0 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 20662 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.75 CC(=O)NC1=C(C=O)C=CC=C1 T70224 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.75 CC(=O)NC1=C(C=O)C=CN=C1 57759 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.75 CC(=O)OC1=C(CBr)C=CC=C1 F18015 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.75 CCC1=C(CC(=O)O)C=CC=C1 C15212 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.75 COC1=C(CC(=O)O)C=CC=N1 71805 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.75 COC1=CC=CN=C1CC(=O)[O-] 81711 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.75 O=C(O)CC1=C(CBr)C=CC=C1 W10194 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.75 O=CC1=C(CC(=O)O)C=CC=C1 C12630 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.41 COC1=C(CCN)C=CC=C1 C11486 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [1,0,0,0,0,0|3,0,0]=4 14 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 CL9125 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.51 COC1=C(CC(=O)O)C=CC(Cl)=C1 CL9333 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.51 COC1=C(CC(=O)O)C=CC(F)=C1 CL9317 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.51 COC1=C(OC(F)F)C=CC(Br)=C1 W10427 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.89 COC1=C([C@@H](C)C(=O)O)C=CC=C1 O10458 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 F15705 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.91 COC(=O)CC1=C(CCl)C=CC=C1 71911 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.91 COC(=O)NC1=C(CO)C=CC=C1 W11200 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 N11150 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 Y11043 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 Y11044 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 Y13401 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.91 COC1=C(NC(=O)CCl)C=CC=C1 C75623 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 AB22059 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.115 CC(=O)NC1=CC=CC(F)=C1C#N D71964 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.115 COC1=C(CC(=O)O)C=CC=C1C CL9517 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.380 CCOC1=C(CC(=O)O)C=CC=C1 A12778 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.380 CCOC1=C(NC(C)=O)C=CC=C1 D88214 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.589 CC(=O)CC1=C([N+](=O)[O-])C=CC=C1 71432 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.589 CC(=O)OC1=C([N+](=O)[O-])C=CC=C1 D79947 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.3089 COC1=C(NC(C)=O)C=C(Br)C=C1 W19122 [0,1,0,0,0,0|1,0,0]=2 35 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 50300 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 62716 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.72 O=C(O)[C@@H]1CNC2=C1C=CC=C2 60540 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,1,0,0|1,0,0]=2 40 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,0,1,0,0|3,0,0]=4 41 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,0,0,1,0,0|1,0,1]=3 42 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 27607 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,0,0,1,0,0|2,0,0]=3 44 B13R2.581 COC1=C2C=C(C)NC2=CC=C1 52361 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.581 COC1=CC=CC2=C1CC(=O)N2 35530 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.581 COC1=CC=CC2=C1N=C(C)O2 D93124 [0,0,0,1,0,0|1,0,1]=3 47 B13R2.581 COC1=CC=CC2=C1N=C(Cl)N2 F15889 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.581 COC1=CC=CC2=C1N=C(Cl)O2 F50758 [0,0,0,1,0,0|2,0,1]=4 49 B13R2.581 COC1=CC=CC2=C1N=C(S)O2 F51132 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.581 COC1=CC=CC2=C1NC(=O)N2 F15888 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 25427 [0,0,0,1,0,0|2,0,0]=3 52 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,0,0,0,1,0|2,0,1]=4 53 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,0,0,0,1,0|1,0,1]=3 54 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,0,0,0,1,0|3,0,0]=4 55 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 O11001 [0,0,0,0,1,0|3,0,0]=4 56 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,0,0,0,1,0|1,0,0]=2 58 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [0,0,0,0,1,0|2,0,1]=4 59 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [0,0,0,0,1,0|2,0,1]=4 60 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [0,0,0,0,1,0|2,0,1]=4 61 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [0,0,0,0,1,0|2,0,1]=4 62 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,0,0,0,1,0|1,0,0]=2 63 B11R1.53 COC1=C(C(=N)N)C=CC=C1 71596 [0,0,0,0,1,0|2,0,0]=3 64 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,0,0,0,1,0|1,0,0]=2 65 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,0,0,0,1,0|1,0,0]=2 66 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,0,0,0,1,0|1,0,0]=2 67 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 52750 [0,0,0,0,1,0|1,0,1]=3 68 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 F16921 [0,0,0,0,1,0|1,0,1]=3 69 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 N10418 [0,0,0,0,1,0|1,0,1]=3 70 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10162 [0,0,0,0,1,0|1,0,1]=3 71 B11R1.53 COC1=C([C@H](C)N)C=CC=C1 Y10512 [0,0,0,0,1,0|1,0,1]=3 72 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,0,0,0,1,0|2,0,1]=4 73 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,0,0,0,1,0|1,0,2]=4 74 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 C74572 [0,0,0,0,1,0|2,1,0]=4 76 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,0,0,0,1,0|3,0,0]=4 77 B13R1.90 CC(=O)OCC1=C(C#N)C=CC=C1 C74978 [0,0,0,0,0,1|2,0,0]=3 78 B13R1.90 COC1=C(CCC(=O)O)C=CC=N1 72713 [0,0,0,0,0,1|3,0,0]=4 79 B13R1.90 COC1=C(CNC(C)C)C=CC=C1 C78446 [0,0,0,0,0,1|2,0,1]=4 80 B13R1.90 COC1=C(NNC(C)=O)C=CC=C1 W11392 [0,0,0,0,0,1|1,0,0]=2 81 B13R1.90 COC1=C(OCC(C)=O)C=CC=C1 W13435 [0,0,0,0,0,1|0,0,0]=1 82 B13R1.90 COC1=CC=CN=C1CCC(=O)O 72712 [0,0,0,0,0,1|3,0,0]=4 83 B13R1.90 O=C(O)COC1=C(CO)C=CC=C1 C77342 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.4 CCOC1=NC=CC=C1O 79061 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [2,0,0,0,0,0|1,0,0]=3 92 B10R1.20 COC1=CC=CN=C1C=O P10318 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.20 COC1=CN=CN=C1OC H10157 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.20 COC1=NC=CN=C1OC 21131 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [2,0,0,0,0,0|0,1,0]=3 96 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [2,0,0,0,0,0|1,0,0]=3 98 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10282 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10283 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y10315 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11966 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y11967 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=C1 Y12173 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.77 CN[C@@H](C)C1=C(OC)C=CC=C1 Y12190 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.112 CCOC1=NC=C(Br)C=C1OC C71954 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.112 COC1=C(NC=O)C=CC(Br)=N1 W12487 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.121 COC1=C(CCC=O)C=CC=C1 F19725 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 Y10278 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 D83457 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.124 CC1=C([C@@H](N)C(=O)O)C=CC=C1 Y11801 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y10677 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.127 CC(=O)NC1=C(Br)C=CC(Br)=C1 28021 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.127 CC(=O)NC1=C(O)C=CC(Cl)=C1 F19911 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.127 O=C(O)CC1=C(O)C=CC(Cl)=C1 AC5703 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.151 CC(C)(C)OC1=C(O)C=CC=C1 A12306 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.224 CC(=O)CC1=CC=CC(F)=C1F Y12421 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 75491 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.224 CC1=C(CC(=O)O)C=CC=C1N 78655 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.224 CC1=C(I)C=CC=C1CC(=O)O CL9700 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.233 CC(=O)CC1=C(Br)C=C(Cl)C=C1 C72216 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.233 CC(=O)CC1=C(F)C=C(F)C=C1 N12745 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.233 CC(=O)NC1=C(I)C=C(Br)C=C1 71393 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 D96026 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.233 CC1=C(CC(=O)O)C=CC(N)=C1 72069 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.233 O=C(O)CC1=C(O)C=C(Br)C=C1 CL9173 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.371 CCC(=O)NC1=C(N)C=CC=C1 D93364 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 12221 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.1009 CC(=O)NC1=C(Cl)C=CC=C1Cl AB10318 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 D71991 [0,1,0,0,1,0|2,0,0]=4 136 B12R1.46 COC1=C(C(=O)O)C=C(N)C=C1 A12433 [0,1,0,0,1,0|1,0,0]=3 137 B12R1.46 COC1=C(C(=O)O)C=C(O)C=C1 D95032 [0,1,0,0,1,0|1,0,0]=3 138 B12R1.46 COC1=C(C(=O)O)N=C(Br)C=C1 C72022 [0,1,0,0,1,0|2,0,0]=4 139 B12R1.46 COC1=C(C(C)C)C=C(N)C=C1 C77115 [0,1,0,0,1,0|1,0,1]=4 140 B12R1.57 CCC1=C(C(=O)O)C=CC(Br)=C1 D95188 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.57 CCC1=C(C(=O)O)C=CC(N)=C1 D70908 [0,1,0,0,1,0|2,0,0]=4 142 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 FD10660 [0,1,0,0,1,0|2,0,0]=4 143 B12R1.57 COC1=C(C(=O)O)C=CC(C)=N1 W17747 [0,1,0,0,1,0|2,0,0]=4 144 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 C76053 [0,1,0,0,1,0|2,0,0]=4 145 B12R1.57 COC1=C(C(=O)O)C=CC(N)=N1 F52096 [0,1,0,0,1,0|2,0,0]=4 146 B12R1.57 COC1=C(C(C)C)C=CC(Br)=C1 D81047 [0,1,0,0,1,0|1,0,1]=4 147 B12R1.57 COC1=C([C@H](C)N)C=CC(F)=C1 Y11779 [0,1,0,0,1,0|1,0,1]=4 148 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O 97690 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.57 COC1=CC(Br)=CN=C1C(C)=O O10302 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.57 COC1=CC(Cl)=CN=C1C(=O)O P15419 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.87 CCC1=C(Br)C=CC=C1C(=O)O W18407 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.87 CNC1=C(F)C=CC=C1C(=O)O N12920 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.87 COC1=C(Br)C=CC=C1C(C)=O F13154 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.87 COC1=C(Br)C=CC=C1C(N)=O C76534 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.87 COC1=C(Br)C=CC=C1[C@H](C)O P14982 [0,1,0,0,1,0|0,0,2]=4 156 B12R1.87 COC1=C(Cl)C=CN=C1C(=O)O F11124 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.87 COC1=C(F)C=CC=C1C(C)=O F13156 [0,1,0,0,1,0|0,0,0]=2 158 B12R1.261 CC(=O)C1=C(B(O)O)C=CC=C1 50324 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y10100 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12102 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.261 C[C@H](N)C1=C(C(=O)O)C=CC=C1 Y12103 [0,1,0,0,1,0|2,0,0]=4 162 B12R1.437 COC1=C(C(=O)O)C(F)=NC=C1 O10781 [0,1,0,0,1,0|2,0,0]=4 163 B12R1.437 COC1=C(C(=O)O)C(N)=CN=C1 52218 [0,1,0,0,1,0|2,0,0]=4 164 B12R1.437 COC1=C(C(C)=O)C(C)=CC=C1 C75893 [0,1,0,0,1,0|0,0,0]=2 165 B12R1.437 COC1=CC=CC(Br)=C1C(C)=O O10259 [0,1,0,0,1,0|0,0,0]=2 166 B12R1.437 COC1=CC=CC(Br)=C1C(N)=O C72080 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.437 COC1=CC=CC(Cl)=C1C(C)=O 25880 [0,1,0,0,1,0|0,0,0]=2 168 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y11506 [0,1,0,0,1,0|1,0,1]=4 169 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y12981 [0,1,0,0,1,0|1,0,1]=4 170 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y13450 [0,1,0,0,1,0|1,0,1]=4 171 B12R1.437 COC1=CC=CC(Cl)=C1[C@H](C)N Y13451 [0,1,0,0,1,0|1,0,1]=4 172 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N F14417 [0,1,0,0,1,0|1,0,1]=4 173 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N F14418 [0,1,0,0,1,0|1,0,1]=4 174 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N N12882 [0,1,0,0,1,0|1,0,1]=4 175 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N Y11915 [0,1,0,0,1,0|1,0,1]=4 176 B12R1.437 COC1=CC=CC(F)=C1[C@H](C)N Y11916 [0,1,0,0,1,0|1,0,1]=4 177 B12R1.437 COC1=CC=CC(I)=C1C(=O)O 58592 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.437 COC1=CC=CC(I)=C1[N+](=O)[O-] S11058 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.437 COC1=CN=CC(Cl)=C1C(=O)O 64353 [0,1,0,0,1,0|2,0,0]=4 180 B12R1.437 COC1=NC=CC(Cl)=C1C(=O)O C13695 [0,1,0,0,1,0|2,0,0]=4 181 B12R1.437 COC1=NC=CC(F)=C1C(=O)O D93132 [0,1,0,0,1,0|2,0,0]=4 182 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 Y11719 [0,1,0,0,0,1|2,0,0]=4 183 B14R1.1865 COC1=C(CCC(=O)O)C=C(F)C=C1 Y10317 [0,1,0,0,0,1|2,0,0]=4 184 B14R1.1865 COC1=C(\C=C\C(=O)O)C=C(F)C=C1 A12105 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.2172 CC(=O)OCC1=C(Br)C=CC=C1C#N W15368 [0,1,0,0,0,1|2,0,0]=4 186 B14R1.4522 CC(C)C1=C(OCC(=O)O)C=CC=C1 D83213 [0,1,0,0,0,1|2,0,0]=4 187 B14R1.95 C=C(C(=O)OC)C1=C(OC)C=CC=C1 W10258 [0,2,0,0,0,0|1,0,0]=3 188 B14R1.965 COC1=C(NC(=O)CC#N)C=CC=C1 A12710 [0,2,0,0,0,0|1,0,0]=3 189 B14R1.3279 COC(=O)CC1=C(OC)C=CC(Br)=C1 S11898 [0,2,0,0,0,0|1,0,0]=3 190 B14R1.3995 COC(=O)CC1=CC=CC(Br)=C1OC 97766 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 S11314 [0,2,0,0,0,0|2,0,0]=4 192 B14R1.2180 COC1=C(OC(C)=O)C(C=O)=CC=C1 P16806 [0,2,0,0,0,0|0,0,0]=2 193 B14R1.2180 COC1=CC=CC(OC)=C1NC(C)=O 20872 [0,2,0,0,0,0|1,0,0]=3 194 B14R1.3723 C#CC1=CC(OC(C)C)=C(OC)C=C1 P16863 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.440 COC1=CC=CC(C(C)=O)=C1N 11655 [0,0,1,1,0,0|2,0,0]=4 196 B12R1.440 COC1=CC=CC(C(C)=O)=C1O P11508 [0,0,1,1,0,0|2,0,0]=4 197 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [1,0,0,1,0,0|1,0,1]=4 198 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [1,0,0,1,0,0|2,0,0]=4 199 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [1,0,0,1,0,0|2,0,0]=4 200 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [1,0,0,1,0,0|1,0,1]=4 201 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [1,0,0,1,0,0|1,0,1]=4 202 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [1,0,0,1,0,0|2,0,0]=4 203 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [1,0,0,1,0,0|2,0,0]=4 204 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [1,0,0,1,0,0|2,0,0]=4 205 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1052 [1,0,0,1,0,0|1,0,1]=4 206 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C73376 [1,0,0,1,0,0|2,0,0]=4 207 B12R2.315 COC1=C2CNCC2=CC=C1 36595 [1,0,0,1,0,0|2,0,0]=4 208 B12R2.315 COC1=C2CNCC2=CC=C1 Y13501 [1,0,0,1,0,0|2,0,0]=4 209 B12R2.315 COC1=C2N=CNC2=CC=C1 C74404 [1,0,0,1,0,0|2,0,0]=4 210 B12R2.315 COC1=C2SC=NC2=CC=C1 F13989 [1,0,0,1,0,0|1,1,0]=4 211 B12R2.315 COC1=CC=CC2=C1C=CS2 I11382 [1,0,0,1,0,0|1,1,0]=4 212 B12R2.315 COC1=CC=CC2=C1N=CO2 D83924 [1,0,0,1,0,0|1,0,1]=4 213 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [1,0,0,1,0,0|1,0,1]=4 214 B12R2.2048 COC1=C([C@@H]2CO2)C=CC=C1 P17977 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.202 CC1=CC2=CC=CC(C)=C2N1 S10129 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.202 CC1=CC=CC2=C1OC(=O)N2 F20152 [1,0,0,1,0,0|1,0,0]=3 217 B12R2.202 CC1=CC=NC2=C1NC(=O)C2 C75634 [1,0,0,1,0,0|2,0,0]=4 218 B12R2.202 CC1=NC2=C(C=CC=C2O)S1 D84739 [1,0,0,1,0,0|1,1,0]=4 219 B12R2.202 CC1=NC2=C(O)C=CC=C2N1 W10564 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 D80850 [1,0,0,1,0,0|2,0,0]=4 221 B12R2.202 NC1=CC=CC2=C1OC(=O)N2 70907 [1,0,0,1,0,0|2,0,0]=4 222 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 38087 [1,0,0,1,0,0|2,0,0]=4 223 B12R2.202 O=C1CC2=CC=CC(Cl)=C2C1 27432 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.202 O=C1CC2=CC=CC(F)=C2C1 I11355 [1,0,0,1,0,0|2,0,0]=4 225 B12R2.202 O=C1NC2=CC=CC(Br)=C2O1 36174 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,0,0,1,1,0|2,0,0]=4 227 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,0,0,1,1,0|2,0,0]=4 228 B14R2.2 CC(=O)O[C@H]1CCC2=CC=CN=C21 N12355 [0,0,0,1,0,1|2,0,0]=4 229 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,0,0,1,0,1|2,0,0]=4 230 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,0,0,1,0,1|1,0,0]=3 231 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)N2 F19189 [0,0,0,1,0,1|2,0,0]=4 232 B14R2.1073 COC1=CC=CC2=C1CCC(=O)O2 Y11653 [0,0,0,1,0,1|2,0,0]=4 233 B14R2.1073 COC1=CC=CC2=NC(C)=CC=C12 69652 [0,0,0,1,0,1|2,0,0]=4 234 B14R2.1925 COC1=C2N=C(C)NC2=CC(Cl)=C1 79665 [0,1,0,1,0,0|2,0,0]=4 235 B14R2.7974 O=C1CCCC2=C(C=CC(Br)=C2)N1 P19143 [0,1,0,1,0,0|2,0,0]=4 236 B14R2.8235 C[C@H]1CC(=O)NC2=C1C=C(Cl)C=C2 P16869 [0,1,0,1,0,0|2,0,0]=4 237 B14R2.148 COC1=C(N2CCC2=O)C=CC=C1 F14261 [0,1,0,1,0,0|1,0,0]=3 238 B14R2.25733 CC(=O)C1=CN(C)C2=C1C=CC=C2 W17298 [0,1,0,1,0,0|2,0,0]=4 239 B14R2.31359 O=C(O)[C@@H]1CCOC2=C1C=CC=C2 F20640 [0,1,0,1,0,0|2,0,0]=4 240 B14R2.95 O=C(CBr)C1=COC2=C1C=CC=C2 30170 [0,1,0,1,0,0|1,0,1]=4 241 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 P10220 [0,1,0,1,0,0|2,0,0]=4 242 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O C11953 [0,1,0,1,0,0|2,0,0]=4 243 B14R2.8188 O=C1OC2=C(C=CC=C2)C(Br)C1Br 56107 [0,1,0,1,0,0|2,0,0]=4 244 B14R2.11647 COC1=CC=CC2=C1C=C(C=O)N2 P16434 [0,1,0,1,0,0|2,0,0]=4 245 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 63804 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 F19836 [0,1,0,1,0,0|0,0,1]=3 247 B14R2.11684 COC1=C2OC(=O)CCC2=CC=C1 Y11652 [0,1,0,1,0,0|0,0,0]=2 248 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2N C73313 [0,1,0,1,0,0|2,0,0]=4 249 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O 75096 [0,1,0,1,0,0|2,0,0]=4 250 B14R2.9440 CC(=O)NC1=C2CCCC2=CC=C1 79953 [0,1,0,1,0,0|2,0,0]=4 251 B14R2.9440 CC(=O)OC1=C2NC=CC2=CC=C1 24170 [0,1,0,1,0,0|1,0,1]=4 252 B14R2.28454 O=C1CCCC2=C(Br)C=CC=C2N1 N13123 [0,1,0,1,0,0|2,0,0]=4 253 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 D73288 [0,1,0,1,0,0|0,0,1]=3 254 B14R2.390 NC1=C2NC(=O)CCCC2=CC=C1 P20083 [0,1,0,1,0,0|2,0,0]=4 255 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 I10673 [0,1,0,1,0,0|2,0,0]=4 256 B14R2.380 O=C1CCCC2=C(C=C(Br)C=C2)N1 N13010 [0,1,0,1,0,0|2,0,0]=4 257 B14R2.380 O=C1CCNC2=C(C=C(Cl)C=C2)N1 W13171 [0,1,0,1,0,0|2,0,0]=4 258 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(S)=C2 C14658 [0,1,0,1,0,0|1,0,1]=4 259 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,0,0,0,1,0|2,0,0]=4 260 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [1,0,0,0,1,0|2,0,0]=4 261 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [1,0,0,0,1,0|1,0,0]=3 262 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [1,0,0,0,1,0|2,0,0]=4 263 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [1,0,0,0,1,0|2,0,0]=4 264 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [1,0,0,0,1,0|2,0,0]=4 265 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [1,0,0,0,1,0|2,0,0]=4 266 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [1,0,0,0,1,0|1,0,0]=3 267 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [1,0,0,0,1,0|1,0,0]=3 268 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [1,0,0,0,1,0|2,0,0]=4 269 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [1,0,0,0,1,0|1,0,1]=4 270 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [1,0,0,0,1,0|2,0,0]=4 271 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [1,0,0,0,1,0|1,0,0]=3 272 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [1,0,0,0,1,0|2,0,0]=4 273 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [1,0,0,0,1,0|2,0,0]=4 274 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [1,0,0,0,1,0|2,0,0]=4 275 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [1,0,0,0,1,0|2,0,0]=4 276 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,0,0,0,1,0|1,0,1]=4 277 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,0,0,0,1,0|1,0,1]=4 278 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,0,0,0,1,0|1,0,1]=4 279 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,0,0,0,1,0|1,0,1]=4 280 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,0,0,0,1,0|0,0,2]=4 281 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [1,0,0,0,1,0|2,0,0]=4 282 B10R1.39 COC1=C(C(=O)O)SC=C1 W12768 [0,0,0,0,2,0|2,0,0]=4 283 B10R1.39 COC1=CSC=C1C(=O)O 24669 [0,0,0,0,2,0|2,0,0]=4