0 B16R2.2923 Cc1cccc(c1)Oc2ccccc2F TS19383 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.2923 Cc1ccccc1Nc2cccc(c2)O TS18837 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.31 Cc1cccc(c1)Nc2ccccc2 TS39313 [1,0,0,0,0,0|3,0,0]=4 3 B15R2.31 Cc1cccc(c1)Oc2ccccc2 TS48592 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.31 Cc1cccc(c1)Sc2ccccc2 TS19060 [1,0,0,0,0,0|3,0,0]=4 5 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O TS23370 [1,0,0,0,0,0|3,0,0]=4 6 B15R2.31 c1ccc(cc1)C[n+]2cccc(c2)O TS30249 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N TS48456 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.31 c1ccc(cc1)Cc2cccc(c2)O TS65889 [1,0,0,0,0,0|2,0,0]=3 9 B15R2.31 c1ccc(cc1)Nc2cccc(c2)Br TS27696 [1,0,0,0,0,0|2,1,0]=4 10 B15R2.31 c1ccc(cc1)Nc2cccc(c2)Cl TS38518 [1,0,0,0,0,0|2,1,0]=4 11 B15R2.31 c1ccc(cc1)Nc2cccc(c2)N TS15313 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.31 c1ccc(cc1)Nc2cccc(c2)O TS15456 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.31 c1ccc(cc1)Oc2cccc(c2)Br TS16747 [1,0,0,0,0,0|2,1,0]=4 14 B15R2.31 c1ccc(cc1)Oc2cccc(c2)N TS48736 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O TS70705 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.38 Cc1ccccc1Sc2ccccc2 TS19059 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.38 c1ccc(cc1)Cc2ccccc2Br TS55162 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.38 c1ccc(cc1)Cc2ccccc2Cl TS19488 [1,0,0,0,0,0|2,0,0]=3 19 B15R2.38 c1ccc(cc1)Cc2ccccc2F TS48906 [1,0,0,0,0,0|2,0,0]=3 20 B15R2.38 c1ccc(cc1)Cc2ccccc2N TS48462 [1,0,0,0,0,0|1,0,0]=2 21 B15R2.38 c1ccc(cc1)Cc2ccccc2O TS48584 [1,0,0,0,0,0|2,0,0]=3 22 B15R2.38 c1ccc(cc1)Nc2ccccc2Br TS27699 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.38 c1ccc(cc1)Nc2ccccc2Cl TS38516 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.38 c1ccc(cc1)Nc2ccccc2N TS15303 [1,0,0,0,0,0|2,0,0]=3 25 B15R2.38 c1ccc(cc1)Oc2ccccc2Cl TS19876 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.38 c1ccc(cc1)Oc2ccccc2F TS50715 [1,0,0,0,0,0|3,0,0]=4 27 B15R2.38 c1ccc(cc1)Oc2ccccc2N TS48739 [1,0,0,0,0,0|2,0,0]=3 28 B15R2.38 c1ccc(cc1)Oc2ccccc2O TS65631 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.38 c1ccc(cc1)Sc2ccccc2N TS19252 [1,0,0,0,0,0|2,0,0]=3 30 B17R2.41752 c1ccc(c(c1)C(=O)c2cccc(c2)F)F TS22361 [0,1,0,0,0,0|2,0,1]=4 31 B17R3.3205 c1ccc2cc3cc(ccc3cc2c1)F TS53675 [0,0,0,1,0,0|2,0,1]=4 32 B17R3.30495 Cc1c2c(ccn1)c3ccc(cc3[nH]2)O TS18637 [0,0,0,1,0,0|3,0,0]=4 33 B17R3.30495 Cc1ccc-2c(c1)Cc3c2cccc3C TS17920 [0,0,0,1,0,0|3,0,0]=4 34 B17R3.50126 c1ccc2cc3c(cccc3F)cc2c1 TS53676 [0,0,0,1,0,0|2,0,1]=4 35 B15R2.332 Cc1cccc(n1)c2ccccc2N TS15308 [0,0,0,0,1,0|3,0,0]=4 36 B15R2.332 c1ccc(c(c1)c2cccc(c2)Cl)Cl TS23618 [0,0,0,0,1,0|2,1,0]=4 37 B15R2.332 c1ccc(c(c1)c2cccc(c2)Cl)N TS26474 [0,0,0,0,1,0|1,1,0]=3 38 B15R2.332 c1ccc(c(c1)c2cccc(c2)F)N TS50386 [0,0,0,0,1,0|1,0,0]=2 39 B14R2.6 c1ccc(cc1)Cc2ccccc2 TS01904 [2,0,0,0,0,0|1,0,0]=3 40 B14R2.6 c1ccc(cc1)Cc2ccccn2 TS12701 [2,0,0,0,0,0|2,0,0]=4 41 B14R2.6 c1ccc(cc1)Cc2cccnc2 TS65890 [2,0,0,0,0,0|0,0,0]=2 42 B14R2.6 c1ccc(cc1)Cc2ccncc2 TS12697 [2,0,0,0,0,0|2,0,0]=4 43 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS01903 [2,0,0,0,0,0|2,0,0]=4 44 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS20068 [2,0,0,0,0,0|2,0,0]=4 45 B14R2.6 c1ccc(cc1)Nc2ccccc2 TS73645 [2,0,0,0,0,0|2,0,0]=4 46 B14R2.6 c1ccc(cc1)Nc2cccnc2 TS45149 [2,0,0,0,0,0|1,0,0]=3 47 B14R2.6 c1ccc(cc1)Oc2ccccc2 TS00243 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.6 c1ccc(cc1)Oc2ccccc2 TS77502 [2,0,0,0,0,0|2,0,0]=4 49 B14R2.6 c1ccc(cc1)Pc2ccccc2 TS15589 [2,0,0,0,0,0|2,0,0]=4 50 B14R2.6 c1ccc(cc1)Sc2ccccc2 TS55872 [2,0,0,0,0,0|2,0,0]=4 51 B14R2.6 c1ccc(cc1)[GeH2]c2ccccc2 TS52755 [2,0,0,0,0,0|1,1,0]=4 52 B14R2.6 c1ccc(cc1)[Hg]c2ccccc2 TS79271 [2,0,0,0,0,0|2,0,0]=4 53 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS58946 [2,0,0,0,0,0|2,0,0]=4 54 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS64367 [2,0,0,0,0,0|2,0,0]=4 55 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS72224 [2,0,0,0,0,0|2,0,0]=4 56 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS76868 [2,0,0,0,0,0|2,0,0]=4 57 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS79572 [2,0,0,0,0,0|2,0,0]=4 58 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81334 [2,0,0,0,0,0|2,0,0]=4 59 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81823 [2,0,0,0,0,0|2,0,0]=4 60 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 TS81940 [2,0,0,0,0,0|2,0,0]=4 61 B14R2.6 c1ccc(cc1)[Pb+2]c2ccccc2 TS72387 [2,0,0,0,0,0|2,0,0]=4 62 B14R2.6 c1ccc(cc1)[Se]c2ccccc2 TS53434 [2,0,0,0,0,0|2,0,0]=4 63 B14R2.6 c1ccc(cc1)[SiH2]c2ccccc2 TS48628 [2,0,0,0,0,0|1,1,0]=4 64 B14R2.6 c1ccc(cc1)[Zn]c2ccccc2 TS49675 [2,0,0,0,0,0|2,0,0]=4 65 B16R2.131 c1cc(cc(c1)N)Cc2ccc(cc2)N TS60327 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.236 Cc1cccc(c1)C(c2ccccc2)O TS18652 [1,1,0,0,0,0|2,0,0]=4 67 B16R2.236 c1ccc(cc1)C(=O)c2cccc(c2)F TS18993 [1,1,0,0,0,0|1,0,1]=4 68 B16R2.236 c1ccc(cc1)C(c2cccc(c2)Cl)N TS63341 [1,1,0,0,0,0|1,1,0]=4 69 B16R2.236 c1ccc(cc1)C(c2cccc(c2)Cl)O TS22516 [1,1,0,0,0,0|1,1,0]=4 70 B16R2.236 c1ccc(cc1)C(c2cccc(c2)F)O TS19389 [1,1,0,0,0,0|1,0,0]=3 71 B16R2.251 c1cc(cc(c1)N)Cc2cccc(c2)N TS54065 [1,1,0,0,0,0|2,0,0]=4 72 B16R2.317 Cc1ccc(c(c1)Cc2ccccc2)O TS18650 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.317 c1ccc(cc1)Cc2cc(ccc2O)Cl TS22515 [1,1,0,0,0,0|1,1,0]=4 74 B16R2.172 c1ccc(cc1)Cc2ccccc2CO TS18661 [1,1,0,0,0,0|2,0,0]=4 75 B16R2.172 c1ccc(cc1)Oc2ccccc2NN TS56880 [1,1,0,0,0,0|2,0,0]=4 76 B16R2.312 c1cc(cnc1)Cc2c[nH]c(=O)nc2N TS19380 [1,1,0,0,0,0|2,0,0]=4 77 B16R2.312 c1ccc(cc1)Cc2c[nH]c(=O)nc2N TS38111 [1,1,0,0,0,0|1,0,0]=3 78 B16R2.312 c1ccc(cc1)Cc2ccc(cc2O)O TS19012 [1,1,0,0,0,0|2,0,0]=4 79 B16R2.312 c1ccc(cc1)Nc2ccc(cc2N)Cl TS22518 [1,1,0,0,0,0|2,0,0]=4 80 B16R2.312 c1ccc(cc1)Nc2ccc(cc2N)N TS37757 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.1129 c1ccc(c(c1)Cc2ccc(cc2)N)N TS54063 [1,1,0,0,0,0|1,0,0]=3 82 B16R2.1129 c1ccc(c(c1)Cc2ccc(cc2)O)O TS19018 [1,1,0,0,0,0|2,0,0]=4 83 B16R2.1129 c1ccc(c(c1)N)Nc2ccc(cc2)Cl TS22519 [1,1,0,0,0,0|2,0,0]=4 84 B16R2.1129 c1ccc(c(c1)N)Sc2ccc(cc2)Cl TS56730 [1,1,0,0,0,0|2,0,0]=4 85 B16R2.3896 Cc1ccccc1C(c2ccccc2)Cl TS49197 [1,1,0,0,0,0|2,0,0]=4 86 B16R2.3896 Cc1ccccc1C(c2ccccc2)O TS18657 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.3896 c1ccc(cc1)C(=O)c2ccccc2N TS08809 [1,1,0,0,0,0|1,0,1]=4 88 B16R2.3896 c1ccc(cc1)C(=O)c2cccnc2O TS18818 [1,1,0,0,0,0|1,0,1]=4 89 B16R2.3896 c1ccc(cc1)C(c2ccccc2Cl)N TS63342 [1,1,0,0,0,0|2,0,0]=4 90 B16R2.3896 c1ccc(cc1)C(c2ccccc2N)O TS37742 [1,1,0,0,0,0|1,0,0]=3 91 B16R2.3896 c1ccc(cc1)[C@@H](c2ccccc2F)O TS19384 [1,1,0,0,0,0|2,0,0]=4 92 B16R2.3896 c1ccc(cc1)[C@H](c2ccccc2Cl)O TS22512 [1,1,0,0,0,0|2,0,0]=4 93 B16R2.3896 c1ccc(cc1)[C@H](c2ccccc2F)O TS19382 [1,1,0,0,0,0|2,0,0]=4 94 B16R2.4062 Cc1ccccc1Oc2ccccc2N TS37749 [1,1,0,0,0,0|2,0,0]=4 95 B16R2.4062 c1ccc(c(c1)Cc2ccccc2O)O TS19008 [1,1,0,0,0,0|2,0,0]=4 96 B16R2.4062 c1ccc(c(c1)N)Oc2ccccc2N TS19024 [1,1,0,0,0,0|2,0,0]=4 97 B16R2.4062 c1ccc(c(c1)N)Sc2ccccc2N TS22103 [1,1,0,0,0,0|2,0,0]=4 98 B16R2.2245 c1ccc(c(c1)C=O)c2cccc(c2)F TS18994 [0,1,0,0,1,0|2,0,0]=4 99 B16R2.3269 Cc1ccc(cc1C)c2ccccc2N TS25471 [0,1,0,0,1,0|2,0,0]=4 100 B18R2.444 c1cc(cc(c1)Cl)CCc2cccnc2C#N TS57794 [0,1,0,0,0,1|0,1,1]=4 101 B18R2.65901 c1cc(cc(c1)F)COc2ccc(cc2Cl)N TS22837 [0,1,0,0,0,1|2,0,0]=4 102 B16R3.2637 Cc1ccc-2c(c1)Cc3c2cccc3 TS47971 [1,0,0,1,0,0|2,0,0]=4 103 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)Br TS55168 [1,0,0,1,0,0|1,1,0]=4 104 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)Cl TS38011 [1,0,0,1,0,0|1,1,0]=4 105 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)F TS15270 [1,0,0,1,0,0|1,0,0]=3 106 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)I TS58262 [1,0,0,1,0,0|1,1,0]=4 107 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)N TS33209 [1,0,0,1,0,0|2,0,0]=4 108 B16R3.2637 c1ccc-2c(c1)Cc3c2ccc(c3)O TS14985 [1,0,0,1,0,0|2,0,0]=4 109 B16R3.27838 Cc1cccc2c1-c3ccccc3C2 TS47970 [1,0,0,1,0,0|2,0,0]=4 110 B16R3.1720 c1ccc2c(c1)Cc3ccccc3N2 TS14824 [1,0,0,1,0,0|1,0,0]=3 111 B16R3.1720 c1ccc2c(c1)Cc3ccccc3O2 TS48276 [1,0,0,1,0,0|2,0,0]=4 112 B16R3.1720 c1ccc2c(c1)Cc3ccccc3S2 TS18669 [1,0,0,1,0,0|2,0,0]=4 113 B16R3.1720 c1ccc2c(c1)Cc3ccccc3[Te]2 TS58428 [1,0,0,1,0,0|2,0,0]=4 114 B16R3.1720 c1ccc2c(c1)Cc3cccnc3O2 TS48431 [1,0,0,1,0,0|1,0,0]=3 115 B16R3.1720 c1ccc2c(c1)Nc3ccccc3O2 TS59809 [1,0,0,1,0,0|2,0,0]=4 116 B16R3.1720 c1ccc2c(c1)Nc3ccccc3S2 TS59808 [1,0,0,1,0,0|2,0,0]=4 117 B16R3.3329 c1ccc-2c(c1)Cc3c2cccc3N TS14818 [1,0,0,1,0,0|1,0,0]=3 118 B16R3.3329 c1ccc-2c(c1)Cc3c2cccc3O TS48271 [1,0,0,1,0,0|2,0,0]=4 119 B16R3.3329 c1ccc2c(c1)c3cccc(c3[nH]2)N TS93470 [1,0,0,1,0,0|2,0,0]=4 120 B16R3.3329 c1ccc2c(c1)c3cccc(c3o2)N TS93841 [1,0,0,1,0,0|2,0,0]=4 121 B16R3.2583 Cc1ccc2c(c1)c3ccccc3[nH]2 TS14820 [0,0,0,1,1,0|2,0,0]=4 122 B16R3.2583 Cc1ccc2c(c1)c3cccnc3[nH]2 TS93061 [0,0,0,1,1,0|1,0,0]=3 123 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)Br TS09475 [0,0,0,1,1,0|1,1,0]=4 124 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)I TS93420 [0,0,0,1,1,0|1,1,0]=4 125 B16R3.2583 c1ccc2c(c1)c3cc(ccc3s2)F TS19398 [0,0,0,1,1,0|2,0,0]=4 126 B14R2.21 Cc1cccc(c1)c2ccccc2 TS85088 [1,0,0,0,1,0|2,0,0]=4 127 B14R2.21 c1cc(cc(c1)F)c2cncnc2 TS13464 [1,0,0,0,1,0|1,0,0]=3 128 B14R2.21 c1cc(cc(c1)N)c2cccnc2 TS39295 [1,0,0,0,1,0|1,0,0]=3 129 B14R2.21 c1cc(cc(c1)N)c2cncnc2 TS45314 [1,0,0,0,1,0|2,0,0]=4 130 B14R2.21 c1ccc(cc1)c2cccc(c2)Br TS39709 [1,0,0,0,1,0|1,1,0]=4 131 B14R2.21 c1ccc(cc1)c2cccc(c2)Cl TS50839 [1,0,0,0,1,0|1,1,0]=4 132 B14R2.21 c1ccc(cc1)c2cccc(c2)I TS93517 [1,0,0,0,1,0|1,1,0]=4 133 B14R2.21 c1ccc(cc1)c2cccc(c2)N TS20077 [1,0,0,0,1,0|2,0,0]=4 134 B14R2.21 c1ccc(cc1)c2cccc(c2)N TS65878 [1,0,0,0,1,0|2,0,0]=4 135 B14R2.21 c1ccc(cc1)c2cccc(c2)O TS12817 [1,0,0,0,1,0|2,0,0]=4 136 B14R2.21 c1ccc(cc1)c2cccc(n2)F TS07720 [1,0,0,0,1,0|2,0,0]=4 137 B14R2.21 c1ccc(cc1)c2ccnc(c2)F TS45606 [1,0,0,0,1,0|2,0,0]=4 138 B14R2.21 c1ccnc(c1)c2cccc(c2)F TS45605 [1,0,0,0,1,0|2,0,0]=4 139 B14R2.716 c1cc(cc(c1)N)Cn2cccn2 TS45659 [1,0,0,0,1,0|2,0,0]=4 140 B14R2.716 c1cc(cc(c1)N)Cn2ccnc2 TS45660 [1,0,0,0,1,0|2,0,0]=4 141 B14R2.24 Cc1c(cccn1)c2ccccc2 TS12700 [1,0,0,0,1,0|1,0,0]=3 142 B14R2.24 Cc1ccccc1c2ccccc2 TS12568 [1,0,0,0,1,0|2,0,0]=4 143 B14R2.24 c1ccc(c(c1)c2ccccn2)N TS45148 [1,0,0,0,1,0|2,0,0]=4 144 B14R2.24 c1ccc(c(c1)c2cccnc2)N TS45141 [1,0,0,0,1,0|2,0,0]=4 145 B14R2.24 c1ccc(c(c1)c2ccncc2)N TS45139 [1,0,0,0,1,0|2,0,0]=4 146 B14R2.24 c1ccc(cc1)c2c(cccn2)N TS02639 [1,0,0,0,1,0|2,0,0]=4 147 B14R2.24 c1ccc(cc1)c2c(cccn2)N TS20292 [1,0,0,0,1,0|2,0,0]=4 148 B14R2.24 c1ccc(cc1)c2ccccc2Br TS25349 [1,0,0,0,1,0|2,0,0]=4 149 B14R2.24 c1ccc(cc1)c2ccccc2Cl TS50840 [1,0,0,0,1,0|2,0,0]=4 150 B14R2.24 c1ccc(cc1)c2ccccc2F TS45451 [1,0,0,0,1,0|2,0,0]=4 151 B14R2.24 c1ccc(cc1)c2ccccc2I TS34167 [1,0,0,0,1,0|2,0,0]=4 152 B14R2.24 c1ccc(cc1)c2ccccc2N TS39643 [1,0,0,0,1,0|1,0,0]=3 153 B14R2.24 c1ccc(cc1)c2ccccc2S TS65645 [1,0,0,0,1,0|2,0,0]=4 154 B14R2.24 c1ccc(cc1)c2cccnc2Br TS56416 [1,0,0,0,1,0|1,0,0]=3 155 B14R2.24 c1ccc(cc1)c2cccnc2Cl TS16266 [1,0,0,0,1,0|1,0,0]=3 156 B14R2.24 c1ccc(cc1)c2cccnc2F TS45604 [1,0,0,0,1,0|1,0,0]=3 157 B14R2.24 c1ccc(cc1)c2cccnc2N TS02877 [1,0,0,0,1,0|0,0,0]=2 158 B14R2.24 c1ccc(cc1)c2cccnc2O TS45308 [1,0,0,0,1,0|1,0,0]=3 159 B16R2.71 c1ccc(cc1)COc2c(cccn2)N TS37921 [1,0,0,0,0,1|2,0,0]=4 160 B16R2.71 c1ccc(cc1)COc2ccccc2O TS19007 [1,0,0,0,0,1|2,0,0]=4 161 B16R2.71 c1ccc(cc1)COc2cccnc2N TS37927 [1,0,0,0,0,1|0,0,0]=2 162 B16R2.71 c1ccc(cc1)CSc2ccccc2N TS21901 [1,0,0,0,0,1|1,0,0]=3