0 B10R1.15 C=CS(=O)C1=CC=CC=C1 CS-0081516 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 N\N=C(/O)C1=CN=CC=C1 CS-W013333 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.6 CC(N)C1=CC=NC=C1 CS-D0736 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.6 CC(N)C1=NC=CN=C1 CS-B0644 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 CN(C)C1=CC=NC=C1 CS-W008903 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.6 C[C@@H](N)C1=NC=CC=C1 CS-M2154 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [1,0,0,0,0,0|0,0,2]=3 16 B9R1.8 N#CCC1=CC=CC=N1 CS-W019430 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.12 COC(CO)C1=CC=CC=C1 CS-0028761 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.12 COC(OC)C1=CC=CC=C1 CS-Z0014 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CS-W004658 [0,1,0,0,0,0|0,0,3]=4 22 B11R1.16 [C@H](O)(CCCl)C1=CC=CC=C1 CS-W017667 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 CS-W007335 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS-0059258 [0,1,0,0,0,0|0,0,2]=3 25 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 CS-W018773 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-0008417 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 COC(=O)C1=CC=C(C)C=C1 CS-M1189 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 CS-0028246 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS-W005465 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 CS-W021159 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 CS-W014906 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,1,0,0,0,0|0,0,3]=4 33 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CS-W019313 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.36 O=C(C1=CC=CC=C1)C(F)F CS-0095863 [0,1,0,0,0,0|1,0,2]=4 37 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.222 COC(=O)C1=CC=CC=C1N CS-W019645 [0,1,0,0,0,0|1,0,2]=4 39 B11R2.1 NC1=NCC2=C1C=CC=C2 CS-0102029 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.1 N[C@H]1CCC2=CC=CC=C21 CS-M1707 [0,0,0,1,0,0|1,0,0]=2 41 B11R2.1 O=C1CCC2=C1C=CC=N2 CS-W005016 [0,0,0,1,0,0|1,0,2]=4 42 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [0,0,0,1,0,0|0,0,0]=1 43 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0486 [0,0,0,1,0,0|1,0,0]=2 44 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [0,0,0,0,0,1|2,0,0]=3 45 B8R1.2 CCC1=NC=CN=C1 CS-W021688 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 COC1=CN=CC=C1 CS-W008119 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 ICC1=CC=CC=C1 CS-W005987 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 NCC1=CC=NC=C1 CS-W007632 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 NNC1=CC=CC=C1 CS-W014355 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.2 NOC1=CC=CC=C1 CS-0022011 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 OCC1=CC=NC=C1 CS-W007605 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 OCC1=CN=CC=N1 CS-W018634 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 OCC1=NC=CC=C1 CS-W020042 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 OCC1=NC=CC=N1 CS-D1205 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 OCC1=NC=NC=C1 CS-W018611 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [1,1,0,0,0,0|0,0,2]=4 58 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [1,1,0,0,0,0|0,0,2]=4 59 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS-W019945 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.13 CC(C)C1=NC=C(N)C=C1 CS-W005813 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS-W019475 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-M0647 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS-D1103 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS-D1375 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.28 CC(C)(N)C1=CC=CC=C1 CS-W004689 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 CC(=O)C1=CC=CC=C1C CS-W013374 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.61 CC(=O)C1=CC=CC=C1Cl CS-W010929 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.61 CC(=O)C1=CC=CC=C1I CS-W007878 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS-M1701 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.61 CN(C)C1=CC=CC=C1Br CS-0015849 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.61 C[C@H](N)C1=CC=CC=C1Br CS-0000338 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.61 NC1=CC=CC=C1B(O)O CS-W008208 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.61 O=C(O)C1=CC=CC=C1F CS-W019975 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.113 CC(N)C1=CC(O)=CC=C1 CS-M0013 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 CS-W007109 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS-W021308 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.113 NC1=CC(C(=O)O)=CC=C1 CS-W019987 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS-W016469 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 CS-W019787 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.113 OB(O)C1=CC=CC(F)=C1 CS-D1463 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.1 C=CCC1=CC=C(C)C=C1 CS-0109480 [1,1,0,0,0,0|0,0,2]=4 90 B10R1.1 CC1=CC=C(CC#N)C=C1 CS-W020586 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.1 CCOC1=CC=C(Br)N=C1 CS-0038554 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.1 N#CCC1=CC=C(Cl)C=C1 CS-W018106 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-B1210 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.4 CC1=CC=CC=C1CC#N CS-W019570 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.4 CC1=CC=CC=C1CCO CS-W021450 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.4 CCOC1=CC=CC=C1O CS-0040351 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.4 COCC1=CC=CC=C1O CS-W021443 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.4 N#CCC1=CC=CC=C1Br CS-W019568 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.4 N#CCC1=CC=CC=C1Cl CS-W020135 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.10 CC1=CC(CC#N)=CC=C1 CS-W005445 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS-W018107 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.10 NCCC1=CC(Cl)=CC=C1 CS-W005099 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.10 OCCC1=CC(Br)=CC=C1 CS-W007864 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [1,1,0,0,0,0|0,0,1]=3 107 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [1,1,0,0,0,0|0,0,2]=4 108 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.17 OCC#CC1=CC=CC=C1 CS-W007420 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.18 CC(C)NC1=CC=CC=C1 CS-W019925 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.18 CC(C)OC1=CC=CN=C1 CS-0028731 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.9 CCS(=O)(=O)C1=CC=C(Br)C=C1 CS-0094483 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 CS-M0047 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.475 COP(=O)(OC)C1=CC=CC=C1 CS-W022633 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CS-0059225 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 CS-W020602 [0,2,0,0,0,0|0,0,2]=4 118 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS-W017810 [0,2,0,0,0,0|0,0,2]=4 119 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS-0031428 [0,2,0,0,0,0|0,0,2]=4 120 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [0,2,0,0,0,0|0,0,1]=3 122 B12R1.308 CCNC(=O)C1=C(Br)C=CC=C1 CS-0037638 [0,2,0,0,0,0|0,0,2]=4 123 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 CS-W012184 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.20 CC1=CC=C(C(=O)C(C)Br)C=C1 CS-0102565 [0,2,0,0,0,0|0,0,2]=4 125 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS-0059256 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS-0005775 [0,2,0,0,0,0|0,0,2]=4 128 B12R1.564 O[C@@H](C1=CC=CC=C1)C(F)(F)F CS-0034203 [0,2,0,0,0,0|1,0,0]=3 129 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [1,0,0,1,0,0|0,0,2]=4 130 B10R2.7 C1=CC2=C(C=C1)SCS2 CS-0040606 [1,0,0,1,0,0|2,0,0]=4 131 B10R2.7 C1=CC=C2OCCC2=C1 CS-M0160 [1,0,0,1,0,0|1,0,0]=3 132 B10R2.7 C1=NC=C2CNCC2=C1 CS-W003872 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.32 CCC1=NC2=CC=CC=C2N1 CS-0030568 [0,0,0,1,0,1|1,0,1]=4 134 B12R2.32 CCC1=NC2=NC=CC=C2O1 CS-0030441 [0,0,0,1,0,1|1,0,1]=4 135 B12R2.32 OCC1=CC2=CC=CC=C2O1 CS-0062599 [0,0,0,1,0,1|1,0,1]=4 136 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 CS-W019081 [0,0,0,1,0,1|1,0,1]=4 137 B12R2.32 OCC1CC2=CC=CC=C2O1 CS-0031351 [0,0,0,1,0,1|1,0,0]=3 138 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 CS-0038250 [0,1,0,1,0,0|1,0,0]=3 139 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS-W021366 [0,1,0,1,0,0|1,0,0]=3 140 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS-W008926 [0,1,0,1,0,0|1,0,0]=3 141 B12R2.1081 NC1CCOC2=C1C=CC=C2 CS-W019884 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS-D0598 [0,1,0,1,0,0|0,0,2]=4 143 B12R2.290 NC1(C2=CC=C(Br)C=C2)CC1 CS-W020620 [0,1,0,1,0,0|1,0,0]=3 144 B12R2.612 O=C1CCC2=CC(F)=CC=C12 CS-W008930 [0,1,0,1,0,0|0,0,2]=4 145 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 CS-D0208 [0,1,0,1,0,0|0,0,2]=4 146 B12R2.196 O=C1CCC2=C(F)C=CC=C12 CS-0001929 [0,1,0,1,0,0|0,0,2]=4 147 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 CS-W020618 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 CS-B0435 [0,1,0,1,0,0|0,0,2]=4 149 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 CS-M1051 [0,0,0,0,0,2|2,0,0]=4