0 B12R1.367 CC(CN)C1=CC(=C(C=C1)Cl)Cl Z4937190097 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)Cl Z4937045907 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.367 CC(CN)C1=CC(=C(C=C1)F)F Z415655058 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.367 CC1=C(C=C(C=C1)C(=O)CN)Br Z3689015562 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)F Z1255468561 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)N Z2177031047 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.367 CCC(C)C1=CC(=C(C=C1)O)N Z57441610 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.367 CCC(N)C1=CC(=C(C=C1)Br)F Z5368653956 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.367 CCC(O)C1=CC(=C(C=C1)Cl)Cl Z235447502 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.367 CC[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z1483951050 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.367 CC[C@H](O)C1=CC(=C(C=C1)C)F Z1255444475 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.367 NC(CO)C1=CC(=C(C=C1)Br)F Z2205958451 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.367 NC(CO)C1=CC(=C(C=C1)F)Cl Z3398351125 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.367 NCC(=O)C1=CC(=C(C=C1)Br)F Z2719320982 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.367 NCC(=O)C1=CC(=C(C=C1)Cl)Cl Z1269180328 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.367 NCC(O)C1=CC(=C(C=C1)F)F Z330910382 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)O Z56912624 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.367 OCC(O)C1=CC(=C(C=C1)Cl)F Z1537124099 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)O Z1198169413 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)O Z1201626572 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.21 CC(=O)C1=CC(=C(C=C1)N)O Z1198158301 [1,0,0,0,0,0|1,0,2]=4 21 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Br Z1037557930 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)C Z57221419 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl Z57905816 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F Z385458772 [1,0,0,0,0,0|1,0,2]=4 25 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)N Z1664347745 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.21 CC(Br)C1=CC(=C(C=C1)Cl)Cl Z381392948 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.21 CC(Br)C1=CC(=C(C=C1)F)Cl Z381393046 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.21 CC(C)C1=CC(=C(C=C1)F)N Z4722235861 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Cl Z1262643307 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N Z1198154332 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.21 CC(C)C1=CC(=C(C=C1)O)N Z57441596 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)F Z3213740225 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.21 CC(N)C1=CC(=C(C=C1)Br)O Z1551939587 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)Cl Z56347253 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.21 CC(N)C1=CC(=C(C=C1)Cl)F Z1198724032 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.21 CC(N)C1=CC(=C(C=C1)F)Cl Z335437988 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.21 CC(N)C1=CC(=C(C=C1)O)O Z4958589100 [1,0,0,0,0,0|1,0,0]=2 38 B11R1.21 CC(O)C1=CC(=C(C=C1)Br)F Z1436188584 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.21 CC(O)C1=CC(=C(C=C1)Cl)Cl Z335245002 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.21 CC(O)C1=CC(=C(C=C1)F)Cl Z335438560 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.21 CC(O)C1=CC(=C(C=C1)F)F Z228586306 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)O Z323032498 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O Z166652050 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.21 CC1=C(C=C(C=C1)C(C)C)O Z104496566 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.21 CC1=C(C=C(C=C1)C(C)N)C Z285186052 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.21 CC1=C(C=C(C=C1)C(C)N)F Z363990474 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.21 CC1=C(C=C(C=C1)[C@@H](C)O)C Z360055396 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.21 CC1=C(C=C(C=C1)[C@H](C)O)C Z360055400 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O Z995149794 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.21 CC1=C(C=CC(=C1)C(C)N)F Z1359429587 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.21 CC1=C(C=CC(=C1)N(C)C)O Z4988450441 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Br Z1696091701 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.21 C[C@@H](N)C1=CC(=C(C=C1)F)Cl Z1127664214 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055342 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)Cl Z1127664454 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.21 C[C@@H](O)C1=CC(=C(C=C1)F)F Z360055916 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)Cl)Cl Z1962166972 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.21 C[C@H](N)C1=CC(=C(C=C1)F)Br Z360056272 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)Cl)Cl Z360055344 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Br Z360056260 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)Cl Z1127664340 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.21 C[C@H](O)C1=CC(=C(C=C1)F)F Z360055912 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.21 NC(=O)C1=CC(=C(C=C1)Br)O Z1269119521 [1,0,0,0,0,0|1,0,2]=4 64 B11R1.21 NC(=O)C1=CC(=C(C=C1)N)O Z1126161217 [1,0,0,0,0,0|1,0,2]=4 65 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)Cl Z68591301 [1,0,0,0,0,0|1,0,2]=4 66 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)F Z1255448698 [1,0,0,0,0,0|1,0,2]=4 67 B11R1.21 NC(=O)C1=CC(=C(C=C1)O)O Z1198152898 [1,0,0,0,0,0|0,0,2]=3 68 B11R1.21 NC1=C(C=C(C=C1)C(=O)O)O Z431554234 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.21 O=C(O)C1=CC(=C(C=C1)Br)O Z1269234103 [1,0,0,0,0,0|2,0,1]=4 70 B11R1.21 O=C(O)C1=CC(=C(C=C1)Cl)O Z1201619372 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.21 O=C(O)C1=CC(=C(C=C1)F)O Z1203161962 [1,0,0,0,0,0|2,0,1]=4 72 B11R1.21 O=C(O)C1=CC(=C(C=C1)I)O Z1269202149 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Br Z57985393 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)Cl Z104503564 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)F Z57073754 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.21 O=C(O)C1=CC(=C(C=C1)O)O Z104501142 [1,0,0,0,0,0|1,0,1]=3 77 B11R1.21 O=[N+]([O-])C1=CC(=C(C=C1)O)O Z1255450010 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.22 CC(CN)C1=CC=C(C=C1)Br Z2906280360 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.22 CC(CN)C1=CC=C(C=C1)F Z415654954 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.22 CC(CO)C1=CC=C(C=C1)F Z1255440783 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [1,0,0,0,0,0|1,0,2]=4 82 B11R1.22 CC1=CC=C(C=C1)C(C)CN Z415654970 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.22 CC1=CC=C(C=C1)C(N)CF Z2474474695 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.22 CC1=CC=C(C=C1)C(N)CO Z5087131901 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.22 CC1=CC=C(C=C1)C(O)CN Z336086536 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.22 CC1=CC=C(C=C1)[C@@H](O)CN Z1895741843 [1,0,0,0,0,0|1,0,0]=2 87 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [1,0,0,0,0,0|1,0,2]=4 88 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 CCC(N)C1=CC=C(C=C1)Br Z90662172 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.22 CCC(N)C1=CC=C(C=C1)C Z90662186 [1,0,0,0,0,0|3,0,0]=4 91 B11R1.22 CCC(N)C1=CC=C(C=C1)Cl Z221421644 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.22 CCC(O)C1=CC=C(C=C1)C Z228586316 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl Z228586168 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.22 CCC(O)C1=CC=C(C=C1)F Z228586174 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [1,0,0,0,0,0|1,0,0]=2 96 B11R1.22 CCC(O)C1=NC=C(C=C1)F Z1341678257 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.22 CC[C@@H](N)C1=CC=C(C=C1)F Z1626921240 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.22 CC[C@H](N)C1=CC=C(C=C1)F Z1625822291 [1,0,0,0,0,0|3,0,0]=4 99 B11R1.22 CNC(C)C1=CC=C(C=C1)O Z316170374 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.22 NC(CF)C1=CC=C(C=C1)Cl Z1510155807 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 NC(CO)C1=CC=C(C=C1)Br Z2188171600 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.22 NC(CO)C1=CC=C(C=C1)F Z1268152327 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [1,0,0,0,0,0|1,0,2]=4 104 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [1,0,0,0,0,0|1,0,2]=4 105 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [1,0,0,0,0,0|1,0,2]=4 106 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [1,0,0,0,0,0|0,0,2]=3 107 B11R1.22 NCC(O)C1=CC=C(C=C1)Cl Z295878600 [1,0,0,0,0,0|1,0,0]=2 108 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [1,0,0,0,0,0|1,0,2]=4 109 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [1,0,0,0,0,0|1,0,2]=4 110 B11R1.23 CC(CN)C1=CC(=CC=C1)Br Z5094147873 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.23 CC(CN)C1=CC(=CC=C1)F Z415654914 [1,0,0,0,0,0|2,0,0]=3 112 B11R1.23 CC(CN)C1=CC=CC(=O)N1 Z4656721256 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.23 CC(CO)C1=CC(=CC=C1)Br Z1269177166 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.23 CC(CO)C1=CC(=CC=C1)Cl Z1222424631 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.23 CC1=CC(=CC=C1)C(=O)CN Z3026469451 [1,0,0,0,0,0|1,0,2]=4 116 B11R1.23 CC1=CC(=CC=C1)C(O)CN Z336086464 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.23 CCC(N)C1=CC(=CC=C1)Cl Z239627026 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.23 CCC(N)C1=CC(=CC=C1)O Z4164634595 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.23 CCC(O)C1=CC(=CC=C1)Br Z228586280 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.23 CCC(O)C1=CC(=CC=C1)Cl Z335245132 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.23 CCC(O)C1=CC(=CC=C1)N Z1262626036 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.23 CNC(C)C1=CC(=CC=C1)O Z1266854844 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.23 NC(CF)C1=CC(=CC=C1)Br Z3210128314 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.23 NC(CF)C1=CC(=CC=C1)Cl Z3445798142 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.23 NC(CF)C1=CC(=CC=C1)F Z3681214901 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.23 NC(CO)C1=CC(=CC=C1)Br Z1438483917 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.23 NC(CO)C1=CC(=CC=C1)Cl Z1695784092 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.23 NC(CO)C1=CC(=CC=C1)F Z1268152384 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.23 NC(CO)C1=CC(=CC=C1)I Z3605387233 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.23 NC(CO)C1=CC(=CC=C1)O Z3247611804 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.23 NC1=CC(=CC=C1)C(O)CO Z970072128 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.23 NCC(=O)C1=CC(=CC=C1)Br Z275368900 [1,0,0,0,0,0|1,0,2]=4 133 B11R1.23 NCC(=O)C1=CC(=CC=C1)Cl Z1741966377 [1,0,0,0,0,0|1,0,2]=4 134 B11R1.23 NCC(=O)C1=CC(=CC=C1)F Z3025863838 [1,0,0,0,0,0|1,0,2]=4 135 B11R1.23 NCC(O)C1=CC(=CC=C1)Cl Z330910384 [1,0,0,0,0,0|1,0,0]=2 136 B11R1.23 NCC(O)C1=CC(=CC=C1)O Z3041501762 [1,0,0,0,0,0|0,0,0]=1 137 B11R1.23 NNC(=O)C1=CC(=CC=C1)O Z56930730 [1,0,0,0,0,0|1,0,2]=4 138 B11R1.192 CC1=C(C=C(C=C1)CCN)C Z2526366647 [1,0,0,0,0,0|2,0,0]=3 139 B11R1.192 CC1=C(C=C(C=C1)CCN)Cl Z4330614334 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.192 CC1=C(C=CC(=C1)CC#N)O Z1255368240 [1,0,0,0,0,0|1,0,2]=4 141 B11R1.192 CC1=C(C=CC(=C1)CCN)Br Z1269233616 [1,0,0,0,0,0|2,0,0]=3 142 B11R1.192 CC1=C(C=CC(=C1)CCN)Cl Z1198178622 [1,0,0,0,0,0|2,0,0]=3 143 B11R1.192 CC1=C(C=CC(=C1)CCN)F Z1682072426 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.192 NCCC1=CC(=C(C=C1)Br)Cl Z5222342336 [1,0,0,0,0,0|2,0,0]=3 145 B11R1.192 NCCC1=CC(=C(C=C1)Cl)Cl Z285143770 [1,0,0,0,0,0|2,0,0]=3 146 B11R1.192 NCCC1=CC(=C(C=C1)Cl)F Z2681241887 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.192 NCCC1=CC(=C(C=C1)F)Br Z752370708 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.192 NCCC1=CC(=C(C=C1)F)Cl Z4607148848 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.192 NCCC1=CC(=C(C=C1)F)F Z1695670002 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.192 NCCC1=CC(=C(C=C1)O)O Z104474032 [1,0,0,0,0,0|0,0,0]=1 151 B11R1.192 OCCC1=CC(=C(C=C1)Br)F Z1450935429 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.192 OCCC1=CC(=C(C=C1)F)F Z1020788674 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.192 OCCC1=CC(=C(C=C1)O)Cl Z1250886915 [1,0,0,0,0,0|2,0,0]=3 154 B13R1.49 CCC(C)C1=CC(=C(C=C1)O)C=O Z1198159909 [0,1,0,0,0,0|2,0,1]=4 155 B13R1.49 COC1=C(C=CC(=C1)C(=O)CN)O Z4654934301 [0,1,0,0,0,0|0,0,2]=3 156 B13R1.49 COC1=C(C=CC(=C1)C(O)CN)O Z2574937385 [0,1,0,0,0,0|0,0,0]=1 157 B13R1.272 CC(C)(CN)C1=CC(=C(C=C1)Cl)Cl Z725146602 [0,1,0,0,0,0|3,0,0]=4 158 B13R1.272 CCC(C)(C)C1=CC(=C(C=C1)O)Cl Z1198147677 [0,1,0,0,0,0|3,0,0]=4 159 B13R1.272 NCC(F)(F)C1=CC(=C(C=C1)Cl)Cl Z3786926754 [0,1,0,0,0,0|3,0,0]=4 160 B13R1.331 COC(CO)C1=CC(=C(C=C1)O)O Z1278927336 [0,1,0,0,0,0|1,0,0]=2 161 B13R1.466 CNCC(O)C1=CC(=C(C=C1)O)C Z1262591397 [0,1,0,0,0,0|1,0,0]=2 162 B13R1.466 CNC[C@@H](O)C1=CC(=C(C=C1)O)O Z1198154207 [0,1,0,0,0,0|0,0,0]=1 163 B13R1.466 CNC[C@H](O)C1=CC(=C(C=C1)O)O Z1255449978 [0,1,0,0,0,0|0,0,0]=1 164 B13R1.466 NCCC(O)C1=CC(=C(C=C1)Cl)Cl Z1258890570 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.510 CC(N)C(O)C1=CC(=C(C=C1)F)F Z1342208384 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.510 CC1=C(C=CC(=C1)C(O)C(C)N)F Z4133752082 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.2678 NCC(N)C1=CC(=C(C(=C1)F)F)F Z1820079345 [0,1,0,0,0,0|3,0,0]=4 168 B13R2.522 CC1=C(C=C(C=C1)C2CC2N)C Z234897043 [0,0,0,1,0,0|3,0,0]=4 169 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)Cl Z2298098026 [0,0,0,1,0,0|3,0,0]=4 170 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)Cl)F Z2298098037 [0,0,0,1,0,0|3,0,0]=4 171 B13R2.522 N[C@@H]1C[C@H]1C2=CC(=C(C=C2)F)F Z2298098006 [0,0,0,1,0,0|3,0,0]=4 172 B13R2.5180 O=C1CCC2=C1C=CC(=C2O)O Z1198731402 [0,0,0,1,0,0|1,0,2]=4 173 B10R1.13 CC(=O)C1=CC=C(C=C1)O Z57040434 [2,0,0,0,0,0|0,0,2]=4 174 B10R1.13 CC(C)C1=CC=C(C=C1)Br Z732229746 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.13 CC(C)C1=CC=C(C=C1)Cl Z1255372793 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.13 CC(C)C1=CC=C(C=C1)N Z104476320 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.13 CC(C)C1=CC=C(C=C1)O Z56347200 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.13 CC(N)C1=CC=C(C=C1)Br Z56347162 [2,0,0,0,0,0|2,0,0]=4 179 B10R1.13 CC(N)C1=CC=C(C=C1)Cl Z56347112 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.13 CC(N)C1=CC=C(C=C1)O Z1741968989 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.13 CC(N)C1=CN=C(C=C1)O Z4423361180 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.13 CC(O)C1=CC=C(C=C1)Br Z335244904 [2,0,0,0,0,0|1,0,0]=3 183 B10R1.13 CC(O)C1=CC=C(C=C1)Cl Z104479788 [2,0,0,0,0,0|1,0,0]=3 184 B10R1.13 CC(O)C1=CC=C(C=C1)F Z56347219 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.13 CC(O)C1=CC=C(C=C1)I Z228586282 [2,0,0,0,0,0|1,0,0]=3 186 B10R1.13 CC(O)C1=NC=C(C=C1)F Z1255406174 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.13 CC1=CC=C(C=C1)C(C)C Z104497772 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O Z1127664396 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O Z1127664278 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.13 CN(C)C1=CC=C(C=C1)O Z137981254 [2,0,0,0,0,0|2,0,0]=4 191 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)Br Z850973968 [2,0,0,0,0,0|1,0,0]=3 192 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)I Z360055808 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.13 C[C@H](N)C1=CC=C(C=C1)Br Z1869802525 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.13 C[C@H](N)C1=CC=C(C=C1)I Z1696091699 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.13 C[C@H](N)C1=CC=C(C=C1)O Z3183546879 [2,0,0,0,0,0|1,0,0]=3 196 B10R1.13 C[C@H](O)C1=CC=C(C=C1)Br Z850973970 [2,0,0,0,0,0|1,0,0]=3 197 B10R1.13 C[C@H](O)C1=CC=C(C=C1)I Z360055806 [2,0,0,0,0,0|1,0,0]=3 198 B10R1.13 N=C(N)C1=CC=C(C=C1)O Z1262398570 [2,0,0,0,0,0|1,0,1]=4 199 B10R1.13 NC(=O)C1=CC=C(C=C1)O Z104502228 [2,0,0,0,0,0|0,0,2]=4 200 B10R1.13 NC(=S)C1=CC=C(C=C1)O Z90124534 [2,0,0,0,0,0|0,1,1]=4 201 B10R1.13 O=C(O)C1=CC=C(C=C1)O Z104498098 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.13 OB(O)C1=CC=C(C=C1)O Z336080006 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.113 CC(C)C1=CC(=CC=C1)O Z104492878 [2,0,0,0,0,0|1,0,0]=3 204 B10R1.113 CC(C)C1=NC=CC(=C1)O Z1255384308 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.113 CC(N)C1=CC(=CC=C1)Br Z239626864 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.113 CC(N)C1=CC(=CC=C1)Cl Z56347061 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.113 CC(N)C1=CC(=CC=C1)F Z56347483 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.113 CC(N)C1=CC(=CC=C1)O Z426041632 [2,0,0,0,0,0|1,0,0]=3 209 B10R1.113 CC(O)C1=CC(=CC=C1)Cl Z335244960 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.113 CC(O)C1=CC(=CC=C1)F Z335245218 [2,0,0,0,0,0|1,0,0]=3 211 B10R1.113 CC(O)C1=CC(=CC=C1)O Z335245176 [2,0,0,0,0,0|0,0,0]=2 212 B10R1.113 CC(O)C1=CC(=CN=C1)F Z823275188 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.113 CC1=CC=CC(=C1)C(C)N Z2284390656 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.113 CC1=CC=CC(=C1)C(C)O Z445987122 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)N Z1626921284 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.113 CC1=CC=CC(=C1)[C@@H](C)O Z1127664487 [2,0,0,0,0,0|1,0,0]=3 217 B10R1.113 CC1=CC=CC(=C1)[C@H](C)N Z1626921239 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.113 CC1=CC=CC(=C1)[C@H](C)O Z1127664373 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Br Z803153182 [2,0,0,0,0,0|1,0,0]=3 220 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)Cl Z360055382 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.113 C[C@@H](O)C1=CC(=CC=C1)O Z959151708 [2,0,0,0,0,0|0,0,0]=2 222 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Br Z803153180 [2,0,0,0,0,0|1,0,0]=3 223 B10R1.113 C[C@H](O)C1=CC(=CC=C1)Cl Z360055386 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.113 C[C@H](O)C1=CC(=CC=C1)O Z959151706 [2,0,0,0,0,0|0,0,0]=2 225 B10R1.113 N=C(N)C1=CC(=CC=C1)O Z1592024758 [2,0,0,0,0,0|1,0,1]=4 226 B10R1.113 NC(=O)C1=CC(=CC=C1)O Z33546460 [2,0,0,0,0,0|0,0,2]=4 227 B10R1.113 O=C(O)C1=CC(=CC=C1)O Z56919254 [2,0,0,0,0,0|1,0,1]=4 228 B10R1.113 OB(O)C1=CC(=CC=C1)O Z336080002 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.176 CC1=C(C=C(C=C1)CN)Cl Z4658099850 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.176 CC1=C(C=C(C=C1)CN)F Z166652084 [2,0,0,0,0,0|2,0,0]=4 231 B10R1.176 CC1=C(C=C(C=C1)CN)N Z5023069916 [2,0,0,0,0,0|2,0,0]=4 232 B10R1.176 CC1=C(C=C(C=C1)CN)O Z3951014909 [2,0,0,0,0,0|1,0,0]=3 233 B10R1.176 CC1=C(C=C(C=C1)CO)Br Z1269190523 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.176 CC1=C(C=C(C=C1)CO)I Z1269159118 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.176 CC1=C(C=C(C=C1)CO)N Z1203578220 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.176 CC1=C(C=CC(=C1)CN)Br Z2293605627 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.176 CC1=C(C=CC(=C1)CN)Cl Z1255503196 [2,0,0,0,0,0|2,0,0]=4 238 B10R1.176 CC1=C(C=CC(=C1)CN)I Z1992316385 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.176 CC1=C(C=CC(=C1)CO)Br Z1269142250 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.176 CC1=C(C=CC(=C1)CO)Cl Z1201623310 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.176 CCC1=CC(=C(C=C1)Br)Cl Z1551924078 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.176 CCC1=CC(=C(C=C1)Br)N Z2753220544 [2,0,0,0,0,0|2,0,0]=4 243 B10R1.176 CCC1=CC(=C(C=C1)N)F Z1255421063 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.176 CCC1=CC(=C(C=C1)N)N Z1198311235 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.176 CCC1=CC(=C(C=C1)O)C Z1255463943 [2,0,0,0,0,0|1,0,0]=3 246 B10R1.176 CCC1=CC(=C(C=C1)O)N Z1318147478 [2,0,0,0,0,0|1,0,0]=3 247 B10R1.176 COC1=CC(=C(C=C1)C)O Z1255384359 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.176 COC1=CC(=C(C=C1)O)C Z1198310476 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.176 COC1=CC(=C(C=C1)O)N Z57727878 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.176 CSC1=CC(=C(C=C1)Br)O Z1269146558 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.176 NC1=C(C=CC(=C1)CO)Br Z1269218344 [2,0,0,0,0,0|2,0,0]=4 252 B10R1.176 NC1=C(C=CC(=C1)CO)Cl Z394691290 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.176 NC1=C(C=CC(=C1)CO)F Z4518011880 [2,0,0,0,0,0|2,0,0]=4 254 B10R1.176 NCC1=CC(=C(C=C1)Br)F Z2327126749 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.176 NCC1=CC(=C(C=C1)Cl)F Z3244773428 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.176 NCC1=CC(=C(C=C1)Cl)N Z1480642430 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.176 NCC1=CC(=C(C=C1)F)Cl Z992424146 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.176 NCC1=CC(=C(C=C1)F)F Z239626576 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.176 NCC1=CC(=C(C=C1)F)O Z2786079401 [2,0,0,0,0,0|1,0,0]=3 260 B10R1.176 NCC1=CC(=C(C=C1)O)Br Z1436472846 [2,0,0,0,0,0|1,0,0]=3 261 B10R1.176 NCC1=CC(=C(C=C1)O)Cl Z2757555437 [2,0,0,0,0,0|1,0,0]=3 262 B10R1.176 NCC1=CC(=C(C=C1)O)F Z1250080941 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.176 NCC1=CC(=C(C=C1)O)O Z1272096628 [2,0,0,0,0,0|0,0,0]=2 264 B10R1.176 NCC1=CC(=C(N=C1)O)F Z5004159399 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.176 O=C1C=C(OC=C1O)CO Z104484860 [2,0,0,0,0,0|1,0,1]=4 266 B10R1.176 O=CC1=CC(=C(C=C1)O)O Z56957508 [2,0,0,0,0,0|0,0,2]=4 267 B10R1.176 OCC1=CC(=C(C=C1)Br)Cl Z1269181450 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.176 OCC1=CC(=C(C=C1)Cl)Br Z1269238306 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.176 OCC1=CC(=C(C=C1)I)Cl Z1269236145 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.176 OCC1=CC(=C(C=C1)I)O Z1269159331 [2,0,0,0,0,0|1,0,0]=3 271 B10R1.176 OCC1=CC(=C(C=C1)O)Cl Z839172284 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.176 OCC1=CC(=C(C=C1)O)F Z385458838 [2,0,0,0,0,0|1,0,0]=3 273 B10R1.176 OCC1=NC=C(C(=C1)O)O Z3003010756 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [2,0,0,0,0,0|1,0,0]=3 275 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [2,0,0,0,0,0|0,0,2]=4 281 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [2,0,0,0,0,0|2,0,0]=4 282 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [2,0,0,0,0,0|1,0,0]=3 283 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [2,0,0,0,0,0|1,0,0]=3 284 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [2,0,0,0,0,0|1,0,0]=3 286 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [2,0,0,0,0,0|0,0,0]=2 287 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [2,0,0,0,0,0|2,0,0]=4 288 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [2,0,0,0,0,0|1,0,0]=3 295 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [2,0,0,0,0,0|1,0,1]=4 296 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [2,0,0,0,0,0|1,0,1]=4 297 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,0,0,0,0,0|1,0,0]=3 301 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [2,0,0,0,0,0|1,0,0]=3 303 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [2,0,0,0,0,0|2,0,0]=4 304 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [2,0,0,0,0,0|0,0,2]=4 305 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [2,0,0,0,0,0|0,0,0]=2 307 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [2,0,0,0,0,0|1,0,0]=3 308 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [2,0,0,0,0,0|1,0,0]=3 309 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [2,0,0,0,0,0|2,0,0]=4 310 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [2,0,0,0,0,0|1,0,0]=3 314 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [2,0,0,0,0,0|0,0,2]=4 319 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [2,0,0,0,0,0|1,0,0]=3 321 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [2,0,0,0,0,0|1,0,0]=3 322 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [2,0,0,0,0,0|1,0,0]=3 323 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [2,0,0,0,0,0|1,0,0]=3 324 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [2,0,0,0,0,0|0,0,0]=2 325 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [2,0,0,0,0,0|1,0,0]=3 326 B10R1.10 NCCC1=CC(=NC=C1)N Z2310698980 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.10 NCCC1=NC=NC(=C1)O Z2310716008 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [2,0,0,0,0,0|2,0,0]=4 329 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [2,0,0,0,0,0|2,0,0]=4 331 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)I)O Z1269154708 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)N)O Z2004548136 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.23 CC(C)(C)C1=CC(=C(C=C1)O)O Z104476062 [1,1,0,0,0,0|1,0,0]=3 334 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)O Z1255365043 [1,1,0,0,0,0|0,0,2]=4 335 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O Z381356676 [1,1,0,0,0,0|1,0,1]=4 336 B12R1.48 COC1=C(C=C(C=C1)C(C)C)O Z1255440315 [1,1,0,0,0,0|1,0,0]=3 337 B12R1.48 COC1=C(C=C(C=C1)C(C)O)Cl Z756121270 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.48 COC1=C(C=C(C=C1)C(C)O)F Z220335558 [1,1,0,0,0,0|1,0,0]=3 339 B12R1.48 COC1=C(C=C(C=C1)[C@@H](C)O)Br Z360056130 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.56 CC(C)C1=CC(=C(C=C1)O)C=O Z336080488 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.56 COC1=C(C=CC(=C1)C(=O)C)O Z57234303 [1,1,0,0,0,0|0,0,2]=4 342 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)O Z381356666 [1,1,0,0,0,0|1,0,1]=4 343 B12R1.56 COC1=C(C=CC(=C1)C(C)C)C Z54854001 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.56 COC1=C(C=CC(=C1)C(C)N)F Z1198747325 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.56 O=C(O)C1=CC(=C(C=C1)O)CO Z1262519174 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.232 CC(=O)C1=C(C=C(C(=C1)O)O)O Z274502124 [1,1,0,0,0,0|0,0,2]=4 347 B12R1.232 CC1=C(C=C(C(=C1)O)O)C(=O)O Z1255427529 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)Cl Z104495034 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O Z1198148655 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O Z57124116 [1,1,0,0,0,0|0,0,2]=4 351 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)O Z1513616099 [1,1,0,0,0,0|0,0,2]=4 352 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O Z1255416032 [1,1,0,0,0,0|0,0,2]=4 353 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)O Z104501122 [1,1,0,0,0,0|1,0,1]=4 354 B12R1.5 CCC(N)C1=CC=C(C=C1)OC Z85929849 [1,1,0,0,0,0|2,0,0]=4 355 B12R1.5 CCC(O)C1=CC=C(C=C1)OC Z228586320 [1,1,0,0,0,0|1,0,0]=3 356 B12R1.5 COC1=CC=C(C=C1)C(N)CO Z1263714101 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.5 NCC(N)C1=CC=C(C=C1)CO Z3475823886 [1,1,0,0,0,0|1,0,0]=3 358 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Br Z415697662 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl Z556092664 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)F Z725146590 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)O Z4309614316 [1,1,0,0,0,0|1,0,0]=3 362 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [1,1,0,0,0,0|1,0,0]=3 364 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CN Z725146612 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O Z104477686 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.12 CC/C(=N/O)/C1=CC=C(C=C1)O Z49568596 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.12 CCC(CN)C1=CC=C(C=C1)Cl Z1198306661 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.12 CNC(CN)C1=CC=C(C=C1)F Z941154056 [1,1,0,0,0,0|2,0,0]=4 371 B12R1.12 COC(CN)C1=CC=C(C=C1)C Z4168346391 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.12 COC(CN)C1=CC=C(C=C1)Cl Z838184210 [1,1,0,0,0,0|1,0,0]=3 373 B12R1.12 COC(CN)C1=CC=C(C=C1)F Z1278866649 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.12 COC(CN)C1=CC=C(C=C1)O Z4639315632 [1,1,0,0,0,0|0,0,0]=2 375 B12R1.12 NCC(CO)C1=CC=C(C=C1)Cl Z2130644164 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.12 NCC(CO)C1=CC=C(C=C1)F Z1269131038 [1,1,0,0,0,0|1,0,0]=3 377 B12R1.12 OCC(CO)C1=CC=C(C=C1)Cl Z1198166557 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.12 OCC(CO)C1=CC=C(C=C1)O Z1513899322 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.20 CC(C)C(O)C1=CC=C(C=C1)Cl Z513748660 [1,1,0,0,0,0|2,0,0]=4 381 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)Br Z336086694 [1,1,0,0,0,0|1,0,0]=3 382 B12R1.20 CC(N)C(O)C1=CC=C(C=C1)F Z336086696 [1,1,0,0,0,0|1,0,0]=3 383 B12R1.1703 CC(CN)C1=C(C=C(C=C1)F)F Z415655056 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.1703 CCC(O)C1=C(C=C(C=C1)Cl)F Z1082848670 [1,1,0,0,0,0|2,0,0]=4 385 B12R1.1703 CCC(O)C1=C(C=C(C=C1)F)F Z756131106 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.1703 NCC(O)C1=C(C=C(C=C1)Cl)Cl Z336086576 [1,1,0,0,0,0|1,0,0]=3 387 B12R1.1703 NCC(O)C1=C(C=C(C=C1)F)F Z330910386 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)Br Z725146618 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)Cl Z725146492 [1,1,0,0,0,0|2,0,0]=4 390 B12R1.10 CC(C)(CN)C1=CC(=CC=C1)F Z725146550 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.10 CC(N)(CO)C1=CC(=CC=C1)O Z2111443115 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.10 CC1=CC(=CC=C1)C(C)(C)CN Z725146606 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.10 NCC(F)(F)C1=CC(=CC=C1)F Z2515207618 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.13 COC(CN)C1=CC(=CC=C1)Cl Z1270462953 [1,1,0,0,0,0|1,0,0]=3 395 B12R1.13 COC(CN)C1=CC(=CC=C1)F Z4182331225 [1,1,0,0,0,0|1,0,0]=3 396 B12R1.13 CSC(CN)C1=CC(=CC=C1)Cl Z838201342 [1,1,0,0,0,0|1,1,0]=4 397 B12R1.13 OCC(CO)C1=CC(=CC=C1)F Z1259339659 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.17 CCNC(C)C1=CC(=CC=C1)O Z3479644552 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [1,1,0,0,0,0|0,0,0]=2 400 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [1,1,0,0,0,0|1,0,1]=4 402 B12R1.24 CCC(O)C1=C(C(=CC=C1)Cl)F Z1245781804 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.24 OCC(O)C1=C(C(=CC=C1)Cl)Cl Z1537123320 [1,1,0,0,0,0|2,0,0]=4 404 B12R1.225 CC(N)C(=O)C1=CC(=CC=C1)O Z3015076235 [1,1,0,0,0,0|0,0,2]=4 405 B12R1.225 CC(N)C(O)C1=CC(=CC=C1)F Z1695740794 [1,1,0,0,0,0|1,0,0]=3 406 B12R1.225 C[C@H](N)[C@H](O)C1=CC(=CC=C1)O Z2050038784 [1,1,0,0,0,0|0,0,0]=2 407 B12R1.358 CC1=CC(=CC(=C1)C(C)CN)C Z5233394619 [1,1,0,0,0,0|2,0,0]=4 408 B12R1.358 CC1=CC(=CC(=C1)C(O)CN)C Z838973992 [1,1,0,0,0,0|1,0,0]=3 409 B12R1.358 NCC(O)C1=CC(=CC(=C1)Cl)Cl Z452431482 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.358 NCC(O)C1=CC(=CC(=C1)F)Cl Z1918018376 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.358 NCC(O)C1=CC(=CC(=C1)F)F Z6095531368 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.435 CCC(O)C1=CC(=CC=C1)OC Z513748112 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.435 COC1=CC(=CC=C1)C(=O)CN Z2242140910 [1,1,0,0,0,0|0,0,2]=4 414 B12R1.435 COC1=CC(=CC=C1)C(N)CO Z385458538 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.435 COC1=CC(=CC=C1)C(O)CO Z1416170023 [1,1,0,0,0,0|1,0,0]=3 416 B12R1.435 N#CC1=CC=CC(=C1)[C@@H](O)CN Z2238129707 [1,1,0,0,0,0|1,0,0]=3 417 B12R1.19 CC(N)CC1=CC(=C(C=C1)F)Br Z285144030 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.19 CC(N)CC1=CC(=C(C=C1)O)O Z1891776857 [1,1,0,0,0,0|0,0,0]=2 419 B12R1.19 CC1=C(C=C(C=C1)CC(C)N)F Z4098107054 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.19 O=C(O)CC1=CC(=C(C=C1)O)O Z1255438427 [1,1,0,0,0,0|1,0,1]=4 421 B12R1.44 CC1=CC(=CC(=C1O)C)CCN Z1809367687 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.44 NCCC1=CC(=C(C(=C1)F)F)F Z1682072427 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.44 OCCC1=CC(=C(C(=C1)Br)O)Br Z1860411848 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.286 C=CCC1=CC(=C(C=C1)O)OC Z56347226 [1,1,0,0,0,0|1,0,1]=4 425 B12R1.286 CC1=C(C=C(C=C1)CCN)C#N Z3614117785 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.286 CCCC1=CC(=C(C=C1)O)CO Z1513840121 [1,1,0,0,0,0|1,0,0]=3 427 B12R1.286 CNCC1=CC(=C(C=C1)O)OC Z425387552 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.286 COC1=C(C=CC(=C1)CCN)C Z1198167712 [1,1,0,0,0,0|1,0,0]=3 429 B12R1.286 COC1=C(C=CC(=C1)CCN)O Z1268152336 [1,1,0,0,0,0|0,0,0]=2 430 B12R1.286 NCCC1=CC(=C(C=C1)O)CO Z1262658266 [1,1,0,0,0,0|0,0,0]=2 431 B12R1.288 CC1=C(C=CC(=C1)CCN)C#N Z3571126634 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.288 CCCC1=CC(=C(C=C1)OC)O Z87001810 [1,1,0,0,0,0|1,0,0]=3 433 B12R1.288 CNCC1=CC(=C(C=C1)OC)O Z57842333 [1,1,0,0,0,0|2,0,0]=4 434 B12R1.288 COC1=C(C=C(C=C1)CCN)Br Z5122698103 [1,1,0,0,0,0|1,0,0]=3 435 B12R1.288 COC1=C(C=C(C=C1)CCN)Cl Z3295464152 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.288 COC1=C(C=C(C=C1)CCN)F Z382820754 [1,1,0,0,0,0|1,0,0]=3 437 B12R1.288 COC1=C(C=C(C=C1)CCO)O Z1198339386 [1,1,0,0,0,0|1,0,0]=3 438 B12R1.385 CC1=C(C=C(C=C1)SCCN)C Z56347318 [1,1,0,0,0,0|2,0,0]=4 439 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [1,1,0,0,0,0|2,0,0]=4 440 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [1,1,0,0,0,0|1,0,0]=3 441 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [1,1,0,0,0,0|2,0,0]=4 442 B12R1.385 NCCOC1=CC(=C(C=C1)Cl)F Z2235790693 [1,1,0,0,0,0|2,0,0]=4 443 B12R1.385 NCCOC1=CC(=C(C=C1)F)F Z1263820280 [1,1,0,0,0,0|2,0,0]=4 444 B12R1.544 CC1=C(C=CC(=C1Cl)Cl)CCN Z4970349053 [1,1,0,0,0,0|2,0,0]=4 445 B14R1.4398 NCC(CO)CC1=CC(=C(C=C1)F)Br Z2237318085 [0,1,0,0,0,1|2,0,0]=4 446 B14R1.1864 CCC(N)C1=CC(=C(C=C1)OC)OC Z228582782 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.1864 COC1=C(C=C(C=C1)C(=O)CN)OC Z3225947271 [0,2,0,0,0,0|0,0,2]=4 448 B14R1.1864 COC1=C(C=C(C=C1)C(O)CN)OC Z1250089989 [0,2,0,0,0,0|0,0,0]=2 449 B14R1.3413 COC1=C(C=CC(=C1)C(F)(F)CN)C Z3925524054 [0,2,0,0,0,0|2,0,0]=4 450 B14R1.685 CN(C)CC(=O)C1=CC(=C(C=C1)O)O Z1492781231 [0,2,0,0,0,0|0,0,2]=4 451 B12R2.291 CC1=C(C=C(C=C1)C2CO2)C Z285186472 [1,0,0,1,0,0|2,0,0]=4 452 B12R2.291 ClC1=C(C=C(C=C1)[C@@H]2CO2)Cl Z1575341659 [1,0,0,1,0,0|2,0,0]=4 453 B12R2.291 ClC1=C(C=C(C=C1)[C@H]2CO2)Cl Z1575341772 [1,0,0,1,0,0|2,0,0]=4 454 B12R2.291 FC1=C(C=C(C=C1)C2CO2)Br Z1020680002 [1,0,0,1,0,0|2,0,0]=4 455 B12R2.291 FC1=C(C=C(C=C1)C2CO2)Cl Z335438012 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.291 FC1=C(C=C(C=C1)C2CO2)F Z278165284 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.291 FC1=C(C=C(C=C1)[C@@H]2CO2)F Z1574937230 [1,0,0,1,0,0|2,0,0]=4 458 B12R2.291 FC1=C(C=C(C=C1)[C@H]2CO2)F Z1574937262 [1,0,0,1,0,0|2,0,0]=4 459 B12R2.291 FC1=C(C=CC(=C1)C2CO2)Br Z1450935318 [1,0,0,1,0,0|2,0,0]=4 460 B12R2.291 FC1=C(C=CC(=C1)C2CO2)Cl Z1020679832 [1,0,0,1,0,0|2,0,0]=4 461 B12R2.291 OC1=C(C=C(C=C1)C2CC2)Cl Z1575344265 [1,0,0,1,0,0|2,0,0]=4 462 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [1,0,0,1,0,0|2,0,0]=4 463 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [1,0,0,1,0,0|2,0,0]=4 464 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [1,0,0,1,0,0|2,0,0]=4 466 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [1,0,0,1,0,0|2,0,0]=4 467 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [1,0,0,1,0,0|2,0,0]=4 468 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [1,0,0,1,0,0|2,0,0]=4 469 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [1,0,0,1,0,0|2,0,0]=4 470 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [1,0,0,1,0,0|2,0,0]=4 471 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [1,0,0,1,0,0|2,0,0]=4 472 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [1,0,0,1,0,0|2,0,0]=4 473 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [1,0,0,1,0,0|2,0,0]=4 474 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [1,0,0,1,0,0|2,0,0]=4 475 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [1,0,0,1,0,0|2,0,0]=4 476 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [1,0,0,1,0,0|2,0,0]=4 477 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [1,0,0,1,0,0|2,0,0]=4 478 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [1,0,0,1,0,0|2,0,0]=4 479 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [1,0,0,1,0,0|2,0,0]=4 480 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [1,0,0,1,0,0|2,0,0]=4 481 B12R2.80 NC1CC1C2=CC(=CC=C2)Br Z1266823142 [1,0,0,1,0,0|2,0,0]=4 482 B12R2.80 N[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2298098009 [1,0,0,1,0,0|2,0,0]=4 483 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [1,0,0,1,0,0|2,0,0]=4 484 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [1,0,0,1,0,0|2,0,0]=4 485 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [1,0,0,1,0,0|2,0,0]=4 486 B12R2.196 NC1CCC2=C(C=CC=C12)O Z317054124 [1,0,0,1,0,0|2,0,0]=4 487 B12R2.196 OC1CCC2=C(C=CC=C12)Cl Z815114596 [1,0,0,1,0,0|2,0,0]=4 488 B12R2.2313 FC1=CC(=CC=C1)C2CNC2 Z1436185316 [1,0,0,1,0,0|2,0,0]=4 489 B12R2.82 CC1=C(C2=C(C=C1)CCC2)O Z1255490620 [1,0,0,1,0,0|2,0,0]=4 490 B12R2.82 CC1=C(C2=C(C=C1)CCN2)Br Z4966512463 [1,0,0,1,0,0|2,0,0]=4 491 B12R2.82 CC1=C(C=CC2=C1NCC2)Br Z1509171355 [1,0,0,1,0,0|2,0,0]=4 492 B12R2.82 FC1=C(C2=C(C=C1)CCN2)F Z2235823250 [1,0,0,1,0,0|2,0,0]=4 493 B12R2.100 CC1=C(C=C2NCCC2=C1)C Z1203734724 [1,0,0,1,0,0|2,0,0]=4 494 B12R2.100 ClC1=C(C=C2CCNC2=C1)Br Z2327128596 [1,0,0,1,0,0|2,0,0]=4 495 B12R2.100 FC1=C(C=C2CCNC2=C1)Br Z5063074443 [1,0,0,1,0,0|2,0,0]=4 496 B12R2.100 FC1=C(C=C2CCNC2=C1)Cl Z5076484958 [1,0,0,1,0,0|2,0,0]=4 497 B12R2.100 OC1=C(C=C2COCC2=C1)O Z3243446774 [1,0,0,1,0,0|2,0,0]=4 498 B14R2.70 OC1=C(C=C(C=C1)C2CCNC2)O Z4870574930 [0,1,0,1,0,0|1,0,0]=3 499 B14R2.28472 CC1NCCC2=C1C=C(C(=C2)O)O Z235344915 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.14 CC1=CC=C(O1)C(O)CN Z363991860 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.14 NCC(O)C1=CC=C(S1)Cl Z838891514 [1,0,0,0,1,0|2,0,0]=4 502 B10R1.149 CN1C=CC=C1C(O)CN Z363990702 [1,0,0,0,1,0|2,0,0]=4 503 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [1,0,0,0,0,1|2,0,0]=4 504 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [1,0,0,0,0,1|2,0,0]=4 505 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [1,0,0,0,0,1|2,0,0]=4 506 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [1,0,0,0,0,1|2,0,0]=4 507 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [1,0,0,0,0,1|2,0,0]=4 508 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [1,0,0,0,0,1|2,0,0]=4 509 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [1,0,0,0,0,1|2,0,0]=4 510 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [1,0,0,0,0,1|2,0,0]=4 511 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [1,0,0,0,0,1|2,0,0]=4 512 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [1,0,0,0,0,1|0,0,2]=4 513 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [1,0,0,0,0,1|1,0,0]=3 514 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [1,0,0,0,0,1|2,0,0]=4 515 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [1,0,0,0,0,1|2,0,0]=4 516 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [1,0,0,0,0,1|2,0,0]=4 517 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [1,0,0,0,0,1|2,0,0]=4 518 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [1,0,0,0,0,1|2,0,0]=4 519 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [1,0,0,0,0,1|2,0,0]=4 520 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [1,0,0,0,0,1|1,0,0]=3 521 B14R1.833 NCC(O)COC1=CC(=C(C=C1)F)F Z431603932 [0,0,0,0,0,2|2,0,0]=4 522 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [3,0,0,0,0,0|1,0,0]=4 523 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [3,0,0,0,0,0|1,0,0]=4 524 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [3,0,0,0,0,0|0,0,0]=3 525 B9R1.1 CNC1=CC=C(C=C1)O Z940713298 [3,0,0,0,0,0|1,0,0]=4 526 B9R1.1 COC1=CC=C(C=C1)O Z104474598 [3,0,0,0,0,0|1,0,0]=4 527 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [3,0,0,0,0,0|1,0,0]=4 528 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [3,0,0,0,0,0|0,0,0]=3 529 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [3,0,0,0,0,0|1,0,0]=4 530 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [3,0,0,0,0,0|1,0,0]=4 531 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [3,0,0,0,0,0|1,0,0]=4 532 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [3,0,0,0,0,0|1,0,0]=4 533 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [3,0,0,0,0,0|1,0,0]=4 534 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [3,0,0,0,0,0|1,0,0]=4 535 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [3,0,0,0,0,0|1,0,0]=4 536 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [3,0,0,0,0,0|1,0,0]=4 537 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [3,0,0,0,0,0|0,0,0]=3 538 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [3,0,0,0,0,0|1,0,0]=4 539 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [3,0,0,0,0,0|1,0,0]=4 540 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [3,0,0,0,0,0|1,0,0]=4 541 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [3,0,0,0,0,0|1,0,0]=4 542 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [3,0,0,0,0,0|0,0,0]=3 543 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [3,0,0,0,0,0|1,0,0]=4 544 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [3,0,0,0,0,0|0,0,0]=3 545 B9R1.2 CCC1=CC(=CC=C1)Br Z1201619408 [3,0,0,0,0,0|1,0,0]=4 546 B9R1.2 CCC1=CC(=CC=C1)N Z104478688 [3,0,0,0,0,0|1,0,0]=4 547 B9R1.2 CC[N+]1=CC(=CC=C1)O Z2168499555 [3,0,0,0,0,0|1,0,0]=4 548 B9R1.2 CNC1=CC(=CC=C1)O Z1082872246 [3,0,0,0,0,0|1,0,0]=4 549 B9R1.2 COC1=CC(=CC=C1)O Z104478798 [3,0,0,0,0,0|1,0,0]=4 550 B9R1.2 NCC1=CC(=CC=C1)Br Z1262246228 [3,0,0,0,0,0|1,0,0]=4 551 B9R1.2 NCC1=CC(=CC=C1)I Z1269220799 [3,0,0,0,0,0|1,0,0]=4 552 B9R1.2 NCC1=CC(=CC=C1)O Z744729056 [3,0,0,0,0,0|0,0,0]=3 553 B9R1.2 NCC1=CC(=CN=C1)O Z2310701794 [3,0,0,0,0,0|1,0,0]=4 554 B9R1.2 OC1=CC(=CC=C1)CCl Z1198169502 [3,0,0,0,0,0|1,0,0]=4 555 B9R1.2 OCC1=CC(=CC=C1)Br Z335244752 [3,0,0,0,0,0|1,0,0]=4 556 B9R1.2 OCC1=CC(=CC=C1)Cl Z212055560 [3,0,0,0,0,0|1,0,0]=4 557 B9R1.2 OCC1=CC(=CC=C1)F Z104477458 [3,0,0,0,0,0|1,0,0]=4 558 B9R1.2 OCC1=CC(=CC=C1)O Z335245000 [3,0,0,0,0,0|0,0,0]=3 559 B9R1.2 OCC1=NC(=CC=C1)O Z1198343459 [3,0,0,0,0,0|1,0,0]=4 560 B9R1.69 CC1=C(C=C(C=C1)N)O Z944939438 [3,0,0,0,0,0|1,0,0]=4 561 B9R1.69 CC1=CC(=C(C=C1)Br)O Z1198311230 [3,0,0,0,0,0|1,0,0]=4 562 B9R1.69 CC1=CC(=C(C=C1)C)O Z104477216 [3,0,0,0,0,0|1,0,0]=4 563 B9R1.69 CC1=CC(=C(C=C1)F)O Z384970734 [3,0,0,0,0,0|1,0,0]=4 564 B9R1.69 CC1=CC(=C(C=C1)I)O Z1269144056 [3,0,0,0,0,0|1,0,0]=4 565 B9R1.69 CC1=CC(=C(C=C1)O)Cl Z384970658 [3,0,0,0,0,0|1,0,0]=4 566 B9R1.69 CC1=CC(=C(C=C1)O)I Z1269177064 [3,0,0,0,0,0|1,0,0]=4 567 B9R1.69 CC1=CC(=C(C=C1)O)N Z394651082 [3,0,0,0,0,0|1,0,0]=4 568 B9R1.69 CC1=CC(=C(C=C1)O)O Z104490128 [3,0,0,0,0,0|0,0,0]=3 569 B9R1.69 NC1=C(C=C(C=C1)O)O Z1741980625 [3,0,0,0,0,0|1,0,0]=4 570 B9R1.69 NC1=CC(=C(C=C1)Br)O Z1198266787 [3,0,0,0,0,0|1,0,0]=4 571 B9R1.69 NC1=CC(=C(C=C1)F)O Z1201626992 [3,0,0,0,0,0|1,0,0]=4 572 B9R1.69 NC1=CC(=C(C=C1)O)Cl Z385458136 [3,0,0,0,0,0|1,0,0]=4 573 B9R1.69 NC1=CC(=C(C=C1)O)N Z104474202 [3,0,0,0,0,0|1,0,0]=4 574 B9R1.69 OC1=C(C=C(C=C1)F)O Z1201620941 [3,0,0,0,0,0|1,0,0]=4 575 B9R1.69 OC1=CC(=C(C=C1)O)O Z1255438414 [3,0,0,0,0,0|0,0,0]=3 576 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [3,0,0,0,0,0|1,0,0]=4 577 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [3,0,0,0,0,0|1,0,0]=4 578 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [3,0,0,0,0,0|1,0,0]=4 579 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [3,0,0,0,0,0|1,0,0]=4 580 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [3,0,0,0,0,0|1,0,0]=4 581 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [3,0,0,0,0,0|1,0,0]=4 582 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [3,0,0,0,0,0|1,0,0]=4 583 B11R1.3 CC(C)C1=CC=C(C=C1)CO Z56347221 [2,1,0,0,0,0|1,0,0]=4 584 B11R1.3 CC(O)C1=CC=C(C=C1)C#N Z335245074 [2,1,0,0,0,0|1,0,0]=4 585 B11R1.3 COC1=CC=C(C=C1)C(C)O Z335245134 [2,1,0,0,0,0|0,0,0]=3 586 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O Z360055358 [2,1,0,0,0,0|0,0,0]=3 587 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O Z360055354 [2,1,0,0,0,0|0,0,0]=3 588 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O Z57127886 [2,1,0,0,0,0|1,0,0]=4 589 B11R1.19 CC(C)(O)C1=CC=C(C=C1)Br Z449374220 [2,1,0,0,0,0|1,0,0]=4 590 B11R1.19 CC(C)(O)C1=CC=C(C=C1)O Z1198750150 [2,1,0,0,0,0|0,0,0]=3 591 B11R1.166 CC(O)C1=C(C=C(C=C1)Br)F Z1171210737 [2,1,0,0,0,0|1,0,0]=4 592 B11R1.166 CC(O)C1=C(C=C(C=C1)Cl)Cl Z335245158 [2,1,0,0,0,0|1,0,0]=4 593 B11R1.166 CC(O)C1=C(C=C(C=C1)F)F Z228586308 [2,1,0,0,0,0|1,0,0]=4 594 B11R1.166 CC1=C(C=CC(=C1)O)C(C)C Z104476618 [2,1,0,0,0,0|1,0,0]=4 595 B11R1.166 CC1=CC(=C(C=C1)[C@@H](C)O)C Z360055782 [2,1,0,0,0,0|1,0,0]=4 596 B11R1.166 CC1=CC(=C(C=C1)[C@H](C)O)C Z360055778 [2,1,0,0,0,0|1,0,0]=4 597 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)Cl Z360056250 [2,1,0,0,0,0|1,0,0]=4 598 B11R1.166 C[C@@H](O)C1=C(C=C(C=C1)F)F Z360055930 [2,1,0,0,0,0|1,0,0]=4 599 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)Cl Z360056244 [2,1,0,0,0,0|1,0,0]=4 600 B11R1.166 C[C@H](O)C1=C(C=C(C=C1)F)F Z360055924 [2,1,0,0,0,0|1,0,0]=4 601 B11R1.74 CC(O)C1=CC(=CC(=C1)F)F Z838968736 [2,1,0,0,0,0|1,0,0]=4 602 B11R1.74 CC1=CC(=CC(=C1)O)C(C)C Z104479096 [2,1,0,0,0,0|1,0,0]=4 603 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Cl Z449374152 [2,1,0,0,0,0|1,0,0]=4 604 B11R1.155 CC(C)(O)C1=CC(=CC=C1)N Z1262641436 [2,1,0,0,0,0|1,0,0]=4 605 B11R1.167 CC(N)C1=C(C=CC(=C1)O)O Z4607148493 [2,1,0,0,0,0|1,0,0]=4 606 B11R1.167 CC(O)C1=C(C=CC(=C1)Br)N Z1509409907 [2,1,0,0,0,0|1,0,0]=4 607 B11R1.167 CC(O)C1=C(C=CC(=C1)Cl)Cl Z335244918 [2,1,0,0,0,0|1,0,0]=4 608 B11R1.167 CC(O)C1=C(C=CC(=C1)F)F Z228586372 [2,1,0,0,0,0|1,0,0]=4 609 B11R1.167 CC(O)C1=C(C=CC(=C1)I)Br Z1947410581 [2,1,0,0,0,0|1,0,0]=4 610 B11R1.167 CC1=CC(=C(C=C1)C)[C@@H](C)O Z360055836 [2,1,0,0,0,0|1,0,0]=4 611 B11R1.167 CC1=CC(=C(C=C1)C)[C@H](C)O Z360055834 [2,1,0,0,0,0|1,0,0]=4 612 B11R1.167 C[C@@H](O)C1=C(C=CC(=C1)Cl)Cl Z360055424 [2,1,0,0,0,0|1,0,0]=4 613 B11R1.167 C[C@@H](O)C1=C(C=CC(=C1)Cl)F Z1245781311 [2,1,0,0,0,0|1,0,0]=4 614 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)Cl)Cl Z360055428 [2,1,0,0,0,0|1,0,0]=4 615 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)Cl)F Z1245781230 [2,1,0,0,0,0|1,0,0]=4 616 B11R1.167 C[C@H](O)C1=C(C=CC(=C1)F)F Z360056062 [2,1,0,0,0,0|1,0,0]=4 617 B11R1.266 CC(O)C1=CC(=CC=C1)C#N Z445987342 [2,1,0,0,0,0|1,0,0]=4 618 B11R1.266 COC1=CC(=CC=C1)C(C)O Z228586154 [2,1,0,0,0,0|0,0,0]=3 619 B11R1.266 COC1=CC(=CC=C1)[C@@H](C)O Z360055364 [2,1,0,0,0,0|0,0,0]=3 620 B11R1.266 COC1=CC(=CC=C1)[C@H](C)O Z360055368 [2,1,0,0,0,0|0,0,0]=3 621 B11R1.266 COC1=NC(=CC=C1)C(C)O Z1216820543 [2,1,0,0,0,0|1,0,0]=4 622 B11R1.266 C[C@@H](O)C1=CC(=CC=C1)C#N Z1127664498 [2,1,0,0,0,0|1,0,0]=4 623 B11R1.266 C[C@@H](O)C1=CC(=CC=C1)C=O Z1511906513 [2,1,0,0,0,0|0,0,1]=4 624 B11R1.266 C[C@H](O)C1=CC(=CC=C1)C#N Z1127664384 [2,1,0,0,0,0|1,0,0]=4 625 B11R1.14 CC1=CC(=CC(=C1O)C)CN Z361430038 [2,1,0,0,0,0|1,0,0]=4 626 B11R1.14 CC1=CC(=CC(=C1O)C)CO Z57204892 [2,1,0,0,0,0|1,0,0]=4 627 B11R1.14 CCC1=CC(=C(C(=C1)C)O)C Z1513805646 [2,1,0,0,0,0|1,0,0]=4 628 B11R1.14 NCC1=CC(=C(C(=C1)F)O)F Z2738500675 [2,1,0,0,0,0|1,0,0]=4 629 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)Br Z1269196015 [2,1,0,0,0,0|1,0,0]=4 630 B11R1.14 OCC1=CC(=C(C(=C1)F)O)F Z1198170710 [2,1,0,0,0,0|1,0,0]=4 631 B11R1.278 NCC1=C(C(=C(C=C1)O)O)O Z4780998599 [2,1,0,0,0,0|0,0,0]=3 632 B11R1.279 CCC1=CC(=C(C=C1)OC)N Z1209420082 [2,1,0,0,0,0|1,0,0]=4 633 B11R1.279 COC1=C(C=C(C=C1)CN)C Z446021090 [2,1,0,0,0,0|1,0,0]=4 634 B11R1.279 COC1=C(C=C(C=C1)CN)Cl Z815287230 [2,1,0,0,0,0|1,0,0]=4 635 B11R1.279 COC1=C(C=C(C=C1)CN)F Z355423270 [2,1,0,0,0,0|1,0,0]=4 636 B11R1.279 COC1=C(C=C(C=C1)CN)O Z415728036 [2,1,0,0,0,0|0,0,0]=3 637 B11R1.279 COC1=C(C=C(C=C1)CO)Cl Z385370262 [2,1,0,0,0,0|1,0,0]=4 638 B11R1.280 CCC1=CC(=C(C=C1)O)C=O Z979493236 [2,1,0,0,0,0|0,0,1]=4 639 B11R1.280 CCC1=CC(=C(C=C1)O)OC Z57234301 [2,1,0,0,0,0|0,0,0]=3 640 B11R1.280 COC1=C(C=CC(=C1)CN)C Z812517018 [2,1,0,0,0,0|1,0,0]=4 641 B11R1.280 COC1=C(C=CC(=C1)CN)F Z3235016255 [2,1,0,0,0,0|1,0,0]=4 642 B11R1.280 COC1=C(C=CC(=C1)CN)N Z3223855819 [2,1,0,0,0,0|1,0,0]=4 643 B11R1.280 COC1=C(C=CC(=C1)CN)O Z381785798 [2,1,0,0,0,0|0,0,0]=3 644 B11R1.280 COC1=C(C=CC(=C1)CO)C Z397587200 [2,1,0,0,0,0|1,0,0]=4 645 B11R1.280 COC1=C(C=CC(=C1)CO)Cl Z1255366940 [2,1,0,0,0,0|1,0,0]=4 646 B11R1.280 COC1=C(C=CC(=C1)CO)F Z1201620066 [2,1,0,0,0,0|1,0,0]=4 647 B11R1.280 COC1=C(C=CC(=C1)CO)O Z56347244 [2,1,0,0,0,0|0,0,0]=3 648 B11R1.280 NCC1=CC(=C(C=C1)F)CO Z1820078681 [2,1,0,0,0,0|1,0,0]=4 649 B11R1.280 O=CC1=C(C=CC(=C1)CO)O Z1198153315 [2,1,0,0,0,0|0,0,1]=4 650 B11R1.280 OCC1=CC(=C(C=C1)Br)CO Z1269125855 [2,1,0,0,0,0|1,0,0]=4 651 B11R1.280 OCC1=CC(=C(C=C1)F)CO Z2235409327 [2,1,0,0,0,0|1,0,0]=4 652 B11R1.280 OCC1=CC(=C(C=C1)O)CO Z1198151167 [2,1,0,0,0,0|0,0,0]=3 653 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [2,1,0,0,0,0|1,0,0]=4 654 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [2,1,0,0,0,0|1,0,0]=4 655 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [2,1,0,0,0,0|1,0,0]=4 656 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [2,1,0,0,0,0|1,0,0]=4 657 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [2,1,0,0,0,0|1,0,0]=4 658 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [2,1,0,0,0,0|1,0,0]=4 659 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [2,1,0,0,0,0|1,0,0]=4 660 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [2,1,0,0,0,0|1,0,0]=4 661 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [2,1,0,0,0,0|1,0,0]=4 662 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [2,1,0,0,0,0|1,0,0]=4 663 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [2,1,0,0,0,0|1,0,0]=4 664 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [2,1,0,0,0,0|0,0,0]=3 665 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [2,1,0,0,0,0|0,0,0]=3 666 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [2,1,0,0,0,0|1,0,0]=4 667 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [2,1,0,0,0,0|1,0,0]=4 668 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [2,1,0,0,0,0|1,0,0]=4 669 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [2,1,0,0,0,0|1,0,0]=4 670 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [2,1,0,0,0,0|1,0,0]=4 671 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [2,1,0,0,0,0|1,0,0]=4 672 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [2,1,0,0,0,0|1,0,0]=4 673 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [2,1,0,0,0,0|1,0,0]=4 674 B11R1.20 CC(N)CC1=CC=C(C=C1)O Z57102382 [2,1,0,0,0,0|0,0,0]=3 675 B11R1.81 CC1=C(C=CC(=C1)F)CCN Z959351734 [2,1,0,0,0,0|1,0,0]=4 676 B11R1.81 CC1=CC(=C(C=C1)CCN)Br Z4658970056 [2,1,0,0,0,0|1,0,0]=4 677 B11R1.81 CC1=CC(=C(C=C1)CCN)C Z285143724 [2,1,0,0,0,0|1,0,0]=4 678 B11R1.81 CC1=CC(=C(C=C1)CCN)Cl Z5010254329 [2,1,0,0,0,0|1,0,0]=4 679 B11R1.81 NCCC1=C(C=C(C=C1)Br)Cl Z4668045321 [2,1,0,0,0,0|1,0,0]=4 680 B11R1.81 NCCC1=C(C=C(C=C1)Br)F Z405046450 [2,1,0,0,0,0|1,0,0]=4 681 B11R1.81 NCCC1=C(C=C(C=C1)Cl)Br Z2941505410 [2,1,0,0,0,0|1,0,0]=4 682 B11R1.81 NCCC1=C(C=C(C=C1)F)Cl Z1267881686 [2,1,0,0,0,0|1,0,0]=4 683 B11R1.81 NCCC1=C(C=C(C=C1)F)F Z285143768 [2,1,0,0,0,0|1,0,0]=4 684 B11R1.81 NCCC1=C(C=C(C=C1)O)O Z1166113553 [2,1,0,0,0,0|0,0,0]=3 685 B11R1.81 OCCC1=C(C=C(C=C1)O)O Z1513827466 [2,1,0,0,0,0|1,0,0]=4 686 B11R1.83 C#CC1=CC=C(C=C1)CCN Z4634952920 [2,1,0,0,0,0|1,0,0]=4 687 B11R1.83 CCC1=CC=C(C=C1)CCN Z285143808 [2,1,0,0,0,0|1,0,0]=4 688 B11R1.83 COC1=CC=C(C=C1)CCN Z104476454 [2,1,0,0,0,0|0,0,0]=3 689 B11R1.83 N#CC1=CC=C(C=C1)CCN Z1741971794 [2,1,0,0,0,0|1,0,0]=4 690 B11R1.83 NCCC1=CC=C(C=C1)CO Z3243654196 [2,1,0,0,0,0|0,0,0]=3 691 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [2,1,0,0,0,0|1,0,0]=4 692 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [2,1,0,0,0,0|1,0,0]=4 693 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [2,1,0,0,0,0|0,0,0]=3 694 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [2,1,0,0,0,0|1,0,0]=4 695 B11R1.7 NCC(F)(F)C1=CC=CC=C1 Z2168499583 [2,1,0,0,0,0|1,0,0]=4 696 B11R1.12 CCC(CN)C1=CC=CC=C1 Z85956799 [2,1,0,0,0,0|1,0,0]=4 697 B11R1.12 CCC(CO)C1=CC=CC=C1 Z397587442 [2,1,0,0,0,0|1,0,0]=4 698 B11R1.12 COC(CN)C1=CC=CC=C1 Z285139084 [2,1,0,0,0,0|0,0,0]=3 699 B11R1.12 NCC(CO)C1=CC=CC=C1 Z1198168251 [2,1,0,0,0,0|0,0,0]=3 700 B11R1.12 OCC(CO)C1=CC=CC=C1 Z1255395467 [2,1,0,0,0,0|1,0,0]=4 701 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [2,1,0,0,0,0|1,0,0]=4 702 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [2,1,0,0,0,0|1,0,0]=4 703 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [2,1,0,0,0,0|1,0,0]=4 704 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [2,1,0,0,0,0|0,0,0]=3 705 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [2,1,0,0,0,0|1,0,0]=4 706 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [2,1,0,0,0,0|1,0,0]=4 707 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [2,1,0,0,0,0|1,0,0]=4 708 B11R1.36 CC(N)C(O)C1=CC=NC=C1 Z1263602353 [2,1,0,0,0,0|1,0,0]=4 709 B11R1.222 CC1=C(C=CC=C1)C(O)CN Z336086534 [2,1,0,0,0,0|0,0,0]=3 710 B11R1.222 NCC(O)C1=C(C=CC=C1)Cl Z1255523275 [2,1,0,0,0,0|0,0,0]=3 711 B11R1.13 CC1=C(C(=CC=C1)CCN)C Z4927171483 [2,1,0,0,0,0|1,0,0]=4 712 B11R1.13 NCCC1=C(C(=CC=C1)Br)O Z1953500453 [2,1,0,0,0,0|1,0,0]=4 713 B11R1.13 NCCC1=C(C(=CC=C1)Cl)Cl Z444350066 [2,1,0,0,0,0|1,0,0]=4 714 B11R1.13 NCCC1=C(C(=CC=C1)Cl)F Z3301588304 [2,1,0,0,0,0|1,0,0]=4 715 B11R1.13 NCCC1=C(C(=CC=C1)F)Cl Z4926042702 [2,1,0,0,0,0|1,0,0]=4 716 B11R1.13 NCCC1=C(C(=CC=C1)F)F Z1267773780 [2,1,0,0,0,0|1,0,0]=4 717 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [2,1,0,0,0,0|1,0,0]=4 718 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [2,1,0,0,0,0|1,0,0]=4 719 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [2,1,0,0,0,0|1,0,0]=4 720 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [2,1,0,0,0,0|1,0,0]=4 721 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [2,1,0,0,0,0|0,0,0]=3 722 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [2,1,0,0,0,0|1,0,0]=4 723 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [2,1,0,0,0,0|1,0,0]=4 724 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [2,1,0,0,0,0|1,0,0]=4 725 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [2,1,0,0,0,0|1,0,0]=4 726 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [2,1,0,0,0,0|0,0,0]=3 727 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [2,1,0,0,0,0|1,0,0]=4 728 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [2,1,0,0,0,0|1,0,0]=4 729 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [2,1,0,0,0,0|1,0,0]=4 730 B11R1.34 CC1=NC(=CC(=C1)CCN)O Z4705455739 [2,1,0,0,0,0|1,0,0]=4 731 B11R1.34 CCCC1=CC(=CC(=C1)O)O Z367653796 [2,1,0,0,0,0|1,0,0]=4 732 B11R1.34 NCCC1=CC(=CC(=C1)Cl)Br Z2792040945 [2,1,0,0,0,0|1,0,0]=4 733 B11R1.34 NCCC1=CC(=CC(=C1)Cl)Cl Z452428348 [2,1,0,0,0,0|1,0,0]=4 734 B11R1.34 NCCC1=CC(=CC(=C1)F)Br Z4607596589 [2,1,0,0,0,0|1,0,0]=4 735 B11R1.34 NCCC1=CC(=CC(=C1)F)F Z905065808 [2,1,0,0,0,0|1,0,0]=4 736 B11R1.34 NCCC1=CC(=CC(=C1)O)F Z2902196615 [2,1,0,0,0,0|0,0,0]=3 737 B11R1.34 OCCC1=CC(=CC(=C1)O)Cl Z2237647506 [2,1,0,0,0,0|1,0,0]=4 738 B11R1.157 CC(N)CC1=CC(=CC=C1)Br Z1259341031 [2,1,0,0,0,0|1,0,0]=4 739 B11R1.157 CC(N)CC1=CC(=CC=C1)Cl Z425389644 [2,1,0,0,0,0|1,0,0]=4 740 B11R1.157 CC(N)CC1=CC(=CC=C1)O Z285144026 [2,1,0,0,0,0|0,0,0]=3 741 B11R1.157 NC(=O)CC1=CC(=CC=C1)O Z816010252 [2,1,0,0,0,0|0,0,1]=4 742 B11R1.182 CC1=C(C=C(C=C1)F)CCN Z4751180899 [2,1,0,0,0,0|1,0,0]=4 743 B11R1.182 NCCC1=C(C=CC(=C1)Br)F Z285143732 [2,1,0,0,0,0|1,0,0]=4 744 B11R1.182 NCCC1=C(C=CC(=C1)Cl)Br Z1474026680 [2,1,0,0,0,0|1,0,0]=4 745 B11R1.182 NCCC1=C(C=CC(=C1)Cl)Cl Z1268152320 [2,1,0,0,0,0|1,0,0]=4 746 B11R1.182 NCCC1=C(C=CC(=C1)F)Br Z3681530426 [2,1,0,0,0,0|1,0,0]=4 747 B11R1.182 NCCC1=C(C=CC(=C1)F)Cl Z4668068102 [2,1,0,0,0,0|1,0,0]=4 748 B11R1.182 NCCC1=C(C=CC(=C1)F)F Z415635654 [2,1,0,0,0,0|1,0,0]=4 749 B11R1.182 NCCC1=C(C=CC(=C1)O)Br Z3376089277 [2,1,0,0,0,0|0,0,0]=3 750 B11R1.189 COC1=CC(=CC=C1)CCN Z285143778 [2,1,0,0,0,0|0,0,0]=3 751 B11R1.189 COC1=NC(=CC=C1)CCN Z1139189688 [2,1,0,0,0,0|1,0,0]=4 752 B11R1.189 COC1=NC=CC(=C1)CCN Z2298160753 [2,1,0,0,0,0|1,0,0]=4 753 B11R1.189 CSC1=CC(=CC=C1)CCN Z4873760169 [2,1,0,0,0,0|0,1,0]=4 754 B11R1.189 N#CC1=CC=CC(=C1)CCN Z1983080032 [2,1,0,0,0,0|1,0,0]=4 755 B11R1.189 NCCC1=CC(=CC=C1)CO Z4741652081 [2,1,0,0,0,0|0,0,0]=3 756 B13R1.5 COC1=CC=C(C=C1)CC(C)CN Z992310982 [1,1,0,0,0,1|1,0,0]=4 757 B13R1.5 COC1=CC=C(C=C1)OC(C)CN Z844632002 [1,1,0,0,0,1|1,0,0]=4 758 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Br Z1860991556 [1,1,0,0,0,1|1,0,0]=4 759 B13R1.145 NCC(CO)CC1=CC=C(C=C1)Cl Z1324055647 [1,1,0,0,0,1|1,0,0]=4 760 B13R1.145 NCC(CO)CC1=CC=C(C=C1)F Z285055048 [1,1,0,0,0,1|1,0,0]=4 761 B13R1.2679 CC1=CC(=C(C=C1)CC(O)CN)C Z1255405058 [1,1,0,0,0,1|1,0,0]=4 762 B13R1.2679 NCC(O)CC1=C(C=C(C=C1)F)F Z1694636386 [1,1,0,0,0,1|1,0,0]=4 763 B13R1.81 COC1=CC(=CC=C1)OC(C)CN Z844631912 [1,1,0,0,0,1|1,0,0]=4 764 B13R1.146 CC1=CC(=CC=C1)CC(CN)CO Z285055118 [1,1,0,0,0,1|1,0,0]=4 765 B13R1.146 NCC(CO)CC1=CC(=CC=C1)F Z285055090 [1,1,0,0,0,1|1,0,0]=4 766 B13R1.50 COC1=C(C=CC(=C1)C(C)(C)C)O Z1255435164 [1,2,0,0,0,0|1,0,0]=4 767 B13R1.120 CC(C)C1=CC(=C(C=C1)C(=O)O)O Z367679386 [1,2,0,0,0,0|1,0,0]=4 768 B13R1.652 COC1=C(C=C(C(=C1)C)C(C)O)C Z1255466885 [1,2,0,0,0,0|1,0,0]=4 769 B13R1.3091 COC1=C(C=C(C=C1)C(C)N)OC Z444350090 [1,2,0,0,0,0|1,0,0]=4 770 B13R1.3091 COC1=C(C=C(C=C1)C(C)O)OC Z228586178 [1,2,0,0,0,0|0,0,0]=3 771 B13R1.13 CC(C)C1=CC(=C(C=C1)O)B(O)O Z1504683012 [1,2,0,0,0,0|1,0,0]=4 772 B13R1.13 CC(C)C1=CC(=C(C=C1)O)C(=O)O Z367679362 [1,2,0,0,0,0|1,0,0]=4 773 B13R1.36 COC1=CC=C(C=C1)C(O)C(C)N Z1526453885 [1,2,0,0,0,0|0,0,0]=3 774 B13R1.39 COC1=CC=C(C=C1)C(CN)OC Z4261448724 [1,2,0,0,0,0|0,0,0]=3 775 B13R1.187 COC1=CC=C(C=C1)C(C)(C)CN Z1262246198 [1,2,0,0,0,0|1,0,0]=4 776 B13R1.187 COC1=CC=C(C=C1)C(C)(O)CN Z3244870706 [1,2,0,0,0,0|0,0,0]=3 777 B13R1.452 COC1=CC=C(C=C1)C(C)CCN Z851015012 [1,2,0,0,0,0|1,0,0]=4 778 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] Z235472504 [1,2,0,0,0,0|0,0,1]=4 779 B13R1.537 O=C(O)C1=CC=C(C=C1)C(O)CF Z3003535596 [1,2,0,0,0,0|1,0,0]=4 780 B13R1.710 CC1=CC=C(C=C1)C(C)(CN)CO Z5050028531 [1,2,0,0,0,0|1,0,0]=4 781 B13R1.710 CCC(O)(CN)C1=CC=C(C=C1)Br Z1020684308 [1,2,0,0,0,0|1,0,0]=4 782 B13R1.4183 CC(O)(CN)C1=C(C=C(C=C1)F)F Z1267881673 [1,2,0,0,0,0|1,0,0]=4 783 B13R1.706 COC(C1=CC=C(C=C1)F)C(C)N Z1592042577 [1,2,0,0,0,0|1,0,0]=4 784 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)Cl Z3244719959 [1,2,0,0,0,0|1,0,0]=4 785 B13R1.706 NCC(C(=O)O)C1=CC=C(C=C1)F Z3244719948 [1,2,0,0,0,0|1,0,0]=4 786 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [1,2,0,0,0,0|1,0,0]=4 787 B13R1.132 CC(N)CC(O)C1=CC=C(C=C1)F Z1424669539 [1,2,0,0,0,0|1,0,0]=4 788 B13R1.163 CC(N)C(O)C1=C(C=C(C=C1)Cl)Cl Z1695797889 [1,2,0,0,0,0|1,0,0]=4 789 B13R1.3040 COC1=CC(=CC=C1)C(C)(C)CN Z801752006 [1,2,0,0,0,0|1,0,0]=4 790 B13R1.3040 COC1=CC(=CC=C1)C(F)(F)CN Z4188715617 [1,2,0,0,0,0|1,0,0]=4 791 B13R1.646 COC1=CC=CC(=C1)C(CN)OC Z2670815973 [1,2,0,0,0,0|0,0,0]=3 792 B13R1.18 CCNCC(O)C1=CC(=CC=C1)O Z56836691 [1,2,0,0,0,0|0,0,0]=3 793 B13R1.2209 COC1=C(C=C(C=C1)Cl)C(O)CN Z1269169332 [1,2,0,0,0,0|1,0,0]=4 794 B13R1.374 CCOC1=CC(=CC=C1)C(O)CC Z513748204 [1,2,0,0,0,0|1,0,0]=4 795 B13R1.35 COC1=C(C=C(C=C1)CC(C)N)O Z4574899614 [1,2,0,0,0,0|0,0,0]=3 796 B13R1.52 COC1=C(C=CC(=C1)CC(C)N)O Z4119887033 [1,2,0,0,0,0|0,0,0]=3 797 B13R1.518 CC(C)(N)CC1=CC(=C(C=C1)F)O Z5336269159 [1,2,0,0,0,0|1,0,0]=4 798 B13R1.386 COC1=C(C=C(C=C1)CCN)OC Z104477298 [1,2,0,0,0,0|0,0,0]=3 799 B13R1.386 COC1=C(C=C(C=C1)CCO)OC Z397587464 [1,2,0,0,0,0|1,0,0]=4 800 B13R1.387 NCCC1=CC(=C(C=C1)O)[N+](=O)[O-] Z3717955584 [1,2,0,0,0,0|0,0,1]=4 801 B13R1.575 CNCCC1=CC(=C(C=C1)O)OC Z4437707719 [1,2,0,0,0,0|0,0,0]=3 802 B13R1.1255 COC1=C(C(=CC=C1F)CCN)F Z5620691798 [1,2,0,0,0,0|1,0,0]=4 803 B13R1.577 CNCCC1=CC(=C(C=C1)OC)F Z5105882170 [1,2,0,0,0,0|1,0,0]=4 804 B13R1.577 COC1=C(C=C(C=C1)CCCN)Br Z5847596118 [1,2,0,0,0,0|1,0,0]=4 805 B13R1.577 COC1=C(C=C(C=C1)CCCN)O Z3599685490 [1,2,0,0,0,0|0,0,0]=3 806 B13R1.2901 COC1=C(C=C(C(=C1)Br)CCN)O Z3505331757 [1,2,0,0,0,0|0,0,0]=3 807 B13R1.511 CN(C)CCC1=CC(=C(C=C1)O)O Z1501469796 [1,2,0,0,0,0|0,0,0]=3 808 B15R1.3769 COC1=C(C=C(C=C1)CC(C)CN)OC Z1233159532 [0,2,0,0,0,1|1,0,0]=4 809 B15R1.3780 COC1=C(C=C(C=C1)CC(CN)CO)O Z1259339888 [0,2,0,0,0,1|0,0,0]=3 810 B15R1.12855 COC1=C(C=C(C=C1)C(CN)OC)OC Z4371526952 [0,3,0,0,0,0|0,0,0]=3 811 B15R1.816 NCCC(O)C1=CC(=C(C=C1)O)[N+](=O)[O-] Z4766582074 [0,3,0,0,0,0|0,0,1]=4 812 B15R1.16219 COC1=C(C=C(C=C1)C(C)(C)CN)OC Z725146538 [0,3,0,0,0,0|1,0,0]=4 813 B15R1.889 CC(C)NCC(O)C1=CC(=C(C=C1)O)O Z1416254508 [0,3,0,0,0,0|0,0,0]=3 814 B11R2.34 BrC1=CC=C(C=C1)C2CO2 Z278165164 [2,0,0,1,0,0|1,0,0]=4 815 B11R2.34 BrC1=CC=C(C=C1)[C@@H]2CO2 Z1198177141 [2,0,0,1,0,0|1,0,0]=4 816 B11R2.34 BrC1=CC=C(C=C1)[C@H]2CO2 Z1198177142 [2,0,0,1,0,0|1,0,0]=4 817 B11R2.34 CC1=CC=C(C=C1)C2CO2 Z278165170 [2,0,0,1,0,0|1,0,0]=4 818 B11R2.34 ClC1=CC=C(C=C1)C2CO2 Z274971352 [2,0,0,1,0,0|1,0,0]=4 819 B11R2.34 ClC1=CC=C(C=C1)[C@@H]2CO2 Z1255450845 [2,0,0,1,0,0|1,0,0]=4 820 B11R2.34 ClC1=CC=C(C=C1)[C@H]2CO2 Z1198173162 [2,0,0,1,0,0|1,0,0]=4 821 B11R2.34 FC1=CC=C(C=C1)C2CO2 Z238878272 [2,0,0,1,0,0|1,0,0]=4 822 B11R2.34 FC1=CC=C(C=C1)[C@@H]2CO2 Z1255365381 [2,0,0,1,0,0|1,0,0]=4 823 B11R2.34 FC1=CC=C(C=C1)[C@H]2CO2 Z1255356921 [2,0,0,1,0,0|1,0,0]=4 824 B11R2.35 BrC1=CC(=CC=C1)C2CO2 Z278165168 [2,0,0,1,0,0|1,0,0]=4 825 B11R2.35 BrC1=CC(=CC=C1)[C@@H]2CO2 Z1575341746 [2,0,0,1,0,0|1,0,0]=4 826 B11R2.35 BrC1=CC(=CC=C1)[C@H]2CO2 Z1575341859 [2,0,0,1,0,0|1,0,0]=4 827 B11R2.35 CC1=CC(=CC=C1)C2CO2 Z802853588 [2,0,0,1,0,0|1,0,0]=4 828 B11R2.35 ClC1=CC(=CC=C1)C2CO2 Z278165232 [2,0,0,1,0,0|1,0,0]=4 829 B11R2.35 ClC1=CC(=CC=C1)[C@@H]2CO2 Z1255457905 [2,0,0,1,0,0|1,0,0]=4 830 B11R2.35 FC1=CC(=CC=C1)C2CO2 Z283685748 [2,0,0,1,0,0|1,0,0]=4 831 B11R2.35 OC1=CC(=CC=C1)C2CC2 Z1198170922 [2,0,0,1,0,0|1,0,0]=4 832 B11R2.36 BrC1=CC2=C(C=C1)CCN2 Z1267773746 [2,0,0,1,0,0|1,0,0]=4 833 B11R2.36 CC1=CC2=C(C=C1)CCN2 Z1269638555 [2,0,0,1,0,0|1,0,0]=4 834 B11R2.36 ClC1=CC2=C(C=C1)CCN2 Z926915320 [2,0,0,1,0,0|1,0,0]=4 835 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z440803576 [2,0,0,1,0,0|1,0,0]=4 836 B11R2.36 OC1=CC2=C(C=C1)CCN2 Z3241260546 [2,0,0,1,0,0|0,0,0]=3 837 B11R2.36 OC1=NC2=C(C=C1)CCN2 Z5351512817 [2,0,0,1,0,0|1,0,0]=4 838 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [2,0,0,1,0,0|1,0,0]=4 839 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [2,0,0,1,0,0|1,0,0]=4 840 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [2,0,0,1,0,0|1,0,0]=4 841 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [2,0,0,1,0,0|1,0,0]=4 842 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [2,0,0,1,0,0|1,0,0]=4 843 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [2,0,0,1,0,0|1,0,0]=4 844 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [2,0,0,1,0,0|1,0,0]=4 845 B11R2.106 BrC1=C2NCCC2=CC=C1 Z2739025449 [2,0,0,1,0,0|1,0,0]=4 846 B11R2.106 CC1=C2NCCC2=CC=C1 Z1331055683 [2,0,0,1,0,0|1,0,0]=4 847 B11R2.106 ClC1=C2NCCC2=CC=C1 Z235537094 [2,0,0,1,0,0|1,0,0]=4 848 B11R2.106 FC1=C2NCCC2=CC=C1 Z235538802 [2,0,0,1,0,0|1,0,0]=4 849 B11R2.106 NC1=C2NCCC2=CC=C1 Z1203580163 [2,0,0,1,0,0|1,0,0]=4 850 B11R2.106 OC1=C2CCCC2=CC=C1 Z1198149277 [2,0,0,1,0,0|1,0,0]=4 851 B11R2.106 OC1=C2OCCC2=CC=C1 Z1486027488 [2,0,0,1,0,0|1,0,0]=4 852 B13R2.155 OC1=CC2=C(C=C1)CCC(C2)O Z1513811314 [1,0,0,1,0,1|1,0,0]=4 853 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)Br Z2733593416 [1,0,0,1,0,1|1,0,0]=4 854 B13R2.155 OC1CNC2=C(C1)C=C(C=C2)F Z1813139692 [1,0,0,1,0,1|1,0,0]=4 855 B13R2.5179 OC1=CC=CC2=C1NCC(C2)O Z2737445967 [1,0,0,1,0,1|0,0,0]=3 856 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Br Z2582758894 [1,1,0,1,0,0|1,0,0]=4 857 B13R2.2986 OC1(CNC1)C2=CC=C(C=C2)Cl Z4473823969 [1,1,0,1,0,0|1,0,0]=4 858 B13R2.12 OC1=CC=C(C=C1)C2CCNC2 Z2692095167 [1,1,0,1,0,0|1,0,0]=4 859 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [1,1,0,1,0,0|1,0,0]=4 860 B13R2.3018 OC1(CNC1)C2=CC(=CC=C2)Br Z1551923504 [1,1,0,1,0,0|1,0,0]=4 861 B13R2.3018 OC1(CNC1)C2=CC(=CC=C2)F Z3487915997 [1,1,0,1,0,0|1,0,0]=4 862 B13R2.13 OC1=CC(=CC=C1)C2CCNC2 Z2489057895 [1,1,0,1,0,0|1,0,0]=4 863 B13R2.342 CC1CCNC2=C1C=CC=C2O Z1718362003 [1,1,0,1,0,0|1,0,0]=4 864 B13R2.342 OC1=CC=CC2=C1CCCC2O Z104511134 [1,1,0,1,0,0|1,0,0]=4 865 B13R2.449 NCCC1=CC2=C(C=C1)OC=C2 Z4327136974 [1,1,0,1,0,0|1,0,0]=4 866 B13R2.449 NCCC1=CC2=C(C=C1)OCC2 Z316119814 [1,1,0,1,0,0|1,0,0]=4 867 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 Z94601334 [1,1,0,1,0,0|0,0,0]=3 868 B13R2.599 COC1=C(C=C2CCCC2=C1)O Z1513818935 [1,1,0,1,0,0|1,0,0]=4 869 B15R2.4343 CCC(O)CC1=CC2=C(C=C1)OCO2 Z1251358037 [0,1,0,1,0,1|1,0,0]=4 870 B15R2.4239 N=C(N)C(O)C1=CC2=C(C=C1)OCO2 Z2380344718 [0,2,0,1,0,0|0,0,1]=4 871 B15R2.1601 NCC(N)C1=CC2=C(C=C1)OCCO2 Z1891776929 [0,2,0,1,0,0|1,0,0]=4 872 B15R2.902 CC(C)(CN)C1=CC2=C(C=C1)OCO2 Z725146570 [0,2,0,1,0,0|1,0,0]=4 873 B9R1.11 NCC(O)C1=COC=C1 Z1198261509 [2,0,0,0,1,0|1,0,0]=4 874 B9R1.11 NCC(O)C1=CSC=C1 Z330910460 [2,0,0,0,1,0|1,0,0]=4 875 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [1,0,0,0,0,2|1,0,0]=4 876 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [1,0,0,0,0,2|1,0,0]=4