0 B10R1.15 C=CS(=O)C1=CC=CC=C1 CS-0081516 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 N[C@H](CO)C1=CC=CC=C1 CS-W008706 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 CC(=O)C1=NC=CC=C1 CS-W008602 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.6 CC(N)C1=CC=NC=C1 CS-D0736 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 CC(N)C1=NC=CN=C1 CS-B0644 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 CN(C)C1=CC=NC=C1 CS-W008903 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.6 CS(=O)C1=CC=CC=C1 CS-0046805 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 C[C@@H](N)C1=NC=CC=C1 CS-M2154 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 C[C@H](N)C1=CC=CC=C1 CS-W019840 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 O=S([O-])C1=CC=CC=C1 CS-W014314 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 BrCCC1=CC=CC=C1 CS-W019955 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 CNCC1=CC=CC=C1 CS-W007426 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 C\C=C\C1=CC=CC=C1 CS-0069845 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 N#CCC1=CC=CC=N1 CS-W019430 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 NOCC1=CC=CC=C1 CS-W008955 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 O=C=NC1=NC=CC=C1 CS-B1694 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 O\N=C\C1=CC=CC=C1 CS-0034180 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.12 COC(CO)C1=CC=CC=C1 CS-0028761 [0,1,0,0,0,0|0,0,2]=3 19 B11R1.12 COC(OC)C1=CC=CC=C1 CS-Z0014 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.16 [C@H](O)(CCCl)C1=CC=CC=C1 CS-W017667 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 CS-0028246 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 CS-W021159 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CS-W019544 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CS-W019313 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS-W010964 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CS-W018122 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CS-D1423 [0,1,0,0,0,0|1,0,0]=2 28 B11R2.1 CC1=CNC2=NC=CC=C12 CS-B0512 [0,0,0,1,0,0|2,0,1]=4 29 B11R2.1 N[C@H]1CCC2=CC=CC=C21 CS-M1707 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0486 [0,0,0,1,0,0|2,0,1]=4 32 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [0,0,0,0,0,1|2,0,1]=4 33 B11R1.40 NC(CO)CC1=CC=CC=C1 CS-W019002 [0,0,0,0,0,1|1,0,2]=4 34 B8R1.2 CCC1=NC=CN=C1 CS-W021688 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.2 CNC1=CN=CC=C1 CS-W005202 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.2 COC1=CN=CC=C1 CS-W008119 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.2 ICC1=CC=CC=C1 CS-W005987 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.2 NCC1=CC=NC=C1 CS-W007632 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 NNC1=CC=CC=C1 CS-W014355 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NOC1=CC=CC=C1 CS-0022011 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 O=CC1=CC=CN=C1 CS-D1122 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 O=CC1=NC=NC=C1 CS-W004778 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 OCC1=CC=NC=C1 CS-W007605 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 OCC1=NC=CC=C1 CS-W020042 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS-W020546 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS-W013369 [1,1,0,0,0,0|0,0,1]=3 47 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS-W020117 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS-W019945 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.13 CC(C)C1=NC=C(N)C=C1 CS-W005813 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS-W019475 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS-B1315 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 CS-M0647 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 Cc1ccc(C(C)C)cc1 CS-0016226 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.13 O=S([O-])C1=CC=C(F)C=C1 CS-W005156 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS-W008789 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.28 CC(C)(N)C1=CC=CC=C1 CS-W004689 [1,1,0,0,0,0|0,0,1]=3 61 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS-W020081 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.61 CC(=O)C1=CC=CC=C1C CS-W013374 [1,1,0,0,0,0|0,0,1]=3 63 B10R1.61 CC(=O)C1=CC=CC=C1Cl CS-W010929 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.61 CC(=O)C1=CC=CC=C1I CS-W007878 [1,1,0,0,0,0|0,0,1]=3 65 B10R1.61 CC(=O)C1=CC=CN=C1N CS-0002197 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.61 CC(=O)C1=NC=CC=C1F CS-W021536 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS-M1701 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.61 CN(C)C1=CC=CC=C1Br CS-0015849 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.61 C[C@H](N)C1=CC=CC=C1Br CS-0000338 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 NC(=O)C1=CC=CC=C1Br CS-0038446 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.61 O=C(O)C1=CC=CC=C1F CS-W019975 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.61 O=[N+]([O-])C1=CC=CC=C1F CS-W008586 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.113 CC(=O)C1=CC(F)=CN=C1 CS-0046260 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.113 CC(=O)C1=CC(I)=CC=C1 CS-W010241 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 CS-W009131 [1,1,0,0,0,0|0,0,1]=3 77 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS-W013375 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.113 CC(=O)C1=CC=CC(O)=C1 CS-0015375 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.113 CC(=O)C1=NC=CC(C)=C1 CS-W013352 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.113 CC(N)C1=CC(O)=CC=C1 CS-M0013 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 CS-W007109 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.113 FC(F)C1=CC=CC(Br)=C1 CS-W021308 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 CS-W021882 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.113 NC1=CC(C(=O)O)=CC=C1 CS-W019987 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS-W016469 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 CS-W019787 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.1 C=CCC1=CC=C(C)C=C1 CS-0109480 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.1 CC1=CC=C(CC#N)C=C1 CS-W020586 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.1 CCCC1=CC=C(N)C=C1 CS-W013343 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.1 N#CCC1=CC=C(Cl)C=C1 CS-W018106 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-B1210 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.4 CC1=CC=CC=C1CC#N CS-W019570 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.4 CC1=CC=CC=C1CCO CS-W021450 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.4 COCC1=CC=CC=C1O CS-W021443 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.4 N#CCC1=CC=CC=C1Br CS-W019568 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.4 N#CCC1=CC=CC=C1Cl CS-W020135 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.10 CC1=CC(CC#N)=CC=C1 CS-W005445 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.10 N#CCC1=CC(Cl)=CC=C1 CS-W018107 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.10 NCCC1=CC(Cl)=CC=C1 CS-W005099 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.10 OCCC1=CC(Br)=CC=C1 CS-W007864 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.17 C#CCCC1=CC=CC=C1 CS-0081605 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.17 CCNCC1=CC=CC=C1 CS-W013340 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.17 NCCNC1=CC=CC=C1 CS-0045385 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.18 N=C(O)NC1=CC=CC=C1 CS-W017760 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [0,1,0,0,0,1|0,0,0]=2 108 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O CS-0041637 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-0042547 [0,1,0,0,0,1|1,0,0]=3 111 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O CS-0041636 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(=N)O CS-W015584 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CS-0059225 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 CS-0019256 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 CS-0020117 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS-0059256 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.20 [C@@H](N)(C(=O)O)C1=CC=C(Cl)C=C1 CS-W005720 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.435 COC1=CC(C(=O)C=O)=CC=C1 CS-0042611 [0,2,0,0,0,0|1,0,1]=4 122 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [1,0,0,1,0,0|1,0,0]=3 123 B10R2.7 C1=CC=C2OC=NC2=C1 CS-W004722 [1,0,0,1,0,0|1,0,1]=4 124 B10R2.7 C1=CC=C2OCCC2=C1 CS-M0160 [1,0,0,1,0,0|0,0,2]=4 125 B10R2.7 C1=CC=C2SC=NC2=C1 CS-W013350 [1,0,0,1,0,0|1,1,0]=4 126 B12R2.18 CC1=C(Br)C2=CC=CC=C2S1 CS-W021857 [0,0,0,1,0,1|1,0,1]=4 127 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [0,0,0,1,0,1|1,0,1]=4 128 B12R2.32 O=CC1=NC2=CC=CC=C2N1 CS-W004873 [0,0,0,1,0,1|1,0,1]=4 129 B12R2.32 OCC1CC2=CC=CC=C2O1 CS-0031351 [0,0,0,1,0,1|0,0,2]=4 130 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 CS-0038250 [0,1,0,1,0,0|1,0,1]=4 131 B12R2.116 NC1(C2=CC=CC=C2)CCC1 CS-W021366 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS-W008926 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 CS-W007948 [0,1,0,1,0,0|1,0,1]=4 134 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 CS-0015141 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 CS-0034511 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 CS-W006197 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.7 CC(=O)C1=CC=CN1 CS-W013672 [1,0,0,0,1,0|1,0,1]=4 138 B8R1.7 CC(=O)C1=CC=CO1 CS-W016628 [1,0,0,0,1,0|1,0,1]=4 139 B8R1.7 CC(=O)C1=CC=CS1 CS-W020047 [1,0,0,0,1,0|1,0,1]=4 140 B8R1.7 CC(=O)C1=CSC=C1 CS-W007361 [1,0,0,0,1,0|1,0,1]=4 141 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 CS-M1051 [0,0,0,0,0,2|0,0,2]=4