,0|2,0,0]=3 1512 B7R1.4 Cn1cnnc1S TS32148 [0,0,0,0,1,0|3,0,0]=4 1513 B7R1.4 c1[nH]c(c(n1)Br)Br TS02894 [0,0,0,0,1,0|3,0,0]=4 1514 B7R1.4 c1[nH]c(c(n1)Cl)Cl TS06153 [0,0,0,0,1,0|3,0,0]=4 1515 B7R1.4 c1[nH]c(c(n1)I)I TS02910 [0,0,0,0,1,0|3,0,0]=4 1516 B7R1.4 c1c(c(n[nH]1)I)I TS02551 [0,0,0,0,1,0|3,0,0]=4 1517 B7R1.4 c1c(c(n[nH]1)N)Br TS91034 [0,0,0,0,1,0|3,0,0]=4 1518 B7R1.4 c1coc(c1Br)Br TS52249 [0,0,0,0,1,0|3,0,0]=4 1519 B7R1.4 c1csc(c1Br)Br TS47143 [0,0,0,0,1,0|3,0,0]=4 1520 B7R1.4 c1csc(c1Br)Cl TS16859 [0,0,0,0,1,0|3,0,0]=4 1521 B7R1.4 c1csc(c1Cl)Cl TS10274 [0,0,0,0,1,0|3,0,0]=4 1522 B9R1.48 CC1=CC(=NCCN1)C TS52091 [0,0,0,0,0,1|0,0,2]=3 1523 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,1,0,0,0|2,0,0]=4 1524 B6R0.1 CC(CC=C)C=C TS31383 [1,0,1,0,0,0|1,0,1]=4 1525 B6R0.1 CC=C(C)CC=C TS03736 [1,0,1,0,0,0|1,0,0]=3 1526 B6R0.1 CC=CC(=CC)C TS31385 [1,0,1,0,0,0|0,0,1]=3 1527 B6R0.1 CCC=C(C)C=O TS03779 [1,0,1,0,0,0|1,0,1]=4 1528 B6R0.2 CC(=C)OC(=O)C TS03841 [1,0,1,0,0,0|2,0,0]=4 1529 B6R0.2 CC(=CC(=C)C)C TS03733 [1,0,1,0,0,0|0,0,1]=3 1530 B6R0.2 CC(=CC(=O)C)C TS31432 [1,0,1,0,0,0|1,0,1]=4 1531 B6R0.2 CC(=CC(=O)C)N TS03815 [1,0,1,0,0,0|1,0,1]=4 1532 B6R0.2 CC(=CC(=O)C)[O-] TS06421 [1,0,1,0,0,0|2,0,0]=4 1533 B6R0.2 CC(=CC(=O)C)[O-] TS31723 [1,0,1,0,0,0|2,0,0]=4 1534 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|2,0,0]=4 1535 B6R0.4 CC(=C)CCC=C TS03725 [1,0,1,0,0,0|1,0,1]=4 1536 B6R0.4 CC(=CCC=C)C TS03719 [1,0,1,0,0,0|1,0,1]=4 1537 B6R0.4 CC(=O)C=COC TS03850 [1,0,1,0,0,0|2,0,0]=4 1538 B6R0.4 CC(C)C=CC=C TS31391 [1,0,1,0,0,0|1,0,1]=4 1539 B6R0.4 CCC=CC(=O)C TS31424 [1,0,1,0,0,0|1,0,1]=4 1540 B6R0.6 C(=CC=O)C=CBr TS11348 [1,0,1,0,0,0|2,0,0]=4 1541 B6R0.6 CC=CC=CC#N TS71880 [1,0,1,0,0,0|0,0,2]=4 1542 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|1,0,0]=3 1543 B6R0.6 CC=CC=CCO TS31427 [1,0,1,0,0,0|1,0,1]=4 1544 B6R1.1 C1CC=CC=C1 TS49690 [2,0,0,0,0,0|1,0,1]=4 1545 B6R1.1 c1cc[nH+]cc1 TS05076 [2,0,0,0,0,0|0,0,1]=3 1546 B6R1.1 c1cc[nH+]cc1 TS06368 [2,0,0,0,0,0|0,0,1]=3 1547 B6R1.1 c1cc[nH+]cc1 TS18771 [2,0,0,0,0,0|0,0,1]=3 1548 B6R1.1 c1cc[nH+]cc1 TS39933 [2,0,0,0,0,0|0,0,1]=3 1549 B6R1.1 c1cc[nH+]cc1 TS77092 [2,0,0,0,0,0|0,0,1]=3 1550 B6R1.1 c1ccccc1 TS03437 [2,0,0,0,0,0|1,0,0]=3 1551 B6R1.1 c1ccccc1 TS34696 [2,0,0,0,0,0|1,0,0]=3 1552 B6R1.1 c1ccccc1 TS83230 [2,0,0,0,0,0|1,0,0]=3 1553 B6R1.1 c1ccncc1 TS03813 [2,0,0,0,0,0|0,0,0]=2 1554 B6R1.1 c1ccncc1 TS13697 [2,0,0,0,0,0|0,0,0]=2 1555 B6R1.1 c1ccncc1 TS26725 [2,0,0,0,0,0|0,0,0]=2 1556 B6R1.1 c1ccncc1 TS39930 [2,0,0,0,0,0|0,0,0]=2 1557 B6R1.1 c1ccncc1 TS42102 [2,0,0,0,0,0|0,0,0]=2 1558 B6R1.1 c1ccncc1 TS59378 [2,0,0,0,0,0|0,0,0]=2 1559 B6R1.1 c1ccncc1 TS71658 [2,0,0,0,0,0|0,0,0]=2 1560 B6R1.1 c1ccncc1 TS78229 [2,0,0,0,0,0|0,0,0]=2 1561 B6R1.1 c1ccncc1 TS80042 [2,0,0,0,0,0|0,0,0]=2 1562 B6R1.1 c1ccnnc1 TS00218 [2,0,0,0,0,0|1,0,0]=3 1563 B6R1.1 c1cnccn1 TS09080 [2,0,0,0,0,0|1,0,0]=3 1564 B6R1.1 c1cncnc1 TS71665 [2,0,0,0,0,0|1,0,0]=3 1565 B6R1.1 c1ncncn1 TS03441 [2,0,0,0,0,0|2,0,0]=4 1566 B8R0.6 CC=CC=CC(=O)OC TS05163 [0,1,1,0,0,0|2,0,0]=4 1567 B8R0.28 CC(=C)CC=CC(=C)C TS32532 [0,1,1,0,0,0|1,0,0]=3 1568 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,1,1,0,0,0|1,0,1]=4 1569 B8R0.1 CC=CC(=O)OCC=C TS36127 [0,1,1,0,0,0|2,0,0]=4 1570 B8R1.2 C#Cc1ccccc1 TS39865 [1,1,0,0,0,0|1,0,1]=4 1571 B8R1.2 C#Cc1ccccn1 TS55319 [1,1,0,0,0,0|0,0,1]=3 1572 B8R1.2 C#Cc1cccnn1 TS91729 [1,1,0,0,0,0|1,0,1]=4 1573 B8R1.2 C#Cc1ccncc1 TS71113 [1,1,0,0,0,0|0,0,1]=3 1574 B8R1.2 C#Cc1ccncc1 TS90305 [1,1,0,0,0,0|0,0,1]=3 1575 B8R1.2 C#Cc1cnccn1 TS87522 [1,1,0,0,0,0|1,0,1]=4 1576 B8R1.2 C=Cc1ccccc1 TS04045 [1,1,0,0,0,0|1,0,1]=4 1577 B8R1.2 C=Cc1ccccn1 TS31704 [1,1,0,0,0,0|0,0,1]=3 1578 B8R1.2 C=Cc1ccncc1 TS33177 [1,1,0,0,0,0|0,0,1]=3 1579 B8R1.2 C=Cc1cnccn1 TS04089 [1,1,0,0,0,0|1,0,1]=4 1580 B8R1.2 CCC1=CCC=CC1 TS04142 [1,1,0,0,0,0|1,0,1]=4 1581 B8R1.2 CC[n+]1ccccc1 TS40125 [1,1,0,0,0,0|2,0,0]=4 1582 B8R1.2 CC[n+]1ccccc1 TS50650 [1,1,0,0,0,0|2,0,0]=4 1583 B8R1.2 CCc1ccccc1 TS04102 [1,1,0,0,0,0|1,0,0]=3 1584 B8R1.2 CCc1ccccn1 TS55316 [1,1,0,0,0,0|0,0,0]=2 1585 B8R1.2 CCc1cccnc1 TS04113 [1,1,0,0,0,0|2,0,0]=4 1586 B8R1.2 CCc1ccncc1 TS04110 [1,1,0,0,0,0|0,0,0]=2 1587 B8R1.2 CCc1cnccn1 TS31774 [1,1,0,0,0,0|1,0,0]=3 1588 B8R1.2 CNc1ccccc1 TS31758 [1,1,0,0,0,0|1,0,0]=3 1589 B8R1.2 CNc1ccccc1 TS40129 [1,1,0,0,0,0|1,0,0]=3 1590 B8R1.2 CNc1ccccn1 TS22814 [1,1,0,0,0,0|0,0,0]=2 1591 B8R1.2 CNc1cccnc1 TS09432 [1,1,0,0,0,0|2,0,0]=4 1592 B8R1.2 CNc1ccncc1 TS16891 [1,1,0,0,0,0|0,0,0]=2 1593 B8R1.2 CNc1cnccn1 TS31803 [1,1,0,0,0,0|1,0,0]=3 1594 B8R1.2 CNc1ncccn1 TS31802 [1,1,0,0,0,0|1,0,0]=3 1595 B8R1.2 COc1ccccc1 TS39801 [1,1,0,0,0,0|1,0,0]=3 1596 B8R1.2 COc1cccnn1 TS02827 [1,1,0,0,0,0|1,0,0]=3 1597 B8R1.2 COc1ccncc1 TS03163 [1,1,0,0,0,0|0,0,0]=2 1598 B8R1.2 COc1ccncn1 TS31815 [1,1,0,0,0,0|1,0,0]=3 1599 B8R1.2 COc1cnccn1 TS55429 [1,1,0,0,0,0|1,0,0]=3 1600 B8R1.2 COc1ncccn1 TS31823 [1,1,0,0,0,0|1,0,0]=3 1601 B8R1.2 CPc1ccccc1 TS32592 [1,1,0,0,0,0|1,0,0]=3 1602 B8R1.2 CSc1ccccc1 TS36022 [1,1,0,0,0,0|1,0,0]=3 1603 B8R1.2 CSc1ccccn1 TS05101 [1,1,0,0,0,0|0,0,0]=2 1604 B8R1.2 CSc1cccnc1 TS05108 [1,1,0,0,0,0|2,0,0]=4 1605 B8R1.2 CSc1cnccn1 TS55418 [1,1,0,0,0,0|1,0,0]=3 1606 B8R1.2 CSc1ncccn1 TS36144 [1,1,0,0,0,0|1,0,0]=3 1607 B8R1.2 CSc1nccnn1 TS70681 [1,1,0,0,0,0|2,0,0]=4 1608 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,1,0,0,0,0|1,0,0]=3 1609 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,1,0,0,0,0|1,0,0]=3 1610 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,1,0,0,0,0|1,0,1]=4 1611 B8R1.2 c1cc(cnc1)CBr TS09437 [1,1,0,0,0,0|2,0,0]=4 1612 B8R1.2 c1cc(cnc1)CCl TS00113 [1,1,0,0,0,0|2,0,0]=4 1613 B8R1.2 c1cc(cnc1)CCl TS02031 [1,1,0,0,0,0|2,0,0]=4 1614 B8R1.2 c1cc(cnc1)CI TS49544 [1,1,0,0,0,0|2,0,0]=4 1615 B8R1.2 c1cc(cnc1)CI TS64566 [1,1,0,0,0,0|2,0,0]=4 1616 B8R1.2 c1cc(cnc1)CN TS02883 [1,1,0,0,0,0|2,0,0]=4 1617 B8R1.2 c1cc(cnc1)CO TS92960 [1,1,0,0,0,0|2,0,0]=4 1618 B8R1.2 c1cc(cnc1)CO TS93835 [1,1,0,0,0,0|2,0,0]=4 1619 B8R1.2 c1cc(nnc1)C#N TS87766 [1,1,0,0,0,0|1,0,1]=4 1620 B8R1.2 c1cc(nnc1)C=O TS59366 [1,1,0,0,0,0|1,0,1]=4 1621 B8R1.2 c1cc(nnc1)CCl TS90180 [1,1,0,0,0,0|1,0,0]=3 1622 B8R1.2 c1cc(nnc1)CN TS90318 [1,1,0,0,0,0|1,0,0]=3 1623 B8R1.2 c1cc(nnc1)CO TS59365 [1,1,0,0,0,0|1,0,0]=3 1624 B8R1.2 c1ccc(cc1)C#N TS01882 [1,1,0,0,0,0|1,0,1]=4 1625 B8R1.2 c1ccc(cc1)C#N TS80489 [1,1,0,0,0,0|1,0,1]=4 1626 B8R1.2 c1ccc(cc1)C=O TS43757 [1,1,0,0,0,0|1,0,1]=4 1627 B8R1.2 c1ccc(cc1)CCl TS36191 [1,1,0,0,0,0|1,0,0]=3 1628 B8R1.2 c1ccc(cc1)CF TS31826 [1,1,0,0,0,0|1,0,0]=3 1629 B8R1.2 c1ccc(cc1)CI TS09176 [1,1,0,0,0,0|1,0,0]=3 1630 B8R1.2 c1ccc(cc1)CN TS01379 [1,1,0,0,0,0|1,0,0]=3 1631 B8R1.2 c1ccc(cc1)CN TS40124 [1,1,0,0,0,0|1,0,0]=3 1632 B8R1.2 c1ccc(cc1)CO TS31769 [1,1,0,0,0,0|1,0,0]=3 1633 B8R1.2 c1ccc(cc1)CS TS36023 [1,1,0,0,0,0|1,0,0]=3 1634 B8R1.2 c1ccc(cc1)I=O TS49692 [1,1,0,0,0,0|2,0,0]=4 1635 B8R1.2 c1ccc(cc1)N=O TS31751 [1,1,0,0,0,0|2,0,0]=4 1636 B8R1.2 c1ccc(cc1)NN TS07047 [1,1,0,0,0,0|2,0,0]=4 1637 B8R1.2 c1ccc(cc1)NN TS31771 [1,1,0,0,0,0|2,0,0]=4 1638 B8R1.2 c1ccc(cc1)NN TS61145 [1,1,0,0,0,0|2,0,0]=4 1639 B8R1.2 c1ccc(cc1)NN TS76102 [1,1,0,0,0,0|2,0,0]=4 1640 B8R1.2 c1ccc(cc1)NO TS31793 [1,1,0,0,0,0|2,0,0]=4 1641 B8R1.2 c1ccc(cc1)NO TS37696 [1,1,0,0,0,0|2,0,0]=4 1642 B8R1.2 c1ccc(cc1)ON TS07146 [1,1,0,0,0,0|2,0,0]=4 1643 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,1,0,0,0,0|2,0,0]=4 1644 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,1,0,0,0,0|2,0,0]=4 1645 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,1,0,0,0,0|2,0,0]=4 1646 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,1,0,0,0,0|2,0,0]=4 1647 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,1,0,0,0,0|2,0,0]=4 1648 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,1,0,0,0,0|2,0,0]=4 1649 B8R1.2 c1ccnc(c1)C#N TS59347 [1,1,0,0,0,0|0,0,1]=3 1650 B8R1.2 c1ccnc(c1)C=O TS02469 [1,1,0,0,0,0|0,0,1]=3 1651 B8R1.2 c1ccnc(c1)CBr TS47083 [1,1,0,0,0,0|0,0,0]=2 1652 B8R1.2 c1ccnc(c1)CCl TS47089 [1,1,0,0,0,0|0,0,0]=2 1653 B8R1.2 c1ccnc(c1)CCl TS47090 [1,1,0,0,0,0|0,0,0]=2 1654 B8R1.2 c1ccnc(c1)CN TS00811 [1,1,0,0,0,0|0,0,0]=2 1655 B8R1.2 c1ccnc(c1)CO TS07144 [1,1,0,0,0,0|0,0,0]=2 1656 B8R1.2 c1ccnc(c1)CO TS31798 [1,1,0,0,0,0|0,0,0]=2 1657 B8R1.2 c1ccnc(c1)CS TS05100 [1,1,0,0,0,0|0,0,0]=2 1658 B8R1.2 c1ccnc(c1)NN TS14875 [1,1,0,0,0,0|1,0,0]=3 1659 B8R1.2 c1ccnc(c1)NN TS55380 [1,1,0,0,0,0|1,0,0]=3 1660 B8R1.2 c1cnc(cn1)C#N TS55308 [1,1,0,0,0,0|1,0,1]=4 1661 B8R1.2 c1cnc(cn1)C=O TS31759 [1,1,0,0,0,0|1,0,1]=4 1662 B8R1.2 c1cnc(cn1)CCl TS88127 [1,1,0,0,0,0|1,0,0]=3 1663 B8R1.2 c1cnc(cn1)CN TS01661 [1,1,0,0,0,0|1,0,0]=3 1664 B8R1.2 c1cnc(cn1)CO TS88438 [1,1,0,0,0,0|1,0,0]=3 1665 B8R1.2 c1cnc(cn1)CS TS36139 [1,1,0,0,0,0|1,0,0]=3 1666 B8R1.2 c1cnc(cn1)NN TS55379 [1,1,0,0,0,0|2,0,0]=4 1667 B8R1.2 c1cnc(nc1)C#N TS00975 [1,1,0,0,0,0|1,0,1]=4 1668 B8R1.2 c1cnc(nc1)C=O TS02479 [1,1,0,0,0,0|1,0,1]=4 1669 B8R1.2 c1cnc(nc1)CCl TS47091 [1,1,0,0,0,0|1,0,0]=3 1670 B8R1.2 c1cnc(nc1)CCl TS88108 [1,1,0,0,0,0|1,0,0]=3 1671 B8R1.2 c1cnc(nc1)CN TS02480 [1,1,0,0,0,0|1,0,0]=3 1672 B8R1.2 c1cnc(nc1)CO TS00517 [1,1,0,0,0,0|1,0,0]=3 1673 B8R1.2 c1cnc(nc1)NN TS85548 [1,1,0,0,0,0|2,0,0]=4 1674 B8R1.2 c1cnccc1C#N TS03069 [1,1,0,0,0,0|0,0,1]=3 1675 B8R1.2 c1cnccc1C=O TS59369 [1,1,0,0,0,0|0,0,1]=3 1676 B8R1.2 c1cnccc1CBr TS39318 [1,1,0,0,0,0|0,0,0]=2 1677 B8R1.2 c1cnccc1CCl TS16903 [1,1,0,0,0,0|0,0,0]=2 1678 B8R1.2 c1cnccc1CN TS31773 [1,1,0,0,0,0|0,0,0]=2 1679 B8R1.2 c1cnccc1CO TS07149 [1,1,0,0,0,0|0,0,0]=2 1680 B8R1.2 c1cnccc1CO TS71297 [1,1,0,0,0,0|0,0,0]=2 1681 B8R1.2 c1cnccc1NN TS89841 [1,1,0,0,0,0|1,0,0]=3 1682 B8R1.2 c1cncnc1C=O TS01666 [1,1,0,0,0,0|1,0,1]=4 1683 B8R1.2 c1cncnc1CN TS16892 [1,1,0,0,0,0|1,0,0]=3 1684 B8R1.2 c1cncnc1CN TS85609 [1,1,0,0,0,0|1,0,0]=3 1685 B8R1.2 c1cncnc1CO TS33139 [1,1,0,0,0,0|1,0,0]=3 1686 B8R1.2 c1cnncc1C#N TS87033 [1,1,0,0,0,0|1,0,1]=4 1687 B8R1.2 c1cnncc1C=O TS87334 [1,1,0,0,0,0|1,0,1]=4 1688 B8R1.2 c1cnncc1CN TS90837 [1,1,0,0,0,0|1,0,0]=3 1689 B8R1.2 c1cnncc1CO TS89532 [1,1,0,0,0,0|1,0,0]=3 1690 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [1,1,0,0,0,0|2,0,0]=4 1691 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [1,1,0,0,0,0|2,0,0]=4 1692 B8R1.3 Cc1cc[n+](cc1)C TS25680 [1,1,0,0,0,0|0,0,1]=3 1693 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [1,1,0,0,0,0|1,0,1]=4 1694 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [1,1,0,0,0,0|1,0,0]=3 1695 B8R1.3 Cc1ccc(cc1)Br TS09620 [1,1,0,0,0,0|1,0,0]=3 1696 B8R1.3 Cc1ccc(cc1)C TS04096 [1,1,0,0,0,0|1,0,0]=3 1697 B8R1.3 Cc1ccc(cc1)C TS77016 [1,1,0,0,0,0|1,0,0]=3 1698 B8R1.3 Cc1ccc(cc1)Cl TS39593 [1,1,0,0,0,0|1,0,0]=3 1699 B8R1.3 Cc1ccc(cc1)F TS31829 [1,1,0,0,0,0|1,0,0]=3 1700 B8R1.3 Cc1ccc(cc1)I TS07804 [1,1,0,0,0,0|1,0,0]=3 1701 B8R1.3 Cc1ccc(cc1)I TS67797 [1,1,0,0,0,0|1,0,0]=3 1702 B8R1.3 Cc1ccc(cc1)N TS04112 [1,1,0,0,0,0|1,0,0]=3 1703 B8R1.3 Cc1ccc(cc1)N TS40127 [1,1,0,0,0,0|1,0,0]=3 1704 B8R1.3 Cc1ccc(cc1)O TS05157 [1,1,0,0,0,0|1,0,0]=3 1705 B8R1.3 Cc1ccc(cc1)O TS94395 [1,1,0,0,0,0|1,0,0]=3 1706 B8R1.3 Cc1ccc(cc1)P TS32593 [1,1,0,0,0,0|1,0,0]=3 1707 B8R1.3 Cc1ccc(cc1)S TS39763 [1,1,0,0,0,0|1,0,0]=3 1708 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [1,1,0,0,0,0|1,0,0]=3 1709 B8R1.3 Cc1ccc(cn1)Br TS09799 [1,1,0,0,0,0|0,0,0]=2 1710 B8R1.3 Cc1ccc(cn1)Cl TS71507 [1,1,0,0,0,0|0,0,0]=2 1711 B8R1.3 Cc1ccc(cn1)F TS03302 [1,1,0,0,0,0|0,0,0]=2 1712 B8R1.3 Cc1ccc(cn1)I TS71574 [1,1,0,0,0,0|0,0,0]=2 1713 B8R1.3 Cc1ccc(cn1)N TS65872 [1,1,0,0,0,0|0,0,0]=2 1714 B8R1.3 Cc1ccc(cn1)O TS71569 [1,1,0,0,0,0|0,0,0]=2 1715 B8R1.3 Cc1ccc(nc1)Br TS55127 [1,1,0,0,0,0|1,0,0]=3 1716 B8R1.3 Cc1ccc(nc1)C TS47280 [1,1,0,0,0,0|0,0,0]=2 1717 B8R1.3 Cc1ccc(nc1)Cl TS00914 [1,1,0,0,0,0|1,0,0]=3 1718 B8R1.3 Cc1ccc(nc1)F TS01010 [1,1,0,0,0,0|1,0,0]=3 1719 B8R1.3 Cc1ccc(nc1)N TS07049 [1,1,0,0,0,0|1,0,0]=3 1720 B8R1.3 Cc1ccc(nc1)N TS47444 [1,1,0,0,0,0|1,0,0]=3 1721 B8R1.3 Cc1ccc(nc1)O TS01053 [1,1,0,0,0,0|1,0,0]=3 1722 B8R1.3 Cc1ccc(nc1)S TS05105 [1,1,0,0,0,0|1,0,0]=3 1723 B8R1.3 Cc1ccc(nn1)Br TS89616 [1,1,0,0,0,0|1,0,0]=3 1724 B8R1.3 Cc1ccc(nn1)C TS94711 [1,1,0,0,0,0|1,0,0]=3 1725 B8R1.3 Cc1ccc(nn1)Cl TS02708 [1,1,0,0,0,0|1,0,0]=3 1726 B8R1.3 Cc1ccc(nn1)I TS85912 [1,1,0,0,0,0|1,0,0]=3 1727 B8R1.3 Cc1ccc(nn1)N TS91497 [1,1,0,0,0,0|1,0,0]=3 1728 B8R1.3 Cc1ccn(=O)cc1 TS09774 [1,1,0,0,0,0|0,0,1]=3 1729 B8R1.3 Cc1cnc(cn1)Br TS89981 [1,1,0,0,0,0|1,0,0]=3 1730 B8R1.3 Cc1cnc(cn1)C TS47279 [1,1,0,0,0,0|1,0,0]=3 1731 B8R1.3 Cc1cnc(cn1)N TS47443 [1,1,0,0,0,0|1,0,0]=3 1732 B8R1.3 Cc1cnc(nc1)Cl TS00915 [1,1,0,0,0,0|2,0,0]=4 1733 B8R1.3 Cc1cnc(nc1)N TS47445 [1,1,0,0,0,0|2,0,0]=4 1734 B8R1.3 Cc1ncc(cn1)Br TS87704 [1,1,0,0,0,0|1,0,0]=3 1735 B8R1.3 Cc1ncc(cn1)N TS03220 [1,1,0,0,0,0|1,0,0]=3 1736 B8R1.3 Cc1ncc(cn1)O TS02449 [1,1,0,0,0,0|1,0,0]=3 1737 B8R1.3 c1c(cnc(=O)[nH]1)I TS01050 [1,1,0,0,0,0|2,0,0]=4 1738 B8R1.3 c1c(cnc(n1)Br)Br TS47251 [1,1,0,0,0,0|2,0,0]=4 1739 B8R1.3 c1c(cnc(n1)Br)F TS01773 [1,1,0,0,0,0|2,0,0]=4 1740 B8R1.3 c1c(cnc(n1)Br)N TS71354 [1,1,0,0,0,0|2,0,0]=4 1741 B8R1.3 c1c(cnc(n1)Br)O TS90862 [1,1,0,0,0,0|2,0,0]=4 1742 B8R1.3 c1c(cnc(n1)Cl)Br TS00904 [1,1,0,0,0,0|2,0,0]=4 1743 B8R1.3 c1c(cnc(n1)Cl)Br TS93692 [1,1,0,0,0,0|2,0,0]=4 1744 B8R1.3 c1c(cnc(n1)Cl)Cl TS00668 [1,1,0,0,0,0|2,0,0]=4 1745 B8R1.3 c1c(cnc(n1)Cl)F TS86944 [1,1,0,0,0,0|2,0,0]=4 1746 B8R1.3 c1c(cnc(n1)Cl)N TS71358 [1,1,0,0,0,0|2,0,0]=4 1747 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [1,1,0,0,0,0|2,0,0]=4 1748 B8R1.3 c1c(cnc(n1)F)Br TS39343 [1,1,0,0,0,0|2,0,0]=4 1749 B8R1.3 c1c(cnc(n1)F)N TS32005 [1,1,0,0,0,0|2,0,0]=4 1750 B8R1.3 c1c(cnc(n1)I)Br TS09787 [1,1,0,0,0,0|2,0,0]=4 1751 B8R1.3 c1c(cnc(n1)I)Cl TS71499 [1,1,0,0,0,0|2,0,0]=4 1752 B8R1.3 c1c(cnc(n1)N)Br TS09814 [1,1,0,0,0,0|2,0,0]=4 1753 B8R1.3 c1c(cnc(n1)N)Cl TS00779 [1,1,0,0,0,0|2,0,0]=4 1754 B8R1.3 c1c(cnc(n1)N)I TS47436 [1,1,0,0,0,0|2,0,0]=4 1755 B8R1.3 c1c(cnc(n1)N)N TS47241 [1,1,0,0,0,0|2,0,0]=4 1756 B8R1.3 c1c(cnc(n1)N)O TS00791 [1,1,0,0,0,0|2,0,0]=4 1757 B8R1.3 c1c(cnc(n1)O)Br TS09782 [1,1,0,0,0,0|2,0,0]=4 1758 B8R1.3 c1c(cnc(n1)O)Br TS94911 [1,1,0,0,0,0|2,0,0]=4 1759 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [1,1,0,0,0,0|2,0,0]=4 1760 B8R1.3 c1c(ncc(n1)Br)Br TS47250 [1,1,0,0,0,0|2,0,0]=4 1761 B8R1.3 c1c(ncc(n1)Br)Cl TS89584 [1,1,0,0,0,0|2,0,0]=4 1762 B8R1.3 c1c(ncc(n1)Br)N TS47430 [1,1,0,0,0,0|2,0,0]=4 1763 B8R1.3 c1c(ncc(n1)Br)O TS08345 [1,1,0,0,0,0|2,0,0]=4 1764 B8R1.3 c1c(ncc(n1)Cl)Cl TS00665 [1,1,0,0,0,0|2,0,0]=4 1765 B8R1.3 c1c(ncc(n1)Cl)N TS00777 [1,1,0,0,0,0|2,0,0]=4 1766 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [1,1,0,0,0,0|2,0,0]=4 1767 B8R1.3 c1c(ncc(n1)I)Br TS89956 [1,1,0,0,0,0|2,0,0]=4 1768 B8R1.3 c1c[n+](ccc1F)[O-] TS87895 [1,1,0,0,0,0|1,0,1]=4 1769 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [1,1,0,0,0,0|1,0,1]=4 1770 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [1,1,0,0,0,0|1,0,1]=4 1771 B8R1.3 c1cc(ccc1Br)Br TS07885 [1,1,0,0,0,0|2,0,0]=4 1772 B8R1.3 c1cc(ccc1Br)I TS00413 [1,1,0,0,0,0|2,0,0]=4 1773 B8R1.3 c1cc(ccc1Cl)Br TS09601 [1,1,0,0,0,0|2,0,0]=4 1774 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [1,1,0,0,0,0|2,0,0]=4 1775 B8R1.3 c1cc(ccc1Cl)I TS64993 [1,1,0,0,0,0|2,0,0]=4 1776 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [1,1,0,0,0,0|2,0,0]=4 1777 B8R1.3 c1cc(ccc1F)Br TS09602 [1,1,0,0,0,0|2,0,0]=4 1778 B8R1.3 c1cc(ccc1F)Cl TS09203 [1,1,0,0,0,0|2,0,0]=4 1779 B8R1.3 c1cc(ccc1F)F TS59891 [1,1,0,0,0,0|2,0,0]=4 1780 B8R1.3 c1cc(ccc1F)I TS39508 [1,1,0,0,0,0|2,0,0]=4 1781 B8R1.3 c1cc(ccc1F)S TS05333 [1,1,0,0,0,0|2,0,0]=4 1782 B8R1.3 c1cc(ccc1F)S TS12288 [1,1,0,0,0,0|2,0,0]=4 1783 B8R1.3 c1cc(ccc1I)I TS46809 [1,1,0,0,0,0|2,0,0]=4 1784 B8R1.3 c1cc(ccc1N)Br TS70992 [1,1,0,0,0,0|2,0,0]=4 1785 B8R1.3 c1cc(ccc1N)Cl TS42659 [1,1,0,0,0,0|2,0,0]=4 1786 B8R1.3 c1cc(ccc1N)Cl TS71059 [1,1,0,0,0,0|2,0,0]=4 1787 B8R1.3 c1cc(ccc1N)F TS71137 [1,1,0,0,0,0|2,0,0]=4 1788 B8R1.3 c1cc(ccc1N)I TS71193 [1,1,0,0,0,0|2,0,0]=4 1789 B8R1.3 c1cc(ccc1N)N TS38978 [1,1,0,0,0,0|2,0,0]=4 1790 B8R1.3 c1cc(ccc1N)O TS07145 [1,1,0,0,0,0|2,0,0]=4 1791 B8R1.3 c1cc(ccc1N)O TS59709 [1,1,0,0,0,0|2,0,0]=4 1792 B8R1.3 c1cc(ccc1N)S TS39734 [1,1,0,0,0,0|2,0,0]=4 1793 B8R1.3 c1cc(ccc1O)Cl TS36377 [1,1,0,0,0,0|2,0,0]=4 1794 B8R1.3 c1cc(ccc1O)Cl TS40947 [1,1,0,0,0,0|2,0,0]=4 1795 B8R1.3 c1cc(ccc1O)F TS33165 [1,1,0,0,0,0|2,0,0]=4 1796 B8R1.3 c1cc(ccc1O)I TS59518 [1,1,0,0,0,0|2,0,0]=4 1797 B8R1.3 c1cc(ccc1O)O TS01676 [1,1,0,0,0,0|2,0,0]=4 1798 B8R1.3 c1cc(ccc1O)O TS02292 [1,1,0,0,0,0|2,0,0]=4 1799 B8R1.3 c1cc(ccc1O)O TS24537 [1,1,0,0,0,0|2,0,0]=4 1800 B8R1.3 c1cc(ccc1O)S TS36138 [1,1,0,0,0,0|2,0,0]=4 1801 B8R1.3 c1cc(ccc1S)Br TS39741 [1,1,0,0,0,0|2,0,0]=4 1802 B8R1.3 c1cc(ccc1S)Cl TS07052 [1,1,0,0,0,0|2,0,0]=4 1803 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [1,1,0,0,0,0|2,0,0]=4 1804 B8R1.3 c1cc(n[nH]c1=O)Cl TS55572 [1,1,0,0,0,0|2,0,0]=4 1805 B8R1.3 c1cc(ncc1Br)Br TS25985 [1,1,0,0,0,0|1,0,0]=3 1806 B8R1.3 c1cc(ncc1Br)Cl TS71413 [1,1,0,0,0,0|1,0,0]=3 1807 B8R1.3 c1cc(ncc1Br)F TS71426 [1,1,0,0,0,0|1,0,0]=3 1808 B8R1.3 c1cc(ncc1Br)I TS09786 [1,1,0,0,0,0|1,0,0]=3 1809 B8R1.3 c1cc(ncc1Br)N TS47431 [1,1,0,0,0,0|1,0,0]=3 1810 B8R1.3 c1cc(ncc1Br)N TS90623 [1,1,0,0,0,0|1,0,0]=3 1811 B8R1.3 c1cc(ncc1Br)O TS09781 [1,1,0,0,0,0|1,0,0]=3 1812 B8R1.3 c1cc(ncc1Cl)Br TS55123 [1,1,0,0,0,0|1,0,0]=3 1813 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [1,1,0,0,0,0|1,0,0]=3 1814 B8R1.3 c1cc(ncc1Cl)F TS71487 [1,1,0,0,0,0|1,0,0]=3 1815 B8R1.3 c1cc(ncc1Cl)I TS71498 [1,1,0,0,0,0|1,0,0]=3 1816 B8R1.3 c1cc(ncc1Cl)N TS00778 [1,1,0,0,0,0|1,0,0]=3 1817 B8R1.3 c1cc(ncc1Cl)O TS71496 [1,1,0,0,0,0|1,0,0]=3 1818 B8R1.3 c1cc(ncc1F)Br TS08342 [1,1,0,0,0,0|1,0,0]=3 1819 B8R1.3 c1cc(ncc1F)Cl TS85452 [1,1,0,0,0,0|1,0,0]=3 1820 B8R1.3 c1cc(ncc1F)F TS47260 [1,1,0,0,0,0|1,0,0]=3 1821 B8R1.3 c1cc(ncc1F)I TS50245 [1,1,0,0,0,0|1,0,0]=3 1822 B8R1.3 c1cc(ncc1F)N TS00788 [1,1,0,0,0,0|1,0,0]=3 1823 B8R1.3 c1cc(ncc1F)N TS85448 [1,1,0,0,0,0|1,0,0]=3 1824 B8R1.3 c1cc(ncc1F)O TS71538 [1,1,0,0,0,0|1,0,0]=3 1825 B8R1.3 c1cc(ncc1I)Br TS08347 [1,1,0,0,0,0|1,0,0]=3 1826 B8R1.3 c1cc(ncc1I)Cl TS55251 [1,1,0,0,0,0|1,0,0]=3 1827 B8R1.3 c1cc(ncc1I)F TS85441 [1,1,0,0,0,0|1,0,0]=3 1828 B8R1.3 c1cc(ncc1I)I TS59927 [1,1,0,0,0,0|1,0,0]=3 1829 B8R1.3 c1cc(ncc1I)N TS47435 [1,1,0,0,0,0|1,0,0]=3 1830 B8R1.3 c1cc(ncc1I)O TS60294 [1,1,0,0,0,0|1,0,0]=3 1831 B8R1.3 c1cc(ncc1N)Br TS65865 [1,1,0,0,0,0|1,0,0]=3 1832 B8R1.3 c1cc(ncc1N)Cl TS71356 [1,1,0,0,0,0|1,0,0]=3 1833 B8R1.3 c1cc(ncc1N)F TS01234 [1,1,0,0,0,0|1,0,0]=3 1834 B8R1.3 c1cc(ncc1N)I TS71363 [1,1,0,0,0,0|1,0,0]=3 1835 B8R1.3 c1cc(ncc1N)N TS47239 [1,1,0,0,0,0|1,0,0]=3 1836 B8R1.3 c1cc(ncc1N)N TS47240 [1,1,0,0,0,0|1,0,0]=3 1837 B8R1.3 c1cc(ncc1N)O TS07283 [1,1,0,0,0,0|1,0,0]=3 1838 B8R1.3 c1cc(ncc1N)O TS71362 [1,1,0,0,0,0|1,0,0]=3 1839 B8R1.3 c1cc(ncc1O)Br TS08346 [1,1,0,0,0,0|1,0,0]=3 1840 B8R1.3 c1cc(ncc1O)Cl TS55249 [1,1,0,0,0,0|1,0,0]=3 1841 B8R1.3 c1cc(ncc1O)F TS01000 [1,1,0,0,0,0|1,0,0]=3 1842 B8R1.3 c1cc(ncc1O)I TS23214 [1,1,0,0,0,0|1,0,0]=3 1843 B8R1.3 c1cc(ncc1O)N TS00790 [1,1,0,0,0,0|1,0,0]=3 1844 B8R1.3 c1cc(ncc1O)O TS47263 [1,1,0,0,0,0|1,0,0]=3 1845 B8R1.3 c1cc(nnc1Br)Br TS02604 [1,1,0,0,0,0|2,0,0]=4 1846 B8R1.3 c1cc(nnc1Cl)Cl TS02605 [1,1,0,0,0,0|2,0,0]=4 1847 B8R1.3 c1cc(nnc1Cl)I TS86647 [1,1,0,0,0,0|2,0,0]=4 1848 B8R1.3 c1cc(nnc1I)I TS63749 [1,1,0,0,0,0|2,0,0]=4 1849 B8R1.3 c1cc(nnc1N)Br TS65863 [1,1,0,0,0,0|2,0,0]=4 1850 B8R1.3 c1cc(nnc1N)Cl TS33360 [1,1,0,0,0,0|2,0,0]=4 1851 B8R1.3 c1cc(nnc1N)Cl TS65868 [1,1,0,0,0,0|2,0,0]=4 1852 B8R1.3 c1cc(nnc1N)I TS90422 [1,1,0,0,0,0|2,0,0]=4 1853 B8R1.3 c1cc(nnc1N)N TS07284 [1,1,0,0,0,0|2,0,0]=4 1854 B8R1.3 c1cc(nnc1O)Cl TS36566 [1,1,0,0,0,0|2,0,0]=4 1855 B8R1.3 c1cc(nnc1O)O TS93162 [1,1,0,0,0,0|2,0,0]=4 1856 B8R1.3 c1cn(=O)ccc1Cl TS05502 [1,1,0,0,0,0|1,0,1]=4 1857 B8R1.5 C[n+]1ccccc1Cl TS08381 [1,1,0,0,0,0|1,0,1]=4 1858 B8R1.5 C[n+]1ccccc1Cl TS20654 [1,1,0,0,0,0|1,0,1]=4 1859 B8R1.5 Cc1c(cccn1)Br TS65908 [1,1,0,0,0,0|0,0,0]=2 1860 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,1,0,0,0,0|0,0,0]=2 1861 B8R1.5 Cc1c(cccn1)F TS70573 [1,1,0,0,0,0|0,0,0]=2 1862 B8R1.5 Cc1c(cccn1)I TS02809 [1,1,0,0,0,0|0,0,0]=2 1863 B8R1.5 Cc1c(cccn1)N TS31778 [1,1,0,0,0,0|0,0,0]=2 1864 B8R1.5 Cc1c(cccn1)O TS87617 [1,1,0,0,0,0|0,0,0]=2 1865 B8R1.5 Cc1c(cncn1)Br TS17002 [1,1,0,0,0,0|1,0,0]=3 1866 B8R1.5 Cc1c(cncn1)N TS03237 [1,1,0,0,0,0|1,0,0]=3 1867 B8R1.5 Cc1c(nccn1)Br TS08309 [1,1,0,0,0,0|1,0,0]=3 1868 B8R1.5 Cc1c(nccn1)C TS47169 [1,1,0,0,0,0|1,0,0]=3 1869 B8R1.5 Cc1c(nccn1)Cl TS55202 [1,1,0,0,0,0|1,0,0]=3 1870 B8R1.5 Cc1c(nccn1)I TS89593 [1,1,0,0,0,0|1,0,0]=3 1871 B8R1.5 Cc1c(nccn1)N TS00719 [1,1,0,0,0,0|1,0,0]=3 1872 B8R1.5 Cc1c(nccn1)O TS55386 [1,1,0,0,0,0|1,0,0]=3 1873 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,1,0,0,0,0|1,0,1]=4 1874 B8R1.5 Cc1cccc[n+]1C TS25681 [1,1,0,0,0,0|0,0,1]=3 1875 B8R1.5 Cc1ccccc1Br TS00024 [1,1,0,0,0,0|1,0,0]=3 1876 B8R1.5 Cc1ccccc1C TS04099 [1,1,0,0,0,0|1,0,0]=3 1877 B8R1.5 Cc1ccccc1Cl TS36192 [1,1,0,0,0,0|1,0,0]=3 1878 B8R1.5 Cc1ccccc1F TS31828 [1,1,0,0,0,0|1,0,0]=3 1879 B8R1.5 Cc1ccccc1I TS49343 [1,1,0,0,0,0|1,0,0]=3 1880 B8R1.5 Cc1ccccc1N TS40130 [1,1,0,0,0,0|1,0,0]=3 1881 B8R1.5 Cc1ccccc1N TS46845 [1,1,0,0,0,0|1,0,0]=3 1882 B8R1.5 Cc1ccccc1O TS31768 [1,1,0,0,0,0|1,0,0]=3 1883 B8R1.5 Cc1ccccc1S TS05037 [1,1,0,0,0,0|1,0,0]=3 1884 B8R1.5 Cc1ccccn1=O TS00106 [1,1,0,0,0,0|0,0,1]=3 1885 B8R1.5 Cc1cccnc1Br TS08310 [1,1,0,0,0,0|1,0,0]=3 1886 B8R1.5 Cc1cccnc1C TS07903 [1,1,0,0,0,0|0,0,0]=2 1887 B8R1.5 Cc1cccnc1Cl TS55203 [1,1,0,0,0,0|1,0,0]=3 1888 B8R1.5 Cc1cccnc1F TS08402 [1,1,0,0,0,0|1,0,0]=3 1889 B8R1.5 Cc1cccnc1I TS01069 [1,1,0,0,0,0|1,0,0]=3 1890 B8R1.5 Cc1cccnc1N TS00720 [1,1,0,0,0,0|1,0,0]=3 1891 B8R1.5 Cc1cccnc1N TS01794 [1,1,0,0,0,0|1,0,0]=3 1892 B8R1.5 Cc1cccnc1O TS31800 [1,1,0,0,0,0|1,0,0]=3 1893 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,1,0,0,0,0|1,0,0]=3 1894 B8R1.5 Cc1ccn[nH]c1=O TS70611 [1,1,0,0,0,0|1,0,0]=3 1895 B8R1.5 Cc1ccncc1Br TS09458 [1,1,0,0,0,0|0,0,0]=2 1896 B8R1.5 Cc1ccncc1C TS00124 [1,1,0,0,0,0|0,0,0]=2 1897 B8R1.5 Cc1ccncc1Cl TS65986 [1,1,0,0,0,0|0,0,0]=2 1898 B8R1.5 Cc1ccncc1F TS70582 [1,1,0,0,0,0|0,0,0]=2 1899 B8R1.5 Cc1ccncc1N TS02641 [1,1,0,0,0,0|0,0,0]=2 1900 B8R1.5 Cc1ccncc1O TS03183 [1,1,0,0,0,0|0,0,0]=2 1901 B8R1.5 Cc1ccnnc1Cl TS02026 [1,1,0,0,0,0|1,0,0]=3 1902 B8R1.5 Cc1cnccc1Br TS39326 [1,1,0,0,0,0|1,0,0]=3 1903 B8R1.5 Cc1cnccc1Br TS88793 [1,1,0,0,0,0|1,0,0]=3 1904 B8R1.5 Cc1cnccc1F TS71122 [1,1,0,0,0,0|1,0,0]=3 1905 B8R1.5 Cc1cnccc1N TS70892 [1,1,0,0,0,0|1,0,0]=3 1906 B8R1.5 Cc1cnccc1O TS70666 [1,1,0,0,0,0|1,0,0]=3 1907 B8R1.5 Cc1cncnc1Cl TS71045 [1,1,0,0,0,0|2,0,0]=4 1908 B8R1.5 Cc1cncnc1O TS59515 [1,1,0,0,0,0|2,0,0]=4 1909 B8R1.5 Cn1ccccc1=O TS31799 [1,1,0,0,0,0|1,0,1]=4 1910 B8R1.5 Cn1ccccc1=S TS05102 [1,1,0,0,0,0|1,0,1]=4 1911 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [1,1,0,0,0,0|2,0,0]=4 1912 B8R1.5 c1c(c(ncn1)Br)F TS13948 [1,1,0,0,0,0|2,0,0]=4 1913 B8R1.5 c1c(c(ncn1)Cl)Br TS86680 [1,1,0,0,0,0|2,0,0]=4 1914 B8R1.5 c1c(c(ncn1)Cl)Cl TS02902 [1,1,0,0,0,0|2,0,0]=4 1915 B8R1.5 c1c(c(ncn1)Cl)I TS71042 [1,1,0,0,0,0|2,0,0]=4 1916 B8R1.5 c1c(c(ncn1)Cl)N TS03235 [1,1,0,0,0,0|2,0,0]=4 1917 B8R1.5 c1c(c(ncn1)I)Br TS85773 [1,1,0,0,0,0|2,0,0]=4 1918 B8R1.5 c1c(c(ncn1)N)Br TS02982 [1,1,0,0,0,0|2,0,0]=4 1919 B8R1.5 c1c(c(ncn1)N)N TS02893 [1,1,0,0,0,0|2,0,0]=4 1920 B8R1.5 c1c(c(ncn1)O)Br TS91053 [1,1,0,0,0,0|2,0,0]=4 1921 B8R1.5 c1c(c(ncn1)O)Cl TS86679 [1,1,0,0,0,0|2,0,0]=4 1922 B8R1.5 c1c(c(ncn1)O)F TS03316 [1,1,0,0,0,0|2,0,0]=4 1923 B8R1.5 c1c(c(ncn1)O)I TS91520 [1,1,0,0,0,0|2,0,0]=4 1924 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [1,1,0,0,0,0|1,0,1]=4 1925 B8R1.5 c1cc(c(=O)oc1)O TS00155 [1,1,0,0,0,0|2,0,0]=4 1926 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [1,1,0,0,0,0|1,0,1]=4 1927 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,1,0,0,0,0|1,0,0]=3 1928 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,1,0,0,0,0|1,0,0]=3 1929 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,1,0,0,0,0|1,0,0]=3 1930 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,1,0,0,0,0|1,0,0]=3 1931 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,1,0,0,0,0|1,0,0]=3 1932 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,1,0,0,0,0|1,0,0]=3 1933 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,1,0,0,0,0|1,0,0]=3 1934 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,1,0,0,0,0|1,0,0]=3 1935 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,1,0,0,0,0|1,0,0]=3 1936 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,1,0,0,0,0|1,0,0]=3 1937 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,1,0,0,0,0|1,0,0]=3 1938 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,1,0,0,0,0|1,0,0]=3 1939 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,1,0,0,0,0|1,0,0]=3 1940 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,1,0,0,0,0|1,0,0]=3 1941 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,1,0,0,0,0|1,0,0]=3 1942 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,1,0,0,0,0|1,0,0]=3 1943 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,1,0,0,0,0|1,0,0]=3 1944 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,1,0,0,0,0|1,0,0]=3 1945 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,1,0,0,0,0|1,0,0]=3 1946 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,1,0,0,0,0|1,0,0]=3 1947 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,1,0,0,0,0|1,0,0]=3 1948 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,1,0,0,0,0|1,0,0]=3 1949 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,1,0,0,0,0|1,0,0]=3 1950 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,1,0,0,0,0|1,0,0]=3 1951 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,1,0,0,0,0|1,0,0]=3 1952 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,1,0,0,0,0|1,0,0]=3 1953 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,1,0,0,0,0|1,0,0]=3 1954 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,1,0,0,0,0|1,0,0]=3 1955 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,1,0,0,0,0|1,0,0]=3 1956 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,1,0,0,0,0|1,0,0]=3 1957 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,1,0,0,0,0|1,0,0]=3 1958 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,1,0,0,0,0|1,0,0]=3 1959 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,1,0,0,0,0|1,0,0]=3 1960 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,1,0,0,0,0|1,0,0]=3 1961 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,1,0,0,0,0|1,0,0]=3 1962 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,1,0,0,0,0|1,0,0]=3 1963 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,1,0,0,0,0|1,0,0]=3 1964 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,1,0,0,0,0|1,0,0]=3 1965 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [1,1,0,0,0,0|1,0,1]=4 1966 B8R1.5 c1cc[n+](c(c1)S)[O-] TS93094 [1,1,0,0,0,0|1,0,1]=4 1967 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [1,1,0,0,0,0|2,0,0]=4 1968 B8R1.5 c1ccc(c(c1)Br)I TS65287 [1,1,0,0,0,0|2,0,0]=4 1969 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [1,1,0,0,0,0|2,0,0]=4 1970 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [1,1,0,0,0,0|2,0,0]=4 1971 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [1,1,0,0,0,0|2,0,0]=4 1972 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [1,1,0,0,0,0|2,0,0]=4 1973 B8R1.5 c1ccc(c(c1)F)Br TS46916 [1,1,0,0,0,0|2,0,0]=4 1974 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [1,1,0,0,0,0|2,0,0]=4 1975 B8R1.5 c1ccc(c(c1)F)F TS07875 [1,1,0,0,0,0|2,0,0]=4 1976 B8R1.5 c1ccc(c(c1)F)I TS65430 [1,1,0,0,0,0|2,0,0]=4 1977 B8R1.5 c1ccc(c(c1)F)S TS46406 [1,1,0,0,0,0|2,0,0]=4 1978 B8R1.5 c1ccc(c(c1)I)I TS65275 [1,1,0,0,0,0|2,0,0]=4 1979 B8R1.5 c1ccc(c(c1)N)Br TS20655 [1,1,0,0,0,0|2,0,0]=4 1980 B8R1.5 c1ccc(c(c1)N)Br TS55149 [1,1,0,0,0,0|2,0,0]=4 1981 B8R1.5 c1ccc(c(c1)N)F TS39663 [1,1,0,0,0,0|2,0,0]=4 1982 B8R1.5 c1ccc(c(c1)N)I TS01078 [1,1,0,0,0,0|2,0,0]=4 1983 B8R1.5 c1ccc(c(c1)N)N TS31770 [1,1,0,0,0,0|2,0,0]=4 1984 B8R1.5 c1ccc(c(c1)N)N TS38979 [1,1,0,0,0,0|2,0,0]=4 1985 B8R1.5 c1ccc(c(c1)N)N TS48029 [1,1,0,0,0,0|2,0,0]=4 1986 B8R1.5 c1ccc(c(c1)N)O TS00817 [1,1,0,0,0,0|2,0,0]=4 1987 B8R1.5 c1ccc(c(c1)N)O TS07143 [1,1,0,0,0,0|2,0,0]=4 1988 B8R1.5 c1ccc(c(c1)N)O TS76832 [1,1,0,0,0,0|2,0,0]=4 1989 B8R1.5 c1ccc(c(c1)N)S TS47467 [1,1,0,0,0,0|2,0,0]=4 1990 B8R1.5 c1ccc(c(c1)O)Br TS00855 [1,1,0,0,0,0|2,0,0]=4 1991 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [1,1,0,0,0,0|2,0,0]=4 1992 B8R1.5 c1ccc(c(c1)O)F TS04282 [1,1,0,0,0,0|2,0,0]=4 1993 B8R1.5 c1ccc(c(c1)O)I TS49691 [1,1,0,0,0,0|2,0,0]=4 1994 B8R1.5 c1ccc(c(c1)O)O TS01670 [1,1,0,0,0,0|2,0,0]=4 1995 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,1,0,0,0,0|2,0,0]=4 1996 B8R1.5 c1ccc(c(c1)P)P TS06642 [1,1,0,0,0,0|2,0,0]=4 1997 B8R1.5 c1ccc(c(c1)S)Br TS50856 [1,1,0,0,0,0|2,0,0]=4 1998 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [1,1,0,0,0,0|2,0,0]=4 1999 B8R1.5 c1ccc(c(c1)S)S TS06772 [1,1,0,0,0,0|2,0,0]=4 2000 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [1,1,0,0,0,0|1,0,1]=4 2001 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [1,1,0,0,0,0|1,0,1]=4 2002 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [1,1,0,0,0,0|1,0,1]=4 2003 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [1,1,0,0,0,0|1,0,1]=4 2004 B8R1.5 c1ccn(=O)c(c1)N TS04192 [1,1,0,0,0,0|1,0,1]=4 2005 B8R1.5 c1ccn(=O)c(c1)O TS04239 [1,1,0,0,0,0|1,0,1]=4 2006 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [1,1,0,0,0,0|1,0,1]=4 2007 B8R1.5 c1cn[nH]c(=O)c1Cl TS90743 [1,1,0,0,0,0|2,0,0]=4 2008 B8R1.5 c1cnc(c(n1)Cl)Cl TS47153 [1,1,0,0,0,0|2,0,0]=4 2009 B8R1.5 c1cnc(c(n1)N)Br TS08285 [1,1,0,0,0,0|2,0,0]=4 2010 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [1,1,0,0,0,0|2,0,0]=4 2011 B8R1.5 c1cnc(c(n1)N)N TS00549 [1,1,0,0,0,0|2,0,0]=4 2012 B8R1.5 c1cnc(c(n1)O)O TS04272 [1,1,0,0,0,0|2,0,0]=4 2013 B8R1.5 c1cncc(c1Br)Br TS02534 [1,1,0,0,0,0|1,0,0]=3 2014 B8R1.5 c1cncc(c1Br)Cl TS09572 [1,1,0,0,0,0|1,0,0]=3 2015 B8R1.5 c1cncc(c1Br)F TS88832 [1,1,0,0,0,0|1,0,0]=3 2016 B8R1.5 c1cncc(c1Br)I TS54679 [1,1,0,0,0,0|1,0,0]=3 2017 B8R1.5 c1cncc(c1Br)N TS65852 [1,1,0,0,0,0|1,0,0]=3 2018 B8R1.5 c1cncc(c1Br)O TS09582 [1,1,0,0,0,0|1,0,0]=3 2019 B8R1.5 c1cncc(c1Cl)Br TS52758 [1,1,0,0,0,0|1,0,0]=3 2020 B8R1.5 c1cncc(c1Cl)Br TS65918 [1,1,0,0,0,0|1,0,0]=3 2021 B8R1.5 c1cncc(c1Cl)Cl TS15363 [1,1,0,0,0,0|1,0,0]=3 2022 B8R1.5 c1cncc(c1Cl)Cl TS65745 [1,1,0,0,0,0|1,0,0]=3 2023 B8R1.5 c1cncc(c1Cl)I TS57279 [1,1,0,0,0,0|1,0,0]=3 2024 B8R1.5 c1cncc(c1Cl)N TS65854 [1,1,0,0,0,0|1,0,0]=3 2025 B8R1.5 c1cncc(c1Cl)O TS09640 [1,1,0,0,0,0|1,0,0]=3 2026 B8R1.5 c1cncc(c1F)Br TS09450 [1,1,0,0,0,0|1,0,0]=3 2027 B8R1.5 c1cncc(c1F)Cl TS36634 [1,1,0,0,0,0|1,0,0]=3 2028 B8R1.5 c1cncc(c1F)F TS32143 [1,1,0,0,0,0|1,0,0]=3 2029 B8R1.5 c1cncc(c1I)Cl TS02697 [1,1,0,0,0,0|1,0,0]=3 2030 B8R1.5 c1cncc(c1I)Cl TS85392 [1,1,0,0,0,0|1,0,0]=3 2031 B8R1.5 c1cncc(c1I)F TS50244 [1,1,0,0,0,0|1,0,0]=3 2032 B8R1.5 c1cncc(c1I)N TS09721 [1,1,0,0,0,0|1,0,0]=3 2033 B8R1.5 c1cncc(c1I)N TS88838 [1,1,0,0,0,0|1,0,0]=3 2034 B8R1.5 c1cncc(c1N)F TS70882 [1,1,0,0,0,0|1,0,0]=3 2035 B8R1.5 c1cncc(c1N)F TS85432 [1,1,0,0,0,0|1,0,0]=3 2036 B8R1.5 c1cncc(c1N)I TS70887 [1,1,0,0,0,0|1,0,0]=3 2037 B8R1.5 c1cncc(c1N)N TS02530 [1,1,0,0,0,0|1,0,0]=3 2038 B8R1.5 c1cncc(c1O)Br TS09465 [1,1,0,0,0,0|1,0,0]=3 2039 B8R1.5 c1cncc(c1O)Cl TS02695 [1,1,0,0,0,0|1,0,0]=3 2040 B8R1.5 c1cncc(c1O)F TS02748 [1,1,0,0,0,0|1,0,0]=3 2041 B8R1.5 c1cncc(c1O)N TS65860 [1,1,0,0,0,0|1,0,0]=3 2042 B8R1.5 c1cncc(c1O)O TS59374 [1,1,0,0,0,0|1,0,0]=3 2043 B8R1.5 c1cnnc(c1Cl)Cl TS90584 [1,1,0,0,0,0|2,0,0]=4 2044 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,1,0,0,1,0|0,0,1]=3 2045 B8R1.1 CC[n+]1ccn(c1)C TS13318 [0,1,0,0,1,0|2,0,0]=4 2046 B8R1.1 CC[n+]1ccn(c1)C TS26127 [0,1,0,0,1,0|2,0,0]=4 2047 B8R1.1 CC[n+]1ccn(c1)C TS50146 [0,1,0,0,1,0|2,0,0]=4 2048 B8R1.1 CC[n+]1ccn(c1)C TS53944 [0,1,0,0,1,0|2,0,0]=4 2049 B8R1.1 CC[n+]1ccn(c1)C TS68355 [0,1,0,0,1,0|2,0,0]=4 2050 B8R1.1 CC[n+]1ccn(c1)C TS93305 [0,1,0,0,1,0|2,0,0]=4 2051 B8R1.1 CC[n+]1ccn(c1)C TS93371 [0,1,0,0,1,0|2,0,0]=4 2052 B8R1.1 CC[n+]1ccn(c1)C TS93984 [0,1,0,0,1,0|2,0,0]=4 2053 B8R1.1 CC[n+]1ccn(c1)C TS93985 [0,1,0,0,1,0|2,0,0]=4 2054 B8R1.1 CCc1[nH]cc(n1)C TS04212 [0,1,0,0,1,0|1,0,1]=4 2055 B8R1.1 CCc1[nH]cc(n1)C TS45131 [0,1,0,0,1,0|1,0,1]=4 2056 B8R1.1 CCc1cc([nH]n1)N TS03228 [0,1,0,0,1,0|2,0,0]=4 2057 B8R1.1 CCc1ccc(s1)C TS36173 [0,1,0,0,1,0|1,0,0]=3 2058 B8R1.1 CCc1cnc(s1)N TS36320 [0,1,0,0,1,0|2,0,0]=4 2059 B8R1.1 CCc1nc(cs1)C TS36248 [0,1,0,0,1,0|2,0,0]=4 2060 B8R1.1 CCn1cc(cn1)Br TS13620 [0,1,0,0,1,0|2,0,0]=4 2061 B8R1.1 CCn1cc(cn1)N TS31878 [0,1,0,0,1,0|2,0,0]=4 2062 B8R1.1 COc1cc(n[nH]1)N TS86441 [0,1,0,0,1,0|2,0,0]=4 2063 B8R1.1 COc1cc(n[nH]1)N TS91266 [0,1,0,0,1,0|2,0,0]=4 2064 B8R1.1 COc1cc(no1)N TS01142 [0,1,0,0,1,0|2,0,0]=4 2065 B8R1.1 COc1ncc(s1)Br TS09792 [0,1,0,0,1,0|2,0,0]=4 2066 B8R1.1 Cc1c[nH]c(n1)CN TS46548 [0,1,0,0,1,0|1,0,1]=4 2067 B8R1.1 Cc1cc(no1)C=O TS08758 [0,1,0,0,1,0|1,0,1]=4 2068 B8R1.1 Cc1cc(no1)CBr TS46034 [0,1,0,0,1,0|1,0,0]=3 2069 B8R1.1 Cc1cc(no1)CCl TS09438 [0,1,0,0,1,0|1,0,0]=3 2070 B8R1.1 Cc1cc(no1)CN TS08056 [0,1,0,0,1,0|1,0,0]=3 2071 B8R1.1 Cc1cc(no1)CO TS70625 [0,1,0,0,1,0|1,0,0]=3 2072 B8R1.1 Cc1cc(oc1)CN TS89029 [0,1,0,0,1,0|1,0,0]=3 2073 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,1,0,0,1,0|1,0,1]=4 2074 B8R1.1 Cc1cc(sc1)CN TS36247 [0,1,0,0,1,0|1,0,0]=3 2075 B8R1.1 Cc1cc(sc1)CO TS05369 [0,1,0,0,1,0|1,0,0]=3 2076 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,1,0,0,1,0|1,0,1]=4 2077 B8R1.1 Cc1ccc(o1)CBr TS13614 [0,1,0,0,1,0|1,0,0]=3 2078 B8R1.1 Cc1ccc(o1)CN TS31873 [0,1,0,0,1,0|1,0,0]=3 2079 B8R1.1 Cc1ccc(o1)CO TS39784 [0,1,0,0,1,0|1,0,0]=3 2080 B8R1.1 Cc1ccc(s1)C#N TS86062 [0,1,0,0,1,0|1,0,1]=4 2081 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,1,0,0,1,0|1,0,1]=4 2082 B8R1.1 Cc1ccc(s1)CN TS36252 [0,1,0,0,1,0|1,0,0]=3 2083 B8R1.1 Cc1nc(cs1)CCl TS15219 [0,1,0,0,1,0|2,0,0]=4 2084 B8R1.1 Cc1nc(cs1)CCl TS46478 [0,1,0,0,1,0|2,0,0]=4 2085 B8R1.1 Cc1nc(cs1)CN TS36319 [0,1,0,0,1,0|2,0,0]=4 2086 B8R1.1 Cc1nc(no1)CN TS04378 [0,1,0,0,1,0|2,0,0]=4 2087 B8R1.1 Cc1ncc(o1)C=O TS02441 [0,1,0,0,1,0|1,0,1]=4 2088 B8R1.1 Cc1ncc(s1)OC TS05467 [0,1,0,0,1,0|1,0,0]=3 2089 B8R1.1 Cc1nnc(o1)CCl TS47085 [0,1,0,0,1,0|2,0,0]=4 2090 B8R1.1 Cc1nnc(o1)CN TS04379 [0,1,0,0,1,0|2,0,0]=4 2091 B8R1.1 Cc1nnc(o1)CN TS40797 [0,1,0,0,1,0|2,0,0]=4 2092 B8R1.1 Cn1cc(cn1)C#N TS89916 [0,1,0,0,1,0|1,0,1]=4 2093 B8R1.1 Cn1cc(cn1)C=O TS00477 [0,1,0,0,1,0|1,0,1]=4 2094 B8R1.1 Cn1cc(cn1)CN TS02999 [0,1,0,0,1,0|1,0,0]=3 2095 B8R1.1 Cn1cc(cn1)CO TS32833 [0,1,0,0,1,0|1,0,0]=3 2096 B8R1.1 Cn1cc(nc1)C#N TS31755 [0,1,0,0,1,0|1,0,1]=4 2097 B8R1.1 Cn1cc(nc1)C=O TS31819 [0,1,0,0,1,0|1,0,1]=4 2098 B8R1.1 Cn1cc(nc1)CN TS64969 [0,1,0,0,1,0|1,0,0]=3 2099 B8R1.1 Cn1cc(nc1)CO TS04287 [0,1,0,0,1,0|1,0,0]=3 2100 B8R1.1 Cn1ccc(n1)CBr TS13618 [0,1,0,0,1,0|2,0,0]=4 2101 B8R1.1 Cn1ccc(n1)CN TS90297 [0,1,0,0,1,0|2,0,0]=4 2102 B8R1.1 Cn1ccc(n1)CO TS88082 [0,1,0,0,1,0|2,0,0]=4 2103 B8R1.1 Cn1cnc(n1)CCl TS05682 [0,1,0,0,1,0|2,0,0]=4 2104 B8R1.1 Cn1cnc(n1)CN TS91994 [0,1,0,0,1,0|2,0,0]=4 2105 B8R1.1 Cn1cnc(n1)CO TS91728 [0,1,0,0,1,0|2,0,0]=4 2106 B8R1.1 c1c([nH]nc1N)CO TS90019 [0,1,0,0,1,0|2,0,0]=4 2107 B8R1.1 c1c(csc1Br)CN TS91257 [0,1,0,0,1,0|2,0,0]=4 2108 B8R1.1 c1c(csc1CN)Br TS89953 [0,1,0,0,1,0|2,0,0]=4 2109 B8R1.1 c1c(csc1CN)Cl TS87176 [0,1,0,0,1,0|2,0,0]=4 2110 B8R1.1 c1c(csc1CO)Br TS59852 [0,1,0,0,1,0|2,0,0]=4 2111 B8R1.1 c1c(csc1CO)Cl TS89056 [0,1,0,0,1,0|2,0,0]=4 2112 B8R1.1 c1c(csc1Cl)CN TS86823 [0,1,0,0,1,0|2,0,0]=4 2113 B8R1.1 c1c(csc1Cl)CO TS86398 [0,1,0,0,1,0|2,0,0]=4 2114 B8R1.1 c1c(onc1Br)CCl TS18341 [0,1,0,0,1,0|2,0,0]=4 2115 B8R1.1 c1c(onc1Br)CO TS85367 [0,1,0,0,1,0|2,0,0]=4 2116 B8R1.1 c1c(sc(n1)Br)CBr TS67944 [0,1,0,0,1,0|2,0,0]=4 2117 B8R1.1 c1c(sc(n1)Br)CO TS55179 [0,1,0,0,1,0|2,0,0]=4 2118 B8R1.1 c1c(sc(n1)CN)Br TS92842 [0,1,0,0,1,0|2,0,0]=4 2119 B8R1.1 c1c(sc(n1)CN)Cl TS92285 [0,1,0,0,1,0|2,0,0]=4 2120 B8R1.1 c1c(sc(n1)CO)Br TS89097 [0,1,0,0,1,0|2,0,0]=4 2121 B8R1.1 c1c(sc(n1)CO)Cl TS92193 [0,1,0,0,1,0|2,0,0]=4 2122 B8R1.1 c1c(sc(n1)Cl)CCl TS00896 [0,1,0,0,1,0|2,0,0]=4 2123 B8R1.1 c1c(sc(n1)Cl)CN TS00907 [0,1,0,0,1,0|2,0,0]=4 2124 B8R1.1 c1cc(sc1CCl)Cl TS12342 [0,1,0,0,1,0|2,0,0]=4 2125 B8R1.1 c1cc(sc1CN)Br TS16792 [0,1,0,0,1,0|2,0,0]=4 2126 B8R1.1 c1cc(sc1CN)Cl TS07393 [0,1,0,0,1,0|2,0,0]=4 2127 B8R1.1 c1cc(sc1CN)F TS91365 [0,1,0,0,1,0|2,0,0]=4 2128 B8R1.1 c1cc(sc1CO)Br TS51585 [0,1,0,0,1,0|2,0,0]=4 2129 B8R1.1 c1cc(sc1CO)Cl TS40709 [0,1,0,0,1,0|2,0,0]=4 2130 B8R1.1 c1cc(sc1CO)F TS90950 [0,1,0,0,1,0|2,0,0]=4 2131 B8R1.18 CC1=CC(=O)OC1=O TS22789 [0,1,0,0,1,0|2,0,0]=4 2132 B8R1.18 CC1C(=O)C=C(O1)C TS31920 [0,1,0,0,1,0|1,0,1]=4 2133 B8R1.18 Cc1[nH]c(c(n1)Br)Br TS26437 [0,1,0,0,1,0|2,0,0]=4 2134 B8R1.18 Cc1[nH]c(c(n1)I)I TS02911 [0,1,0,0,1,0|2,0,0]=4 2135 B8R1.18 Cc1c(cc(s1)Br)Br TS67792 [0,1,0,0,1,0|2,0,0]=4 2136 B8R1.18 Cc1c(cn(n1)C)Br TS88783 [0,1,0,0,1,0|2,0,0]=4 2137 B8R1.18 Cc1c(cn(n1)C)Cl TS36572 [0,1,0,0,1,0|2,0,0]=4 2138 B8R1.18 Cc1c(cn(n1)C)N TS91570 [0,1,0,0,1,0|2,0,0]=4 2139 B8R1.18 Cc1c(nc([nH]1)S)C TS36322 [0,1,0,0,1,0|2,0,0]=4 2140 B8R1.18 Cc1c(oc(n1)C)C TS00589 [0,1,0,0,1,0|1,0,0]=3 2141 B8R1.18 Cc1c(sc(n1)C)Br TS16973 [0,1,0,0,1,0|2,0,0]=4 2142 B8R1.18 Cc1c(sc(n1)C)C TS36251 [0,1,0,0,1,0|1,0,0]=3 2143 B8R1.18 Cc1c(sc(n1)N)C TS11966 [0,1,0,0,1,0|2,0,0]=4 2144 B8R1.18 Cc1c(sc(n1)S)C TS40347 [0,1,0,0,1,0|2,0,0]=4 2145 B8R1.18 Cc1cc(c(o1)C)S TS36314 [0,1,0,0,1,0|1,0,0]=3 2146 B8R1.18 Cc1cc(n(n1)C)Br TS13619 [0,1,0,0,1,0|2,0,0]=4 2147 B8R1.18 Cc1cc(n(n1)C)C TS00358 [0,1,0,0,1,0|1,0,0]=3 2148 B8R1.18 Cc1cc(n(n1)C)Cl TS36569 [0,1,0,0,1,0|2,0,0]=4 2149 B8R1.18 Cc1cc(n(n1)C)N TS07392 [0,1,0,0,1,0|2,0,0]=4 2150 B8R1.18 Cc1cc(n(n1)C)N TS31880 [0,1,0,0,1,0|2,0,0]=4 2151 B8R1.18 Cc1cc(nn1C)Br TS13617 [0,1,0,0,1,0|2,0,0]=4 2152 B8R1.18 Cc1cc(nn1C)N TS31883 [0,1,0,0,1,0|2,0,0]=4 2153 B8R1.18 Cc1cc(sc1Br)Br TS67791 [0,1,0,0,1,0|2,0,0]=4 2154 B8R1.18 Cc1cc(sc1C)C TS36170 [0,1,0,0,1,0|1,0,0]=3 2155 B8R1.18 Cc1cc(sc1Cl)Cl TS12343 [0,1,0,0,1,0|2,0,0]=4 2156 B8R1.18 Cn1cc(c(n1)N)Br TS46036 [0,1,0,0,1,0|2,0,0]=4 2157 B8R1.50 Cc1c(c([nH]n1)Cl)N TS90141 [0,1,0,0,1,0|2,0,0]=4 2158 B8R1.50 Cc1c(c([nH]n1)N)Cl TS43300 [0,1,0,0,1,0|2,0,0]=4 2159 B8R1.50 Cc1c(c(n[nH]1)C)Br TS09569 [0,1,0,0,1,0|1,0,0]=3 2160 B8R1.50 Cc1c(c(n[nH]1)C)Cl TS36571 [0,1,0,0,1,0|1,0,0]=3 2161 B8R1.50 Cc1c(c(n[nH]1)C)I TS02203 [0,1,0,0,1,0|1,0,0]=3 2162 B8R1.50 Cc1c(c(n[nH]1)C)N TS31882 [0,1,0,0,1,0|1,0,0]=3 2163 B8R1.50 Cc1c(c(on1)C)Br TS39325 [0,1,0,0,1,0|1,0,0]=3 2164 B8R1.50 Cc1c(c(on1)C)I TS65803 [0,1,0,0,1,0|1,0,0]=3 2165 B8R1.50 Cc1c(c(on1)C)N TS04295 [0,1,0,0,1,0|1,0,0]=3 2166 B8R1.50 Cc1c(c(on1)N)Cl TS36730 [0,1,0,0,1,0|2,0,0]=4 2167 B8R1.50 Cc1c(c(sn1)N)Br TS51587 [0,1,0,0,1,0|2,0,0]=4 2168 B8R1.50 Cc1c(n(cn1)C)C TS04206 [0,1,0,0,1,0|1,0,0]=3 2169 B8R1.50 Cc1c(noc1N)C TS04297 [0,1,0,0,1,0|2,0,0]=4 2170 B8R1.50 Cc1c(onc1Br)C TS46035 [0,1,0,0,1,0|2,0,0]=4 2171 B8R1.50 Cc1c(onc1N)C TS65850 [0,1,0,0,1,0|2,0,0]=4 2172 B8R1.50 Cc1ccc(n1C)C TS31807 [0,1,0,0,1,0|1,0,0]=3 2173 B8R1.50 Cc1csc([n+]1C)C TS28734 [0,1,0,0,1,0|2,0,0]=4 2174 B8R1.50 Cc1csc(c1Br)Br TS07689 [0,1,0,0,1,0|2,0,0]=4 2175 B8R1.50 Cc1n(cc[n+]1C)C TS26128 [0,1,0,0,1,0|2,0,0]=4 2176 B8R1.50 Cc1n(cc[n+]1C)C TS50144 [0,1,0,0,1,0|2,0,0]=4 2177 B8R1.50 Cc1nnc(n1C)C TS31881 [0,1,0,0,1,0|2,0,0]=4 2178 B8R1.50 Cc1nnc(n1N)C TS04303 [0,1,0,0,1,0|2,0,0]=4 2179 B8R1.50 Cn1c(c(cn1)Br)N TS08878 [0,1,0,0,1,0|2,0,0]=4 2180 B8R1.50 Cn1ccn(c1=S)C TS36321 [0,1,0,0,1,0|2,0,0]=4 2181 B8R1.50 Cn1cnc(c1Br)Br TS26439 [0,1,0,0,1,0|2,0,0]=4 2182 B8R1.50 Cn1cnc(c1Cl)Cl TS40962 [0,1,0,0,1,0|2,0,0]=4 2183 B8R1.50 Cn1cnc(c1I)I TS63865 [0,1,0,0,1,0|2,0,0]=4 2184 B8R1.11 CCc1c[nH]nc1N TS65857 [0,1,0,0,1,0|2,0,0]=4 2185 B8R1.11 CCn1c(ccn1)N TS86902 [0,1,0,0,1,0|2,0,0]=4 2186 B8R1.11 Cc1c([nH]cn1)CCl TS12338 [0,1,0,0,1,0|1,0,0]=3 2187 B8R1.11 Cc1c([nH]cn1)CO TS04296 [0,1,0,0,1,0|1,0,0]=3 2188 B8R1.11 Cc1c(c[nH]n1)C=O TS70654 [0,1,0,0,1,0|1,0,1]=4 2189 B8R1.11 Cc1c(c[nH]n1)C=O TS91068 [0,1,0,0,1,0|1,0,1]=4 2190 B8R1.11 Cc1c(cco1)SC TS36315 [0,1,0,0,1,0|1,0,0]=3 2191 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [0,1,0,0,1,0|1,0,1]=4 2192 B8R1.11 Cc1c(nc[nH]1)CO TS04291 [0,1,0,0,1,0|1,0,0]=3 2193 B8R1.11 Cc1c(ocn1)C#N TS31760 [0,1,0,0,1,0|1,0,1]=4 2194 B8R1.11 Cc1c(ocn1)CO TS03174 [0,1,0,0,1,0|1,0,0]=3 2195 B8R1.11 Cc1c(scn1)C=C TS05104 [0,1,0,0,1,0|1,0,1]=4 2196 B8R1.11 Cc1c(scn1)C=O TS08697 [0,1,0,0,1,0|1,0,1]=4 2197 B8R1.11 Cc1c(snn1)CO TS59854 [0,1,0,0,1,0|2,0,0]=4 2198 B8R1.11 Cc1cc[nH]c1C=O TS31796 [0,1,0,0,1,0|0,0,2]=4 2199 B8R1.11 Cc1ccsc1C#N TS70684 [0,1,0,0,1,0|1,0,1]=4 2200 B8R1.11 Cc1ccsc1C=O TS70683 [0,1,0,0,1,0|1,0,1]=4 2201 B8R1.11 Cc1ccsc1[Mg]Br TS19268 [0,1,0,0,1,0|2,0,0]=4 2202 B8R1.11 Cn1c(ccn1)C#N TS89271 [0,1,0,0,1,0|1,0,1]=4 2203 B8R1.11 Cn1c(ccn1)C=O TS16650 [0,1,0,0,1,0|1,0,1]=4 2204 B8R1.11 Cn1c(ccn1)CN TS89183 [0,1,0,0,1,0|1,0,0]=3 2205 B8R1.11 Cn1c(ccn1)CO TS86654 [0,1,0,0,1,0|1,0,0]=3 2206 B8R1.11 Cn1c(ncn1)CCl TS94359 [0,1,0,0,1,0|2,0,0]=4 2207 B8R1.11 Cn1c(ncn1)CN TS04299 [0,1,0,0,1,0|2,0,0]=4 2208 B8R1.11 Cn1c(ncn1)CO TS07996 [0,1,0,0,1,0|2,0,0]=4 2209 B8R1.11 Cn1cccc1CN TS04204 [0,1,0,0,1,0|2,0,0]=4 2210 B8R1.11 Cn1ccnc1C#N TS31752 [0,1,0,0,1,0|1,0,1]=4 2211 B8R1.11 Cn1ccnc1C=O TS00052 [0,1,0,0,1,0|1,0,1]=4 2212 B8R1.11 Cn1ccnc1CCl TS12339 [0,1,0,0,1,0|1,0,0]=3 2213 B8R1.11 Cn1ccnc1CCl TS36570 [0,1,0,0,1,0|1,0,0]=3 2214 B8R1.11 Cn1ccnc1CN TS32741 [0,1,0,0,1,0|1,0,0]=3 2215 B8R1.11 Cn1ccnc1CO TS00467 [0,1,0,0,1,0|1,0,0]=3 2216 B8R1.11 Cn1cnnc1CN TS94529 [0,1,0,0,1,0|2,0,0]=4 2217 B8R1.11 c1[nH]c(c(n1)N)CN TS04304 [0,1,0,0,1,0|2,0,0]=4 2218 B8R1.11 c1csc(c1Br)CN TS51400 [0,1,0,0,1,0|2,0,0]=4 2219 B8R1.11 c1csc(c1Br)CO TS51586 [0,1,0,0,1,0|2,0,0]=4 2220 B8R1.11 c1csc(c1CBr)Br TS86576 [0,1,0,0,1,0|2,0,0]=4 2221 B8R1.11 c1csc(c1CBr)Cl TS21190 [0,1,0,0,1,0|2,0,0]=4 2222 B8R1.11 c1csc(c1CCl)Cl TS08393 [0,1,0,0,1,0|2,0,0]=4 2223 B8R1.11 c1csc(c1CN)Br TS51399 [0,1,0,0,1,0|2,0,0]=4 2224 B8R1.11 c1csc(c1Cl)CN TS85965 [0,1,0,0,1,0|2,0,0]=4 2225 B8R1.11 c1csc(c1Cl)CO TS88849 [0,1,0,0,1,0|2,0,0]=4 2226 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [0,2,0,0,0,0|2,0,0]=4 2227 B10R1.2 CCc1c(c(ncn1)Cl)Cl TS60037 [0,2,0,0,0,0|2,0,0]=4 2228 B10R1.2 CCc1c(c(ncn1)Cl)F TS09658 [0,2,0,0,0,0|2,0,0]=4 2229 B10R1.2 CCc1c(c(ncn1)O)Cl TS32988 [0,2,0,0,0,0|2,0,0]=4 2230 B10R1.2 CCc1c(c(ncn1)O)F TS71103 [0,2,0,0,0,0|2,0,0]=4 2231 B10R1.2 CCc1cccc(c1C)C TS36862 [0,2,0,0,0,0|1,0,0]=3 2232 B10R1.2 CCc1cccc(c1O)C TS06085 [0,2,0,0,0,0|1,0,0]=3 2233 B10R1.2 COc1c(c(ccn1)N)Br TS91261 [0,2,0,0,0,0|1,0,0]=3 2234 B10R1.2 COc1cccc(c1Br)F TS08297 [0,2,0,0,0,0|2,0,0]=4 2235 B10R1.2 COc1cccc(c1Br)N TS39650 [0,2,0,0,0,0|2,0,0]=4 2236 B10R1.2 COc1cccc(c1Br)O TS38374 [0,2,0,0,0,0|2,0,0]=4 2237 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [0,2,0,0,0,0|2,0,0]=4 2238 B10R1.2 COc1cccc(c1Cl)N TS55195 [0,2,0,0,0,0|2,0,0]=4 2239 B10R1.2 COc1cccc(c1F)Br TS65479 [0,2,0,0,0,0|2,0,0]=4 2240 B10R1.2 COc1cccc(c1F)Cl TS42232 [0,2,0,0,0,0|2,0,0]=4 2241 B10R1.2 COc1cccc(c1F)F TS02338 [0,2,0,0,0,0|2,0,0]=4 2242 B10R1.2 COc1cccc(c1F)O TS37550 [0,2,0,0,0,0|2,0,0]=4 2243 B10R1.2 COc1cccc(c1I)F TS09365 [0,2,0,0,0,0|2,0,0]=4 2244 B10R1.2 COc1cccc(c1N)F TS55365 [0,2,0,0,0,0|2,0,0]=4 2245 B10R1.2 COc1cccc(c1O)Br TS87716 [0,2,0,0,0,0|2,0,0]=4 2246 B10R1.2 COc1cccc(c1O)F TS65426 [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.2 COc1cccc(c1O)O TS60018 [0,2,0,0,0,0|2,0,0]=4 2248 B10R1.2 COc1ccnc(c1I)N TS62788 [0,2,0,0,0,0|1,0,0]=3 2249 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [0,2,0,0,0,0|0,0,1]=3 2250 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [0,2,0,0,0,0|2,0,0]=4 2251 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [0,2,0,0,0,0|2,0,0]=4 2252 B10R1.2 Cc1c(cccc1F)CO TS09370 [0,2,0,0,0,0|2,0,0]=4 2253 B10R1.2 Cc1c(cccc1N)CO TS37119 [0,2,0,0,0,0|2,0,0]=4 2254 B10R1.2 Cc1c(cccc1OC)N TS70644 [0,2,0,0,0,0|2,0,0]=4 2255 B10R1.2 Cc1cccc(c1C)C#N TS05675 [0,2,0,0,0,0|1,0,1]=4 2256 B10R1.2 Cc1cccc(c1C)C=O TS59680 [0,2,0,0,0,0|1,0,1]=4 2257 B10R1.2 Cc1cccc(c1C)CBr TS46745 [0,2,0,0,0,0|1,0,0]=3 2258 B10R1.2 Cc1cccc(c1C)CCl TS41469 [0,2,0,0,0,0|1,0,0]=3 2259 B10R1.2 Cc1cccc(c1C)CN TS36950 [0,2,0,0,0,0|1,0,0]=3 2260 B10R1.2 Cc1cccc(c1C)CO TS37020 [0,2,0,0,0,0|1,0,0]=3 2261 B10R1.2 Cc1cccc(c1C)NN TS13271 [0,2,0,0,0,0|2,0,0]=4 2262 B10R1.2 Cc1cccc(c1C)NN TS51214 [0,2,0,0,0,0|2,0,0]=4 2263 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,2,0,0,0,0|1,0,0]=3 2264 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [0,2,0,0,0,0|1,0,1]=4 2265 B10R1.2 Cc1cccc(c1F)C#N TS02161 [0,2,0,0,0,0|1,0,1]=4 2266 B10R1.2 Cc1cccc(c1F)C=O TS37170 [0,2,0,0,0,0|1,0,1]=4 2267 B10R1.2 Cc1cccc(c1F)CBr TS09289 [0,2,0,0,0,0|1,0,0]=3 2268 B10R1.2 Cc1cccc(c1N)OC TS01100 [0,2,0,0,0,0|1,0,0]=3 2269 B10R1.2 Cc1cccc(c1O)C=O TS36989 [0,2,0,0,0,0|1,0,1]=4 2270 B10R1.2 Cc1cccc(c1O)OC TS55384 [0,2,0,0,0,0|1,0,0]=3 2271 B10R1.2 Cc1ccnc(c1Br)OC TS89231 [0,2,0,0,0,0|0,0,0]=2 2272 B10R1.2 Cc1ccnc(c1Cl)C=O TS10624 [0,2,0,0,0,0|0,0,1]=3 2273 B10R1.2 Cc1ccnc(c1F)C=O TS02040 [0,2,0,0,0,0|0,0,1]=3 2274 B10R1.2 Cc1ccnc(c1N)OC TS06277 [0,2,0,0,0,0|0,0,0]=2 2275 B10R1.2 Cn1cccc(c1=O)CN TS89038 [0,2,0,0,0,0|2,0,0]=4 2276 B10R1.2 Cn1cccc(c1=O)CO TS86425 [0,2,0,0,0,0|2,0,0]=4 2277 B10R1.2 c1[nH]c(=O)c(c(n1)CCl)Cl TS47651 [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [0,2,0,0,0,0|2,0,0]=4 2279 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [0,2,0,0,0,0|2,0,0]=4 2280 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [0,2,0,0,0,0|2,0,0]=4 2281 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [0,2,0,0,0,0|2,0,0]=4 2282 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [0,2,0,0,0,0|2,0,0]=4 2283 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [0,2,0,0,0,0|2,0,0]=4 2284 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [0,2,0,0,0,0|2,0,0]=4 2285 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [0,2,0,0,0,0|2,0,0]=4 2286 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [0,2,0,0,0,0|2,0,0]=4 2287 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [0,2,0,0,0,0|2,0,0]=4 2288 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [0,2,0,0,0,0|2,0,0]=4 2289 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [0,2,0,0,0,0|2,0,0]=4 2290 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [0,2,0,0,0,0|2,0,0]=4 2291 B10R1.2 c1cnc(c(c1C=O)Cl)Cl TS46032 [0,2,0,0,0,0|1,0,1]=4 2292 B10R1.2 c1cnc(c(c1C=O)F)Cl TS08399 [0,2,0,0,0,0|1,0,1]=4 2293 B10R1.8 CCc1cc(cc(c1)C)C TS36869 [0,2,0,0,0,0|1,0,0]=3 2294 B10R1.8 CCc1cc(cc(c1)F)F TS32871 [0,2,0,0,0,0|2,0,0]=4 2295 B10R1.8 CCc1cc(cc(c1)O)C TS06074 [0,2,0,0,0,0|1,0,0]=3 2296 B10R1.8 CCc1cc(nc(n1)C)Cl TS41732 [0,2,0,0,0,0|1,0,0]=3 2297 B10R1.8 CCc1cc(nc(n1)C)O TS71105 [0,2,0,0,0,0|1,0,0]=3 2298 B10R1.8 CCc1cc(nc(n1)N)Cl TS10920 [0,2,0,0,0,0|2,0,0]=4 2299 B10R1.8 CCc1cc(nc(n1)N)O TS37285 [0,2,0,0,0,0|2,0,0]=4 2300 B10R1.8 CCc1cc(nc(n1)S)O TS10702 [0,2,0,0,0,0|2,0,0]=4 2301 B10R1.8 CCc1nc(cc(n1)Cl)N TS10919 [0,2,0,0,0,0|2,0,0]=4 2302 B10R1.8 CNc1cc(nc(n1)F)F TS40277 [0,2,0,0,0,0|2,0,0]=4 2303 B10R1.8 CNc1nc(cc(n1)F)F TS40279 [0,2,0,0,0,0|2,0,0]=4 2304 B10R1.8 COc1cc(cc(c1)Br)Br TS59595 [0,2,0,0,0,0|2,0,0]=4 2305 B10R1.8 COc1cc(cc(c1)Br)F TS65926 [0,2,0,0,0,0|2,0,0]=4 2306 B10R1.8 COc1cc(cc(c1)Cl)Cl TS59597 [0,2,0,0,0,0|2,0,0]=4 2307 B10R1.8 COc1cc(cc(c1)Cl)F TS39999 [0,2,0,0,0,0|2,0,0]=4 2308 B10R1.8 COc1cc(cc(c1)Cl)O TS32936 [0,2,0,0,0,0|2,0,0]=4 2309 B10R1.8 COc1cc(cc(c1)F)F TS65798 [0,2,0,0,0,0|2,0,0]=4 2310 B10R1.8 COc1cc(cc(c1)O)O TS55472 [0,2,0,0,0,0|2,0,0]=4 2311 B10R1.8 COc1cc(nc(n1)N)Cl TS00740 [0,2,0,0,0,0|2,0,0]=4 2312 B10R1.8 COc1cc(nc(n1)N)F TS40060 [0,2,0,0,0,0|2,0,0]=4 2313 B10R1.8 COc1cc(nc(n1)N)N TS00684 [0,2,0,0,0,0|2,0,0]=4 2314 B10R1.8 COc1nc(cc(n1)Cl)Cl TS70844 [0,2,0,0,0,0|2,0,0]=4 2315 B10R1.8 COc1nc(cc(n1)F)N TS40061 [0,2,0,0,0,0|2,0,0]=4 2316 B10R1.8 COc1nc(cc(n1)O)O TS06650 [0,2,0,0,0,0|2,0,0]=4 2317 B10R1.8 CSc1cc(cc(c1)Cl)Cl TS51590 [0,2,0,0,0,0|2,0,0]=4 2318 B10R1.8 CSc1nc(cc(n1)Cl)N TS39321 [0,2,0,0,0,0|2,0,0]=4 2319 B10R1.8 CSc1nc(cc(n1)N)N TS10712 [0,2,0,0,0,0|2,0,0]=4 2320 B10R1.8 CSc1nc(cc(n1)O)O TS10963 [0,2,0,0,0,0|2,0,0]=4 2321 B10R1.8 Cc1cc(=O)nc([nH]1)OC TS06442 [0,2,0,0,0,0|1,0,0]=3 2322 B10R1.8 Cc1cc(cc(=O)o1)OC TS37345 [0,2,0,0,0,0|1,0,0]=3 2323 B10R1.8 Cc1cc(cc(c1)Br)OC TS46928 [0,2,0,0,0,0|1,0,0]=3 2324 B10R1.8 Cc1cc(cc(c1)C#N)C TS65811 [0,2,0,0,0,0|1,0,0]=3 2325 B10R1.8 Cc1cc(cc(c1)C=O)C TS08854 [0,2,0,0,0,0|1,0,0]=3 2326 B10R1.8 Cc1cc(cc(c1)CBr)C TS65814 [0,2,0,0,0,0|1,0,0]=3 2327 B10R1.8 Cc1cc(cc(c1)CCl)C TS41467 [0,2,0,0,0,0|1,0,0]=3 2328 B10R1.8 Cc1cc(cc(c1)CN)C TS65813 [0,2,0,0,0,0|1,0,0]=3 2329 B10R1.8 Cc1cc(cc(c1)CO)C TS06084 [0,2,0,0,0,0|1,0,0]=3 2330 B10R1.8 Cc1cc(cc(c1)Cl)OC TS41723 [0,2,0,0,0,0|1,0,0]=3 2331 B10R1.8 Cc1cc(cc(c1)F)C#N TS59692 [0,2,0,0,0,0|1,0,1]=4 2332 B10R1.8 Cc1cc(cc(c1)F)C=O TS09382 [0,2,0,0,0,0|1,0,1]=4 2333 B10R1.8 Cc1cc(cc(c1)NN)C TS32788 [0,2,0,0,0,0|1,0,0]=3 2334 B10R1.8 Cc1cc(cc(c1)OC)C TS06080 [0,2,0,0,0,0|1,0,0]=3 2335 B10R1.8 Cc1cc(cc(c1)OC)O TS06245 [0,2,0,0,0,0|1,0,0]=3 2336 B10R1.8 Cc1cc(cc(c1)[Mg]Br)C TS20786 [0,2,0,0,0,0|1,0,0]=3 2337 B10R1.8 Cc1cc(cc(n1)C#N)Br TS18402 [0,2,0,0,0,0|1,0,0]=3 2338 B10R1.8 Cc1cc(cc(n1)C#N)Cl TS08999 [0,2,0,0,0,0|1,0,0]=3 2339 B10R1.8 Cc1cc(cc(n1)C)C#N TS05737 [0,2,0,0,0,0|0,0,1]=3 2340 B10R1.8 Cc1cc(cc(n1)C)C=O TS36916 [0,2,0,0,0,0|0,0,1]=3 2341 B10R1.8 Cc1cc(cc(n1)C=O)Br TS18941 [0,2,0,0,0,0|1,0,0]=3 2342 B10R1.8 Cc1cc(cc(n1)CO)Cl TS10906 [0,2,0,0,0,0|1,0,0]=3 2343 B10R1.8 Cc1cc(cc(n1)Cl)C=O TS10619 [0,2,0,0,0,0|0,0,1]=3 2344 B10R1.8 Cc1cc(nc(n1)C)NN TS06281 [0,2,0,0,0,0|1,0,0]=3 2345 B10R1.8 Cc1cc(nc(n1)CCl)O TS32882 [0,2,0,0,0,0|1,0,0]=3 2346 B10R1.8 Cc1cc(nc(n1)Cl)SC TS55231 [0,2,0,0,0,0|1,0,0]=3 2347 B10R1.8 Cc1cc(nc(n1)N)C#N TS05884 [0,2,0,0,0,0|1,0,1]=4 2348 B10R1.8 Cc1cc(nc(n1)N)NN TS47397 [0,2,0,0,0,0|2,0,0]=4 2349 B10R1.8 Cc1cc(nc(n1)N)OC TS06378 [0,2,0,0,0,0|1,0,0]=3 2350 B10R1.8 Cc1cc(nc(n1)NN)C TS06280 [0,2,0,0,0,0|1,0,0]=3 2351 B10R1.8 Cc1cc(nc(n1)OC)C TS01090 [0,2,0,0,0,0|1,0,0]=3 2352 B10R1.8 Cc1cc(nc(n1)SC)C TS02933 [0,2,0,0,0,0|1,0,0]=3 2353 B10R1.8 Cc1cc(nc(n1)SC)Cl TS70831 [0,2,0,0,0,0|1,0,0]=3 2354 B10R1.8 Cc1nc(cc(n1)Cl)SC TS87876 [0,2,0,0,0,0|1,0,0]=3 2355 B10R1.8 Cc1nc(nc(n1)OC)N TS06450 [0,2,0,0,0,0|2,0,0]=4 2356 B10R1.8 c1c([nH]c(nc1=O)N)CO TS00792 [0,2,0,0,0,0|2,0,0]=4 2357 B10R1.8 c1c(cc(cc1Br)Br)CBr TS63568 [0,2,0,0,0,0|2,0,0]=4 2358 B10R1.8 c1c(cc(cc1Br)Br)CN TS59077 [0,2,0,0,0,0|2,0,0]=4 2359 B10R1.8 c1c(cc(cc1Br)Br)CO TS02351 [0,2,0,0,0,0|2,0,0]=4 2360 B10R1.8 c1c(cc(cc1Cl)Cl)CN TS46043 [0,2,0,0,0,0|2,0,0]=4 2361 B10R1.8 c1c(cc(cc1Cl)Cl)CO TS65787 [0,2,0,0,0,0|2,0,0]=4 2362 B10R1.8 c1c(cc(cc1F)Br)CBr TS09337 [0,2,0,0,0,0|2,0,0]=4 2363 B10R1.8 c1c(cc(cc1F)Br)CN TS19669 [0,2,0,0,0,0|2,0,0]=4 2364 B10R1.8 c1c(cc(cc1F)Br)CO TS09336 [0,2,0,0,0,0|2,0,0]=4 2365 B10R1.8 c1c(cc(cc1F)Cl)CBr TS09355 [0,2,0,0,0,0|2,0,0]=4 2366 B10R1.8 c1c(cc(cc1F)Cl)CO TS09354 [0,2,0,0,0,0|2,0,0]=4 2367 B10R1.8 c1c(cc(cc1F)F)CBr TS02584 [0,2,0,0,0,0|2,0,0]=4 2368 B10R1.8 c1c(cc(cc1F)F)CCl TS42526 [0,2,0,0,0,0|2,0,0]=4 2369 B10R1.8 c1c(cc(cc1F)F)CN TS40064 [0,2,0,0,0,0|2,0,0]=4 2370 B10R1.8 c1c(cc(cc1F)F)CO TS02583 [0,2,0,0,0,0|2,0,0]=4 2371 B10R1.8 c1c(cc(cc1F)F)C[Zn+] TS33418 [0,2,0,0,0,0|2,0,0]=4 2372 B10R1.8 c1c(cc(cc1N)N)CO TS43950 [0,2,0,0,0,0|2,0,0]=4 2373 B10R1.8 c1c(cc(cc1O)Cl)CO TS11085 [0,2,0,0,0,0|2,0,0]=4 2374 B10R1.8 c1c(cc(cc1O)O)CO TS71319 [0,2,0,0,0,0|2,0,0]=4 2375 B10R1.8 c1c(cc(nc1Br)Br)C=O TS00695 [0,2,0,0,0,0|1,0,1]=4 2376 B10R1.8 c1c(cc(nc1Br)Br)CO TS90409 [0,2,0,0,0,0|1,0,0]=3 2377 B10R1.8 c1c(cc(nc1Cl)Cl)C#N TS47304 [0,2,0,0,0,0|1,0,1]=4 2378 B10R1.8 c1c(cc(nc1Cl)Cl)C=O TS47302 [0,2,0,0,0,0|1,0,1]=4 2379 B10R1.8 c1c(cc(nc1Cl)Cl)CCl TS18348 [0,2,0,0,0,0|1,0,0]=3 2380 B10R1.8 c1c(cc(nc1Cl)Cl)CN TS13972 [0,2,0,0,0,0|1,0,0]=3 2381 B10R1.8 c1c(cc(nc1F)F)C#N TS37333 [0,2,0,0,0,0|1,0,1]=4 2382 B10R1.10 C=CCc1cccc(c1)F TS36995 [0,2,0,0,0,0|2,0,0]=4 2383 B10R1.10 CCCc1cccc(c1)C TS36863 [0,2,0,0,0,0|1,0,0]=3 2384 B10R1.10 CCCc1cccc(c1)O TS70692 [0,2,0,0,0,0|2,0,0]=4 2385 B10R1.10 CCCc1ccnc(c1)N TS06105 [0,2,0,0,0,0|1,0,0]=3 2386 B10R1.10 CCNc1cc(ncn1)Cl TS10922 [0,2,0,0,0,0|2,0,0]=4 2387 B10R1.10 CCNc1cccc(c1)C TS06008 [0,2,0,0,0,0|1,0,0]=3 2388 B10R1.10 CCNc1nccc(n1)Cl TS10926 [0,2,0,0,0,0|2,0,0]=4 2389 B10R1.10 CCOc1cc(ccn1)Br TS39324 [0,2,0,0,0,0|1,0,0]=3 2390 B10R1.10 CCOc1cc(ccn1)N TS39272 [0,2,0,0,0,0|1,0,0]=3 2391 B10R1.10 CCOc1cc(ncn1)C TS06273 [0,2,0,0,0,0|1,0,0]=3 2392 B10R1.10 CCOc1cccc(c1)Br TS65957 [0,2,0,0,0,0|2,0,0]=4 2393 B10R1.10 CCOc1cccc(c1)C TS06098 [0,2,0,0,0,0|1,0,0]=3 2394 B10R1.10 CCOc1cccc(c1)F TS37372 [0,2,0,0,0,0|2,0,0]=4 2395 B10R1.10 CCOc1cccc(c1)N TS37121 [0,2,0,0,0,0|2,0,0]=4 2396 B10R1.10 CCOc1cccc(c1)O TS06261 [0,2,0,0,0,0|2,0,0]=4 2397 B10R1.10 CCOc1cccc(c1)S TS41409 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [0,2,0,0,0,0|1,0,0]=3 2399 B10R1.10 CCOc1ccnc(c1)F TS06579 [0,2,0,0,0,0|1,0,0]=3 2400 B10R1.10 CCOc1ccnc(c1)N TS06274 [0,2,0,0,0,0|1,0,0]=3 2401 B10R1.10 CNCc1cc(ccn1)Br TS19154 [0,2,0,0,0,0|1,0,0]=3 2402 B10R1.10 CNCc1cccc(c1)Cl TS08974 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.10 CNCc1cccc(c1)N TS37043 [0,2,0,0,0,0|2,0,0]=4 2404 B10R1.10 CNCc1ccnc(c1)Cl TS41733 [0,2,0,0,0,0|1,0,0]=3 2405 B10R1.10 COCc1cccc(c1)F TS37370 [0,2,0,0,0,0|2,0,0]=4 2406 B10R1.10 Cc1cccc(c1)CC#N TS05673 [0,2,0,0,0,0|1,0,0]=3 2407 B10R1.10 Cc1cccc(c1)CCBr TS54163 [0,2,0,0,0,0|1,0,0]=3 2408 B10R1.10 Cc1cccc(c1)CCN TS45399 [0,2,0,0,0,0|1,0,0]=3 2409 B10R1.10 Cc1cccc(c1)CCN TS70669 [0,2,0,0,0,0|1,0,0]=3 2410 B10R1.10 Cc1cccc(c1)CCO TS37008 [0,2,0,0,0,0|1,0,0]=3 2411 B10R1.10 Cc1cccc(c1)CNC TS36964 [0,2,0,0,0,0|1,0,0]=3 2412 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [0,2,0,0,0,0|1,0,1]=4 2413 B10R1.10 Cc1cccc(c1)N=C=S TS07590 [0,2,0,0,0,0|1,0,1]=4 2414 B10R1.10 Cc1cccc(c1)NC=O TS36924 [0,2,0,0,0,0|1,0,1]=4 2415 B10R1.10 Cc1cccc(n1)CCO TS37109 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.10 Cc1cccc(n1)CNC TS65175 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.10 Cc1ccnc(c1)N=C=S TS09909 [0,2,0,0,0,0|0,0,1]=3 2418 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [0,2,0,0,0,0|2,0,0]=4 2419 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [0,2,0,0,0,0|2,0,0]=4 2420 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [0,2,0,0,0,0|2,0,0]=4 2421 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [0,2,0,0,0,0|2,0,0]=4 2422 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [0,2,0,0,0,0|2,0,0]=4 2423 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [0,2,0,0,0,0|2,0,0]=4 2424 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [0,2,0,0,0,0|2,0,0]=4 2425 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [0,2,0,0,0,0|2,0,0]=4 2426 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [0,2,0,0,0,0|2,0,0]=4 2427 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [0,2,0,0,0,0|2,0,0]=4 2428 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [0,2,0,0,0,0|2,0,0]=4 2429 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [0,2,0,0,0,0|2,0,0]=4 2430 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [0,2,0,0,0,0|2,0,0]=4 2431 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [0,2,0,0,0,0|2,0,0]=4 2432 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [0,2,0,0,0,0|2,0,0]=4 2433 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [0,2,0,0,0,0|2,0,0]=4 2434 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [0,2,0,0,0,0|2,0,0]=4 2435 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [0,2,0,0,0,0|2,0,0]=4 2436 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [0,2,0,0,0,0|2,0,0]=4 2437 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [0,2,0,0,0,0|2,0,0]=4 2438 B10R1.10 c1cc(cc(c1)F)CON TS93853 [0,2,0,0,0,0|2,0,0]=4 2439 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [0,2,0,0,0,0|2,0,0]=4 2440 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [0,2,0,0,0,0|2,0,0]=4 2441 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [0,2,0,0,0,0|2,0,0]=4 2442 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [0,2,0,0,0,0|2,0,0]=4 2444 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [0,2,0,0,0,0|2,0,0]=4 2445 B10R1.10 c1cnc(cc1CCN)Br TS49022 [0,2,0,0,0,0|1,0,0]=3 2446 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,2,0,0,0,0|2,0,0]=4 2447 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,2,0,0,0,0|1,0,0]=3 2448 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [0,2,0,0,0,0|2,0,0]=4 2449 B10R1.30 CCc1cc(ccc1I)Br TS76460 [0,2,0,0,0,0|2,0,0]=4 2450 B10R1.30 CCc1cc(ccc1N)Br TS25964 [0,2,0,0,0,0|2,0,0]=4 2451 B10R1.30 CCc1cc(ccc1N)Br TS37843 [0,2,0,0,0,0|2,0,0]=4 2452 B10R1.30 CCc1cc(ccc1N)I TS27559 [0,2,0,0,0,0|2,0,0]=4 2453 B10R1.30 CCc1cc(ccc1O)F TS37365 [0,2,0,0,0,0|2,0,0]=4 2454 B10R1.30 CCc1cc(ccc1O)O TS06259 [0,2,0,0,0,0|2,0,0]=4 2455 B10R1.30 CCc1cc(nnc1Cl)Cl TS13966 [0,2,0,0,0,0|2,0,0]=4 2456 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [0,2,0,0,0,0|2,0,0]=4 2457 B10R1.30 COc1c(cnc(n1)Cl)Br TS16981 [0,2,0,0,0,0|2,0,0]=4 2458 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [0,2,0,0,0,0|2,0,0]=4 2459 B10R1.30 COc1cc(ccc1Br)F TS65379 [0,2,0,0,0,0|2,0,0]=4 2460 B10R1.30 COc1cc(ccc1Br)I TS01774 [0,2,0,0,0,0|2,0,0]=4 2461 B10R1.30 COc1cc(ccc1Br)N TS00018 [0,2,0,0,0,0|2,0,0]=4 2462 B10R1.30 COc1cc(ccc1Br)O TS00019 [0,2,0,0,0,0|2,0,0]=4 2463 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [0,2,0,0,0,0|2,0,0]=4 2464 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [0,2,0,0,0,0|2,0,0]=4 2465 B10R1.30 COc1cc(ccc1Cl)F TS09281 [0,2,0,0,0,0|2,0,0]=4 2466 B10R1.30 COc1cc(ccc1Cl)N TS10907 [0,2,0,0,0,0|2,0,0]=4 2467 B10R1.30 COc1cc(ccc1F)Br TS19895 [0,2,0,0,0,0|2,0,0]=4 2468 B10R1.30 COc1cc(ccc1F)F TS65344 [0,2,0,0,0,0|2,0,0]=4 2469 B10R1.30 COc1cc(ccc1N)Br TS70959 [0,2,0,0,0,0|2,0,0]=4 2470 B10R1.30 COc1cc(ccc1N)F TS93806 [0,2,0,0,0,0|2,0,0]=4 2471 B10R1.30 COc1cc(ccc1N)N TS56779 [0,2,0,0,0,0|2,0,0]=4 2472 B10R1.30 COc1cc(ccc1O)Br TS29434 [0,2,0,0,0,0|2,0,0]=4 2473 B10R1.30 COc1cc(ccc1O)Cl TS11084 [0,2,0,0,0,0|2,0,0]=4 2474 B10R1.30 COc1cc(ccc1O)F TS37549 [0,2,0,0,0,0|2,0,0]=4 2475 B10R1.30 COc1cc(ccc1O)O TS37335 [0,2,0,0,0,0|2,0,0]=4 2476 B10R1.30 CSc1c(cnc(n1)Cl)Br TS26408 [0,2,0,0,0,0|2,0,0]=4 2477 B10R1.30 Cc1cc(c(nn1)O)CN TS88743 [0,2,0,0,0,0|1,0,0]=3 2478 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [0,2,0,0,0,0|1,0,1]=4 2479 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [0,2,0,0,0,0|1,0,1]=4 2480 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [0,2,0,0,0,0|1,0,1]=4 2481 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [0,2,0,0,0,0|1,0,1]=4 2482 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [0,2,0,0,0,0|1,0,1]=4 2483 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [0,2,0,0,0,0|1,0,1]=4 2484 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,2,0,0,0,0|1,0,1]=4 2485 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,2,0,0,0,0|1,0,1]=4 2486 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,2,0,0,0,0|1,0,1]=4 2487 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,2,0,0,0,0|1,0,1]=4 2488 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [0,2,0,0,0,0|1,0,0]=3 2489 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [0,2,0,0,0,0|1,0,0]=3 2490 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [0,2,0,0,0,0|1,0,0]=3 2491 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [0,2,0,0,0,0|1,0,0]=3 2492 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [0,2,0,0,0,0|2,0,0]=4 2493 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,2,0,0,0,0|1,0,0]=3 2494 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,2,0,0,0,0|1,0,0]=3 2495 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,2,0,0,0,0|1,0,0]=3 2496 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,2,0,0,0,0|1,0,0]=3 2497 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [0,2,0,0,0,0|2,0,0]=4 2498 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,2,0,0,0,0|2,0,0]=4 2499 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,2,0,0,0,0|2,0,0]=4 2500 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,2,0,0,0,0|2,0,0]=4 2501 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,2,0,0,0,0|2,0,0]=4 2502 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [0,2,0,0,0,0|2,0,0]=4 2503 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [0,2,0,0,0,0|2,0,0]=4 2504 B10R1.30 Cc1ccc(cc1CN)F TS37290 [0,2,0,0,0,0|2,0,0]=4 2505 B10R1.30 Cc1ccc(cc1CO)F TS37367 [0,2,0,0,0,0|2,0,0]=4 2506 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,2,0,0,0,0|2,0,0]=4 2507 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,2,0,0,0,0|2,0,0]=4 2508 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,2,0,0,0,0|2,0,0]=4 2509 B10R1.30 Cc1ncc(c(n1)OC)N TS71203 [0,2,0,0,0,0|1,0,0]=3 2510 B10R1.30 c1c(c(cnc1Cl)Br)C=O TS86358 [0,2,0,0,0,0|1,0,1]=4 2511 B10R1.30 c1c(c(cnc1Cl)Cl)C=O TS00660 [0,2,0,0,0,0|1,0,1]=4 2512 B10R1.30 c1c(c(cnc1Cl)F)C=O TS07718 [0,2,0,0,0,0|1,0,1]=4 2513 B10R1.30 c1c(c(cnc1Cl)F)CO TS07717 [0,2,0,0,0,0|1,0,0]=3 2514 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [0,2,0,0,0,0|1,0,1]=4 2515 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [0,2,0,0,0,0|2,0,0]=4 2516 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [0,2,0,0,0,0|2,0,0]=4 2517 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [0,2,0,0,0,0|2,0,0]=4 2518 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [0,2,0,0,0,0|2,0,0]=4 2519 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [0,2,0,0,0,0|2,0,0]=4 2520 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [0,2,0,0,0,0|2,0,0]=4 2521 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [0,2,0,0,0,0|2,0,0]=4 2522 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [0,2,0,0,0,0|2,0,0]=4 2523 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [0,2,0,0,0,0|2,0,0]=4 2524 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [0,2,0,0,0,0|2,0,0]=4 2525 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [0,2,0,0,0,0|2,0,0]=4 2526 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [0,2,0,0,0,0|2,0,0]=4 2527 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [0,2,0,0,0,0|2,0,0]=4 2528 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [0,2,0,0,0,0|2,0,0]=4 2529 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [0,2,0,0,0,0|2,0,0]=4 2530 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [0,2,0,0,0,0|2,0,0]=4 2531 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [0,2,0,0,0,0|2,0,0]=4 2532 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [0,2,0,0,0,0|2,0,0]=4 2533 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [0,2,0,0,0,0|2,0,0]=4 2534 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [0,2,0,0,0,0|2,0,0]=4 2535 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [0,2,0,0,0,0|2,0,0]=4 2536 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [0,2,0,0,0,0|2,0,0]=4 2537 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [0,2,0,0,0,0|2,0,0]=4 2538 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [0,2,0,0,0,0|2,0,0]=4 2539 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [0,2,0,0,0,0|2,0,0]=4 2540 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [0,2,0,0,0,0|2,0,0]=4 2541 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [0,2,0,0,0,0|2,0,0]=4 2542 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [0,2,0,0,0,0|2,0,0]=4 2543 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [0,2,0,0,0,0|2,0,0]=4 2544 B10R1.113 B(c1cc(ccn1)C)(O)O TS03182 [0,2,0,0,0,0|1,0,0]=3 2545 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [0,2,0,0,0,0|2,0,0]=4 2546 B10R1.113 B(c1ccnc(c1)C)(O)O TS02447 [0,2,0,0,0,0|1,0,0]=3 2547 B10R1.113 B(c1ccnc(c1)C)(O)O TS45686 [0,2,0,0,0,0|1,0,0]=3 2548 B10R1.113 B(c1ccnc(c1)Cl)(O)O TS00895 [0,2,0,0,0,0|2,0,0]=4 2549 B10R1.113 B(c1ccnc(c1)F)(O)O TS01038 [0,2,0,0,0,0|2,0,0]=4 2550 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,2,0,0,0,0|2,0,0]=4 2551 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,2,0,0,0,0|2,0,0]=4 2552 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,2,0,0,0,0|2,0,0]=4 2553 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,2,0,0,0,0|2,0,0]=4 2554 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,2,0,0,0,0|2,0,0]=4 2555 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,2,0,0,0,0|2,0,0]=4 2556 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,2,0,0,0,0|1,0,0]=3 2557 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,2,0,0,0,0|2,0,0]=4 2558 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [0,2,0,0,0,0|2,0,0]=4 2559 B10R1.113 CC(C)c1cccc(c1)N TS36962 [0,2,0,0,0,0|2,0,0]=4 2560 B10R1.113 CC(C)c1cccc(c1)O TS06076 [0,2,0,0,0,0|2,0,0]=4 2561 B10R1.113 CC(c1cc(=O)nc[nH]1)F TS37553 [0,2,0,0,0,0|2,0,0]=4 2562 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [0,2,0,0,0,0|2,0,0]=4 2563 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [0,2,0,0,0,0|2,0,0]=4 2564 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [0,2,0,0,0,0|2,0,0]=4 2565 B10R1.113 CC(c1cccc(c1)F)N TS37298 [0,2,0,0,0,0|2,0,0]=4 2566 B10R1.113 CC(c1cccc(c1)F)O TS37373 [0,2,0,0,0,0|2,0,0]=4 2567 B10R1.113 CC(c1cccc(c1)N)N TS37034 [0,2,0,0,0,0|2,0,0]=4 2568 B10R1.113 CC(c1cccc(c1)N)O TS37125 [0,2,0,0,0,0|2,0,0]=4 2569 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [0,2,0,0,0,0|2,0,0]=4 2570 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [0,2,0,0,0,0|2,0,0]=4 2571 B10R1.113 CN(C)c1cccc(c1)N TS20698 [0,2,0,0,0,0|2,0,0]=4 2572 B10R1.113 CN(C)c1cccc(c1)O TS06190 [0,2,0,0,0,0|2,0,0]=4 2573 B10R1.113 CN(C)c1cccc(c1)S TS10347 [0,2,0,0,0,0|2,0,0]=4 2574 B10R1.113 CN(C)c1ccnc(n1)Cl TS10923 [0,2,0,0,0,0|2,0,0]=4 2575 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [0,2,0,0,0,0|2,0,0]=4 2576 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [0,2,0,0,0,0|2,0,0]=4 2577 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [0,2,0,0,0,0|2,0,0]=4 2578 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [0,2,0,0,0,0|2,0,0]=4 2579 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [0,2,0,0,0,0|2,0,0]=4 2580 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [0,2,0,0,0,0|2,0,0]=4 2581 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [0,2,0,0,0,0|2,0,0]=4 2582 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [0,2,0,0,0,0|2,0,0]=4 2583 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,2,0,0,0,0|0,0,0]=2 2584 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,2,0,0,0,0|0,0,1]=3 2585 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [0,2,0,0,0,0|1,0,0]=3 2586 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,2,0,0,0,0|1,0,1]=4 2587 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,2,0,0,0,0|1,0,1]=4 2588 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,2,0,0,0,0|1,0,0]=3 2589 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,2,0,0,0,0|1,0,1]=4 2590 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,2,0,0,0,0|1,0,1]=4 2591 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,2,0,0,0,0|1,0,1]=4 2592 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,2,0,0,0,0|1,0,1]=4 2593 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,2,0,0,0,0|1,0,0]=3 2594 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,2,0,0,0,0|1,0,0]=3 2595 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,2,0,0,0,0|1,0,0]=3 2596 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,2,0,0,0,0|1,0,0]=3 2597 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,2,0,0,0,0|1,0,0]=3 2598 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,2,0,0,0,0|2,0,0]=4 2599 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,2,0,0,0,0|2,0,0]=4 2600 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [0,2,0,0,0,0|2,0,0]=4 2601 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,2,0,0,0,0|0,0,0]=2 2602 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,2,0,0,0,0|0,0,1]=3 2603 B10R1.113 Cc1ccnc(c1)C(C)N TS37022 [0,2,0,0,0,0|0,0,0]=2 2604 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [0,2,0,0,0,0|1,0,0]=3 2605 B10R1.113 Cc1ccnc(n1)C(=N)N TS86869 [0,2,0,0,0,0|1,0,1]=4 2606 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,2,0,0,0,0|1,0,1]=4 2607 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,2,0,0,0,0|1,0,1]=4 2608 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [0,2,0,0,0,0|2,0,0]=4 2609 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [0,2,0,0,0,0|2,0,0]=4 2610 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [0,2,0,0,0,0|2,0,0]=4 2611 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [0,2,0,0,0,0|2,0,0]=4 2612 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [0,2,0,0,0,0|2,0,0]=4 2613 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,2,0,0,0,0|1,0,1]=4 2614 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,2,0,0,0,0|1,0,1]=4 2615 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,2,0,0,0,0|1,0,1]=4 2616 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,2,0,0,0,0|1,0,1]=4 2617 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,2,0,0,0,0|1,0,1]=4 2618 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,2,0,0,0,0|1,0,1]=4 2619 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,2,0,0,0,0|1,0,1]=4 2620 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,2,0,0,0,0|1,0,1]=4 2621 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,2,0,0,0,0|1,0,1]=4 2622 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,2,0,0,0,0|1,0,1]=4 2623 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,2,0,0,0,0|1,0,1]=4 2624 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,2,0,0,0,0|1,0,1]=4 2625 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,2,0,0,0,0|1,0,1]=4 2626 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,2,0,0,0,0|1,0,1]=4 2627 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,2,0,0,0,0|1,0,1]=4 2628 B10R1.113 c1cnc(cc1Cl)[N+](=O)[O-] TS71027 [0,2,0,0,0,0|2,0,0]=4 2629 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,2,0,0,0,0|1,0,1]=4 2630 B10R1.113 c1cnc(cc1F)[N+](=O)[O-] TS06644 [0,2,0,0,0,0|2,0,0]=4 2631 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,2,0,0,0,0|1,0,1]=4 2632 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,2,0,0,0,0|1,0,1]=4 2633 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] TS02969 [0,2,0,0,0,0|2,0,0]=4 2634 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,2,0,0,0,0|1,0,1]=4 2635 B10R1.113 c1cnc(cc1O)[N+](=O)[O-] TS06411 [0,2,0,0,0,0|2,0,0]=4 2636 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br TS55108 [0,2,0,0,0,0|2,0,0]=4 2637 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl TS00893 [0,2,0,0,0,0|2,0,0]=4 2638 B10R1.113 c1cnc(cc1[N+](=O)[O-])F TS94879 [0,2,0,0,0,0|2,0,0]=4 2639 B10R1.113 c1cnc(cc1[N+](=O)[O-])N TS71261 [0,2,0,0,0,0|2,0,0]=4 2640 B10R1.113 c1cnc(cc1[N+](=O)[O-])O TS06413 [0,2,0,0,0,0|2,0,0]=4 2641 B10R1.172 CCc1cc(cnc1)CC TS36963 [0,2,0,0,0,0|2,0,0]=4 2642 B10R1.172 CCc1cccc(c1)C#N TS00148 [0,2,0,0,0,0|1,0,1]=4 2643 B10R1.172 CCc1cccc(c1)C=O TS36830 [0,2,0,0,0,0|1,0,1]=4 2644 B10R1.172 CCc1cccc(c1)NN TS13273 [0,2,0,0,0,0|2,0,0]=4 2645 B10R1.172 CCc1cccc(n1)CO TS46566 [0,2,0,0,0,0|2,0,0]=4 2646 B10R1.172 CNc1cccc(c1)OC TS37104 [0,2,0,0,0,0|1,0,0]=3 2647 B10R1.172 CNc1cccc(n1)OC TS37198 [0,2,0,0,0,0|2,0,0]=4 2648 B10R1.172 COc1cc(ccn1)C#N TS36820 [0,2,0,0,0,0|0,0,1]=3 2649 B10R1.172 COc1cc(ccn1)C=O TS55432 [0,2,0,0,0,0|0,0,1]=3 2650 B10R1.172 COc1cc(ccn1)CN TS86154 [0,2,0,0,0,0|0,0,0]=2 2651 B10R1.172 COc1cc(ccn1)CO TS86056 [0,2,0,0,0,0|0,0,0]=2 2652 B10R1.172 COc1cc(cnc1)CN TS92215 [0,2,0,0,0,0|2,0,0]=4 2653 B10R1.172 COc1cc(cnc1)CO TS86006 [0,2,0,0,0,0|2,0,0]=4 2654 B10R1.172 COc1cc(cnc1)OC TS02599 [0,2,0,0,0,0|2,0,0]=4 2655 B10R1.172 COc1cc(ncn1)CN TS90796 [0,2,0,0,0,0|1,0,0]=3 2656 B10R1.172 COc1cc(ncn1)OC TS02932 [0,2,0,0,0,0|1,0,0]=3 2657 B10R1.172 COc1cccc(c1)C#C TS36666 [0,2,0,0,0,0|1,0,1]=4 2658 B10R1.172 COc1cccc(c1)C#N TS39448 [0,2,0,0,0,0|1,0,1]=4 2659 B10R1.172 COc1cccc(c1)C=O TS02819 [0,2,0,0,0,0|1,0,1]=4 2660 B10R1.172 COc1cccc(c1)CBr TS38037 [0,2,0,0,0,0|1,0,0]=3 2661 B10R1.172 COc1cccc(c1)CCl TS39449 [0,2,0,0,0,0|1,0,0]=3 2662 B10R1.172 COc1cccc(c1)CN TS60017 [0,2,0,0,0,0|1,0,0]=3 2663 B10R1.172 COc1cccc(c1)CO TS39311 [0,2,0,0,0,0|1,0,0]=3 2664 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [0,2,0,0,0,0|1,0,0]=3 2665 B10R1.172 COc1cccc(c1)NN TS02825 [0,2,0,0,0,0|2,0,0]=4 2666 B10R1.172 COc1cccc(c1)OC TS46804 [0,2,0,0,0,0|1,0,0]=3 2667 B10R1.172 COc1cccc(c1)SC TS41406 [0,2,0,0,0,0|1,0,0]=3 2668 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [0,2,0,0,0,0|2,0,0]=4 2669 B10R1.172 COc1cccc(n1)CN TS46568 [0,2,0,0,0,0|2,0,0]=4 2670 B10R1.172 COc1cccc(n1)CO TS06371 [0,2,0,0,0,0|2,0,0]=4 2671 B10R1.172 COc1cccc(n1)OC TS65016 [0,2,0,0,0,0|2,0,0]=4 2672 B10R1.172 COc1ccnc(c1)CO TS46547 [0,2,0,0,0,0|0,0,0]=2 2673 B10R1.172 COc1ccnc(c1)OC TS06363 [0,2,0,0,0,0|0,0,0]=2 2674 B10R1.172 COc1ccnc(n1)C#N TS88323 [0,2,0,0,0,0|1,0,1]=4 2675 B10R1.172 COc1ccnc(n1)OC TS47234 [0,2,0,0,0,0|1,0,0]=3 2676 B10R1.172 COc1nccc(n1)CN TS87069 [0,2,0,0,0,0|1,0,0]=3 2677 B10R1.172 COc1nccc(n1)CO TS89082 [0,2,0,0,0,0|1,0,0]=3 2678 B10R1.172 CSc1ccnc(c1)SC TS45357 [0,2,0,0,0,0|0,0,0]=2 2679 B10R1.172 CSc1nccc(n1)C=O TS02454 [0,2,0,0,0,0|1,0,1]=4 2680 B10R1.172 CSc1nccc(n1)CBr TS49561 [0,2,0,0,0,0|1,0,0]=3 2681 B10R1.172 c1c(cncc1CCl)CCl TS21400 [0,2,0,0,0,0|2,0,0]=4 2682 B10R1.172 c1c(cncc1CN)CN TS06201 [0,2,0,0,0,0|2,0,0]=4 2683 B10R1.172 c1c(cncc1CO)CO TS06362 [0,2,0,0,0,0|2,0,0]=4 2684 B10R1.172 c1cc(cc(c1)C#N)CBr TS02725 [0,2,0,0,0,0|1,0,1]=4 2685 B10R1.172 c1cc(cc(c1)C#N)CCl TS00144 [0,2,0,0,0,0|1,0,1]=4 2686 B10R1.172 c1cc(cc(c1)C#N)CN TS02724 [0,2,0,0,0,0|1,0,1]=4 2687 B10R1.172 c1cc(cc(c1)C#N)CN TS12626 [0,2,0,0,0,0|1,0,1]=4 2688 B10R1.172 c1cc(cc(c1)C#N)C[Zn+] TS29700 [0,2,0,0,0,0|1,0,1]=4 2689 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [0,2,0,0,0,0|1,0,1]=4 2690 B10R1.172 c1cc(cc(c1)CBr)CBr TS29983 [0,2,0,0,0,0|1,0,0]=3 2691 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [0,2,0,0,0,0|1,0,0]=3 2692 B10R1.172 c1cc(cc(c1)CCl)CCl TS13623 [0,2,0,0,0,0|1,0,0]=3 2693 B10R1.172 c1cc(cc(c1)CN)CN TS39703 [0,2,0,0,0,0|1,0,0]=3 2694 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [0,2,0,0,0,0|1,0,0]=3 2695 B10R1.172 c1cc(cc(c1)CS)CS TS12898 [0,2,0,0,0,0|1,0,0]=3 2696 B10R1.172 c1cc(nc(c1)CBr)CBr TS30108 [0,2,0,0,0,0|2,0,0]=4 2697 B10R1.172 c1cc(nc(c1)CBr)CO TS38193 [0,2,0,0,0,0|2,0,0]=4 2698 B10R1.172 c1cc(nc(c1)CCl)CCl TS21401 [0,2,0,0,0,0|2,0,0]=4 2699 B10R1.172 c1cc(nc(c1)CCl)CCl TS46038 [0,2,0,0,0,0|2,0,0]=4 2700 B10R1.172 c1cc(nc(c1)CO)CN TS37187 [0,2,0,0,0,0|2,0,0]=4 2701 B10R1.172 c1cc(nc(c1)CO)CO TS00714 [0,2,0,0,0,0|2,0,0]=4 2702 B10R1.172 c1cc(nc(c1)CO)CO TS13759 [0,2,0,0,0,0|2,0,0]=4 2703 B10R1.172 c1cnc(cc1C#N)C#N TS05445 [0,2,0,0,0,0|0,0,2]=4 2704 B10R1.172 c1cnc(cc1C=O)C#N TS00974 [0,2,0,0,0,0|0,0,2]=4 2705 B10R1.172 c1cnc(cc1C=O)CN TS06057 [0,2,0,0,0,0|0,0,1]=3 2706 B10R1.172 c1cnc(cc1CO)C#N TS36809 [0,2,0,0,0,0|0,0,1]=3 2707 B10R1.176 C1C(=NC=C(C1=O)O)CO TS37471 [0,2,0,0,0,0|1,0,1]=4 2708 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [0,2,0,0,0,0|1,0,0]=3 2709 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [0,2,0,0,0,0|2,0,0]=4 2710 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [0,2,0,0,0,0|2,0,0]=4 2711 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [0,2,0,0,0,0|2,0,0]=4 2712 B10R1.176 COc1[nH]c(=O)c(cn1)F TS06915 [0,2,0,0,0,0|2,0,0]=4 2713 B10R1.176 COc1cc(c(cn1)Br)N TS87112 [0,2,0,0,0,0|1,0,0]=3 2714 B10R1.176 COc1cc(c(cn1)F)Br TS16770 [0,2,0,0,0,0|1,0,0]=3 2715 B10R1.176 COc1cc(c(cn1)F)I TS65163 [0,2,0,0,0,0|1,0,0]=3 2716 B10R1.176 COc1cc(c(cn1)N)N TS01260 [0,2,0,0,0,0|1,0,0]=3 2717 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [0,2,0,0,0,0|2,0,0]=4 2718 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [0,2,0,0,0,0|2,0,0]=4 2719 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [0,2,0,0,0,0|2,0,0]=4 2720 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [0,2,0,0,0,0|2,0,0]=4 2721 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [0,2,0,0,0,0|2,0,0]=4 2722 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [0,2,0,0,0,0|2,0,0]=4 2723 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [0,2,0,0,0,0|2,0,0]=4 2724 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [0,2,0,0,0,0|2,0,0]=4 2725 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [0,2,0,0,0,0|2,0,0]=4 2726 B10R1.176 COc1ccc(c(c1)F)F TS60319 [0,2,0,0,0,0|2,0,0]=4 2727 B10R1.176 COc1ccc(c(c1)F)N TS55333 [0,2,0,0,0,0|2,0,0]=4 2728 B10R1.176 COc1ccc(c(c1)F)O TS55337 [0,2,0,0,0,0|2,0,0]=4 2729 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [0,2,0,0,0,0|2,0,0]=4 2730 B10R1.176 COc1ccc(c(c1)I)N TS60298 [0,2,0,0,0,0|2,0,0]=4 2731 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [0,2,0,0,0,0|2,0,0]=4 2732 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [0,2,0,0,0,0|2,0,0]=4 2733 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [0,2,0,0,0,0|2,0,0]=4 2734 B10R1.176 COc1ccc(c(c1)N)F TS09302 [0,2,0,0,0,0|2,0,0]=4 2735 B10R1.176 COc1ccc(c(c1)N)N TS94383 [0,2,0,0,0,0|2,0,0]=4 2736 B10R1.176 COc1ccc(c(c1)N)O TS08806 [0,2,0,0,0,0|2,0,0]=4 2737 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [0,2,0,0,0,0|2,0,0]=4 2738 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [0,2,0,0,0,0|2,0,0]=4 2739 B10R1.176 COc1ccc(c(c1)O)N TS13758 [0,2,0,0,0,0|2,0,0]=4 2740 B10R1.176 COc1ncc(c(n1)N)F TS40059 [0,2,0,0,0,0|2,0,0]=4 2741 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [0,2,0,0,0,0|2,0,0]=4 2742 B10R1.176 CSc1ncc(c(n1)Cl)Br TS85512 [0,2,0,0,0,0|2,0,0]=4 2743 B10R1.176 CSc1ncc(c(n1)Cl)Cl TS90963 [0,2,0,0,0,0|2,0,0]=4 2744 B10R1.176 CSc1ncc(c(n1)Cl)F TS87858 [0,2,0,0,0,0|2,0,0]=4 2745 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [0,2,0,0,0,0|2,0,0]=4 2746 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [0,2,0,0,0,0|2,0,0]=4 2747 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [0,2,0,0,0,0|2,0,0]=4 2748 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [0,2,0,0,0,0|2,0,0]=4 2749 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [0,2,0,0,0,0|1,0,1]=4 2750 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [0,2,0,0,0,0|2,0,0]=4 2751 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [0,2,0,0,0,0|1,0,0]=3 2752 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [0,2,0,0,0,0|1,0,1]=4 2753 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [0,2,0,0,0,0|1,0,1]=4 2754 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [0,2,0,0,0,0|2,0,0]=4 2755 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [0,2,0,0,0,0|1,0,0]=3 2756 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [0,2,0,0,0,0|1,0,1]=4 2757 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [0,2,0,0,0,0|1,0,1]=4 2758 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [0,2,0,0,0,0|1,0,1]=4 2759 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [0,2,0,0,0,0|1,0,0]=3 2760 B10R1.176 Cc1cc(ccc1F)CN TS39504 [0,2,0,0,0,0|1,0,0]=3 2761 B10R1.176 Cc1cc(ccc1F)CO TS37371 [0,2,0,0,0,0|1,0,0]=3 2762 B10R1.176 Cc1cc(ccc1F)OC TS60402 [0,2,0,0,0,0|1,0,0]=3 2763 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [0,2,0,0,0,0|1,0,1]=4 2764 B10R1.176 Cc1cc(ccc1N)OC TS71202 [0,2,0,0,0,0|1,0,0]=3 2765 B10R1.176 Cc1cc(ccn1=O)OC TS37281 [0,2,0,0,0,0|0,0,1]=3 2766 B10R1.176 Cc1cc(cnc1Cl)CO TS10913 [0,2,0,0,0,0|2,0,0]=4 2767 B10R1.176 Cc1cc(ncc1Br)OC TS85442 [0,2,0,0,0,0|0,0,0]=2 2768 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [0,2,0,0,0,0|0,0,1]=3 2769 B10R1.176 Cc1cc(ncc1F)OC TS06580 [0,2,0,0,0,0|0,0,0]=2 2770 B10R1.176 Cc1cc(ncc1N)OC TS37189 [0,2,0,0,0,0|0,0,0]=2 2771 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [0,2,0,0,0,0|1,0,1]=4 2772 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [0,2,0,0,0,0|1,0,1]=4 2773 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [0,2,0,0,0,0|1,0,0]=3 2774 B10R1.176 Cc1ccc(cc1C)CN TS65456 [0,2,0,0,0,0|1,0,0]=3 2775 B10R1.176 Cc1ccc(cc1C)CO TS65455 [0,2,0,0,0,0|1,0,0]=3 2776 B10R1.176 Cc1ccc(cc1C)NN TS13274 [0,2,0,0,0,0|2,0,0]=4 2777 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,2,0,0,0,0|1,0,0]=3 2778 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [0,2,0,0,0,0|2,0,0]=4 2779 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [0,2,0,0,0,0|2,0,0]=4 2780 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [0,2,0,0,0,0|2,0,0]=4 2781 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,2,0,0,0,0|2,0,0]=4 2782 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [0,2,0,0,0,0|2,0,0]=4 2783 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [0,2,0,0,0,0|2,0,0]=4 2784 B10R1.176 Cc1ccc(cc1F)CN TS65517 [0,2,0,0,0,0|2,0,0]=4 2785 B10R1.176 Cc1ccc(cc1F)CO TS06453 [0,2,0,0,0,0|2,0,0]=4 2786 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,2,0,0,0,0|2,0,0]=4 2787 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,2,0,0,0,0|2,0,0]=4 2788 B10R1.176 Cn1cc(ccc1=O)CN TS86810 [0,2,0,0,0,0|2,0,0]=4 2789 B10R1.176 Cn1cc(ccc1=O)CO TS88694 [0,2,0,0,0,0|2,0,0]=4 2790 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [0,2,0,0,0,0|1,0,1]=4 2791 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [0,2,0,0,0,0|1,0,1]=4 2792 B10R1.176 c1c(ncc(c1Cl)F)CO TS88580 [0,2,0,0,0,0|1,0,0]=3 2793 B10R1.176 c1c(ncc(c1N)Br)C#N TS91352 [0,2,0,0,0,0|1,0,1]=4 2794 B10R1.176 c1c(occ(c1=O)O)CO TS06646 [0,2,0,0,0,0|2,0,0]=4 2795 B10R1.176 c1c(occ(c1=O)O)CO TS42677 [0,2,0,0,0,0|2,0,0]=4 2796 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [0,2,0,0,0,0|2,0,0]=4 2797 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [0,2,0,0,0,0|2,0,0]=4 2798 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [0,2,0,0,0,0|2,0,0]=4 2799 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [0,2,0,0,0,0|2,0,0]=4 2800 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [0,2,0,0,0,0|2,0,0]=4 2801 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [0,2,0,0,0,0|2,0,0]=4 2802 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [0,2,0,0,0,0|2,0,0]=4 2803 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [0,2,0,0,0,0|2,0,0]=4 2804 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [0,2,0,0,0,0|2,0,0]=4 2805 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [0,2,0,0,0,0|2,0,0]=4 2806 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [0,2,0,0,0,0|2,0,0]=4 2807 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [0,2,0,0,0,0|2,0,0]=4 2808 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [0,2,0,0,0,0|2,0,0]=4 2809 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [0,2,0,0,0,0|2,0,0]=4 2810 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [0,2,0,0,0,0|2,0,0]=4 2811 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [0,2,0,0,0,0|2,0,0]=4 2812 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [0,2,0,0,0,0|2,0,0]=4 2813 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [0,2,0,0,0,0|2,0,0]=4 2814 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [0,2,0,0,0,0|2,0,0]=4 2815 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [0,2,0,0,0,0|2,0,0]=4 2816 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [0,2,0,0,0,0|2,0,0]=4 2817 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [0,2,0,0,0,0|2,0,0]=4 2818 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [0,2,0,0,0,0|2,0,0]=4 2819 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [0,2,0,0,0,0|2,0,0]=4 2820 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [0,2,0,0,0,0|2,0,0]=4 2821 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [0,2,0,0,0,0|2,0,0]=4 2822 B10R1.22 CC1=CC(=O)C=C(C1=O)C TS00701 [0,2,0,0,0,0|1,0,0]=3 2823 B10R1.22 Cc1c(c(=O)[nH]c(n1)C)I TS62786 [0,2,0,0,0,0|1,0,1]=4 2824 B10R1.22 Cc1c(c(cc(n1)F)I)Cl TS02703 [0,2,0,0,0,0|1,0,0]=3 2825 B10R1.22 Cc1c(c(nc(n1)C)N)Cl TS10921 [0,2,0,0,0,0|1,0,0]=3 2826 B10R1.22 Cc1c(c(nc(n1)Cl)Cl)N TS93222 [0,2,0,0,0,0|2,0,0]=4 2827 B10R1.22 Cc1c(c(nc(n1)Cl)N)N TS39266 [0,2,0,0,0,0|2,0,0]=4 2828 B10R1.22 Cc1c(c(nc(n1)F)F)Cl TS42825 [0,2,0,0,0,0|2,0,0]=4 2829 B10R1.22 Cc1c(c(nc(n1)N)C)Br TS47420 [0,2,0,0,0,0|1,0,0]=3 2830 B10R1.22 Cc1c(c(nc(n1)N)C)I TS27858 [0,2,0,0,0,0|1,0,0]=3 2831 B10R1.22 Cc1c(c(nc(n1)N)Cl)Br TS16788 [0,2,0,0,0,0|2,0,0]=4 2832 B10R1.22 Cc1c(c(nc(n1)N)Cl)I TS73913 [0,2,0,0,0,0|2,0,0]=4 2833 B10R1.22 Cc1c(c(nc(n1)N)O)Br TS19667 [0,2,0,0,0,0|2,0,0]=4 2834 B10R1.22 Cc1c(nc(nc1Cl)C)Cl TS13967 [0,2,0,0,0,0|2,0,0]=4 2835 B10R1.22 Cc1c(nc(nc1O)N)C TS37286 [0,2,0,0,0,0|2,0,0]=4 2836 B10R1.22 Cc1c(oc(=O)cc1O)C TS22853 [0,2,0,0,0,0|2,0,0]=4 2837 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS24301 [0,2,0,0,0,0|0,0,1]=3 2838 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS58008 [0,2,0,0,0,0|0,0,1]=3 2839 B10R1.22 Cc1cc(c(c(c1)Br)F)C TS19505 [0,2,0,0,0,0|1,0,0]=3 2840 B10R1.22 Cc1cc(c(c(c1)Br)I)Br TS67028 [0,2,0,0,0,0|2,0,0]=4 2841 B10R1.22 Cc1cc(c(c(c1)Br)N)Br TS00691 [0,2,0,0,0,0|2,0,0]=4 2842 B10R1.22 Cc1cc(c(c(c1)Br)N)C TS55093 [0,2,0,0,0,0|1,0,0]=3 2843 B10R1.22 Cc1cc(c(c(c1)Br)O)Br TS73451 [0,2,0,0,0,0|2,0,0]=4 2844 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [0,2,0,0,0,0|1,0,0]=3 2845 B10R1.22 Cc1cc(c(c(c1)C)Br)C TS39648 [0,2,0,0,0,0|1,0,0]=3 2846 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [0,2,0,0,0,0|1,0,0]=3 2847 B10R1.22 Cc1cc(c(c(c1)C)Cl)C TS41468 [0,2,0,0,0,0|1,0,0]=3 2848 B10R1.22 Cc1cc(c(c(c1)C)F)C TS06285 [0,2,0,0,0,0|1,0,0]=3 2849 B10R1.22 Cc1cc(c(c(c1)C)I)C TS27404 [0,2,0,0,0,0|1,0,0]=3 2850 B10R1.22 Cc1cc(c(c(c1)C)N)C TS36959 [0,2,0,0,0,0|1,0,0]=3 2851 B10R1.22 Cc1cc(c(c(c1)C)S)C TS41193 [0,2,0,0,0,0|1,0,0]=3 2852 B10R1.22 Cc1cc(c(c(c1)Cl)N)C TS41560 [0,2,0,0,0,0|1,0,0]=3 2853 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl TS13960 [0,2,0,0,0,0|2,0,0]=4 2854 B10R1.22 Cc1cc(c(c(c1)F)F)F TS65443 [0,2,0,0,0,0|2,0,0]=4 2855 B10R1.22 Cc1cc(c(c(c1)I)I)C TS66275 [0,2,0,0,0,0|1,0,0]=3 2856 B10R1.22 Cc1cc(c(c(c1)I)N)C TS27557 [0,2,0,0,0,0|1,0,0]=3 2857 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [0,2,0,0,0,0|1,0,0]=3 2858 B10R1.22 Cc1cc(c(c(c1)N)N)C TS37045 [0,2,0,0,0,0|1,0,0]=3 2859 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [0,2,0,0,0,0|1,0,0]=3 2860 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [0,2,0,0,0,0|1,0,0]=3 2861 B10R1.22 Cc1cc(c(c(c1)O)C)O TS06263 [0,2,0,0,0,0|2,0,0]=4 2862 B10R1.22 Cc1cc(c(c(c1)O)Cl)C TS41728 [0,2,0,0,0,0|1,0,0]=3 2863 B10R1.22 Cc1cc(c(c(c1)O)O)O TS06435 [0,2,0,0,0,0|2,0,0]=4 2864 B10R1.22 Cc1cc(c(c(n1)Br)O)Br TS30359 [0,2,0,0,0,0|1,0,0]=3 2865 B10R1.22 Cc1cc(c(c(n1)C)Br)Br TS68906 [0,2,0,0,0,0|1,0,0]=3 2866 B10R1.22 Cc1cc(cc(c1Br)C)O TS16766 [0,2,0,0,0,0|1,0,0]=3 2867 B10R1.22 Cc1cc(cc(c1C)C)N TS36941 [0,2,0,0,0,0|1,0,0]=3 2868 B10R1.22 Cc1cc(cc(c1C)C)O TS06086 [0,2,0,0,0,0|1,0,0]=3 2869 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [0,2,0,0,0,0|2,0,0]=4 2870 B10R1.22 Cc1cc(cc(c1Cl)C)Br TS49665 [0,2,0,0,0,0|1,0,0]=3 2871 B10R1.22 Cc1cc(cc(c1Cl)C)F TS09280 [0,2,0,0,0,0|1,0,0]=3 2872 B10R1.22 Cc1cc(cc(c1Cl)C)O TS71031 [0,2,0,0,0,0|1,0,0]=3 2873 B10R1.22 Cc1cc(cc(c1F)C)Br TS71422 [0,2,0,0,0,0|1,0,0]=3 2874 B10R1.22 Cc1cc(cc(c1F)C)N TS37291 [0,2,0,0,0,0|1,0,0]=3 2875 B10R1.22 Cc1cc(cc(c1F)F)F TS65310 [0,2,0,0,0,0|2,0,0]=4 2876 B10R1.22 Cc1cc(cc(c1I)C)Br TS09785 [0,2,0,0,0,0|1,0,0]=3 2877 B10R1.22 Cc1cc(cc(c1I)C)I TS66271 [0,2,0,0,0,0|1,0,0]=3 2878 B10R1.22 Cc1cc(cc(c1I)C)N TS71190 [0,2,0,0,0,0|1,0,0]=3 2879 B10R1.22 Cc1cc(cc(c1I)C)O TS16727 [0,2,0,0,0,0|1,0,0]=3 2880 B10R1.22 Cc1cc(cc(c1I)Cl)Cl TS35012 [0,2,0,0,0,0|2,0,0]=4 2881 B10R1.22 Cc1cc(cc(c1I)O)Cl TS73798 [0,2,0,0,0,0|2,0,0]=4 2882 B10R1.22 Cc1cc(cc(c1N)Br)Br TS09264 [0,2,0,0,0,0|2,0,0]=4 2883 B10R1.22 Cc1cc(cc(c1N)Br)F TS55103 [0,2,0,0,0,0|2,0,0]=4 2884 B10R1.22 Cc1cc(cc(c1N)C)Br TS37845 [0,2,0,0,0,0|1,0,0]=3 2885 B10R1.22 Cc1cc(cc(c1N)C)Cl TS51404 [0,2,0,0,0,0|1,0,0]=3 2886 B10R1.22 Cc1cc(cc(c1N)C)Cl TS60056 [0,2,0,0,0,0|1,0,0]=3 2887 B10R1.22 Cc1cc(cc(c1N)C)F TS37289 [0,2,0,0,0,0|1,0,0]=3 2888 B10R1.22 Cc1cc(cc(c1N)C)I TS27561 [0,2,0,0,0,0|1,0,0]=3 2889 B10R1.22 Cc1cc(cc(c1N)C)O TS06189 [0,2,0,0,0,0|1,0,0]=3 2890 B10R1.22 Cc1cc(cc(c1N)Cl)Cl TS46042 [0,2,0,0,0,0|2,0,0]=4 2891 B10R1.22 Cc1cc(cc(c1N)N)Br TS08702 [0,2,0,0,0,0|2,0,0]=4 2892 B10R1.22 Cc1cc(cc(c1O)Br)Br TS73452 [0,2,0,0,0,0|2,0,0]=4 2893 B10R1.22 Cc1cc(cc(c1O)C)Br TS38039 [0,2,0,0,0,0|1,0,0]=3 2894 B10R1.22 Cc1cc(cc(c1O)C)Cl TS41719 [0,2,0,0,0,0|1,0,0]=3 2895 B10R1.22 Cc1cc(cc(c1O)C)F TS37368 [0,2,0,0,0,0|1,0,0]=3 2896 B10R1.22 Cc1cc(cc(c1O)C)I TS62511 [0,2,0,0,0,0|1,0,0]=3 2897 B10R1.22 Cc1cc(cc(c1O)C)O TS32897 [0,2,0,0,0,0|1,0,0]=3 2898 B10R1.22 Cc1cc(cc(c1O)Cl)Br TS50007 [0,2,0,0,0,0|2,0,0]=4 2899 B10R1.22 Cc1cc(cc(c1O)Cl)Cl TS13954 [0,2,0,0,0,0|2,0,0]=4 2900 B10R1.22 Cc1cc(nc(c1C)O)O TS06372 [0,2,0,0,0,0|1,0,0]=3 2901 B10R1.22 Cc1cc(nc(c1N)Br)C TS08967 [0,2,0,0,0,0|0,0,0]=2 2902 B10R1.22 Cc1cc(nc(c1N)Cl)Cl TS40034 [0,2,0,0,0,0|1,0,0]=3 2903 B10R1.22 Cc1cc(nc(c1N)N)Cl TS90979 [0,2,0,0,0,0|1,0,0]=3 2904 B10R1.22 Cc1nc(c(c(n1)Cl)F)Cl TS16635 [0,2,0,0,0,0|2,0,0]=4 2905 B10R1.22 Cc1nc(c(c(n1)Cl)N)Cl TS70828 [0,2,0,0,0,0|2,0,0]=4 2906 B10R1.22 Cc1nc(c(c(n1)O)F)O TS32658 [0,2,0,0,0,0|2,0,0]=4 2907 B10R1.22 c1c(c(c(nc1Br)Br)O)Br TS63739 [0,2,0,0,0,0|2,0,0]=4 2908 B10R1.22 c1c(c(c(nc1Br)Cl)N)Cl TS57630 [0,2,0,0,0,0|2,0,0]=4 2909 B10R1.22 c1c(c(c(nc1F)F)F)F TS09992 [0,2,0,0,0,0|2,0,0]=4 2910 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [0,2,0,0,0,0|1,0,1]=4 2911 B10R1.119 Cc1c(c(c(cn1)Br)N)Br TS73453 [0,2,0,0,0,0|1,0,0]=3 2912 B10R1.119 Cc1c(c(ccc1F)Br)C TS19504 [0,2,0,0,0,0|2,0,0]=4 2913 B10R1.119 Cc1c(c(ccc1F)F)C TS46806 [0,2,0,0,0,0|2,0,0]=4 2914 B10R1.119 Cc1c(c(ccc1N)F)C TS37296 [0,2,0,0,0,0|2,0,0]=4 2915 B10R1.119 Cc1c(c(ccc1N)O)C TS37123 [0,2,0,0,0,0|2,0,0]=4 2916 B10R1.119 Cc1c(c(ccc1O)Br)C TS38044 [0,2,0,0,0,0|2,0,0]=4 2917 B10R1.119 Cc1c(c(ccc1O)F)C TS06458 [0,2,0,0,0,0|2,0,0]=4 2918 B10R1.119 Cc1c(c(ccc1O)I)C TS62513 [0,2,0,0,0,0|2,0,0]=4 2919 B10R1.119 Cc1c(c(ccc1O)O)C TS47167 [0,2,0,0,0,0|2,0,0]=4 2920 B10R1.119 Cc1c(c(cnc1Cl)F)I TS74161 [0,2,0,0,0,0|2,0,0]=4 2921 B10R1.119 Cc1c(c(cnc1Cl)F)O TS11465 [0,2,0,0,0,0|2,0,0]=4 2922 B10R1.119 Cc1c(c(nnc1Cl)Cl)C TS22766 [0,2,0,0,0,0|2,0,0]=4 2923 B10R1.119 Cc1c(c(nnc1N)Cl)C TS10925 [0,2,0,0,0,0|2,0,0]=4 2924 B10R1.119 Cc1c(c(nnc1O)O)C TS32956 [0,2,0,0,0,0|2,0,0]=4 2925 B10R1.119 Cc1c(ccc(c1Cl)Br)N TS23185 [0,2,0,0,0,0|2,0,0]=4 2926 B10R1.119 Cc1c(ccc(c1Cl)Cl)Cl TS52071 [0,2,0,0,0,0|2,0,0]=4 2927 B10R1.119 Cc1c(ccc(c1Cl)N)Cl TS09224 [0,2,0,0,0,0|2,0,0]=4 2928 B10R1.119 Cc1c(ccc(c1F)Br)F TS39121 [0,2,0,0,0,0|2,0,0]=4 2929 B10R1.119 Cc1c(ccc(c1F)F)Br TS39120 [0,2,0,0,0,0|2,0,0]=4 2930 B10R1.119 Cc1c(ccc(c1N)N)F TS16833 [0,2,0,0,0,0|2,0,0]=4 2931 B10R1.119 Cc1c(cnc(c1Br)Cl)Br TS34870 [0,2,0,0,0,0|1,0,0]=3 2932 B10R1.119 Cc1c(cnc(c1Br)F)Br TS73823 [0,2,0,0,0,0|1,0,0]=3 2933 B10R1.119 Cc1c(cnc(c1Br)N)Br TS47356 [0,2,0,0,0,0|1,0,0]=3 2934 B10R1.119 Cc1c(cnc(c1Br)O)Br TS30357 [0,2,0,0,0,0|1,0,0]=3 2935 B10R1.119 Cc1c(cnc(c1Cl)N)Cl TS13970 [0,2,0,0,0,0|1,0,0]=3 2936 B10R1.119 Cc1c(cnc(c1F)Cl)I TS74163 [0,2,0,0,0,0|1,0,0]=3 2937 B10R1.119 Cc1c(cnc(c1I)N)Br TS61048 [0,2,0,0,0,0|1,0,0]=3 2938 B10R1.119 Cc1c(cnc(c1N)N)Br TS38197 [0,2,0,0,0,0|1,0,0]=3 2939 B10R1.119 Cc1c(cnc(c1N)N)Cl TS10918 [0,2,0,0,0,0|1,0,0]=3 2940 B10R1.119 Cc1c(n(=O)ccc1Cl)C TS65124 [0,2,0,0,0,0|1,0,1]=4 2941 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [0,2,0,0,0,0|1,0,0]=3 2942 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [0,2,0,0,0,0|1,0,0]=3 2943 B10R1.119 Cc1ccc(c(c1C)N)N TS37042 [0,2,0,0,0,0|2,0,0]=4 2944 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [0,2,0,0,0,0|1,0,0]=3 2945 B10R1.119 Cc1ccc(c(c1Cl)Br)Cl TS26441 [0,2,0,0,0,0|2,0,0]=4 2946 B10R1.119 Cc1ccc(c(c1Cl)Cl)Cl TS52069 [0,2,0,0,0,0|2,0,0]=4 2947 B10R1.119 Cc1ccc(c(c1Cl)N)Cl TS47288 [0,2,0,0,0,0|2,0,0]=4 2948 B10R1.119 Cc1ccc(c(c1Cl)O)F TS42238 [0,2,0,0,0,0|2,0,0]=4 2949 B10R1.119 Cc1ccc(c(c1F)C)Br TS19503 [0,2,0,0,0,0|1,0,0]=3 2950 B10R1.119 Cc1ccc(c(c1F)F)F TS60224 [0,2,0,0,0,0|2,0,0]=4 2951 B10R1.119 Cc1ccc(c(c1F)F)O TS06918 [0,2,0,0,0,0|2,0,0]=4 2952 B10R1.119 Cc1ccc(c(c1F)O)Cl TS42236 [0,2,0,0,0,0|2,0,0]=4 2953 B10R1.119 Cc1ccc(c(c1F)O)F TS06919 [0,2,0,0,0,0|2,0,0]=4 2954 B10R1.119 Cc1ccc(c(c1I)C)I TS66274 [0,2,0,0,0,0|1,0,0]=3 2955 B10R1.119 Cc1ccc(c(c1N)C)Cl TS10627 [0,2,0,0,0,0|1,0,0]=3 2956 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [0,2,0,0,0,0|1,0,0]=3 2957 B10R1.119 Cc1ccc(c(c1O)Cl)N TS16778 [0,2,0,0,0,0|2,0,0]=4 2958 B10R1.119 c1c(c(c(c(n1)Br)N)Br)F TS73943 [0,2,0,0,0,0|2,0,0]=4 2959 B10R1.119 c1c(c(c(c(n1)Br)N)N)Br TS87866 [0,2,0,0,0,0|2,0,0]=4 2960 B10R1.119 c1c(c(c(c(n1)Br)N)N)F TS91378 [0,2,0,0,0,0|2,0,0]=4 2961 B10R1.119 c1c(c(c(c(n1)Cl)Br)N)Br TS34966 [0,2,0,0,0,0|2,0,0]=4 2962 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Br TS88805 [0,2,0,0,0,0|2,0,0]=4 2963 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Cl TS87926 [0,2,0,0,0,0|2,0,0]=4 2964 B10R1.119 c1c(c(c(c(n1)Cl)N)N)I TS92654 [0,2,0,0,0,0|2,0,0]=4 2965 B10R1.119 c1c(c(c(c(n1)F)F)F)F TS09991 [0,2,0,0,0,0|2,0,0]=4 2966 B10R1.119 c1c(c(c(c(n1)F)F)N)F TS40590 [0,2,0,0,0,0|2,0,0]=4 2967 B10R1.119 c1c(c(c(c(n1)N)Cl)Cl)Cl TS18507 [0,2,0,0,0,0|2,0,0]=4 2968 B10R1.119 c1c(c(c(c(n1)N)N)Cl)Br TS89673 [0,2,0,0,0,0|2,0,0]=4 2969 B10R1.245 CCc1c(cccc1C)C TS36867 [0,2,0,0,0,0|1,0,0]=3 2970 B10R1.245 Cc1c(c(=O)cc[nH]1)OC TS06357 [0,2,0,0,0,0|1,0,1]=4 2971 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [0,2,0,0,0,0|1,0,0]=3 2972 B10R1.245 Cc1cccc(c1C#N)C TS05674 [0,2,0,0,0,0|1,0,0]=3 2973 B10R1.245 Cc1cccc(c1C#N)F TS55368 [0,2,0,0,0,0|2,0,0]=4 2974 B10R1.245 Cc1cccc(c1C#N)N TS39260 [0,2,0,0,0,0|2,0,0]=4 2975 B10R1.245 Cc1cccc(c1C#N)O TS16697 [0,2,0,0,0,0|2,0,0]=4 2976 B10R1.245 Cc1cccc(c1C=C)C TS36710 [0,2,0,0,0,0|1,0,0]=3 2977 B10R1.245 Cc1cccc(c1C=O)C TS47323 [0,2,0,0,0,0|1,0,0]=3 2978 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [0,2,0,0,0,0|2,0,0]=4 2979 B10R1.245 Cc1cccc(c1CBr)C TS47325 [0,2,0,0,0,0|1,0,0]=3 2980 B10R1.245 Cc1cccc(c1CCl)C TS47326 [0,2,0,0,0,0|1,0,0]=3 2981 B10R1.245 Cc1cccc(c1CN)C TS36957 [0,2,0,0,0,0|1,0,0]=3 2982 B10R1.245 Cc1cccc(c1CO)C TS06075 [0,2,0,0,0,0|1,0,0]=3 2983 B10R1.245 Cc1cccc(c1NN)C TS13272 [0,2,0,0,0,0|1,0,0]=3 2984 B10R1.245 Cc1cccc(c1OC)C TS09255 [0,2,0,0,0,0|1,0,0]=3 2985 B10R1.245 Cc1cccc(c1SC)C TS41197 [0,2,0,0,0,0|1,0,0]=3 2986 B10R1.245 Cc1cccc(c1[N+]#[C-])C TS05670 [0,2,0,0,0,0|1,0,0]=3 2987 B10R1.245 Cc1ccnc(c1C#N)Br TS18389 [0,2,0,0,0,0|1,0,0]=3 2988 B10R1.245 Cc1ccnc(c1C#N)Cl TS10250 [0,2,0,0,0,0|1,0,0]=3 2989 B10R1.245 Cc1ccnc(c1C#N)N TS36768 [0,2,0,0,0,0|1,0,0]=3 2990 B10R1.245 Cc1ccnc(c1C#N)O TS36817 [0,2,0,0,0,0|1,0,0]=3 2991 B10R1.245 Cc1ccnc(c1C=O)Cl TS10613 [0,2,0,0,0,0|1,0,0]=3 2992 B10R1.245 Cc1ccnc(c1C=O)F TS37275 [0,2,0,0,0,0|1,0,0]=3 2993 B10R1.245 Cc1cncc(c1C=O)C TS36920 [0,2,0,0,0,0|2,0,0]=4 2994 B10R1.245 Cc1cncc(c1CO)C TS06185 [0,2,0,0,0,0|2,0,0]=4 2995 B10R1.245 c1cnc(c(c1Cl)C#N)Cl TS13293 [0,2,0,0,0,0|2,0,0]=4 2996 B10R1.245 c1cnc(c(c1Cl)C=O)Cl TS47214 [0,2,0,0,0,0|2,0,0]=4 2997 B10R1.245 c1cnc(c(c1Cl)C=O)N TS88701 [0,2,0,0,0,0|2,0,0]=4 2998 B10R1.245 c1cnc(c(c1I)C=O)Cl TS85140 [0,2,0,0,0,0|2,0,0]=4 2999 B10R1.245 c1cnc(c(c1I)C=O)F TS55331 [0,2,0,0,0,0|2,0,0]=4 3000 B10R1.245 c1cnc(c(c1I)CO)Cl TS07710 [0,2,0,0,0,0|2,0,0]=4 3001 B10R1.245 c1cnc(c(c1I)CO)F TS39273 [0,2,0,0,0,0|2,0,0]=4 3002 B10R1.245 c1cnc(c(c1N)C=O)Cl TS32794 [0,2,0,0,0,0|2,0,0]=4 3003 B10R1.245 c1cnc(c(c1O)C#N)Br TS18762 [0,2,0,0,0,0|2,0,0]=4 3004 B10R1.329 CC1=CC(=CC(C1)(C)C)C TS06124 [0,2,0,0,0,0|1,0,1]=4 3005 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,2,0,0,0,0|1,0,0]=3 3006 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,2,0,0,0,0|1,0,0]=3 3007 B10R1.25 COc1cnc(cc1Cl)N TS86843 [0,2,0,0,0,0|2,0,0]=4 3008 B10R1.25 Cc1c(cnc(n1)N)C#N TS47414 [0,2,0,0,0,0|2,0,0]=4 3009 B10R1.25 Cc1cc(c(cn1)C#N)Cl TS10257 [0,2,0,0,0,0|1,0,0]=3 3010 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,2,0,0,0,0|2,0,0]=4 3011 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,2,0,0,0,0|2,0,0]=4 3012 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,2,0,0,0,0|2,0,0]=4 3013 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,2,0,0,0,0|2,0,0]=4 3014 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,2,0,0,0,0|2,0,0]=4 3015 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,2,0,0,0,0|2,0,0]=4 3016 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,2,0,0,0,0|2,0,0]=4 3017 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,2,0,0,0,0|2,0,0]=4 3018 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,2,0,0,0,0|2,0,0]=4 3019 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,2,0,0,0,0|2,0,0]=4 3020 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,2,0,0,0,0|2,0,0]=4 3021 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,2,0,0,0,0|2,0,0]=4 3022 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,2,0,0,0,0|2,0,0]=4 3023 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,2,0,0,0,0|2,0,0]=4 3024 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,2,0,0,0,0|2,0,0]=4 3025 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,2,0,0,0,0|2,0,0]=4 3026 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,2,0,0,0,0|2,0,0]=4 3027 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,2,0,0,0,0|2,0,0]=4 3028 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,2,0,0,0,0|2,0,0]=4 3029 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [0,2,0,0,0,0|0,0,0]=2 3030 B10R1.25 Cc1cc(ncc1C#N)N TS36767 [0,2,0,0,0,0|1,0,0]=3 3031 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [0,2,0,0,0,0|1,0,0]=3 3032 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,2,0,0,0,0|2,0,0]=4 3033 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,2,0,0,0,0|2,0,0]=4 3034 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,2,0,0,0,0|2,0,0]=4 3035 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,2,0,0,0,0|2,0,0]=4 3036 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,2,0,0,0,0|1,0,0]=3 3037 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,2,0,0,0,0|1,0,0]=3 3038 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,2,0,0,0,0|1,0,0]=3 3039 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,2,0,0,0,0|1,0,0]=3 3040 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,2,0,0,0,0|1,0,0]=3 3041 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,2,0,0,0,0|1,0,0]=3 3042 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,2,0,0,0,0|1,0,0]=3 3043 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,2,0,0,0,0|1,0,0]=3 3044 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,2,0,0,0,0|1,0,0]=3 3045 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,2,0,0,0,0|2,0,0]=4 3046 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,2,0,0,0,0|2,0,0]=4 3047 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,2,0,0,0,0|2,0,0]=4 3048 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,2,0,0,0,0|2,0,0]=4 3049 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,2,0,0,0,0|2,0,0]=4 3050 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,2,0,0,0,0|2,0,0]=4 3051 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,2,0,0,0,0|2,0,0]=4 3052 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,2,0,0,0,0|2,0,0]=4 3053 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,2,0,0,0,0|2,0,0]=4 3054 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,2,0,0,0,0|2,0,0]=4 3055 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,2,0,0,0,0|2,0,0]=4 3056 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,2,0,0,0,0|2,0,0]=4 3057 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,2,0,0,0,0|2,0,0]=4 3058 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,2,0,0,0,0|2,0,0]=4 3059 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [0,2,0,0,0,0|2,0,0]=4 3060 B10R1.25 Cc1ncc(c(n1)N)C#N TS02968 [0,2,0,0,0,0|2,0,0]=4 3061 B10R1.25 Cc1ncc(c(n1)N)C=S TS45014 [0,2,0,0,0,0|2,0,0]=4 3062 B10R1.25 Cc1ncc(c(n1)N)CO TS46541 [0,2,0,0,0,0|2,0,0]=4 3063 B10R1.25 c1c(c(cnc1Cl)C#N)I TS87871 [0,2,0,0,0,0|2,0,0]=4 3064 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [0,2,0,0,0,0|2,0,0]=4 3065 B10R1.25 c1c(c(cnc1Cl)CCl)Cl TS18346 [0,2,0,0,0,0|2,0,0]=4 3066 B10R1.25 c1c(c(cnc1Cl)CO)Cl TS46363 [0,2,0,0,0,0|2,0,0]=4 3067 B10R1.118 CC1=CC(=O)C(=CC1=O)Br TS19139 [0,2,0,0,0,0|2,0,0]=4 3068 B10R1.118 CC1=CC(=O)C(=CC1=O)C TS36987 [0,2,0,0,0,0|2,0,0]=4 3069 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl TS10786 [0,2,0,0,0,0|2,0,0]=4 3070 B10R1.118 Cc1c(cc(c(n1)C)Br)Br TS47318 [0,2,0,0,0,0|2,0,0]=4 3071 B10R1.118 Cc1cc(c(cc1Br)Br)Br TS63566 [0,2,0,0,0,0|2,0,0]=4 3072 B10R1.118 Cc1cc(c(cc1Br)C)Br TS29981 [0,2,0,0,0,0|2,0,0]=4 3073 B10R1.118 Cc1cc(c(cc1Br)C)Cl TS49664 [0,2,0,0,0,0|2,0,0]=4 3074 B10R1.118 Cc1cc(c(cc1Br)C)N TS37846 [0,2,0,0,0,0|2,0,0]=4 3075 B10R1.118 Cc1cc(c(cc1Br)C)O TS38038 [0,2,0,0,0,0|2,0,0]=4 3076 B10R1.118 Cc1cc(c(cc1Br)F)Br TS30469 [0,2,0,0,0,0|2,0,0]=4 3077 B10R1.118 Cc1cc(c(cc1Br)F)F TS65109 [0,2,0,0,0,0|2,0,0]=4 3078 B10R1.118 Cc1cc(c(cc1Br)F)N TS60047 [0,2,0,0,0,0|2,0,0]=4 3079 B10R1.118 Cc1cc(c(cc1C)Br)Br TS02895 [0,2,0,0,0,0|2,0,0]=4 3080 B10R1.118 Cc1cc(c(cc1C)C)C TS36865 [0,2,0,0,0,0|1,0,0]=3 3081 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [0,2,0,0,0,0|2,0,0]=4 3082 B10R1.118 Cc1cc(c(cc1C)I)I TS66272 [0,2,0,0,0,0|2,0,0]=4 3083 B10R1.118 Cc1cc(c(cc1C)I)N TS27560 [0,2,0,0,0,0|2,0,0]=4 3084 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [0,2,0,0,0,0|2,0,0]=4 3085 B10R1.118 Cc1cc(c(cc1C)N)C TS06007 [0,2,0,0,0,0|1,0,0]=3 3086 B10R1.118 Cc1cc(c(cc1C)N)N TS65268 [0,2,0,0,0,0|2,0,0]=4 3087 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [0,2,0,0,0,0|1,0,0]=3 3088 B10R1.118 Cc1cc(c(cc1C)S)C TS41198 [0,2,0,0,0,0|1,0,0]=3 3089 B10R1.118 Cc1cc(c(cc1Cl)C)Cl TS02133 [0,2,0,0,0,0|2,0,0]=4 3090 B10R1.118 Cc1cc(c(cc1Cl)C)N TS41557 [0,2,0,0,0,0|2,0,0]=4 3091 B10R1.118 Cc1cc(c(cc1Cl)C)S TS13279 [0,2,0,0,0,0|2,0,0]=4 3092 B10R1.118 Cc1cc(c(cc1Cl)Cl)Cl TS52074 [0,2,0,0,0,0|2,0,0]=4 3093 B10R1.118 Cc1cc(c(cc1Cl)N)Br TS23184 [0,2,0,0,0,0|2,0,0]=4 3094 B10R1.118 Cc1cc(c(cc1Cl)N)N TS39217 [0,2,0,0,0,0|2,0,0]=4 3095 B10R1.118 Cc1cc(c(cc1Cl)N)O TS10910 [0,2,0,0,0,0|2,0,0]=4 3096 B10R1.118 Cc1cc(c(cc1F)Br)Br TS30470 [0,2,0,0,0,0|2,0,0]=4 3097 B10R1.118 Cc1cc(c(cc1F)Br)Cl TS08997 [0,2,0,0,0,0|2,0,0]=4 3098 B10R1.118 Cc1cc(c(cc1F)Br)I TS00006 [0,2,0,0,0,0|2,0,0]=4 3099 B10R1.118 Cc1cc(c(cc1F)Cl)Br TS50365 [0,2,0,0,0,0|2,0,0]=4 3100 B10R1.118 Cc1cc(c(cc1F)Cl)I TS30873 [0,2,0,0,0,0|2,0,0]=4 3101 B10R1.118 Cc1cc(c(cc1F)Cl)N TS11184 [0,2,0,0,0,0|2,0,0]=4 3102 B10R1.118 Cc1cc(c(cc1F)I)Br TS76744 [0,2,0,0,0,0|2,0,0]=4 3103 B10R1.118 Cc1cc(c(cc1F)N)Br TS65378 [0,2,0,0,0,0|2,0,0]=4 3104 B10R1.118 Cc1cc(c(cc1I)C)I TS66273 [0,2,0,0,0,0|2,0,0]=4 3105 B10R1.118 Cc1cc(c(cc1I)C)N TS27556 [0,2,0,0,0,0|2,0,0]=4 3106 B10R1.118 Cc1cc(c(cc1I)C)O TS62514 [0,2,0,0,0,0|2,0,0]=4 3107 B10R1.118 Cc1cc(c(cc1N)Br)F TS07818 [0,2,0,0,0,0|2,0,0]=4 3108 B10R1.118 Cc1cc(c(cc1N)C)N TS37047 [0,2,0,0,0,0|2,0,0]=4 3109 B10R1.118 Cc1cc(c(cc1N)Cl)N TS41731 [0,2,0,0,0,0|2,0,0]=4 3110 B10R1.118 Cc1cc(c(cc1N)F)Br TS16771 [0,2,0,0,0,0|2,0,0]=4 3111 B10R1.118 Cc1cc(c(cc1N)N)C TS37028 [0,2,0,0,0,0|1,0,0]=3 3112 B10R1.118 Cc1cc(c(cc1O)C)N TS70865 [0,2,0,0,0,0|2,0,0]=4 3113 B10R1.118 Cc1cc(c(cc1O)F)F TS39455 [0,2,0,0,0,0|2,0,0]=4 3114 B10R1.118 Cc1cc(c(cc1O)N)Cl TS10914 [0,2,0,0,0,0|2,0,0]=4 3115 B10R1.118 Cc1cc(c(cc1O)N)F TS39521 [0,2,0,0,0,0|2,0,0]=4 3116 B8R1.7 CC(=O)c1cncs1 TS46736 [0,0,1,1,0,0|2,0,0]=4 3117 B8R2.25 c1ccc2c(c1)C2 TS71846 [1,0,0,1,0,0|1,0,0]=3 3118 B8R2.34 C1C2C=CC1C=C2 TS58948 [1,0,0,1,0,0|1,0,1]=4 3119 B8R2.34 C1C2C=CC1C=C2 TS71860 [1,0,0,1,0,0|1,0,1]=4 3120 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [0,1,0,1,0,0|2,0,0]=4 3121 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [0,1,0,1,0,0|2,0,0]=4 3122 B6R0.3 CC(=NO)C(=O)C TS31543 [0,0,1,0,1,0|2,0,0]=4 3123 B6R0.3 CC(=O)N(C)C=C TS59326 [0,0,1,0,1,0|2,0,0]=4 3124 B6R0.3 CC(C=C)C(=C)C TS03723 [0,0,1,0,1,0|1,0,1]=4 3125 B6R0.3 CC=C(C)C(=O)C TS31447 [0,0,1,0,1,0|1,0,1]=4 3126 B6R1.2 C1=CC(C=C1)[Hf+3] TS64701 [1,0,0,0,1,0|1,0,1]=4 3127 B6R1.2 C1=CC(C=C1)[Nb+4] TS74559 [1,0,0,0,1,0|1,0,1]=4 3128 B6R1.2 C1=CC(C=C1)[Ti+3] TS22641 [1,0,0,0,1,0|1,0,1]=4 3129 B6R1.2 C1=CC(C=C1)[Zr+3] TS29852 [1,0,0,0,1,0|1,0,1]=4 3130 B6R1.2 C1=CN=NC1=O TS03479 [1,0,0,0,1,0|2,0,0]=4 3131 B6R1.2 Cc1[nH]ccn1 TS59974 [1,0,0,0,1,0|1,0,0]=3 3132 B6R1.2 Cc1c[nH]cn1 TS03464 [1,0,0,0,1,0|1,0,0]=3 3133 B6R1.2 Cc1c[nH]nc1 TS04770 [1,0,0,0,1,0|1,0,0]=3 3134 B6R1.2 Cc1c[nH]nc1 TS71226 [1,0,0,0,1,0|1,0,0]=3 3135 B6R1.2 Cc1cc[nH]c1 TS70679 [1,0,0,0,1,0|0,0,1]=3 3136 B6R1.2 Cc1cc[nH]n1 TS70653 [1,0,0,0,1,0|1,0,0]=3 3137 B6R1.2 Cc1ccco1 TS03463 [1,0,0,0,1,0|1,0,0]=3 3138 B6R1.2 Cc1cccs1 TS65607 [1,0,0,0,1,0|1,0,0]=3 3139 B6R1.2 Cc1ccno1 TS71696 [1,0,0,0,1,0|1,0,0]=3 3140 B6R1.2 Cc1ccoc1 TS02846 [1,0,0,0,1,0|1,0,0]=3 3141 B6R1.2 Cc1ccsc1 TS70682 [1,0,0,0,1,0|1,0,0]=3 3142 B6R1.2 Cc1ccsn1 TS39717 [1,0,0,0,1,0|1,0,0]=3 3143 B6R1.2 Cc1cncs1 TS33187 [1,0,0,0,1,0|1,0,0]=3 3144 B6R1.2 Cc1cscn1 TS71246 [1,0,0,0,1,0|1,0,0]=3 3145 B6R1.2 Cc1csnn1 TS03855 [1,0,0,0,1,0|2,0,0]=4 3146 B6R1.2 Cc1nc[nH]n1 TS70651 [1,0,0,0,1,0|2,0,0]=4 3147 B6R1.2 Cn1cccc1 TS03445 [1,0,0,0,1,0|1,0,0]=3 3148 B6R1.2 Cn1cccn1 TS47002 [1,0,0,0,1,0|1,0,0]=3 3149 B6R1.2 Cn1ccnc1 TS00490 [1,0,0,0,1,0|1,0,0]=3 3150 B6R1.2 Cn1ccnn1 TS00462 [1,0,0,0,1,0|2,0,0]=4 3151 B6R1.2 Cn1cncn1 TS22971 [1,0,0,0,1,0|2,0,0]=4 3152 B6R1.2 c1c(cn[nH]1)Br TS70940 [1,0,0,0,1,0|2,0,0]=4 3153 B6R1.2 c1c(cn[nH]1)Cl TS09689 [1,0,0,0,1,0|2,0,0]=4 3154 B6R1.2 c1c(cn[nH]1)F TS03520 [1,0,0,0,1,0|2,0,0]=4 3155 B6R1.2 c1c(cn[nH]1)I TS09720 [1,0,0,0,1,0|2,0,0]=4 3156 B6R1.2 c1c(cn[nH]1)N TS70917 [1,0,0,0,1,0|2,0,0]=4 3157 B6R1.2 c1c(cn[nH]1)N TS70918 [1,0,0,0,1,0|2,0,0]=4 3158 B6R1.2 c1c(con1)N TS02997 [1,0,0,0,1,0|2,0,0]=4 3159 B6R1.2 c1c(csn1)Br TS09610 [1,0,0,0,1,0|2,0,0]=4 3160 B6R1.2 c1c(nc[nH]1)Br TS70938 [1,0,0,0,1,0|2,0,0]=4 3161 B6R1.2 c1c(nc[nH]1)Cl TS01850 [1,0,0,0,1,0|2,0,0]=4 3162 B6R1.2 c1c(nc[nH]1)F TS03521 [1,0,0,0,1,0|2,0,0]=4 3163 B6R1.2 c1c(nc[nH]1)I TS94042 [1,0,0,0,1,0|2,0,0]=4 3164 B6R1.2 c1c(ncs1)Br TS09617 [1,0,0,0,1,0|2,0,0]=4 3165 B6R1.2 c1c(ncs1)Cl TS71080 [1,0,0,0,1,0|2,0,0]=4 3166 B6R1.2 c1c(scn1)Br TS71467 [1,0,0,0,1,0|2,0,0]=4 3167 B6R1.2 c1c(scn1)N TS55508 [1,0,0,0,1,0|2,0,0]=4 3168 B6R1.2 c1c[nH]cc1Br TS40352 [1,0,0,0,1,0|1,0,1]=4 3169 B6R1.2 c1c[nH]nc1Br TS09495 [1,0,0,0,1,0|2,0,0]=4 3170 B6R1.2 c1c[nH]nc1N TS00451 [1,0,0,0,1,0|2,0,0]=4 3171 B6R1.2 c1c[nH]nc1N TS94840 [1,0,0,0,1,0|2,0,0]=4 3172 B6R1.2 c1cc(oc1)Br TS55169 [1,0,0,0,1,0|2,0,0]=4 3173 B6R1.2 c1cc(sc1)Br TS55181 [1,0,0,0,1,0|2,0,0]=4 3174 B6R1.2 c1cc(sc1)Cl TS04771 [1,0,0,0,1,0|2,0,0]=4 3175 B6R1.2 c1cc(sc1)F TS01041 [1,0,0,0,1,0|2,0,0]=4 3176 B6R1.2 c1cc(sc1)I TS07727 [1,0,0,0,1,0|2,0,0]=4 3177 B6R1.2 c1cc(sc1)S TS39686 [1,0,0,0,1,0|2,0,0]=4 3178 B6R1.2 c1cc(sc1)[Zn+] TS24604 [1,0,0,0,1,0|2,0,0]=4 3179 B6R1.2 c1ccn(c1)N TS00391 [1,0,0,0,1,0|2,0,0]=4 3180 B6R1.2 c1ccn(c1)N TS84904 [1,0,0,0,1,0|2,0,0]=4 3181 B6R1.2 c1cn[nH]c1N TS55377 [1,0,0,0,1,0|2,0,0]=4 3182 B6R1.2 c1cnc([nH]1)Br TS55170 [1,0,0,0,1,0|2,0,0]=4 3183 B6R1.2 c1cnc([nH]1)Cl TS08380 [1,0,0,0,1,0|2,0,0]=4 3184 B6R1.2 c1cnc([nH]1)F TS03522 [1,0,0,0,1,0|2,0,0]=4 3185 B6R1.2 c1cnc([nH]1)N TS47471 [1,0,0,0,1,0|2,0,0]=4 3186 B6R1.2 c1cnc([nH]1)N TS47472 [1,0,0,0,1,0|2,0,0]=4 3187 B6R1.2 c1cnc([nH]1)S TS03856 [1,0,0,0,1,0|2,0,0]=4 3188 B6R1.2 c1cnoc1N TS85224 [1,0,0,0,1,0|2,0,0]=4 3189 B6R1.2 c1coc(n1)I TS86803 [1,0,0,0,1,0|2,0,0]=4 3190 B6R1.2 c1coc(n1)N TS00816 [1,0,0,0,1,0|2,0,0]=4 3191 B6R1.2 c1cocc1Br TS65944 [1,0,0,0,1,0|2,0,0]=4 3192 B6R1.2 c1conc1Br TS01843 [1,0,0,0,1,0|2,0,0]=4 3193 B6R1.2 c1conc1Cl TS31649 [1,0,0,0,1,0|2,0,0]=4 3194 B6R1.2 c1conc1N TS65834 [1,0,0,0,1,0|2,0,0]=4 3195 B6R1.2 c1csc(n1)Br TS55175 [1,0,0,0,1,0|2,0,0]=4 3196 B6R1.2 c1csc(n1)Cl TS00969 [1,0,0,0,1,0|2,0,0]=4 3197 B6R1.2 c1csc(n1)N TS06140 [1,0,0,0,1,0|2,0,0]=4 3198 B6R1.2 c1csc(n1)N TS56047 [1,0,0,0,1,0|2,0,0]=4 3199 B6R1.2 c1csc(n1)S TS32304 [1,0,0,0,1,0|2,0,0]=4 3200 B6R1.2 c1csc(n1)[Zn+] TS24766 [1,0,0,0,1,0|2,0,0]=4 3201 B6R1.2 c1cscc1Br TS09501 [1,0,0,0,1,0|2,0,0]=4 3202 B6R1.2 c1cscc1Cl TS04772 [1,0,0,0,1,0|2,0,0]=4 3203 B6R1.2 c1cscc1I TS70636 [1,0,0,0,1,0|2,0,0]=4 3204 B6R1.2 c1cscc1N TS02675 [1,0,0,0,1,0|2,0,0]=4 3205 B6R1.2 c1cscc1N TS88823 [1,0,0,0,1,0|2,0,0]=4 3206 B6R1.2 c1cscc1S TS60165 [1,0,0,0,1,0|2,0,0]=4 3207 B6R1.2 c1csnc1Br TS39302 [1,0,0,0,1,0|2,0,0]=4