0 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CS-W013344 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 NC(CO)C1=CC=CC=C1 CS-W005163 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 NNC(=O)C1=NC=NC=C1 CS-W022945 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.15 O=C(CBr)C1=CN=CC=C1 CS-W010052 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CS-W016497 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.6 CC(=O)C1=CC=CN=C1 CS-W008604 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 CC(=O)C1=CC=NC=C1 CS-W008727 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 CC(=O)C1=NC=CC=N1 CS-W003508 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 CC(C)C1=CC=CC=N1 CS-W019396 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.6 CC(N)C1=CC=CC=C1 CS-W013564 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.6 CC(N)C1=NC=CC=C1 CS-M2153 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 CC(N)C1=NC=CC=C1 CS-W023139 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CS-W008645 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.6 C[C@@H](N)C1=CC=NC=C1 CS-0098148 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CS-M2101 [1,0,0,0,0,0|0,0,2]=3 20 B9R1.6 C[C@@H](O)C1=NC=CC=C1 CS-0040476 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.6 C[C@H](N)C1=CC=CN=C1 CS-0044516 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 O=C(O)C1=NC=CC=C1 CS-0063155 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 O=C(O)C1=NC=CN=C1 CS-M0892 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0035271 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 CC#CC1=CC=CC=C1 CS-W013608 [1,0,0,0,0,0|0,0,2]=3 26 B9R1.8 NCCC1=CC=CC=N1 CS-W005000 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 NCCC1=CN=CC=C1 CS-W008641 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 NNCC1=CC=CC=C1 CS-W008735 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 NOCC1=CC=CC=C1 CS-W008676 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.8 OCCC1=CC=NC=C1 CS-W016575 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 ONCC1=CC=CC=C1 CS-W005571 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 CS-M1815 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.7 CC(C)(CN)C1=CC=CC=C1 CS-D0358 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.12 OCC(CO)C1=CC=CC=C1 CS-W004830 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.16 C(C)=CC(=O)C1=CC=CC=C1 CS-W010991 [0,1,0,0,0,0|0,0,1]=2 36 B11R1.16 CCOC(=O)C1=CC=CC=N1 CS-W008053 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.16 CCOC(=O)C1=CC=NC=C1 CS-W020597 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.16 CCOC(=O)C1=CN=CC=C1 CS-W014344 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.16 CCOC(=O)C1=NC=CN=C1 CS-M0893 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 CS-W019696 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 CS-0038628 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS-W014980 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS-W016035 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.22 CNC(=O)C1=CC=C(Cl)N=C1 CS-W006347 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 CS-0030263 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS-W004846 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 CS-B1786 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS-W007781 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.22 COC(=O)C1=CC=C(F)N=C1 CS-W008583 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS-W007583 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS-W009283 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS-M0627 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS-W008071 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.22 COC(=O)C1=CNC(=O)C=N1 CS-M3260 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS-W004847 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS-W006118 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 CS-W018846 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS-0018830 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.22 COC(=O)C1=NC=C(F)C=N1 CS-0038962 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS-W009245 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 CS-W005175 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.22 COC(=O)C1=NN=C(O)C=C1 CS-0043958 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 CS-W022181 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 CS-0037604 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 CS-0089922 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS-W009314 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.23 CC1=CC([C@H](N)CO)=CC=C1 CS-0089919 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS-M2758 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.23 CNC(=O)C1=NC=CC(Cl)=C1 CS-M2759 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 CS-W007467 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 CS-W008679 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.23 COC(=O)C1=CC(Cl)=CN=C1 CS-0019209 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 CS-W006602 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.23 COC(=O)C1=CC(F)=CC=C1 CS-W019585 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.23 COC(=O)C1=CC(F)=NC=C1 CS-0043947 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS-W004679 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.23 COC(=O)C1=CC(N)=CN=C1 CS-W018097 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 CS-B1792 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.23 COC(=O)C1=CC=CC(O)=C1 CS-B0668 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.23 COC(=O)C1=CN=CC(C)=N1 CS-0061379 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS-M1028 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS-D1409 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS-W009002 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.23 COC(=O)C1=NC(F)=CC=C1 CS-W005576 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS-W004981 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS-W009166 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.23 COC(=O)C1=NC=CC(C)=C1 CS-0040863 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS-W008964 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.23 COC(=O)C1=NC=CC(N)=C1 CS-W001627 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.23 NNC(=O)C1=CC=CC(Cl)=C1 CS-W010776 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 CS-W020717 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 CS-0095532 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 CS-W020718 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.23 N\C(=N/O)C1=CC(Br)=CC=C1 CS-B1370 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.23 N\N=C(/O)C1=CC(Br)=CC=C1 CS-W014905 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 CS-W012301 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 CS-0094851 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040300 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CS-0040396 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.222 CNC(=O)C1=CC=CC=C1O CS-B1147 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.222 COC(=O)C1=C(Cl)N=CC=C1 CS-W022806 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.222 COC(=O)C1=C(I)C=NC=C1 CS-W022833 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.222 COC(=O)C1=CC=CC=C1Br CS-W007744 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.222 COC(=O)C1=CC=CC=C1Cl CS-B1788 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.222 COC(=O)C1=CC=CC=C1F CS-W018052 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.222 COC(=O)C1=CC=CC=C1I CS-W007334 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.222 COC(=O)C1=CC=CC=C1S CS-W017801 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.222 COC(=O)C1=CC=CN=C1Br CS-0096861 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.222 COC(=O)C1=CC=CN=C1F CS-D0953 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.222 COC(=O)C1=CC=CN=C1O CS-0097361 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.222 COC(=O)C1=CC=NC=C1Br CS-W004946 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.222 COC(=O)C1=CC=NC=C1Cl CS-0038405 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.222 COC(=O)C1=CN=CNC1=N CS-W005665 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.222 COC(=O)C1=NC=CC=C1F CS-0044449 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.222 COC(=O)C1=NC=CN=C1O CS-W022832 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.222 O=C(NO)C1=CC=CC=C1O CS-0014188 [0,1,0,0,0,0|2,0,0]=3 117 B11R2.1 BrC1=CSC2=CC=CC=C12 CS-W005311 [0,0,0,1,0,0|2,0,1]=4 118 B11R2.1 CC1=NNC2=C1C=CC=C2 CS-W019873 [0,0,0,1,0,0|3,0,0]=4 119 B11R2.1 ClC1=NOC2=C1C=CC=C2 CS-W019471 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.1 ClC1=NSC2=CC=CC=C21 CS-W016032 [0,0,0,1,0,0|3,0,0]=4 121 B11R2.1 NC1CCC2=C1C=CC=C2 CS-D1386 [0,0,0,1,0,0|1,0,1]=3 122 B11R2.1 O=C1NN=C2C=CC=CN12 CS-0046232 [0,0,0,1,0,0|3,0,0]=4 123 B11R2.1 O=C1OCC2=NC=CC=C12 CS-0030457 [0,0,0,1,0,0|2,0,0]=3 124 B11R2.1 OB1OCC2=CC=CC=C12 CS-0078606 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.1 OC1=NCC2=CC=CC=C21 CS-W004767 [0,0,0,1,0,0|1,0,1]=3 126 B11R2.1 OC1=NSC2=CC=CC=C21 CS-W018117 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.1 OC1CCC2=C1C=CC=C2 CS-0017842 [0,0,0,1,0,0|0,0,2]=3 128 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 CS-W013378 [0,0,0,1,0,0|0,0,2]=3 129 B11R2.1 [C@@H]1(N)CCC2=CC=CC=C21 CS-W005779 [0,0,0,1,0,0|1,0,1]=3 130 B11R2.40 NC1(C2=NC=CC=C2)CC1 CS-0044500 [0,0,0,1,0,0|2,0,1]=4 131 B9R1.11 COC(=O)C1=CN=CO1 CS-0044071 [0,0,0,0,1,0|3,0,0]=4 132 B9R1.11 COC(=O)C1=CN=CS1 CS-M1604 [0,0,0,0,1,0|3,0,0]=4 133 B9R1.11 COC(=O)C1=CNC=C1 CS-W008624 [0,0,0,0,1,0|2,0,0]=3 134 B9R1.11 COC(=O)C1=CNN=C1 CS-W005446 [0,0,0,0,1,0|3,0,0]=4 135 B9R1.11 COC(=O)C1=NC=CN1 CS-W005714 [0,0,0,0,1,0|3,0,0]=4 136 B9R1.11 O=C(CBr)C1=NC=CS1 CS-D0891 [0,0,0,0,1,0|3,0,0]=4 137 B11R1.40 COC(=O)CC1=CC=CC=C1 CS-W018528 [0,0,0,0,0,1|1,0,0]=2 138 B11R1.40 NCC(O)CC1=CC=CC=C1 CS-D0131 [0,0,0,0,0,1|1,0,2]=4 139 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CS-D1142 [0,0,0,0,0,1|2,0,1]=4 140 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,0,0,0,0,1|1,0,0]=2 141 B11R1.40 O=C(CCl)NC1=NC=CC=N1 CS-B1375 [0,0,0,0,0,1|3,0,0]=4 142 B8R1.2 CNC1=CC=NC=C1 CS-W013674 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 COC1=CC=CC=N1 CS-W009307 [2,0,0,0,0,0|2,0,0]=4 144 B8R1.2 COC1=CC=NC=C1 CS-W007634 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.2 CSC1=CC=CC=C1 CS-0015372 [2,0,0,0,0,0|1,0,0]=3 146 B8R1.2 ClCC1=CC=CC=N1 CS-W007502 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.2 ClCC1=CC=NC=C1 CS-W016094 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 NCC1=CC=CC=N1 CS-W007488 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 NCC1=CC=CN=C1 CS-W019701 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 O=CC1=CC=CC=N1 CS-W007336 [2,0,0,0,0,0|1,0,0]=3 151 B8R1.2 O=CC1=CC=NC=C1 CS-D1135 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.2 OCC1=CC=CN=C1 CS-4356 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.2 ONC1=CC=CC=C1 CS-W007515 [2,0,0,0,0,0|1,0,1]=4 154 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [1,1,0,0,0,0|0,0,0]=2 156 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.13 CC(=O)C1=CN=C(Cl)N=C1 CS-W021203 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS-W020082 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.13 CC(O)C1=CC=C(N)C=C1 CS-0044939 [1,1,0,0,0,0|0,0,2]=4 164 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS-W019205 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 CS-B0174 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 CS-B1284 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0231 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-B0690 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-B0688 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 CS-D0021 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS-W002389 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-0102805 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS-W017476 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS-W019509 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS-W022386 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.13 NC(=S)C1=CC=C(Cl)C=C1 CS-D1388 [1,1,0,0,0,0|1,1,0]=4 184 B10R1.13 O=C(O)C1=CC=C(Cl)N=C1 CS-D1204 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS-W016216 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.13 O=[N+]([O-])C1=CC=C(S)C=C1 CS-0055735 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.13 [C@@H](C)(O)C1=CC=C(F)C=C1 CS-W011033 [1,1,0,0,0,0|0,0,2]=4 188 B10R1.13 [C@H](C)(O)C1=CC=C(F)C=C1 CS-W011032 [1,1,0,0,0,0|0,0,2]=4 189 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS-W017639 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.61 CC(=O)C1=C(F)C=NC=C1 CS-W021221 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.61 CC(=O)C1=C(O)C=NC=C1 CS-B0938 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.61 CC(=O)C1=CC=CC=C1F CS-W020096 [1,1,0,0,0,0|0,0,0]=2 193 B10R1.61 CC(=O)C1=CC=CC=C1N CS-D1191 [1,1,0,0,0,0|0,0,0]=2 194 B10R1.61 CC(C)C1=CC=CC=C1I CS-W021342 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.61 CC1=CC=CC=C1C(N)=S CS-W018110 [1,1,0,0,0,0|1,1,0]=4 196 B10R1.61 CC1=CC=CN=C1C(=O)O CS-0063141 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 CS-0000328 [1,1,0,0,0,0|1,0,1]=4 198 B10R1.61 C[C@@H](O)C1=CC=CC=C1F CS-0085730 [1,1,0,0,0,0|0,0,2]=4 199 B10R1.61 C[C@H](N)C1=CC=CC=C1F CS-0031394 [1,1,0,0,0,0|1,0,1]=4 200 B10R1.61 C[C@H](N)C1=CC=CC=C1F CS-D0618 [1,1,0,0,0,0|1,0,1]=4 201 B10R1.61 N=C(N)C1=CC=CC=C1F CS-0019235 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CS-0094470 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.61 NC(=O)C1=CC=CN=C1N CS-M0989 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.61 NC(=O)C1=CC=NC=C1N CS-W005498 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.61 NC1=NC=CC=C1C(=O)O CS-W008765 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS-D0803 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.61 O=C(O)C1=CC=CC=C1Cl CS-B1789 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.61 O=C(O)C1=CC=CC=C1I CS-D0909 [1,1,0,0,0,0|1,0,0]=3 209 B10R1.61 O=C(O)C1=CC=CNC1=O CS-W018547 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.61 O=C(O)C1=CNC=CC1=O CS-W007951 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.61 [C@@H](C)(O)C1=CC=CC=C1F CS-0044022 [1,1,0,0,0,0|0,0,2]=4 212 B10R1.61 [C@H](C)(N)C1=CC=CC=C1F CS-0043725 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 CS-0042748 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [1,1,0,0,0,0|0,0,0]=2 215 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS-W013353 [1,1,0,0,0,0|0,0,0]=2 216 B10R1.113 CC(=O)C1=CC=CC(F)=C1 CS-D1392 [1,1,0,0,0,0|0,0,0]=2 217 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS-D0743 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.113 CC(=O)C1=NC(N)=NC=C1 CS-0031410 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.113 CC(C)C1=CC(Br)=CC=C1 CS-W010514 [1,1,0,0,0,0|1,0,1]=4 220 B10R1.113 CC(N)C1=CC=CC(Br)=C1 CS-M2202 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS-W021257 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.113 CN(C)C1=CC=CC(Br)=C1 CS-W008533 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.113 C[C@@H](N)C1=CC(Br)=CC=C1 CS-W008570 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 CS-0000296 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.113 C[C@H](N)C1=CC(Br)=CC=C1 CS-B0179 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 CS-B0172 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 CS-D1558 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.113 O=C(O)C1=CC(F)=CN=C1 CS-W016443 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.113 O=C(O)C1=CC(O)=CN=C1 CS-W009148 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.113 O=C(O)C1=CC=CC(I)=C1 CS-W009273 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.113 O=C(O)C1=CC=NC(Cl)=C1 CS-W020044 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS-W006791 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.113 O=N(=O)C1=CC=CC(F)=C1 CS-W018306 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.1 NCCC1=CC=C(F)C=C1 CS-W018312 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.1 NCCC1=CC=C(N)C=C1 CS-W021984 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.1 OCCC1=CC=C(Br)C=C1 CS-W004747 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.1 OCCC1=CC=C(I)C=C1 CS-W004990 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.4 CNCC1=CC=CC=C1Br CS-0031414 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.4 CNCC1=CC=CC=C1C CS-0045339 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.4 CNCC1=CC=CC=C1F CS-W005782 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.4 ClC1=CC=CC=C1CCBr CS-0081877 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.4 NCCC1=C(Cl)C=CC=C1 CS-W019353 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.4 NCCC1=CC=CC=C1Br CS-W013200 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.4 OCCC1=CC=CC=C1Cl CS-W017988 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.4 OCCC1=CC=CC=C1I CS-0045354 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.10 OCCC1=CC(F)=CC=C1 CS-W021390 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.17 BrCCOC1=CC=CC=C1 CS-W015572 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.17 CCOCC1=CC=CC=C1 CS-W018329 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.17 ClCCSC1=CC=CC=C1 CS-M0048 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0009609 [1,1,0,0,0,0|0,0,2]=4 252 B10R1.17 OCCCC1=NC=CC=C1 CS-0079867 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.11 CCOC(=O)C1=COC=C1 CS-W020542 [0,1,0,0,1,0|1,0,0]=3 254 B10R1.11 CCOC(=O)C1=CON=C1 CS-0049560 [0,1,0,0,1,0|2,0,0]=4 255 B10R1.11 N#CCC(=O)C1=CC=CN1 CS-0038494 [0,1,0,0,1,0|1,0,1]=4 256 B10R1.11 N#CCC(=O)C1=CC=CO1 CS-W013361 [0,1,0,0,1,0|1,0,1]=4 257 B10R1.14 CCC(=O)C1=CC=C(Br)S1 CS-0046834 [0,1,0,0,1,0|1,0,0]=3 258 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS-W007392 [0,1,0,0,1,0|2,0,0]=4 259 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS-W022849 [0,1,0,0,1,0|2,0,0]=4 260 B10R1.14 COC(=O)C1=CC=C(C)O1 CS-W005869 [0,1,0,0,1,0|2,0,0]=4 261 B10R1.14 COC(=O)C1=COC(C)=C1 CS-W022870 [0,1,0,0,1,0|2,0,0]=4 262 B10R1.149 COC(=O)C1=C(Br)SC=C1 CS-W018777 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.149 COC(=O)C1=C(Cl)C=CS1 CS-W017390 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.149 COC(=O)C1=C(N)SC=C1 CS-W007343 [0,1,0,0,1,0|2,0,0]=4 265 B10R1.149 COC(=O)C1=COC=C1Br CS-0101706 [0,1,0,0,1,0|2,0,0]=4 266 B10R1.149 COC(=O)C1=CSC=C1Br CS-0030445 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.32 CCOC(=O)CC1=CC=CC=C1 CS-W016087 [0,1,0,0,0,1|0,0,0]=2 268 B12R1.32 CCOC(=O)CC1=CC=NC=C1 CS-W017889 [0,1,0,0,0,1|1,0,0]=3 269 B12R1.32 CCOC(=O)NC1=CC=NC=C1 CS-0028344 [0,1,0,0,0,1|1,0,0]=3 270 B12R1.32 CN(CCO)CC1=CC=CC=C1 CS-W023196 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [0,1,0,0,0,1|1,0,0]=3 272 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [0,1,0,0,0,1|1,0,0]=3 273 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [0,1,0,0,0,1|1,0,0]=3 274 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [0,1,0,0,0,1|1,0,0]=3 275 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-0039978 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 CS-0064109 [0,1,0,0,0,1|1,0,0]=3 277 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [0,1,0,0,0,1|1,0,0]=3 278 B12R1.50 O=C(CCl)NC1=CC=CC(F)=C1 CS-B1389 [0,1,0,0,0,1|1,0,0]=3 279 B12R1.118 CCN(CC)CC1=CC=CC=C1 CS-0015347 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 CS-0102202 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,1,0,0,0,1|1,0,0]=3 282 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,1,0,0,0,1|1,0,0]=3 283 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 CS-M3531 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.253 O=S(=O)(C1=CC=CC=C1)C(F)F CS-W007530 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 CS-W010811 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 CS-W017075 [0,2,0,0,0,0|0,0,0]=2 287 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 CS-0034666 [0,2,0,0,0,0|0,0,0]=2 288 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS-W007730 [0,2,0,0,0,0|0,0,0]=2 289 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS-W016987 [0,2,0,0,0,0|0,0,0]=2 290 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CS-W007981 [0,2,0,0,0,0|0,0,0]=2 291 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 CS-W019557 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.16 CCOC(=O)C1=CN=C(N)C=N1 CS-W006179 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.16 CCOC(=O)C1=NN=C(Cl)C=C1 CS-D1635 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 CS-B0665 [0,2,0,0,0,0|0,0,1]=3 295 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 CS-0101763 [0,2,0,0,0,0|1,0,1]=4 296 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 CS-W005246 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.17 CCOC(=O)C1=CC(C)=NC=C1 CS-0061579 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 CS-B1378 [0,2,0,0,0,0|0,0,0]=2 299 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS-D1173 [0,2,0,0,0,0|1,0,0]=3 300 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 CS-W017877 [0,2,0,0,0,0|0,0,0]=2 301 B12R1.17 CCOC(=O)C1=CC=CC(F)=C1 CS-W020154 [0,2,0,0,0,0|0,0,0]=2 302 B12R1.17 CCOC(=O)C1=CN=CC(Cl)=N1 CS-W022715 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 CS-0045655 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.17 CCOC(=O)C1=NC=CC(Br)=C1 CS-0041851 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.30 NC(CCCO)C1=CC=CC=C1 CS-0028348 [0,2,0,0,0,0|1,0,1]=4 306 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CS-B1729 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [0,2,0,0,0,0|0,0,0]=2 308 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS-W016932 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.308 CCOC(=O)C1=CC=CC=C1Br CS-0097784 [0,2,0,0,0,0|0,0,0]=2 311 B12R1.308 CCOC(=O)C1=CC=NC=C1Cl CS-0042812 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.308 CCOC(=O)C1=CC=NC=C1N CS-D0762 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.308 CCOC(=O)C1=CN=CN=C1O CS-0090766 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.308 CCOC(=O)C1=CN=CNC1=O CS-W000639 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl CS-0042811 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.5 C(=O)C1=CC=C(C(=O)OC)C=C1 CS-W009013 [0,2,0,0,0,0|1,0,0]=3 317 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 CS-0054096 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 CS-W016981 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.5 COC1=CC=C(C(=O)CCl)C=N1 CS-W020535 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 CS-0105543 [0,2,0,0,0,0|0,0,0]=2 321 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 CS-0097734 [0,2,0,0,0,0|1,0,0]=3 322 B12R1.20 CN(C)C(=O)C1=CN=C(Cl)C=C1 CS-W016976 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 CS-W005915 [0,2,0,0,0,0|1,0,0]=3 324 B12R1.367 COC(=O)C1=CC(Br)=C(N)N=C1 CS-W003325 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.367 COC(=O)C1=CC(C)=C(N)N=C1 CS-0100539 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 CS-W007871 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 CS-M0954 [0,2,0,0,0,0|1,0,0]=3 328 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 CS-W019434 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 CS-W008063 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 CS-W007431 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.367 COC(=O)C1=CC=C(Br)C(Cl)=C1 CS-0036923 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=C1 CS-0095864 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.367 COC(=O)C1=CC=C(Cl)C(I)=C1 CS-0094444 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.367 COC(=O)C1=CC=C(I)C(O)=C1 CS-W018915 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.367 COC(=O)C1=CC=C(O)C(I)=C1 CS-W019910 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS-W022878 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 CS-W016884 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.1703 CNC(=O)C1=CC=C(Br)C=C1F CS-0008505 [0,2,0,0,0,0|1,0,0]=3 339 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 CS-W005363 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 CS-0041219 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 CS-W018864 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.1703 COC(=O)C1=C(Cl)N=C(C)C=C1 CS-W022805 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.1703 COC(=O)C1=C(Cl)N=C(Cl)C=C1 CS-W005384 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 CS-W008400 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 CS-W017871 [0,2,0,0,0,0|1,0,0]=3 346 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 CS-W010792 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1Br CS-W018703 [0,2,0,0,0,0|1,0,0]=3 348 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Br CS-0041853 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.1703 COC(=O)C1=CC=C(N)N=C1C CS-0061193 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.1703 COC(=O)C1=CC=C(O)C=C1C CS-0038132 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O CS-0061857 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.1703 O=C(CBr)C1=CC=C(F)C=C1F CS-W012898 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.24 COC(=O)C1=C(Br)C(N)=CC=C1 CS-W006317 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.24 COC(=O)C1=C(F)C(Br)=NC=C1 CS-0101620 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.24 COC(=O)C1=C(F)C(Cl)=NC=C1 CS-0034231 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.24 COC(=O)C1=C(O)C(Cl)=CC=C1 CS-W006044 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.24 COC(=O)C1=CC=CC(Br)=C1F CS-W009161 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.24 COC(=O)C1=CC=CC(C)=C1F CS-W022807 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1C CS-0101995 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.24 COC(=O)C1=CC=CC(F)=C1Br CS-0096404 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.24 COC(=O)C1=CC=CC(I)=C1C CS-0036226 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.24 COC(=O)C1=CN=CC(Br)=C1C CS-0046926 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.24 COC(=O)C1=NC=CC(Cl)=C1C CS-W018905 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 CS-0041879 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.354 CCC(=O)C1=CC(F)=CC=C1F CS-0101885 [0,2,0,0,0,0|0,0,0]=2 366 B12R1.354 COC(=O)C1=C(Br)C=CC(I)=C1 CS-0037222 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.354 COC(=O)C1=C(Br)C=CC(N)=C1 CS-W005932 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 CS-0037729 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.354 COC(=O)C1=C(Cl)C=NC(Br)=C1 CS-D0439 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.354 COC(=O)C1=C(Cl)N=CC(Br)=C1 CS-D1791 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.354 COC(=O)C1=C(Cl)N=CC(Cl)=C1 CS-W005635 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 CS-W006328 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 CS-0032319 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 CS-W007783 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.354 COC(=O)C1=C(N)C=CC(O)=C1 CS-W006604 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 CS-W004768 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 CS-W005914 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Cl CS-0097740 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.354 COC(=O)C1=CC(Br)=NC=C1N CS-0040927 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O CS-W023093 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1Br CS-0035216 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.354 COC(=O)C1=CC(I)=CNC1=O CS-0041200 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl CS-0042707 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.354 COC(=O)C1=NC(Br)=CC=C1N CS-0059302 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.354 COC(=O)C1=NC(C)=CC=C1O CS-0096410 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C CS-W008840 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.354 COC(=O)C1=NC(N)=CC=C1Br CS-0041829 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.354 O=C(CCl)C1=CC(F)=CC=C1F CS-W021631 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.354 O=C(NO)C1=C(O)C=CC(Cl)=C1 CS-0061689 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.358 COC(=O)C1=CC(Br)=CC(C)=C1 CS-0031443 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 CS-D0956 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.358 COC(=O)C1=CC(O)=CC(O)=C1 CS-W019992 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.358 COC(=O)C1=NC(Cl)=CC(Cl)=C1 CS-W005398 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.358 O=C(CBr)C1=CC(F)=CC(F)=C1 CS-M0153 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 CS-W005738 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 CS-W022828 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.435 COC(=O)C1=CC(C#N)=NC=C1 CS-W006243 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 CS-W006156 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.435 COC(=O)C1=CC=CC(CO)=C1 CS-0096392 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 CS-0005486 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.124 CC(C)C(=O)C1=CC=CC=C1F CS-0101621 [0,2,0,0,0,0|0,0,0]=2 402 B12R1.564 O=C(C1=CC=CC=C1)C(F)(F)F CS-0031430 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.564 O=C(C1=CC=CN=C1)C(F)(F)F CS-0063929 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.77 COC(=O)C1=CC=CC=C1C=O CS-W004677 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.77 COC(=O)C1=NC=CC=C1OC CS-W022834 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.77 COC1=CC=CC=C1C(=O)CBr CS-W012983 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.3441 COC(=O)C1=C(F)N=CC=C1I CS-W022808 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.3441 COC(=O)C1=C(I)C=CC=C1F CS-0030469 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.3441 COC(=O)C1=C(I)C=CN=C1Cl CS-W016713 [0,2,0,0,0,0|2,0,0]=4 410 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 CS-W013577 [1,0,0,1,0,0|0,0,2]=4 411 B10R2.6 [C@H]1(C2=CC=CC=C2)CO1 CS-W011206 [1,0,0,1,0,0|0,0,2]=4 412 B10R2.7 C1=CC2=C(C=C1)CNC2 CS-D1516 [1,0,0,1,0,0|1,0,1]=4 413 B10R2.7 C1=CC2=C(C=C1)NCC2 CS-W009145 [1,0,0,1,0,0|1,0,0]=3 414 B10R2.7 C1=CC2=C(C=N1)NCC2 CS-W021490 [1,0,0,1,0,0|2,0,0]=4 415 B10R2.7 C1=CC=C2NN=CC2=C1 CS-W008689 [1,0,0,1,0,0|2,0,0]=4 416 B10R2.7 C1=CC=C2OCOC2=C1 CS-W020572 [1,0,0,1,0,0|2,0,0]=4 417 B10R2.7 C1=CC=C2SC=CC2=C1 CS-D1193 [1,0,0,1,0,0|1,0,1]=4 418 B10R2.7 C1=CN=C2NCCC2=C1 CS-M0806 [1,0,0,1,0,0|2,0,0]=4 419 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 CS-W010999 [0,0,0,1,0,1|1,0,1]=4 420 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 CS-0038976 [0,0,0,1,0,1|2,0,0]=4 421 B12R2.24 CC1CCC2=CC=CC=C2N1 CS-W019554 [0,0,0,1,0,1|1,0,1]=4 422 B12R2.24 NC1CCC2=CC=CC=C2C1 CS-W006188 [0,0,0,1,0,1|1,0,1]=4 423 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [0,0,0,1,0,1|1,0,1]=4 424 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [0,0,0,1,0,1|1,0,0]=3 425 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 CS-0046843 [0,0,0,1,0,1|1,0,0]=3 426 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [0,0,0,1,0,1|1,0,0]=3 427 B12R2.32 CSC1=NC2=CC=CC=C2O1 CS-W021447 [0,0,0,1,0,1|1,0,1]=4 428 B12R2.32 ClCC1=NC2=CC=CC=C2N1 CS-M0360 [0,0,0,1,0,1|2,0,0]=4 429 B12R2.32 ClCC1=NC2=CC=CC=C2S1 CS-D1746 [0,0,0,1,0,1|1,1,0]=4 430 B12R2.32 NCC1=NC2=CC=CC=C2N1 CS-W005436 [0,0,0,1,0,1|2,0,0]=4 431 B12R2.32 OCC1=CC2=CC=CC=C2S1 CS-W017901 [0,0,0,1,0,1|1,1,0]=4 432 B12R2.32 OCC1=NC2=CC=CC=C2S1 CS-W017888 [0,0,0,1,0,1|1,1,0]=4 433 B12R2.1 NCC1=CNC2=C1C=CC=C2 CS-D1572 [0,1,0,1,0,0|2,0,0]=4 434 B12R2.1 O=CC1=NNC2=C1C=CC=C2 CS-W019812 [0,1,0,1,0,0|2,0,0]=4 435 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 CS-0036537 [0,1,0,1,0,0|0,0,1]=3 436 B12R2.2 C1=CC=C(C2CCNC2)C=C1 CS-0046245 [0,1,0,1,0,0|1,0,1]=4 437 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 CS-0038202 [0,1,0,1,0,0|1,0,1]=4 438 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 CS-W006442 [0,1,0,1,0,0|1,0,1]=4 439 B12R2.1081 NC1CCOC2=C1C=CC=C2 CS-WAA0254 [0,1,0,1,0,0|1,0,1]=4 440 B12R2.1081 NC1COCC2=CC=CC=C21 CS-0096164 [0,1,0,1,0,0|1,0,1]=4 441 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 CS-W007717 [0,1,0,1,0,0|1,0,1]=4 442 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS-W022523 [0,1,0,1,0,0|1,0,0]=3 443 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS-D1458 [0,1,0,1,0,0|1,0,0]=3 444 B12R2.1081 O=C1CCNC2=C1C=CC=C2 CS-W021492 [0,1,0,1,0,0|0,0,0]=2 445 B12R2.1081 O=C1CSCC2=CC=CC=C12 CS-0063869 [0,1,0,1,0,0|0,0,0]=2 446 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 CS-D1081 [0,1,0,1,0,0|2,0,0]=4 447 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 CS-B1579 [0,1,0,1,0,0|2,0,0]=4 448 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101638 [0,1,0,1,0,0|1,0,1]=4 449 B12R2.612 N[C@@H]1CCC2=C1C=CC(Cl)=C2 CS-0102157 [0,1,0,1,0,0|1,0,1]=4 450 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 CS-0102159 [0,1,0,1,0,0|1,0,1]=4 451 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS-D0685 [0,1,0,1,0,0|0,0,0]=2 452 B12R2.612 O=C1CCC2=CC(I)=CC=C12 CS-0001932 [0,1,0,1,0,0|0,0,0]=2 453 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 CS-D1613 [0,1,0,1,0,0|1,0,0]=3 454 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 CS-WAA0329 [0,1,0,1,0,0|1,0,0]=3 455 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS-W007667 [0,1,0,1,0,0|1,0,0]=3 456 B12R2.612 OC1CCC2=C1C=CC(F)=C2 CS-0101616 [0,1,0,1,0,0|0,0,2]=4 457 B12R2.612 OC1CCC2=CC(Cl)=CC=C21 CS-W006473 [0,1,0,1,0,0|0,0,2]=4 458 B12R2.132 NC1CCC2=C1C=C(Br)C=C2 CS-0101126 [0,1,0,1,0,0|1,0,1]=4 459 B12R2.132 O=C1CCC2=C1C=C(F)C=C2 CS-0001933 [0,1,0,1,0,0|0,0,0]=2 460 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 CS-W007571 [0,1,0,1,0,0|0,0,0]=2 461 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 CS-W019488 [0,1,0,1,0,0|1,0,0]=3 462 B12R2.132 O=C1N=CC2=C1C=C(O)C=C2 CS-W022503 [0,1,0,1,0,0|1,0,1]=4 463 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 CS-0046256 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 CS-0035468 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 CS-0042135 [0,1,0,1,0,0|0,0,2]=4 466 B12R2.196 CC1=CC=CC2=C1ONC2=O CS-0030212 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 CS-0001931 [0,1,0,1,0,0|0,0,0]=2 468 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 CS-D0684 [0,1,0,1,0,0|0,0,0]=2 469 B12R2.196 O=C1COC2=C(Br)C=CC=C12 CS-W022534 [0,1,0,1,0,0|1,0,0]=3 470 B12R2.196 O=C1NCC2=C(Br)C=CC=C12 CS-W018932 [0,1,0,1,0,0|1,0,0]=3 471 B12R2.1282 NC1(C2=CC=CC(Br)=C2)CC1 CS-0002326 [0,1,0,1,0,0|1,0,1]=4 472 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 CS-0002336 [0,1,0,1,0,0|1,0,1]=4 473 B12R2.88 NC1(C2=CC=CC=C2Br)CC1 CS-0002321 [0,1,0,1,0,0|1,0,1]=4 474 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 CS-W008299 [0,1,0,1,0,0|0,0,0]=2 475 B12R2.203 O=C1CCC2=CC=CC(Br)=C12 CS-D0687 [0,1,0,1,0,0|0,0,0]=2 476 B12R2.203 O=C1NCC2=C1C(Br)=CC=C2 CS-0043271 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.7 CC(=O)C1=CC=NN1 CS-0036771 [1,0,0,0,1,0|2,0,0]=4 478 B8R1.7 CC(=O)C1=CNC=C1 CS-W005542 [1,0,0,0,1,0|1,0,0]=3 479 B8R1.7 O=C(O)C1=CC=CS1 CS-W020070 [1,0,0,0,1,0|2,0,0]=4 480 B8R1.7 O=C([O-])C1=CC=CS1 CS-W000340 [1,0,0,0,1,0|2,0,0]=4 481 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,0,0,0,0,2|2,0,0]=4 482 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,0,0,0,0,2|2,0,0]=4 483 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,0,0,0,0,2|1,0,0]=3 484 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,0,0,0,0,2|1,0,0]=3