0 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 CS-0109544 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 CS-0113855 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 CS-W020607 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CS-0017193 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.27 COC(=O)C#CC1=CC=CC=C1 CS-0063867 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.27 COC(=O)C#CC1=CC=CC=N1 CS-0036606 [0,0,0,0,0,0|1,0,2]=3 6 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [0,0,0,0,0,0|0,0,2]=2 7 B12R1.27 COC(=O)CCC1=CC=CC=N1 CS-0150699 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.27 COC(=O)CCC1=CC=NC=C1 CS-0213157 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.27 COC(=O)CCC1=CN=CC=C1 CS-0150698 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.27 COC(=O)COC1=CC=CC=C1 CS-W016060 [0,0,0,0,0,0|1,0,1]=2 11 B12R1.27 COC(=O)CSC1=CC=CC=C1 CS-W017097 [0,0,0,0,0,0|1,0,1]=2 12 B12R1.27 COC(=O)NCC1=CC=CC=C1 CS-0150648 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 CS-0058614 [0,0,0,0,0,0|0,0,0]=0 14 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 CS-W017928 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 CS-0166759 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 CS-0777458 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W005117 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W011916 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.27 NNC(=O)CCC1=CC=CC=C1 CS-0046856 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.27 NNC(=O)COC1=CC=CC=C1 CS-0116734 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CS-W016057 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 CS-W019479 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CS-0661942 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 CS-W010391 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 CS-0033864 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 CS-0171366 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.27 O=C(CO)OCC1=CC=CC=C1 CS-W007485 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.27 O=C(NO)OCC1=CC=CC=C1 CS-0120018 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.27 O=C(\C=C\C1=CC=CC=C1)O[K] CS-0159621 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.28 CCO\C=N\C1=CC=CC=C1 CS-W001215 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 CNC\C=C\C1=CC=CC=C1 CS-0236559 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.91 CC(=O)C#CC1=CC=CC=C1 CS-W004450 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.91 CC(=O)CCC1=CC=CC=C1 CS-W016332 [1,0,0,0,0,0|0,0,2]=3 34 B11R1.91 CC(=O)COC1=CC=CC=C1 CS-0066530 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.91 CC(=O)NCC1=CC=CC=C1 CS-0044769 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.91 CC(=O)NNC1=CC=CC=C1 CS-W018141 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.91 CC(=O)OCC1=CC=CC=C1 CS-W018145 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-0031350 [1,0,0,0,0,0|0,0,0]=1 39 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 CS-W013311 [1,0,0,0,0,0|0,0,0]=1 40 B11R1.91 N=C(O)NCC1=CC=CC=C1 CS-W010969 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.91 NC(=O)C#CC1=CC=CC=C1 CS-0149994 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.91 NC(=O)CCC1=CC=CC=C1 CS-0037177 [1,0,0,0,0,0|1,0,2]=4 43 B11R1.91 NC(=O)COC1=CC=CC=C1 CS-0149937 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.91 NC(=O)OCC1=CC=CC=C1 CS-W004984 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CS-W007319 [1,0,0,0,0,0|0,0,2]=3 46 B11R1.91 O=C(O)C#CC1=CC=CN=C1 CS-0122143 [1,0,0,0,0,0|1,0,2]=4 47 B11R1.91 O=C(O)CCC1=CC=CC=C1 CS-W019781 [1,0,0,0,0,0|0,0,2]=3 48 B11R1.91 O=C(O)CCC1=CC=CC=N1 CS-0060616 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.91 O=C(O)CCC1=CC=NC=C1 CS-0140245 [1,0,0,0,0,0|1,0,2]=4 50 B11R1.91 O=C(O)CCC1=CN=CC=C1 CS-W018123 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.91 O=C(O)CNC1=CC=CC=C1 CS-W016312 [1,0,0,0,0,0|1,0,1]=3 52 B11R1.91 O=C(O)COC1=CC=CC=C1 CS-0013736 [1,0,0,0,0,0|1,0,1]=3 53 B11R1.91 O=C(O)COC1=CC=CC=N1 CS-W005910 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.91 O=C(O)COC1=CC=NC=C1 CS-0161602 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.91 O=C(O)COC1=CN=CC=C1 CS-0156811 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.91 O=C(O)CSC1=CC=CC=C1 CS-W016037 [1,0,0,0,0,0|1,0,1]=3 57 B11R1.91 O=C(O)CSC1=CC=NC=C1 CS-W016033 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 CS-0009610 [1,0,0,0,0,0|0,0,0]=1 59 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 CS-W020005 [1,0,0,0,0,0|0,0,0]=1 60 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-0031477 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 CS-W018179 [1,0,0,0,0,0|1,0,0]=2 62 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-0132417 [1,0,0,0,0,0|1,0,0]=2 63 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-W021781 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 CS-W021780 [1,0,0,0,0,0|1,0,0]=2 65 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 CS-0109600 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-0031474 [1,0,0,0,0,0|1,0,1]=3 67 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 CS-W007478 [1,0,0,0,0,0|1,0,1]=3 68 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0033829 [1,0,0,0,0,0|1,0,1]=3 69 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 CS-0106351 [1,0,0,0,0,0|1,0,1]=3 70 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 CS-0040402 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 CS-0019251 [0,1,0,0,0,0|0,0,1]=2 72 B13R1.11 COC(=O)CC(=O)C1=CC=CC=N1 CS-W023135 [0,1,0,0,0,0|1,0,1]=3 73 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 CS-0103379 [0,1,0,0,0,0|1,0,1]=3 74 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 CS-0037567 [0,1,0,0,0,0|1,0,1]=3 75 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031374 [0,1,0,0,0,0|0,0,2]=3 76 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CS-0031396 [0,1,0,0,0,0|0,0,2]=3 77 B13R1.14 C(C(=O)OC)=CC1=CC=C(Br)C=C1 CS-W010285 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.14 COC(=O)C#CC1=CC=C(Br)C=C1 CS-0310595 [0,1,0,0,0,0|0,0,2]=3 79 B13R1.14 COC(=O)C#CC1=CC=C(F)C=C1 CS-0163429 [0,1,0,0,0,0|0,0,2]=3 80 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 CS-D0634 [0,1,0,0,0,0|0,0,2]=3 81 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 CS-0061883 [0,1,0,0,0,0|0,0,2]=3 82 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 CS-0142972 [0,1,0,0,0,0|0,0,2]=3 83 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 CS-0091630 [0,1,0,0,0,0|0,0,2]=3 84 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 CS-W017209 [0,1,0,0,0,0|0,0,2]=3 85 B13R1.14 COC(=O)COC1=CC=C(Cl)C=C1 CS-0161624 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.14 COC(=O)COC1=CC=C(F)C=C1 CS-0904348 [0,1,0,0,0,0|1,0,1]=3 87 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 CS-0187807 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 CS-0166760 [0,1,0,0,0,0|0,0,0]=1 89 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS-0022763 [0,1,0,0,0,0|0,0,0]=1 90 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS-W020031 [0,1,0,0,0,0|0,0,0]=1 91 B13R1.15 COC(=O)CCC1=CC(F)=CC=C1 CS-0452462 [0,1,0,0,0,0|0,0,2]=3 92 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 CS-W022812 [0,1,0,0,0,0|0,0,2]=3 93 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 CS-0131489 [0,1,0,0,0,0|0,0,2]=3 94 B13R1.15 COC(=O)COC1=CC(Cl)=CC=C1 CS-0570308 [0,1,0,0,0,0|1,0,1]=3 95 B13R1.15 COC(=O)\C=C\C1=CC(N)=CC=C1 CS-0036729 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.15 COC(=O)\C=C\C1=CC=CC(Br)=C1 CS-0042333 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.15 COC(=O)\C=C\C1=CC=CC(Br)=C1 CS-0173266 [0,1,0,0,0,0|0,0,0]=1 98 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CS-0152462 [0,1,0,0,0,0|1,0,2]=4 99 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 CS-0066796 [0,1,0,0,0,0|0,0,2]=3 100 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CS-W002049 [0,1,0,0,0,0|0,0,2]=3 101 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 CS-0006559 [0,1,0,0,0,0|1,0,2]=4 102 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CS-0110084 [0,1,0,0,0,0|1,0,1]=3 103 B13R1.42 CCOC(=O)COC1=CC=CC=C1 CS-0037469 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 CS-W010589 [0,1,0,0,0,0|1,0,1]=3 105 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-0356392 [0,1,0,0,0,0|0,0,0]=1 106 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 CS-W020629 [0,1,0,0,0,0|0,0,0]=1 107 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=N1 CS-0036494 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 CS-0088304 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 CS-0079911 [0,1,0,0,0,0|2,0,1]=4 110 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 CS-0210608 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 CS-W009807 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 CS-0044117 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 CS-0156247 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 CS-0324203 [0,1,0,0,0,0|1,0,2]=4 115 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 CS-0098050 [0,1,0,0,0,0|1,0,2]=4 116 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 CS-0199086 [0,1,0,0,0,0|0,0,2]=3 117 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 CS-W022742 [0,1,0,0,0,0|0,0,2]=3 118 B13R1.135 COC(=O)C(N)CC1=CC=CN=C1 CS-0527717 [0,1,0,0,0,0|1,0,2]=4 119 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 CS-W018849 [0,1,0,0,0,0|0,0,2]=3 120 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CS-0010907 [0,1,0,0,0,0|0,0,2]=3 121 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W019793 [0,1,0,0,0,0|0,0,2]=3 122 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 CS-0438249 [0,1,0,0,0,0|1,0,2]=4 123 B13R1.135 COC(=O)[C@@H](N)CC1=NC=CC=C1 CS-0474462 [0,1,0,0,0,0|1,0,2]=4 124 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CS-W020565 [0,1,0,0,0,0|0,0,2]=3 125 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CS-W019028 [0,1,0,0,0,0|0,0,2]=3 126 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 CS-0061703 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.135 O=C(CC1=CC=CC=C1)C(=O)O[Na] CS-W016919 [0,1,0,0,0,0|1,0,1]=3 128 B13R1.135 [C@H](O)(CC1=CC=CC=C1)C(=O)OC CS-W007891 [0,1,0,0,0,0|0,0,2]=3 129 B13R1.351 C=C(C)C(=O)OCC1=CC=CC=C1 CS-W017408 [0,1,0,0,0,0|2,0,1]=4 130 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 CS-W017200 [0,1,0,0,0,0|2,0,1]=4 131 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 CS-W022587 [0,1,0,0,0,0|2,0,1]=4 132 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 CS-0115191 [0,1,0,0,0,0|2,0,1]=4 133 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 CS-W011863 [0,1,0,0,0,0|2,0,1]=4 134 B13R1.351 C[C@H](N)C(=O)OCC1=CC=CC=C1 CS-W020701 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 CS-0045408 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 CS-0235779 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.351 [C@H](C)(N)C(=O)OCC1=CC=CC=C1 CS-W011862 [0,1,0,0,0,0|2,0,1]=4 138 B13R1.417 COC(\C=C\C1=CC=CC=C1)OC CS-0887443 [0,1,0,0,0,0|0,0,2]=3 139 B13R1.528 COC(=O)CCC1=CC=CC=C1Br CS-W010269 [0,1,0,0,0,0|0,0,2]=3 140 B13R1.528 COC(=O)CCC1=CC=CC=C1F CS-0208728 [0,1,0,0,0,0|0,0,2]=3 141 B13R1.528 COC(=O)CCC1=CC=CC=C1O CS-0356885 [0,1,0,0,0,0|0,0,2]=3 142 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1Br CS-0150954 [0,1,0,0,0,0|0,0,0]=1 143 B13R1.528 COC(=O)\C=C\C1=CC=CC=C1N CS-0102068 [0,1,0,0,0,0|0,0,0]=1 144 B13R2.10 CC1=CC(C2=CC=CC=C2)=NN1 CS-0153138 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 CS-0126655 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.10 CC1=NOC(C2=CC=CC=C2)=C1 CS-0034618 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.10 ClC1=CC(C2=CC=CC=C2)=NO1 CS-0156348 [0,0,0,1,0,0|2,0,0]=3 148 B13R2.10 NC1=CC(C2=CC=CC=C2)=NN1 CS-0166743 [0,0,0,1,0,0|3,0,0]=4 149 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 CS-W017937 [0,0,0,1,0,0|2,0,0]=3 150 B13R2.10 NC1=CC(C2=CC=NC=C2)=NO1 CS-0157393 [0,0,0,1,0,0|3,0,0]=4 151 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 CS-0046180 [0,0,0,1,0,0|2,0,1]=4 152 B13R2.10 NC1=NNC(C2=CC=CC=C2)=C1 CS-W021972 [0,0,0,1,0,0|3,0,0]=4 153 B13R2.10 NC1=NOC(C2=CC=CC=C2)=C1 CS-0379166 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 CS-0094278 [0,0,0,1,0,0|2,0,1]=4 155 B13R2.10 O=C1CC(C2=CC=CC=C2)=NO1 CS-0114110 [0,0,0,1,0,0|1,0,1]=3 156 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [0,0,0,1,0,0|1,0,2]=4 157 B13R2.10 O=C1CC(C2=CC=NC=C2)=NO1 CS-0097912 [0,0,0,1,0,0|2,0,1]=4 158 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 CS-0139334 [0,0,0,1,0,0|1,0,2]=4 159 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 CS-W010860 [0,0,0,1,0,0|3,0,0]=4 160 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)N1 CS-0098324 [0,0,0,1,0,0|2,0,1]=4 161 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 CS-W017933 [0,0,0,1,0,0|3,0,0]=4 162 B13R2.10 O=C1N=C(C2=CC=CC=C2)NO1 CS-0043875 [0,0,0,1,0,0|2,0,0]=3 163 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS-0039132 [0,0,0,1,0,0|1,0,1]=3 164 B13R2.10 O=C1NC(C2=CC=CC=C2)CS1 CS-0050784 [0,0,0,1,0,0|1,1,1]=4 165 B13R2.10 O=C1NCC(C2=CC=CC=C2)O1 CS-0455553 [0,0,0,1,0,0|2,0,1]=4 166 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [0,0,0,1,0,0|1,0,1]=3 167 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017924 [0,0,0,1,0,0|1,0,1]=3 168 B13R2.10 O=C1OCC(C2=CC=CC=C2)O1 CS-0697972 [0,0,0,1,0,0|1,0,1]=3 169 B13R2.10 O=C1ON=C(C2=CC=CC=C2)O1 CS-0699002 [0,0,0,1,0,0|2,0,0]=3 170 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0093692 [0,0,0,1,0,0|1,1,1]=4 171 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017256 [0,0,0,1,0,0|1,1,1]=4 172 B13R2.32 BrC1=C(I)C2=CC=CC=C2C=C1 CS-0569918 [0,0,0,1,0,0|3,0,0]=4 173 B13R2.32 BrC1=CC=C2C=CC=CC2=C1Br CS-0342997 [0,0,0,1,0,0|3,0,0]=4 174 B13R2.32 CC1=C(Br)C=CC2=C1N=CC=C2 CS-W005742 [0,0,0,1,0,0|3,0,0]=4 175 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 CS-W014335 [0,0,0,1,0,0|3,0,0]=4 176 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 CS-0153503 [0,0,0,1,0,0|1,0,1]=3 177 B13R2.32 CC1=C2C=CC=NC2=CC=C1Br CS-0042366 [0,0,0,1,0,0|3,0,0]=4 178 B13R2.32 CC1=C2N=CC=CC2=CC=C1Cl CS-0153401 [0,0,0,1,0,0|3,0,0]=4 179 B13R2.32 CC1=CC=C2C=CC=CC2=C1Br CS-0128760 [0,0,0,1,0,0|3,0,0]=4 180 B13R2.32 CC1=CC=C2C=CC=CC2=C1I CS-0437915 [0,0,0,1,0,0|3,0,0]=4 181 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CS-W008749 [0,0,0,1,0,0|3,0,0]=4 182 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 CS-W023164 [0,0,0,1,0,0|1,0,0]=2 183 B13R2.32 CN1C(=O)C=NC2=CC=CC=C21 CS-0265478 [0,0,0,1,0,0|2,0,0]=3 184 B13R2.32 CN1C(=O)COC2=CC=CC=C21 CS-0151117 [0,0,0,1,0,0|2,0,1]=4 185 B13R2.32 ClC1=C2C=CC=CC2=CC=C1Br CS-0141435 [0,0,0,1,0,0|3,0,0]=4 186 B13R2.32 ClC1=CC=C2C=CC=CC2=C1Br CS-0141436 [0,0,0,1,0,0|3,0,0]=4 187 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 CS-0217783 [0,0,0,1,0,0|3,0,0]=4 188 B13R2.32 NC1=C(Cl)C2=C(C=CC=C2)C=C1 CS-0188174 [0,0,0,1,0,0|3,0,0]=4 189 B13R2.32 NC1=C2C=CC=CC2=CC=C1Br CS-0102191 [0,0,0,1,0,0|3,0,0]=4 190 B13R2.32 NC1=C2C=CC=CC2=CC=C1Cl CS-0637388 [0,0,0,1,0,0|3,0,0]=4 191 B13R2.32 NC1=CC=C2C=CC=CC2=C1Br CS-0135297 [0,0,0,1,0,0|3,0,0]=4 192 B13R2.32 NC1=CC=C2C=CC=CC2=C1I CS-0433547 [0,0,0,1,0,0|3,0,0]=4 193 B13R2.32 NC1=CC=C2C=CC=CC2=C1O CS-0095779 [0,0,0,1,0,0|3,0,0]=4 194 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 CS-W007565 [0,0,0,1,0,0|2,0,1]=4 195 B13R2.32 OC1=C(Br)C=CC2=CC=CC=C21 CS-W005491 [0,0,0,1,0,0|3,0,0]=4 196 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 CS-W002225 [0,0,0,1,0,0|2,0,1]=4 197 B13R2.32 OC1=CC=C2C=CC=CC2=C1Cl CS-0116882 [0,0,0,1,0,0|2,0,1]=4 198 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CS-W020691 [0,0,0,1,0,0|1,0,2]=4 199 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 CS-W014727 [0,0,0,1,0,0|3,0,0]=4 200 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS-W005234 [0,0,0,1,0,0|2,0,1]=4 201 B13R2.57 C=CC1=CC2=CC=CC=C2C=C1 CS-W016269 [0,0,0,1,0,0|2,0,1]=4 202 B13R2.57 CCC1=CC2=CC=CC=C2C=C1 CS-0152501 [0,0,0,1,0,0|2,0,0]=3 203 B13R2.57 CCC1=CC2=CC=CC=C2N=C1 CS-0535356 [0,0,0,1,0,0|3,0,0]=4 204 B13R2.57 CNC1=NC2=CC=CC=C2C=C1 CS-0139232 [0,0,0,1,0,0|2,0,0]=3 205 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 CS-0005444 [0,0,0,1,0,0|2,0,0]=3 206 B13R2.57 COC1=CC2=C(C=C1)N=CC=N2 CS-W000649 [0,0,0,1,0,0|3,0,0]=4 207 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 CS-W010895 [0,0,0,1,0,0|1,0,0]=2 208 B13R2.57 COC1=CC2=C(C=CCO2)C=C1 CS-1012972 [0,0,0,1,0,0|2,0,1]=4 209 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS-W021958 [0,0,0,1,0,0|2,0,0]=3 210 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS-W022551 [0,0,0,1,0,0|2,0,0]=3 211 B13R2.57 COC1=CC=C2C=CN=CC2=C1 CS-0043907 [0,0,0,1,0,0|2,0,0]=3 212 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS-W017948 [0,0,0,1,0,0|2,0,0]=3 213 B13R2.57 COC1=NC2=CC=CC=C2C=C1 CS-W006119 [0,0,0,1,0,0|1,0,0]=2 214 B13R2.57 CSC1=CC2=CC=CC=C2C=C1 CS-0368258 [0,0,0,1,0,0|1,1,0]=3 215 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS-0695678 [0,0,0,1,0,0|3,0,0]=4 216 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS-W023193 [0,0,0,1,0,0|3,0,0]=4 217 B13R2.57 N#CC1=NC2=CC=CC=C2C=C1 CS-0007614 [0,0,0,1,0,0|3,0,0]=4 218 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS-W002778 [0,0,0,1,0,0|3,0,0]=4 219 B13R2.57 NCC1=CC=C2C=CC=CC2=C1 CS-W018759 [0,0,0,1,0,0|3,0,0]=4 220 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS-0456360 [0,0,0,1,0,0|3,0,0]=4 221 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS-W004804 [0,0,0,1,0,0|3,0,0]=4 222 B13R2.57 NNC1=NC2=CC=CC=C2C=C1 CS-0155988 [0,0,0,1,0,0|3,0,0]=4 223 B13R2.57 O=CC1=CC2=C(C=CC=C2)C=C1 CS-D1121 [0,0,0,1,0,0|3,0,0]=4 224 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 CS-W008168 [0,0,0,1,0,0|3,0,0]=4 225 B13R2.57 OCC1=CC2=C(C=CC=C2)C=C1 CS-W001953 [0,0,0,1,0,0|3,0,0]=4 226 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 CS-0044957 [0,0,0,1,0,0|3,0,0]=4 227 B11R1.25 COC(=O)CCC1=CC=CN1 CS-W008195 [0,0,0,0,1,0|1,0,2]=4 228 B11R1.25 COC(=O)\C=C\C1=CN=CN1 CS-0301804 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.25 COC(=O)\C=C\C1=CSC=C1 CS-0468967 [0,0,0,0,1,0|1,0,0]=2 230 B11R1.40 C(C1=CC=CC=C1)=C(\Br)C=O CS-W015069 [0,0,0,0,1,0|3,0,0]=4 231 B11R1.40 C(C1=CC=CC=C1)=C(\C)C=O CS-W016354 [0,0,0,0,1,0|3,0,0]=4 232 B11R1.40 C=CC(=O)NC1=CC=CC=C1 CS-W019368 [0,0,0,0,1,0|2,0,1]=4 233 B11R1.40 C=CC(=O)OC1=CC=CC=C1 CS-W016338 [0,0,0,0,1,0|2,0,1]=4 234 B11R1.40 CCC(=O)OC1=CC=CC=C1 CS-0182542 [0,0,0,0,1,0|2,0,0]=3 235 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [0,0,0,0,1,0|1,0,1]=3 236 B11R1.40 COC(=O)CC1=CC=NC=C1 CS-0015139 [0,0,0,0,1,0|1,0,1]=3 237 B11R1.40 COC(=O)CC1=CN=CC=N1 CS-W000723 [0,0,0,0,1,0|2,0,1]=4 238 B11R1.40 COC(=O)CC1=NC=CC=C1 CS-0020075 [0,0,0,0,1,0|1,0,1]=3 239 B11R1.40 COC(=O)CC1=NC=CC=N1 CS-0061881 [0,0,0,0,1,0|2,0,1]=4 240 B11R1.40 COC(=O)CC1=NC=NC=C1 CS-0053943 [0,0,0,0,1,0|2,0,1]=4 241 B11R1.40 COC(=O)OC1=CC=CC=C1 CS-0115513 [0,0,0,0,1,0|1,0,0]=2 242 B11R1.40 NNC(=O)CC1=CC=CC=C1 CS-0067160 [0,0,0,0,1,0|2,0,1]=4 243 B11R1.40 NNC(=O)NC1=CC=CC=C1 CS-0100039 [0,0,0,0,1,0|3,0,0]=4 244 B11R1.40 NNC(=O)OC1=CC=CC=C1 CS-0162729 [0,0,0,0,1,0|3,0,0]=4 245 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CS-D0368 [0,0,0,0,1,0|3,0,0]=4 246 B11R1.40 O=C(CBr)OC1=CC=CC=C1 CS-W009102 [0,0,0,0,1,0|3,0,0]=4 247 B11R1.40 O=C(CCl)CC1=CC=CC=C1 CS-0124989 [0,0,0,0,1,0|2,0,1]=4 248 B11R1.40 O=C(CCl)NC1=CC=CC=C1 CS-0079929 [0,0,0,0,1,0|3,0,0]=4 249 B11R1.40 O=C(CO)NC1=CC=CC=C1 CS-0139260 [0,0,0,0,1,0|3,0,0]=4 250 B11R1.40 O=C(NO)OC1=CC=CC=C1 CS-0199118 [0,0,0,0,1,0|3,0,0]=4 251 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CS-D0496 [0,0,0,0,0,1|0,0,2]=3 252 B13R1.718 COC(=O)CCNC1=CC=CC=C1 CS-0150687 [0,0,0,0,0,1|0,0,2]=3 253 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CS-W022790 [0,0,0,0,0,1|0,0,2]=3 254 B13R1.718 COC(=O)COCC1=CC=CC=C1 CS-0136691 [0,0,0,0,0,1|0,0,2]=3 255 B10R1.17 BrC\C=C\C1=CC=CC=C1 CS-0063176 [2,0,0,0,0,0|1,0,1]=4 256 B10R1.17 C(CCl)=CC1=CC=CC=C1 CS-W014342 [2,0,0,0,0,0|1,0,1]=4 257 B10R1.17 C=C\C=C\C1=CC=CC=C1 CS-0170860 [2,0,0,0,0,0|0,0,1]=3 258 B10R1.17 N#C\C=C\C1=CC=CC=C1 CS-W011118 [2,0,0,0,0,0|1,0,1]=4 259 B10R1.17 O=CC#CC1=CC=CC=C1 CS-W009214 [2,0,0,0,0,0|0,0,2]=4 260 B10R1.17 O=CNCC1=CC=CC=C1 CS-0009966 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.17 O=CNNC1=CC=CC=C1 CS-0243439 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.17 O=COCC1=CC=CC=C1 CS-0128265 [2,0,0,0,0,0|1,0,1]=4 263 B10R1.17 O=C\C=C\C1=CC=CC=C1 CS-0031318 [2,0,0,0,0,0|0,0,0]=2 264 B10R1.17 OC\C=C\C1=CC=CC=C1 CS-0008356 [2,0,0,0,0,0|0,0,1]=3 265 B10R1.17 OC\C=C\C1=CC=CC=C1 CS-0017737 [2,0,0,0,0,0|0,0,1]=3 266 B10R1.17 OC\C=C\C1=CC=CN=C1 CS-W021126 [2,0,0,0,0,0|1,0,1]=4 267 B12R1.21 C(C(=O)O)=CC1=CC=C(Br)C=C1 CS-W013013 [1,1,0,0,0,0|0,0,0]=2 268 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [1,1,0,0,0,0|0,0,0]=2 269 B12R1.21 C(C(=O)O)=CC1=CC=C(F)C=C1 CS-W010812 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.21 C(C1=CC=C(Br)C=C1)=C[N+](=O)[O-] CS-W016767 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 CS-0155061 [1,1,0,0,0,0|0,0,2]=4 272 B12R1.21 CC(=O)CCC1=CC=C(I)C=C1 CS-0238159 [1,1,0,0,0,0|0,0,2]=4 273 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS-0016855 [1,1,0,0,0,0|0,0,2]=4 274 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 CS-0272162 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 CS-0272163 [1,1,0,0,0,0|1,0,1]=4 276 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 CS-0197491 [1,1,0,0,0,0|1,0,1]=4 277 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 CS-0272025 [1,1,0,0,0,0|0,0,0]=2 278 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 CS-0274632 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.21 CC(=O)\C=C\C1=CC=C(O)C=C1 CS-B1377 [1,1,0,0,0,0|0,0,0]=2 280 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 CS-W018356 [1,1,0,0,0,0|0,0,2]=4 281 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 CS-W013244 [1,1,0,0,0,0|0,0,2]=4 282 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 CS-0181793 [1,1,0,0,0,0|1,0,1]=4 283 B12R1.21 CC1=CC=C(\C=C\B(O)O)C=C1 CS-0110015 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.21 CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 CS-0153091 [1,1,0,0,0,0|1,0,1]=4 285 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS-W019508 [1,1,0,0,0,0|0,0,2]=4 286 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 CS-0102800 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 CS-0308170 [1,1,0,0,0,0|0,0,2]=4 288 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 CS-W006758 [1,1,0,0,0,0|0,0,2]=4 289 B12R1.21 O=C(O)C#CC1=CC=C(F)C=C1 CS-0122128 [1,1,0,0,0,0|0,0,2]=4 290 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 CS-W019863 [1,1,0,0,0,0|0,0,2]=4 291 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [1,1,0,0,0,0|0,0,2]=4 292 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 CS-0072209 [1,1,0,0,0,0|0,0,2]=4 293 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS-0157511 [1,1,0,0,0,0|0,0,2]=4 294 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS-W016062 [1,1,0,0,0,0|0,0,2]=4 295 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 CS-0118637 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 CS-0130302 [1,1,0,0,0,0|1,0,1]=4 297 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 CS-0016291 [1,1,0,0,0,0|1,0,1]=4 298 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 CS-0045013 [1,1,0,0,0,0|1,0,1]=4 299 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 CS-0127993 [1,1,0,0,0,0|1,0,1]=4 300 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [1,1,0,0,0,0|1,0,1]=4 301 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 CS-0072683 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 CS-0041886 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS-0015730 [1,1,0,0,0,0|0,0,0]=2 304 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0088991 [1,1,0,0,0,0|0,0,0]=2 305 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 CS-0516226 [1,1,0,0,0,0|0,0,0]=2 306 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS-8149 [1,1,0,0,0,0|0,0,0]=2 307 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS-W020394 [1,1,0,0,0,0|0,0,0]=2 308 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 CS-B0969 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 CS-0047586 [1,1,0,0,0,0|1,0,1]=4 310 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 CS-W017034 [1,1,0,0,0,0|1,0,1]=4 311 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 CS-0031463 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(O)C=C1 CS-0085463 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.21 OB(O)\C=C\C1=CC=C(Cl)C=C1 CS-0067830 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 CS-0158075 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [1,1,0,0,0,0|0,0,1]=3 316 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 CS-0331501 [1,1,0,0,0,0|1,0,1]=4 317 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O CS-0106156 [1,1,0,0,0,0|0,0,2]=4 318 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O CS-W021018 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O CS-W001011 [1,1,0,0,0,0|0,0,0]=2 320 B12R1.43 C\C(=C/C1=CC=CC=N1)C(=O)O CS-0090464 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS-W018529 [1,1,0,0,0,0|0,0,2]=4 322 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CS-2315 [1,1,0,0,0,0|0,0,2]=4 323 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CS-W020009 [1,1,0,0,0,0|0,0,2]=4 324 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CS-W013246 [1,1,0,0,0,0|0,0,1]=3 325 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 CS-0060520 [1,1,0,0,0,0|0,0,2]=4 326 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS-W017878 [1,1,0,0,0,0|0,0,2]=4 327 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CS-W020023 [1,1,0,0,0,0|0,0,2]=4 328 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CS-W020670 [1,1,0,0,0,0|0,0,2]=4 329 B12R1.43 [C@H](Br)(CC1=CC=CC=C1)C(=O)O CS-W012984 [1,1,0,0,0,0|0,0,2]=4 330 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [1,1,0,0,0,0|0,0,1]=3 331 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 CS-0154001 [1,1,0,0,0,0|1,0,1]=4 332 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 CS-M0683 [1,1,0,0,0,0|1,0,1]=4 333 B12R1.107 CC(=O)OC(C)C1=CC=CC=C1 CS-0154089 [1,1,0,0,0,0|1,0,1]=4 334 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [1,1,0,0,0,0|0,0,2]=4 335 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 CS-0151259 [1,1,0,0,0,0|1,0,1]=4 336 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 CS-0066979 [1,1,0,0,0,0|0,0,2]=4 337 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 CS-W002039 [1,1,0,0,0,0|0,0,2]=4 338 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CS-W002743 [1,1,0,0,0,0|0,0,2]=4 339 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CS-0042547 [1,1,0,0,0,0|0,0,2]=4 340 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CS-W002742 [1,1,0,0,0,0|0,0,2]=4 341 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS-W021936 [1,1,0,0,0,0|0,0,2]=4 342 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl CS-0254012 [1,1,0,0,0,0|0,0,2]=4 344 B12R1.125 CC(=O)NCC1=CC=CC=C1Br CS-0132479 [1,1,0,0,0,0|1,0,1]=4 345 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 CS-0073823 [1,1,0,0,0,0|1,0,1]=4 346 B12R1.125 CC1=CC=CC=C1C#CC(=O)O CS-0122136 [1,1,0,0,0,0|0,0,2]=4 347 B12R1.125 CC1=CC=CC=C1CCC(=O)O CS-W005547 [1,1,0,0,0,0|0,0,2]=4 348 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O CS-0152965 [1,1,0,0,0,0|0,0,0]=2 349 B12R1.125 O=C(O)C#CC1=CC=CC=C1F CS-0122139 [1,1,0,0,0,0|0,0,2]=4 350 B12R1.125 O=C(O)CCC1=CC=CC=C1Br CS-W007510 [1,1,0,0,0,0|0,0,2]=4 351 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [1,1,0,0,0,0|0,0,2]=4 352 B12R1.125 O=C(O)CCC1=CC=CC=C1F CS-W007890 [1,1,0,0,0,0|0,0,2]=4 353 B12R1.125 O=C(O)CCC1=CC=CC=C1I CS-0156655 [1,1,0,0,0,0|0,0,2]=4 354 B12R1.125 O=C(O)CCC1=CC=CC=C1O CS-W017874 [1,1,0,0,0,0|0,0,2]=4 355 B12R1.125 O=C(O)CNC1=CC=CC=C1F CS-0118636 [1,1,0,0,0,0|1,0,1]=4 356 B12R1.125 O=C(O)COC1=C(F)C=CC=C1 CS-0072616 [1,1,0,0,0,0|1,0,1]=4 357 B12R1.125 O=C(O)COC1=CC=CC=C1Br CS-0207404 [1,1,0,0,0,0|1,0,1]=4 358 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CS-W016882 [1,1,0,0,0,0|1,0,1]=4 359 B12R1.125 O=C(O)CSC1=CC=CC=C1Cl CS-B1577 [1,1,0,0,0,0|1,0,1]=4 360 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [1,1,0,0,0,0|0,0,0]=2 361 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl CS-0076948 [1,1,0,0,0,0|0,0,0]=2 362 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl CS-W017082 [1,1,0,0,0,0|0,0,0]=2 363 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-0076999 [1,1,0,0,0,0|0,0,0]=2 364 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [1,1,0,0,0,0|0,0,0]=2 365 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O CS-W013247 [1,1,0,0,0,0|0,0,0]=2 366 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl CS-0038141 [1,1,0,0,0,0|1,0,1]=4 367 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1F CS-0047014 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1F CS-0782906 [1,1,0,0,0,0|1,0,1]=4 369 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 CS-W016091 [1,1,0,0,0,0|0,0,0]=2 370 B12R1.226 CC(=O)NCC1=CC(N)=CC=C1 CS-0098160 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.226 CC1=CC(C#CC(=O)O)=CC=C1 CS-0122135 [1,1,0,0,0,0|0,0,2]=4 372 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 CS-W017867 [1,1,0,0,0,0|1,0,1]=4 373 B12R1.226 CC1=CC(\C=C\B(O)O)=CC=C1 CS-0805722 [1,1,0,0,0,0|1,0,1]=4 374 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=N1 CS-0280609 [1,1,0,0,0,0|1,0,0]=3 375 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 CS-M2097 [1,1,0,0,0,0|0,0,2]=4 376 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [1,1,0,0,0,0|0,0,0]=2 377 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 CS-W005084 [1,1,0,0,0,0|0,0,2]=4 378 B12R1.226 O=C(O)C#CC1=CC=CC(Br)=C1 CS-0140413 [1,1,0,0,0,0|0,0,2]=4 379 B12R1.226 O=C(O)C#CC1=CC=CC(Cl)=C1 CS-0122131 [1,1,0,0,0,0|0,0,2]=4 380 B12R1.226 O=C(O)C#CC1=CC=CC(F)=C1 CS-0122138 [1,1,0,0,0,0|0,0,2]=4 381 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS-W016980 [1,1,0,0,0,0|0,0,2]=4 382 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 CS-W017812 [1,1,0,0,0,0|0,0,2]=4 383 B12R1.226 O=C(O)CCC1=CC(I)=CC=C1 CS-0312964 [1,1,0,0,0,0|0,0,2]=4 384 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 CS-D0633 [1,1,0,0,0,0|0,0,2]=4 385 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 CS-W005255 [1,1,0,0,0,0|0,0,2]=4 386 B12R1.226 O=C(O)CNC1=CC=CC(Cl)=C1 CS-0119729 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 CS-0102086 [1,1,0,0,0,0|1,0,1]=4 388 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 CS-W002102 [1,1,0,0,0,0|1,0,1]=4 389 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 CS-W002938 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 CS-0156901 [1,1,0,0,0,0|0,0,0]=2 391 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 CS-0001475 [1,1,0,0,0,0|0,0,0]=2 392 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 CS-0031419 [1,1,0,0,0,0|0,0,0]=2 393 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 CS-0144932 [1,1,0,0,0,0|0,0,0]=2 394 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CS-W001956 [1,1,0,0,0,0|0,0,0]=2 395 B12R1.226 OB(O)\C=C\C1=CC(F)=CC=C1 CS-0175216 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.891 O=S(=O)(Cl)\C=C\C1=CC=CC=C1 CS-0117008 [1,1,0,0,0,0|1,0,1]=4 397 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 CS-0044463 [0,1,0,0,1,0|1,0,1]=4 398 B12R1.15 COC(=O)CC(=O)C1=CSC=C1 CS-0302066 [0,1,0,0,1,0|1,0,1]=4 399 B12R1.51 CCOC(=O)\C=C\C1=CN=CS1 CS-0159429 [0,1,0,0,1,0|2,0,0]=4 400 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 CS-0030595 [0,1,0,0,1,0|0,0,0]=2 401 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 CS-M0641 [0,1,0,0,1,0|0,0,1]=3 402 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [0,1,0,0,1,0|0,0,1]=3 403 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 CS-W018755 [0,1,0,0,1,0|0,0,1]=3 404 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 CS-0016959 [0,1,0,0,1,0|0,0,1]=3 405 B12R1.34 COC(=O)C(O)C1=CC=CN=C1 CS-0619312 [0,1,0,0,1,0|1,0,1]=4 406 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 CS-0031345 [0,1,0,0,1,0|0,0,1]=3 407 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 CS-0011289 [0,1,0,0,1,0|0,0,1]=3 408 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 CS-W015540 [0,1,0,0,1,0|0,0,1]=3 409 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 CS-W017890 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.34 O=C(O[Na])C(O)C1=CC=CC=C1 CS-0179361 [0,1,0,0,1,0|1,0,1]=4 411 B12R1.34 [C@H](O)(C(=O)OC)C1=CC=CC=C1 CS-W017868 [0,1,0,0,1,0|0,0,1]=3 412 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 CS-0111414 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 CS-0208381 [0,1,0,0,1,0|1,0,1]=4 414 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [0,1,0,0,1,0|0,0,1]=3 415 B12R1.49 COC(=O)CC1=CC=C(Br)N=C1 CS-0185154 [0,1,0,0,1,0|1,0,1]=4 416 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 CS-0099715 [0,1,0,0,1,0|0,0,1]=3 417 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 CS-W022850 [0,1,0,0,1,0|0,0,1]=3 418 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 CS-W008065 [0,1,0,0,1,0|0,0,1]=3 419 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 CS-0094448 [0,1,0,0,1,0|0,0,1]=3 420 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 CS-0028736 [0,1,0,0,1,0|0,0,1]=3 421 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS-W001084 [0,1,0,0,1,0|0,0,1]=3 422 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 CS-W005153 [0,1,0,0,1,0|1,0,1]=4 423 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 CS-0036244 [0,1,0,0,1,0|1,0,1]=4 424 B12R1.49 COC(=O)NC1=CC=C(O)C=C1 CS-0249290 [0,1,0,0,1,0|1,0,0]=3 425 B12R1.50 COC(=O)CC1=CC(Br)=NC=C1 CS-0149600 [0,1,0,0,1,0|1,0,1]=4 426 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 CS-0092628 [0,1,0,0,1,0|1,0,1]=4 427 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CS-W004989 [0,1,0,0,1,0|0,0,1]=3 428 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 CS-W019829 [0,1,0,0,1,0|0,0,1]=3 429 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [0,1,0,0,1,0|0,0,1]=3 430 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 CS-0088560 [0,1,0,0,1,0|0,0,1]=3 431 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 CS-0088534 [0,1,0,0,1,0|0,0,1]=3 432 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 CS-0181582 [0,1,0,0,1,0|0,0,1]=3 433 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 CS-0019183 [0,1,0,0,1,0|0,0,1]=3 434 B12R1.50 COC(=O)CC1=NC(Br)=CC=C1 CS-0618628 [0,1,0,0,1,0|1,0,1]=4 435 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 CS-W019003 [0,1,0,0,1,0|1,0,1]=4 436 B12R1.50 COC(=O)CC1=NC(F)=CC=C1 CS-0194190 [0,1,0,0,1,0|1,0,1]=4 437 B12R1.50 COC(=O)CC1=NC=CC(Br)=C1 CS-0140617 [0,1,0,0,1,0|1,0,1]=4 438 B12R1.50 COC(=O)NC1=CC=CC(O)=C1 CS-0249289 [0,1,0,0,1,0|1,0,0]=3 439 B12R1.371 CNC(=O)CC1=CC=CC=C1N CS-0247449 [0,1,0,0,1,0|1,0,1]=4 440 B12R1.371 COC(=O)CC1=C(Br)C=NC=C1 CS-0102202 [0,1,0,0,1,0|1,0,1]=4 441 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS-0042528 [0,1,0,0,1,0|0,0,1]=3 442 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS-W019167 [0,1,0,0,1,0|0,0,1]=3 443 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,1,0,0,1,0|0,0,1]=3 444 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,1,0,0,1,0|0,0,1]=3 445 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,1,0,0,1,0|0,0,1]=3 446 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,1,0,0,1,0|0,0,1]=3 447 B12R1.371 COC(=O)CC1=CC=CC=C1F CS-0061879 [0,1,0,0,1,0|0,0,1]=3 448 B12R1.371 COC(=O)CC1=CC=CC=C1I CS-0132055 [0,1,0,0,1,0|0,0,1]=3 449 B12R1.371 COC(=O)CC1=CC=CN=C1Cl CS-0312351 [0,1,0,0,1,0|1,0,1]=4 450 B12R1.371 COC(=O)CC1=NC=CC=C1Br CS-0049209 [0,1,0,0,1,0|1,0,1]=4 451 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 CS-M3531 [0,1,0,0,1,0|2,0,0]=4 452 B14R1.13 COC(=O)CCCC1=CC=C(Br)C=C1 CS-0342438 [0,1,0,0,0,1|0,0,2]=4 453 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 CS-W005992 [0,1,0,0,0,1|0,0,2]=4 454 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 CS-0067775 [0,1,0,0,0,1|0,0,1]=3 455 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)O[Na] CS-W015557 [0,1,0,0,0,1|1,0,1]=4 456 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 CS-W010703 [0,1,0,0,0,1|0,0,2]=4 457 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-M0975 [0,1,0,0,0,1|0,0,2]=4 458 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS-W010686 [0,1,0,0,0,1|0,0,2]=4 459 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 CS-0136694 [0,1,0,0,0,1|0,0,2]=4 460 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CS-0084236 [0,1,0,0,0,1|0,0,2]=4 461 B14R1.756 COC(=O)[C@@H](C)OCC1=CC=CC=C1 CS-M3386 [0,1,0,0,0,1|0,0,2]=4 462 B14R1.756 COC(=O)[C@@H](N)CCC1=CC=CC=C1 CS-0210545 [0,1,0,0,0,1|0,0,2]=4 463 B14R1.756 COC(=O)[C@H](C)NCC1=CC=CC=C1 CS-0144635 [0,1,0,0,0,1|0,0,2]=4 464 B14R1.837 COC(=O)COCC1=CC=CC=C1F CS-0614979 [0,1,0,0,0,1|0,0,2]=4 465 B14R1.10 COC(=O)CC(=O)C1=CC=C(F)C=C1 CS-W015708 [0,2,0,0,0,0|0,0,1]=3 466 B14R1.10 COC(=O)CC(=O)C1=CC=C(I)C=C1 CS-0161243 [0,2,0,0,0,0|0,0,1]=3 467 B14R1.10 COC(=O)C[C@@H](N)C1=CC=C(Br)C=C1 CS-0158085 [0,2,0,0,0,0|0,0,2]=4 468 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)C=C1 CS-0158084 [0,2,0,0,0,0|0,0,2]=4 469 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(F)C=C1 CS-0173216 [0,2,0,0,0,0|0,0,2]=4 470 B14R1.11 COC(=O)CC(=O)C1=CC(Cl)=CC=C1 CS-0046986 [0,2,0,0,0,0|0,0,1]=3 471 B14R1.11 COC(=O)C[C@@H](N)C1=CC=CC(Br)=C1 CS-0162172 [0,2,0,0,0,0|0,0,2]=4 472 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS-W007617 [0,2,0,0,0,0|0,0,1]=3 473 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=N1 CS-W004737 [0,2,0,0,0,0|1,0,1]=4 474 B14R1.29 CCOC(=O)CC(=O)C1=CC=CN=C1 CS-0054614 [0,2,0,0,0,0|1,0,1]=4 475 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS-W002366 [0,2,0,0,0,0|1,0,1]=4 476 B14R1.29 CCOC(=O)\C=C(/C)C1=CC=CC=C1 CS-0098920 [0,2,0,0,0,0|0,0,0]=2 477 B14R1.85 COC(=O)C(=O)N(C)C1=CC=CC=C1 CS-0334301 [0,2,0,0,0,0|1,0,0]=3 478 B14R1.415 CC(C)C(=O)CC(=O)C1=CC=CC=C1 CS-0222762 [0,2,0,0,0,0|1,0,1]=4 479 B14R1.587 COC(=O)CC(=O)C1=CC=CC=C1Cl CS-0150725 [0,2,0,0,0,0|0,0,1]=3 480 B14R1.587 COC(=O)CC(=O)C1=CC=CC=C1F CS-0150724 [0,2,0,0,0,0|0,0,1]=3 481 B14R1.741 COC(=O)CS(=O)(=O)C1=CC=CC=C1 CS-0133099 [0,2,0,0,0,0|1,0,1]=4 482 B14R1.5 C#CC1=CC=C(CCC(=O)OC)C=C1 CS-0158562 [0,2,0,0,0,0|0,0,2]=4 483 B14R1.5 C(C(=O)OC)=CC1=CC=C(C=O)C=C1 CS-W008046 [0,2,0,0,0,0|0,0,0]=2 484 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 CS-0150428 [0,2,0,0,0,0|0,0,2]=4 485 B14R1.5 COC(=O)CCC1=CC=C(C#N)C=C1 CS-0227163 [0,2,0,0,0,0|0,0,2]=4 486 B14R1.5 COC(=O)CCC1=CC=C(OC)C=C1 CS-0023821 [0,2,0,0,0,0|0,0,2]=4 487 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 CS-0102091 [0,2,0,0,0,0|1,0,1]=4 488 B14R1.5 COC(=O)\C=C\C1=CC=C(C#N)C=C1 CS-0913898 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.5 COC(=O)\C=C\C1=CC=C(C=O)C=C1 CS-0198152 [0,2,0,0,0,0|0,0,0]=2 490 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 CS-0886877 [0,2,0,0,0,0|0,0,0]=2 491 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 CS-0099561 [0,2,0,0,0,0|0,0,0]=2 492 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 CS-0021369 [0,2,0,0,0,0|0,0,2]=4 493 B14R1.134 COC(=O)C(N)CC1=CC=C(F)C=C1 CS-0097854 [0,2,0,0,0,0|0,0,2]=4 494 B14R1.134 COC(=O)C(N)CC1=CC=C(I)C=C1 CS-0448344 [0,2,0,0,0,0|0,0,2]=4 495 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 CS-0097783 [0,2,0,0,0,0|0,0,2]=4 496 B14R1.134 COC(=O)C(O)CC1=CC=C(Br)C=C1 CS-0347092 [0,2,0,0,0,0|0,0,2]=4 497 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 CS-W006456 [0,2,0,0,0,0|0,0,2]=4 498 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(F)C=C1 CS-0150938 [0,2,0,0,0,0|0,0,2]=4 499 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 CS-0136455 [0,2,0,0,0,0|0,0,2]=4 500 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 CS-W007671 [0,2,0,0,0,0|0,0,2]=4 501 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(Br)C=C1 CS-0527480 [0,2,0,0,0,0|0,0,2]=4 502 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 CS-0128875 [0,2,0,0,0,0|0,0,2]=4 503 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 CS-0470805 [0,2,0,0,0,0|0,0,2]=4 504 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(F)C=C1 CS-0047044 [0,2,0,0,0,0|0,0,2]=4 505 B14R1.134 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)OC CS-W012647 [0,2,0,0,0,0|0,0,2]=4 506 B14R1.134 [C@H](N)(CC1=CC=C(O)C=C1)C(=O)OC CS-W012944 [0,2,0,0,0,0|0,0,2]=4 507 B14R1.502 C(C(=O)OCC)=CC1=CNC(=N)C=C1 CS-W015812 [0,2,0,0,0,0|1,0,0]=3 508 B14R1.502 CCOC(=O)C#CC1=CC=C(C)C=C1 CS-0347733 [0,2,0,0,0,0|0,0,2]=4 509 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 CS-0298737 [0,2,0,0,0,0|0,0,2]=4 510 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS-W012554 [0,2,0,0,0,0|0,0,2]=4 511 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 CS-M2499 [0,2,0,0,0,0|0,0,2]=4 512 B14R1.502 CCOC(=O)CCC1=CC=C(O)C=C1 CS-W015741 [0,2,0,0,0,0|0,0,2]=4 513 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 CS-0307789 [0,2,0,0,0,0|1,0,1]=4 514 B14R1.502 CCOC(=O)COC1=CC=C(C)C=C1 CS-0315685 [0,2,0,0,0,0|1,0,1]=4 515 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 CS-M0586 [0,2,0,0,0,0|1,0,1]=4 516 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 CS-0047571 [0,2,0,0,0,0|0,0,0]=2 517 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 CS-W021127 [0,2,0,0,0,0|0,0,0]=2 518 B14R1.502 CCOC(=O)\C=C\C1=CC=C(C)C=C1 CS-0308791 [0,2,0,0,0,0|0,0,0]=2 519 B14R1.502 CCOC(=O)\C=C\C1=CC=C(F)C=C1 CS-0645506 [0,2,0,0,0,0|0,0,0]=2 520 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 CS-W013217 [0,2,0,0,0,0|0,0,0]=2 521 B14R1.727 COC(=O)\C=C\C1=C(Cl)C=C(Cl)C=C1 CS-0212767 [0,2,0,0,0,0|0,0,0]=2 522 B14R1.727 COC(=O)\C=C\C1=CC=C(Br)C=C1F CS-0140438 [0,2,0,0,0,0|0,0,0]=2 523 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 CS-M2098 [0,2,0,0,0,0|0,0,2]=4 524 B14R1.32 CCOC(=O)CNC1=CC=CC(F)=C1 CS-0209776 [0,2,0,0,0,0|1,0,1]=4 525 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 CS-0172249 [0,2,0,0,0,0|0,0,0]=2 526 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Br)=C1 CS-0212814 [0,2,0,0,0,0|0,0,0]=2 527 B14R1.77 COC(=O)CCC1=CC=CC(OC)=C1 CS-0504881 [0,2,0,0,0,0|0,0,2]=4 528 B14R1.77 COC(=O)\C=C\C1=CC(OC)=CC=C1 CS-0187766 [0,2,0,0,0,0|0,0,0]=2 529 B14R1.77 COC(=O)\C=C\C1=CC=CC(C#N)=C1 CS-0311840 [0,2,0,0,0,0|0,0,0]=2 530 B14R1.135 COC(=O)C(N)CC1=CC(O)=CC=C1 CS-0150919 [0,2,0,0,0,0|0,0,2]=4 531 B14R1.135 COC(=O)C(N)CC1=CC=CC(F)=C1 CS-0527418 [0,2,0,0,0,0|0,0,2]=4 532 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(O)=C1 CS-W021181 [0,2,0,0,0,0|0,0,2]=4 533 B14R1.820 COC(=O)\C=C\C1=CC(O)=CC=C1O CS-0020685 [0,2,0,0,0,0|0,0,0]=2 534 B14R1.60 CCOC(=O)C(=O)NC1=NC=CC=C1 CS-0255352 [0,2,0,0,0,0|2,0,0]=4 535 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 CS-0151880 [0,2,0,0,0,0|0,0,2]=4 536 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 CS-W012971 [0,2,0,0,0,0|0,0,2]=4 537 B14R1.60 CCOC(=O)[C@H](N)CC1=CC=CC=C1 CS-0151923 [0,2,0,0,0,0|0,0,2]=4 538 B14R1.156 C(C(=O)OCC=C)=CC1=CC=CC=C1 CS-W016797 [0,2,0,0,0,0|0,0,0]=2 539 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Br CS-0151588 [0,2,0,0,0,0|0,0,2]=4 540 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1Br CS-0254009 [0,2,0,0,0,0|0,0,0]=2 541 B14R1.1007 COC(=O)[C@H](N)CC1=CC=CC=C1F CS-0211340 [0,2,0,0,0,0|0,0,2]=4 542 B14R1.1031 CN[C@@H](CC1=CC=CC=C1)C(=O)OC CS-0147958 [0,2,0,0,0,0|0,0,2]=4 543 B14R1.863 COC(=O)CCC1=CC=CC=C1OC CS-0327003 [0,2,0,0,0,0|0,0,2]=4 544 B14R1.863 COC(=O)COC1=C(C=O)C=CC=C1 CS-W022778 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.77 C#CC1=CC=CC=C1C(=O)OC CS-0043892 [0,0,1,1,0,0|0,0,2]=4 546 B12R1.77 CCC1=CC=CC=C1C(=O)OC CS-0438498 [0,0,1,1,0,0|0,0,2]=4 547 B12R1.77 CNC1=CC=CC=C1C(=O)OC CS-M1144 [0,0,1,1,0,0|1,0,1]=4 548 B12R1.77 COC(=O)C1=C(SC)C=CC=C1 CS-0204610 [0,0,1,1,0,0|1,0,1]=4 549 B12R1.77 COC(=O)C1=CC=CC=C1C#N CS-W005307 [0,0,1,1,0,0|1,0,1]=4 550 B12R1.77 COC(=O)C1=CC=CC=C1C=O CS-W004677 [0,0,1,1,0,0|1,0,0]=3 551 B12R1.77 COC(=O)C1=CC=CC=C1NN CS-0308642 [0,0,1,1,0,0|2,0,0]=4 552 B12R1.71 COC1=CC=C(\C=C\C=O)C=C1 CS-0144244 [0,0,1,1,0,0|2,0,0]=4 553 B12R1.354 COC(=O)C1=C(Br)C=CC(Cl)=C1 CS-W007971 [0,0,1,1,0,0|2,0,0]=4 554 B12R1.354 COC(=O)C1=C(Br)C=CC(F)=C1 CS-W002352 [0,0,1,1,0,0|2,0,0]=4 555 B12R1.354 COC(=O)C1=C(Br)C=CC(I)=C1 CS-0037222 [0,0,1,1,0,0|2,0,0]=4 556 B12R1.354 COC(=O)C1=C(Br)C=CC(N)=C1 CS-W005932 [0,0,1,1,0,0|2,0,0]=4 557 B12R1.354 COC(=O)C1=C(C)C=CC(Br)=C1 CS-W007619 [0,0,1,1,0,0|1,0,1]=4 558 B12R1.354 COC(=O)C1=C(C)C=CC(F)=C1 CS-W005778 [0,0,1,1,0,0|1,0,1]=4 559 B12R1.354 COC(=O)C1=C(C)C=CC(I)=C1 CS-0037729 [0,0,1,1,0,0|1,0,1]=4 560 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 CS-W003565 [0,0,1,1,0,0|1,0,1]=4 561 B12R1.354 COC(=O)C1=C(Cl)C=CC(O)=C1 CS-0042711 [0,0,1,1,0,0|2,0,0]=4 562 B12R1.354 COC(=O)C1=C(F)C=CC(F)=C1 CS-W005748 [0,0,1,1,0,0|2,0,0]=4 563 B12R1.354 COC(=O)C1=C(F)C=CC(N)=C1 CS-0035913 [0,0,1,1,0,0|2,0,0]=4 564 B12R1.354 COC(=O)C1=C(F)C=CC(O)=C1 CS-W006328 [0,0,1,1,0,0|2,0,0]=4 565 B12R1.354 COC(=O)C1=C(I)C=CC(Br)=C1 CS-W018330 [0,0,1,1,0,0|2,0,0]=4 566 B12R1.354 COC(=O)C1=C(I)C=CC(C)=C1 CS-W011368 [0,0,1,1,0,0|1,0,1]=4 567 B12R1.354 COC(=O)C1=C(I)C=CC(F)=C1 CS-0032319 [0,0,1,1,0,0|2,0,0]=4 568 B12R1.354 COC(=O)C1=C(N)C=CC(Br)=C1 CS-W007390 [0,0,1,1,0,0|2,0,0]=4 569 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 CS-W002654 [0,0,1,1,0,0|1,0,1]=4 570 B12R1.354 COC(=O)C1=C(N)C=CC(Cl)=C1 CS-W008008 [0,0,1,1,0,0|2,0,0]=4 571 B12R1.354 COC(=O)C1=C(N)C=CC(F)=C1 CS-W007783 [0,0,1,1,0,0|2,0,0]=4 572 B12R1.354 COC(=O)C1=C(N)C=CC(I)=C1 CS-0150866 [0,0,1,1,0,0|2,0,0]=4 573 B12R1.354 COC(=O)C1=C(N)C=CC(N)=C1 CS-0150865 [0,0,1,1,0,0|2,0,0]=4 574 B12R1.354 COC(=O)C1=C(N)C=CC(O)=C1 CS-W006604 [0,0,1,1,0,0|2,0,0]=4 575 B12R1.354 COC(=O)C1=C(O)C=CC(Br)=C1 CS-W004768 [0,0,1,1,0,0|2,0,0]=4 576 B12R1.354 COC(=O)C1=C(O)C=CC(C)=C1 CS-0153321 [0,0,1,1,0,0|1,0,1]=4 577 B12R1.354 COC(=O)C1=C(O)C=CC(F)=C1 CS-W005914 [0,0,1,1,0,0|2,0,0]=4 578 B12R1.354 COC(=O)C1=C(O)C=CC(N)=C1 CS-0043810 [0,0,1,1,0,0|2,0,0]=4 579 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 CS-W013234 [0,0,1,1,0,0|2,0,0]=4 580 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Br CS-W004908 [0,0,1,1,0,0|2,0,0]=4 581 B12R1.354 COC(=O)C1=CC(Br)=CC=C1Cl CS-0097740 [0,0,1,1,0,0|2,0,0]=4 582 B12R1.354 COC(=O)C1=CC(Br)=CC=C1F CS-W009242 [0,0,1,1,0,0|2,0,0]=4 583 B12R1.354 COC(=O)C1=CC(Br)=CC=C1S CS-0634213 [0,0,1,1,0,0|2,0,0]=4 584 B12R1.354 COC(=O)C1=CC(C)=CC=C1Br CS-0046810 [0,0,1,1,0,0|1,0,1]=4 585 B12R1.354 COC(=O)C1=CC(C)=CC=C1Cl CS-0131327 [0,0,1,1,0,0|1,0,1]=4 586 B12R1.354 COC(=O)C1=CC(C)=CC=C1F CS-0059150 [0,0,1,1,0,0|1,0,1]=4 587 B12R1.354 COC(=O)C1=CC(C)=CC=C1N CS-0621463 [0,0,1,1,0,0|1,0,1]=4 588 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1C CS-0039198 [0,0,1,1,0,0|1,0,1]=4 589 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1Cl CS-0042645 [0,0,1,1,0,0|2,0,0]=4 590 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1I CS-0030377 [0,0,1,1,0,0|2,0,0]=4 591 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O CS-W023093 [0,0,1,1,0,0|2,0,0]=4 592 B12R1.354 COC(=O)C1=CC(I)=CC=C1Cl CS-0041113 [0,0,1,1,0,0|2,0,0]=4 593 B12R1.354 COC(=O)C1=CC(I)=CC=C1F CS-0161416 [0,0,1,1,0,0|2,0,0]=4 594 B12R1.354 COC(=O)C1=CC(I)=CC=C1O CS-0131375 [0,0,1,1,0,0|2,0,0]=4 595 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl CS-0042707 [0,0,1,1,0,0|2,0,0]=4 596 B12R1.354 COC(=O)C1=CC(N)=CC=C1I CS-0131316 [0,0,1,1,0,0|2,0,0]=4 597 B12R1.354 COC(=O)C1=CC(O)=CC=C1Br CS-B1202 [0,0,1,1,0,0|2,0,0]=4 598 B12R1.354 COC(=O)C1=CC(O)=CC=C1C CS-0036519 [0,0,1,1,0,0|1,0,1]=4 599 B12R1.435 C#CC1=CC(C(=O)OC)=CC=C1 CS-W005738 [0,0,1,1,0,0|0,0,2]=4 600 B12R1.435 C=CC1=CC(C(=O)OC)=CC=C1 CS-0161074 [0,0,1,1,0,0|0,0,0]=2 601 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 CS-W022828 [0,0,1,1,0,0|1,0,1]=4 602 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 CS-W006156 [0,0,1,1,0,0|2,0,0]=4 603 B12R1.435 COC(=O)C1=CC(OC)=CC=C1 CS-W001586 [0,0,1,1,0,0|1,0,1]=4 604 B12R1.435 COC(=O)C1=CC=CC(C=O)=C1 CS-W002489 [0,0,1,1,0,0|1,0,0]=3 605 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 CS-W001862 [0,0,1,1,0,0|1,0,1]=4 606 B12R1.435 COC(=O)C1=CC=CC(CO)=C1 CS-0096392 [0,0,1,1,0,0|1,0,1]=4 607 B12R1.435 COC(=O)C1=CC=CC(NN)=C1 CS-0161106 [0,0,1,1,0,0|2,0,0]=4 608 B12R1.435 COC(=O)C1=NC(C=O)=CC=C1 CS-W019400 [0,0,1,1,0,0|2,0,0]=4 609 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 CS-W006936 [0,0,1,1,0,0|2,0,0]=4 610 B12R2.1 CCC1=CNC2=CC=CC=C12 CS-0234454 [1,0,0,1,0,0|2,0,0]=4 611 B12R2.1 COC1=CNC2=C1C=CC=C2 CS-0163683 [1,0,0,1,0,0|1,0,0]=3 612 B12R2.2 C1=CC=C(C2=CC=CN2)C=C1 CS-W008503 [1,0,0,1,0,0|2,0,0]=4 613 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS-M2658 [1,0,0,1,0,0|2,0,0]=4 614 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 CS-W002461 [1,0,0,1,0,0|2,0,0]=4 615 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 CS-0017140 [1,0,0,1,0,0|2,0,0]=4 616 B12R2.1081 CC1=CC=CC2=C1C=CC=N2 CS-W019214 [1,0,0,1,0,0|2,0,0]=4 617 B12R2.1081 C[N+]1=CC=CC2=CC=CC=C21 CS-0452091 [1,0,0,1,0,0|1,0,0]=3 618 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 CS-0001469 [1,0,0,1,0,0|2,0,0]=4 619 B12R2.1081 IC1=CC=CC2=CC=CC=C12 CS-W007608 [1,0,0,1,0,0|2,0,0]=4 620 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 CS-W020125 [1,0,0,1,0,0|2,0,0]=4 621 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [1,0,0,1,0,0|0,0,2]=4 622 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS-W007537 [1,0,0,1,0,0|1,0,1]=4 623 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS-W007480 [1,0,0,1,0,0|2,0,0]=4 624 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [1,0,0,1,0,0|2,0,0]=4 625 B12R2.24 CC1=NC2=C(C=CC=N2)C=C1 CS-W016386 [1,0,0,1,0,0|2,0,0]=4 626 B12R2.24 CC1=NC2=CC=CC=C2N=C1 CS-W016388 [1,0,0,1,0,0|2,0,0]=4 627 B12R2.24 CC1=NC2=CC=CN=C2C=C1 CS-0021495 [1,0,0,1,0,0|2,0,0]=4 628 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS-W007458 [1,0,0,1,0,0|2,0,0]=4 629 B12R2.24 FC1=CC2=CC=CC=C2C=C1 CS-0072742 [1,0,0,1,0,0|1,0,1]=4 630 B12R2.24 FC1=NC2=CC=CC=C2C=C1 CS-D1247 [1,0,0,1,0,0|2,0,0]=4 631 B12R2.24 IC1=CC2=CC=CC=C2C=C1 CS-W005581 [1,0,0,1,0,0|1,0,1]=4 632 B12R2.24 IC1=NC2=C(C=CC=C2)C=C1 CS-0037774 [1,0,0,1,0,0|2,0,0]=4 633 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS-W007524 [1,0,0,1,0,0|2,0,0]=4 634 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 CS-0052753 [1,0,0,1,0,0|2,0,0]=4 635 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CS-W005598 [1,0,0,1,0,0|1,0,0]=3 636 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CS-8148 [1,0,0,1,0,0|0,0,0]=2 637 B12R2.24 O=C1C=CC2=CC=NC=C2N1 CS-0135920 [1,0,0,1,0,0|2,0,0]=4 638 B12R2.24 O=C1C=CC2=CN=CC=C2N1 CS-0199568 [1,0,0,1,0,0|2,0,0]=4 639 B12R2.24 O=C1C=NC2=CC=CC=C2N1 CS-W018235 [1,0,0,1,0,0|2,0,0]=4 640 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 CS-0620216 [1,0,0,1,0,0|1,0,1]=4 641 B12R2.24 O=C1CC2=CC=CC=C2CO1 CS-W016337 [1,0,0,1,0,0|1,0,1]=4 642 B12R2.24 O=C1CCC2=CC=CC=C2C1 CS-B0118 [1,0,0,1,0,0|0,0,2]=4 643 B12R2.24 O=C1CCC2=CC=CC=C2O1 CS-0018237 [1,0,0,1,0,0|0,0,2]=4 644 B12R2.24 O=C1COC2=CC=CC=C2O1 CS-0062232 [1,0,0,1,0,0|1,0,1]=4 645 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 CS-W007889 [1,0,0,1,0,0|2,0,0]=4 646 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS-W008203 [1,0,0,1,0,0|2,0,0]=4 647 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CS-0008403 [1,0,0,1,0,0|1,0,0]=3 648 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS-W003171 [1,0,0,1,0,0|2,0,0]=4 649 B12R2.24 OC1=CC=C2N=CC=CC2=C1 CS-W007818 [1,0,0,1,0,0|2,0,0]=4 650 B12R2.24 OC1=CC=C2N=CC=CC2=N1 CS-0039082 [1,0,0,1,0,0|2,0,0]=4 651 B12R2.24 OC1=NC2=CC=CC=C2C=C1 CS-0513751 [1,0,0,1,0,0|1,0,0]=3 652 B12R2.24 SC1=CC2=CC=CC=C2C=C1 CS-W016158 [1,0,0,1,0,0|0,1,1]=4 653 B12R2.24 SC1=NC2=CC=CC=C2C=C1 CS-W013264 [1,0,0,1,0,0|1,1,0]=4 654 B12R2.2403 O=S1(=O)C=CC2=CC=CC=C21 CS-0078608 [1,0,0,1,0,0|1,0,1]=4 655 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 CS-W018188 [1,0,0,1,0,0|0,0,2]=4 656 B12R2.44 COC1=CC2=C(C=C1)OC=C2 CS-0056827 [0,0,0,1,1,0|2,0,0]=4 657 B12R2.44 COC1=CC2=C(C=CN2)C=C1 CS-D1149 [0,0,0,1,1,0|2,0,0]=4 658 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS-0150275 [0,0,0,1,1,0|2,0,0]=4 659 B12R2.44 COC1=CC=C2C=CNC2=N1 CS-B0494 [0,0,0,1,1,0|2,0,0]=4 660 B12R2.44 COC1=CC=C2C=CSC2=C1 CS-B0373 [0,0,0,1,1,0|2,0,0]=4 661 B12R2.44 COC1=CC=C2NC=CC2=C1 CS-W007328 [0,0,0,1,1,0|2,0,0]=4 662 B12R2.44 COC1=CC=C2SC=CC2=C1 CS-W000070 [0,0,0,1,1,0|2,0,0]=4 663 B12R2.44 COC1=NC2=C(C=C1)NC=C2 CS-W008514 [0,0,0,1,1,0|2,0,0]=4 664 B12R2.18 CC1=CC2=CC=CC=C2N1C CS-W010998 [0,0,0,1,1,0|2,0,0]=4 665 B12R2.18 CN1C(=O)CC2=CC=CC=C21 CS-W013308 [0,0,0,1,1,0|1,0,1]=4 666 B12R2.18 CN1C(=O)NC2=CC=CC=C21 CS-0035509 [0,0,0,1,1,0|2,0,0]=4 667 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 CS-0119999 [0,0,0,1,1,0|2,0,0]=4 668 B12R2.32 CCC1=CC2=CC=CC=C2O1 CS-0141840 [0,0,0,1,1,0|1,0,1]=4 669 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS-0452270 [0,0,0,1,0,1|0,0,2]=4 670 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 CS-D1593 [0,0,0,1,0,1|0,0,2]=4 671 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 CS-W007664 [0,0,0,1,0,1|0,0,2]=4 672 B14R2.68 O=C1C=CC(C2=CC=CC=C2)=NN1 CS-W002383 [0,0,0,1,0,1|2,0,0]=4 673 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 CS-0016547 [0,0,0,1,0,1|0,0,2]=4 674 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 CS-0442401 [0,0,0,1,0,1|0,0,2]=4 675 B14R2.95 COC(=O)C1=C2C=CC=CC2=CN1 CS-0161478 [0,0,0,1,0,1|0,0,0]=2 676 B14R2.95 COC(=O)C1=C2C=CC=CN2C=C1 CS-0044826 [0,0,0,1,0,1|1,0,0]=3 677 B14R2.95 COC(=O)C1=C2C=CC=CN2N=C1 CS-0085166 [0,0,0,1,0,1|1,0,0]=3 678 B14R2.95 COC(=O)C1=C2C=NC=CN2N=C1 CS-0250536 [0,0,0,1,0,1|2,0,0]=4 679 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 CS-D1229 [0,0,0,1,0,1|0,0,0]=2 680 B14R2.95 COC(=O)C1=CNC2=CC=CN=C21 CS-0022423 [0,0,0,1,0,1|1,0,0]=3 681 B14R2.95 COC(=O)C1=CNC2=CC=NC=C21 CS-0043713 [0,0,0,1,0,1|1,0,0]=3 682 B14R2.95 COC(=O)C1=CNC2=CN=CC=C21 CS-0043710 [0,0,0,1,0,1|1,0,0]=3 683 B14R2.95 COC(=O)C1=CNC2=NC=CC=C12 CS-B0498 [0,0,0,1,0,1|1,0,0]=3 684 B14R2.95 COC(=O)C1=CNC2=NC=NC=C12 CS-0053835 [0,0,0,1,0,1|2,0,0]=4 685 B14R2.95 COC(=O)C1=CSC2=C1C=CN=C2 CS-0333353 [0,0,0,1,0,1|1,0,0]=3 686 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 CS-W020527 [0,0,0,1,0,1|1,0,0]=3 687 B14R2.95 COC(=O)C1=NNC2=NC=CC=C21 CS-0049248 [0,0,0,1,0,1|2,0,0]=4 688 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 CS-0139705 [0,0,0,1,0,1|0,0,2]=4 689 B14R2.95 N#CC(=O)C1=CNC2=C1C=CC=C2 CS-0161819 [0,0,0,1,0,1|2,0,0]=4 690 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 CS-0074466 [0,0,0,1,0,1|2,0,0]=4 691 B14R2.4514 CN1C(Br)=CN=C1C2=CC=CC=C2 CS-0006723 [0,0,0,1,0,1|2,0,0]=4 692 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 CS-W003896 [0,1,0,1,0,0|1,0,1]=4 693 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 CS-D1768 [0,1,0,1,0,0|1,0,1]=4 694 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 CS-0062218 [0,1,0,1,0,0|1,0,1]=4 695 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1N CS-0059237 [0,1,0,1,0,0|2,0,0]=4 696 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1O CS-0061735 [0,1,0,1,0,0|1,0,1]=4 697 B14R2.260 CN1N=C(C2=CC=CC=C2)CC1=O CS-0094262 [0,1,0,1,0,0|1,0,1]=4 698 B14R2.1019 COC1=CC(Br)=C2C=CC=CC2=C1 CS-0105422 [0,1,0,1,0,0|1,0,0]=3 699 B14R2.1019 COC1=CC(Br)=C2C=CC=NC2=C1 CS-B0551 [0,1,0,1,0,0|2,0,0]=4 700 B14R2.1019 COC1=CC(Br)=C2N=CC=CC2=C1 CS-0029600 [0,1,0,1,0,0|2,0,0]=4 701 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 CS-0043096 [0,1,0,1,0,0|2,0,0]=4 702 B14R2.1019 COC1=CC(N)=C2N=CC=CC2=C1 CS-W022555 [0,1,0,1,0,0|2,0,0]=4 703 B14R2.1019 COC1=CC(O)=C2C=CC=CC2=C1 CS-0148201 [0,1,0,1,0,0|1,0,0]=3 704 B14R2.1019 COC1=CC2=C(C=NC=C2)C(Br)=C1 CS-0029616 [0,1,0,1,0,0|2,0,0]=4 705 B14R2.1019 COC1=NC2=CC=CC=C2C(Cl)=C1 CS-0150208 [0,1,0,1,0,0|1,0,0]=3 706 B14R2.1019 COC1=NC2=CC=CC=C2C(O)=N1 CS-0439750 [0,1,0,1,0,0|2,0,0]=4 707 B14R2.7724 CN1C(=O)C=C(Br)C2=CC=CC=C21 CS-0151125 [0,1,0,1,0,0|1,0,0]=3 708 B14R2.7724 CN1C(=O)C=C(Cl)C2=C1C=CC=C2 CS-0254914 [0,1,0,1,0,0|1,0,0]=3 709 B14R2.7724 CN1C(=O)C=C(O)C2=C1C=CC=C2 CS-0131691 [0,1,0,1,0,0|1,0,0]=3 710 B14R2.7724 CN1C(=O)OC(=O)C2=C1C=CC=C2 CS-0008011 [0,1,0,1,0,0|2,0,0]=4 711 B14R2.20 CC1=CC=C(C2=NOC(N)=C2)C=C1 CS-0085263 [0,1,0,1,0,0|2,0,0]=4 712 B14R2.20 ClC1=CC(C2=CC=C(Br)C=C2)=NO1 CS-0616350 [0,1,0,1,0,0|2,0,0]=4 713 B14R2.20 ClC1=CC=C(C2=NOC(Cl)=C2)C=C1 CS-0616348 [0,1,0,1,0,0|2,0,0]=4 714 B14R2.20 NC1=CC(C2=CC=C(Br)C=C2)=NO1 CS-0205910 [0,1,0,1,0,0|2,0,0]=4 715 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 CS-0085264 [0,1,0,1,0,0|2,0,0]=4 716 B14R2.134 COC1=CC2=C(C=C1)C=CC(C)=N2 CS-0152758 [0,1,0,1,0,0|2,0,0]=4 717 B14R2.134 COC1=CC2=C(C=C1)C=NC(Cl)=C2 CS-0141286 [0,1,0,1,0,0|2,0,0]=4 718 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 CS-0040493 [0,1,0,1,0,0|1,0,0]=3 719 B14R2.134 COC1=CC2=CC(F)=CN=C2C=C1 CS-0150257 [0,1,0,1,0,0|2,0,0]=4 720 B14R2.134 COC1=CC2=CC(O)=CC=C2C=C1 CS-W017503 [0,1,0,1,0,0|1,0,0]=3 721 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 CS-0016775 [0,1,0,1,0,0|2,0,0]=4 722 B14R2.134 COC1=CC=C2C=CC(Cl)=NC2=C1 CS-0135015 [0,1,0,1,0,0|2,0,0]=4 723 B14R2.134 COC1=CC=C2C=CC(N)=CC2=N1 CS-0150343 [0,1,0,1,0,0|1,0,0]=3 724 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 CS-0152887 [0,1,0,1,0,0|2,0,0]=4 725 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 CS-W021877 [0,1,0,1,0,0|2,0,0]=4 726 B14R2.134 COC1=CC=C2N=CC(F)=CC2=N1 CS-0150345 [0,1,0,1,0,0|2,0,0]=4 727 B14R2.134 COC1=NC2=CC(Br)=CC=C2C=C1 CS-W022528 [0,1,0,1,0,0|1,0,0]=3 728 B14R2.134 COC1=NC2=CC(Br)=CC=C2N=C1 CS-0150012 [0,1,0,1,0,0|2,0,0]=4 729 B14R2.4513 CN1C(=O)C=NC2=C1C=C(Br)C=C2 CS-0019322 [0,1,0,1,0,0|2,0,0]=4 730 B14R2.22 NC1=CC(C2=CC(Cl)=CC=C2)=NO1 CS-0456540 [0,1,0,1,0,0|2,0,0]=4 731 B14R2.22 NC1=CC(C2=CC(O)=CC=C2)=NO1 CS-0269196 [0,1,0,1,0,0|2,0,0]=4 732 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 CS-0044492 [0,1,0,1,0,0|2,0,0]=4 733 B14R2.142 COC1=CC2=C(Br)C=CC=C2C=C1 CS-0138977 [0,1,0,1,0,0|1,0,0]=3 734 B14R2.142 COC1=CC2=C(Br)C=CN=C2C=C1 CS-W014666 [0,1,0,1,0,0|2,0,0]=4 735 B14R2.142 COC1=CC2=C(C)C=CN=C2C=C1 CS-W017550 [0,1,0,1,0,0|2,0,0]=4 736 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2O CS-W017452 [0,1,0,1,0,0|2,0,0]=4 737 B14R2.142 COC1=CC2=C(C=C1)NC=CC2=O CS-0044213 [0,1,0,1,0,0|2,0,0]=4 738 B14R2.142 COC1=CC2=C(C=CC=C2N)C=C1 CS-0150260 [0,1,0,1,0,0|1,0,0]=3 739 B14R2.142 COC1=CC2=C(C=CN=C2C)C=C1 CS-0433151 [0,1,0,1,0,0|2,0,0]=4 740 B14R2.142 COC1=CC2=C(Cl)C=CN=C2C=C1 CS-W006421 [0,1,0,1,0,0|2,0,0]=4 741 B14R2.142 COC1=CC2=C(I)N=CC=C2C=C1 CS-0462646 [0,1,0,1,0,0|2,0,0]=4 742 B14R2.142 COC1=CC=C2C=CC=C(O)C2=C1 CS-W022550 [0,1,0,1,0,0|1,0,0]=3 743 B14R2.142 COC1=CC=C2N=CC=C(N)C2=N1 CS-0099337 [0,1,0,1,0,0|2,0,0]=4 744 B14R2.142 COC1=CC=C2OC=CC(=O)C2=C1 CS-0437966 [0,1,0,1,0,0|2,0,0]=4 745 B14R2.142 COC1=CN=C2C=CC=C(N)C2=C1 CS-0654790 [0,1,0,1,0,0|2,0,0]=4 746 B14R2.142 COC1=NC2=C(Br)C=CN=C2C=C1 CS-W022558 [0,1,0,1,0,0|2,0,0]=4 747 B14R2.142 COC1=NC2=C(C=C1)NC=CC2=O CS-0062020 [0,1,0,1,0,0|2,0,0]=4 748 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 CS-W006802 [0,1,0,1,0,0|2,0,0]=4 749 B14R2.2332 CNC1=NC2=CC=C(Br)C=C2C=C1 CS-0652327 [0,1,0,1,0,0|2,0,0]=4 750 B14R2.2332 COC1=CC2=CC=C(Br)C=C2C=C1 CS-W008969 [0,1,0,1,0,0|1,0,0]=3 751 B14R2.2332 COC1=CC2=CC=C(O)C=C2C=C1 CS-W017504 [0,1,0,1,0,0|1,0,0]=3 752 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=N1 CS-0035482 [0,1,0,1,0,0|1,0,0]=3 753 B14R2.2332 COC1=CC=C2C=C(Br)C=NC2=C1 CS-0040091 [0,1,0,1,0,0|2,0,0]=4 754 B14R2.2332 COC1=CC=C2C=C(N)C=NC2=C1 CS-0097936 [0,1,0,1,0,0|2,0,0]=4 755 B14R2.2332 COC1=CC=C2N=C(Br)C=CC2=C1 CS-0312142 [0,1,0,1,0,0|2,0,0]=4 756 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 CS-W005964 [0,1,0,1,0,0|2,0,0]=4 757 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=C1 CS-W008577 [0,1,0,1,0,0|2,0,0]=4 758 B14R2.2332 COC1=CC=C2NC(=O)C=CC2=C1 CS-0216739 [0,1,0,1,0,0|2,0,0]=4 759 B14R2.112 CCOC1=CC2=CC=CC=C2C=C1 CS-W010770 [0,1,0,1,0,0|1,0,0]=3 760 B14R2.112 CNCC1=CC=C2C=CC=CC2=C1 CS-0045366 [0,1,0,1,0,0|2,0,0]=4 761 B14R2.112 OCCC1=CC=C2C=CC=CC2=C1 CS-0137971 [0,1,0,1,0,0|2,0,0]=4 762 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS-D0103 [0,1,0,1,0,0|2,0,0]=4 763 B14R2.203 CC[N+]1=C(C)C=CC2=CC=CC=C21 CS-0182951 [0,1,0,1,0,0|2,0,0]=4 764 B14R2.203 COC1=C(Br)C=CC2=C1N=CC=C2 CS-0187862 [0,1,0,1,0,0|2,0,0]=4 765 B14R2.203 COC1=C(N)C=NC2=CC=CC=C21 CS-0499040 [0,1,0,1,0,0|2,0,0]=4 766 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br CS-0041682 [0,1,0,1,0,0|1,0,0]=3 767 B14R2.203 COC1=C2C=CC=NC2=CC=C1N CS-0197274 [0,1,0,1,0,0|2,0,0]=4 768 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 CS-W008262 [0,1,0,1,0,0|0,0,1]=3 769 B14R2.972 CNC(=O)C1=NN2C=CC=CC2=C1 CS-W018350 [0,1,0,1,0,0|2,0,0]=4 770 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 CS-M2632 [0,1,0,1,0,0|0,0,0]=2 771 B14R2.972 COC(=O)C1=CC2=C(C=CN=C2)N1 CS-0183734 [0,1,0,1,0,0|1,0,0]=3 772 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)S1 CS-0316456 [0,1,0,1,0,0|1,0,0]=3 773 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 CS-0150774 [0,1,0,1,0,0|0,0,0]=2 774 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 CS-0043114 [0,1,0,1,0,0|0,0,0]=2 775 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS-D0719 [0,1,0,1,0,0|1,0,0]=3 776 B14R2.972 COC(=O)C1=CC2=CC=NC=C2S1 CS-0210757 [0,1,0,1,0,0|1,0,0]=3 777 B14R2.972 COC(=O)C1=CN2C=CC=CC2=C1 CS-0067843 [0,1,0,1,0,0|1,0,0]=3 778 B14R2.972 COC(=O)C1=CN2N=CC=CC2=C1 CS-0150764 [0,1,0,1,0,0|2,0,0]=4 779 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 CS-W022774 [0,1,0,1,0,0|1,0,0]=3 780 B14R2.972 COC(=O)C1=NC2=CC=CC=C2O1 CS-0061868 [0,1,0,1,0,0|1,0,0]=3 781 B14R2.972 COC(=O)C1=NN2C=CC=CC2=C1 CS-W018349 [0,1,0,1,0,0|1,0,0]=3 782 B14R2.972 COC(=O)C1=NN2C=CC=NC2=C1 CS-0054858 [0,1,0,1,0,0|2,0,0]=4 783 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 CS-0129856 [0,1,0,1,0,0|0,0,2]=4 784 B14R2.972 COC(=O)[C@@H]1CC2=C(C=CC=C2)N1 CS-M1687 [0,1,0,1,0,0|0,0,2]=4 785 B14R2.1128 COC1=C(Br)C=C2C=CC=CC2=C1 CS-0159355 [0,1,0,1,0,0|1,0,0]=3 786 B14R2.1128 COC1=C(Br)C=C2C=CC=NC2=C1 CS-0062124 [0,1,0,1,0,0|2,0,0]=4 787 B14R2.1128 COC1=C(N)C=C2C=CC=NC2=C1 CS-W000698 [0,1,0,1,0,0|2,0,0]=4 788 B14R2.1128 COC1=C(O)C=C2C=CC=CC2=C1 CS-0044849 [0,1,0,1,0,0|1,0,0]=3 789 B14R2.1128 COC1=CC2=C(C=C1Br)N=CC=C2 CS-0445041 [0,1,0,1,0,0|2,0,0]=4 790 B14R2.1128 COC1=CC2=C(C=NC=C2)C=C1Br CS-0203441 [0,1,0,1,0,0|2,0,0]=4 791 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl CS-0019053 [0,1,0,1,0,0|2,0,0]=4 792 B14R2.781 C=C(C)C1=CC=C2C=CC=CC2=C1 CS-0182190 [0,1,0,1,0,0|2,0,0]=4 793 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CS-B1305 [0,1,0,1,0,0|2,0,0]=4 794 B14R2.781 CC(=O)C1=NC2=C(C=CC=C2)C=C1 CS-0155072 [0,1,0,1,0,0|2,0,0]=4 795 B14R2.781 CC(N)C1=CC=C2C=CC=CC2=C1 CS-M1070 [0,1,0,1,0,0|2,0,0]=4 796 B14R2.781 CC(O)C1=CC2=CC=CC=C2C=C1 CS-0186229 [0,1,0,1,0,0|2,0,0]=4 797 B14R2.781 CN(C)C1=CC=C2C=CC=CC2=C1 CS-0181804 [0,1,0,1,0,0|2,0,0]=4 798 B14R2.781 C[C@@H](N)C1=CC=C2C=CC=CC2=C1 CS-0009131 [0,1,0,1,0,0|2,0,0]=4 799 B14R2.781 C[C@@H](O)C1=CC2=CC=CC=C2C=C1 CS-0085781 [0,1,0,1,0,0|2,0,0]=4 800 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 CS-0053589 [0,1,0,1,0,0|2,0,0]=4 801 B14R2.92 COC1=C(N)C2=CC=CC=C2C=C1 CS-0237387 [0,1,0,1,0,0|1,0,0]=3 802 B14R2.92 COC1=CC=C2C=CC=CC2=C1Br CS-W004988 [0,1,0,1,0,0|1,0,0]=3 803 B14R2.92 COC1=CC=C2C=CC=CC2=C1Cl CS-0432856 [0,1,0,1,0,0|1,0,0]=3 804 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br CS-0041650 [0,1,0,1,0,0|2,0,0]=4 805 B14R2.92 COC1=CC=C2N=CC=CC2=C1Br CS-0451649 [0,1,0,1,0,0|2,0,0]=4 806 B14R2.92 COC1=CC=C2N=CC=CC2=C1N CS-0072106 [0,1,0,1,0,0|2,0,0]=4 807 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 CS-W004895 [0,1,0,1,0,0|2,0,0]=4 808 B14R2.92 O=CC1=C(O)C2=CC=CC=C2C=C1 CS-0060583 [0,1,0,1,0,0|2,0,0]=4 809 B14R2.256 NC1=CC(C2=CC=CC=C2Br)=NO1 CS-0217139 [0,1,0,1,0,0|2,0,0]=4 810 B14R2.256 NC1=CC(C2=CC=CC=C2F)=NO1 CS-0258082 [0,1,0,1,0,0|2,0,0]=4 811 B14R2.1801 COC1=CC2=C(C=C1)C(Cl)=NC=C2 CS-D0758 [0,1,0,1,0,0|2,0,0]=4 812 B14R2.1801 COC1=CC2=NC=CC(Br)=C2C=C1 CS-W014665 [0,1,0,1,0,0|2,0,0]=4 813 B14R2.1801 COC1=CC2=NC=CC(C)=C2C=C1 CS-0153387 [0,1,0,1,0,0|2,0,0]=4 814 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2C=C1 CS-W003314 [0,1,0,1,0,0|2,0,0]=4 815 B14R2.1801 COC1=CC=C2C(=C1)C=CN=C2N CS-0318230 [0,1,0,1,0,0|2,0,0]=4 816 B14R2.1801 COC1=CC=C2C(=O)C=COC2=C1 CS-W022548 [0,1,0,1,0,0|2,0,0]=4 817 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 CS-W005589 [0,1,0,1,0,0|2,0,0]=4 818 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 CS-0071590 [0,1,0,1,0,0|2,0,0]=4 819 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 CS-0107018 [0,1,0,1,0,0|2,0,0]=4 820 B14R2.1801 COC1=CC=C2C(O)=CC=CC2=C1 CS-W006292 [0,1,0,1,0,0|1,0,0]=3 821 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 CS-W017458 [0,1,0,1,0,0|2,0,0]=4 822 B10R1.18 C=C(C)CC1=CC=CC=C1 CS-0451102 [1,0,0,0,1,0|1,0,1]=4 823 B10R1.18 CC(=O)CC1=CC=CN=C1 CS-0005378 [1,0,0,0,1,0|1,0,1]=4 824 B10R1.18 CC(=O)CC1=CC=NC=C1 CS-W002401 [1,0,0,0,1,0|1,0,1]=4 825 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [1,0,0,0,1,0|1,0,1]=4 826 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 CS-0179386 [1,0,0,0,1,0|1,0,1]=4 827 B10R1.18 CC(=O)NC1=CC=CC=N1 CS-0153962 [1,0,0,0,1,0|2,0,0]=4 828 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [1,0,0,0,1,0|2,0,0]=4 829 B10R1.18 CC(=O)OC1=CC=CN=C1 CS-0196423 [1,0,0,0,1,0|2,0,0]=4 830 B10R1.18 CC(=O)SC1=CC=CC=C1 CS-0121075 [1,0,0,0,1,0|1,0,0]=3 831 B10R1.18 CC(=S)NC1=CC=CC=C1 CS-0107756 [1,0,0,0,1,0|1,1,0]=4 832 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [1,0,0,0,1,0|1,0,0]=3 833 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [1,0,0,0,1,0|1,0,1]=4 834 B10R1.18 NC(=O)NC1=CC=CC=C1 CS-W017760 [1,0,0,0,1,0|2,0,0]=4 835 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [1,0,0,0,1,0|2,0,0]=4 836 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [1,0,0,0,1,0|1,0,1]=4 837 B10R1.18 O=C(O)CC1=CC=CN=C1 CS-W004515 [1,0,0,0,1,0|1,0,1]=4 838 B10R1.18 O=C(O)CC1=CC=NC=C1 CS-0046227 [1,0,0,0,1,0|1,0,1]=4 839 B10R1.18 O=C(O)CC1=CC=NC=C1 CS-W002081 [1,0,0,0,1,0|1,0,1]=4 840 B10R1.18 O=C(O)CC1=CN=CC=C1 CS-W016522 [1,0,0,0,1,0|1,0,1]=4 841 B10R1.66 C(C(=O)O)=CC1=CC=CO1 CS-W013327 [1,0,0,0,1,0|1,0,0]=3 842 B10R1.66 O=C(O)\C=C\C1=CC=CN1 CS-0253084 [1,0,0,0,1,0|1,0,0]=3 843 B10R1.66 O=C(O)\C=C\C1=CC=CO1 CS-0077003 [1,0,0,0,1,0|1,0,0]=3 844 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-0058700 [1,0,0,0,1,0|1,0,0]=3 845 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-W018039 [1,0,0,0,1,0|1,0,0]=3 846 B10R1.66 O=C(O)\C=C\C1=COC=C1 CS-0069679 [1,0,0,0,1,0|1,0,0]=3 847 B10R1.66 O=C(O)\C=C\C1=COC=C1 CS-0166739 [1,0,0,0,1,0|1,0,0]=3 848 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [1,0,0,0,1,0|1,0,0]=3 849 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0086036 [1,0,0,0,1,0|1,0,0]=3 850 B10R1.66 O=C(O)\C=C\C1=CSC=N1 CS-0311605 [1,0,0,0,1,0|2,0,0]=4 851 B10R1.66 O=C(O)\C=C\C1=NC=CS1 CS-0784772 [1,0,0,0,1,0|2,0,0]=4 852 B10R1.27 COC(=O)CC1=CC=CS1 CS-0042494 [0,0,0,0,2,0|1,0,1]=4 853 B10R1.27 COC(=O)CC1=CSC=C1 CS-0019239 [0,0,0,0,2,0|1,0,1]=4 854 B10R1.15 C=C(CC)C1=CC=CC=C1 CS-0187333 [0,0,0,0,2,0|2,0,0]=4 855 B10R1.15 CCC(=O)C1=CC=NC=C1 CS-0215468 [0,0,0,0,2,0|2,0,0]=4 856 B10R1.15 CNC(=O)C1=CC=CC=C1 CS-0114596 [0,0,0,0,2,0|1,0,0]=3 857 B10R1.15 CNC(=O)C1=CC=CN=C1 CS-0084271 [0,0,0,0,2,0|2,0,0]=4 858 B10R1.15 CNC(=O)C1=NC=CC=C1 CS-0181542 [0,0,0,0,2,0|2,0,0]=4 859 B10R1.15 CNC(=S)C1=CC=CC=C1 CS-0251442 [0,0,0,0,2,0|1,1,0]=4 860 B10R1.15 COC(=N)C1=CC=CC=N1 CS-0150962 [0,0,0,0,2,0|2,0,0]=4 861 B10R1.15 COC(=O)C1=CC=CC=N1 CS-W005458 [0,0,0,0,2,0|1,0,0]=3 862 B10R1.15 COC(=O)C1=CC=CN=C1 CS-D1355 [0,0,0,0,2,0|1,0,0]=3 863 B10R1.15 COC(=O)C1=CC=NC=C1 CS-D1405 [0,0,0,0,2,0|1,0,0]=3 864 B10R1.15 COC(=O)C1=CC=NC=N1 CS-0036314 [0,0,0,0,2,0|2,0,0]=4 865 B10R1.15 COC(=O)C1=CN=CN=C1 CS-D0147 [0,0,0,0,2,0|2,0,0]=4 866 B10R1.15 COC(=O)C1=NC=CC=N1 CS-M2690 [0,0,0,0,2,0|2,0,0]=4 867 B10R1.15 COC(=O)C1=NC=CN=C1 CS-0080007 [0,0,0,0,2,0|2,0,0]=4 868 B10R1.15 COS(=O)C1=CC=CC=C1 CS-M2210 [0,0,0,0,2,0|1,0,0]=3 869 B10R1.15 NCC(=O)C1=CC=CC=C1 CS-W002084 [0,0,0,0,2,0|2,0,0]=4 870 B10R1.15 NNC(=O)C1=CC=CC=C1 CS-W017759 [0,0,0,0,2,0|2,0,0]=4 871 B10R1.15 O=C(CO)C1=CC=CC=C1 CS-W002198 [0,0,0,0,2,0|2,0,0]=4 872 B10R1.15 O=C(NO)C1=CC=CC=C1 CS-0016051 [0,0,0,0,2,0|2,0,0]=4 873 B10R1.15 O=C(O[K])C1=CC=CC=C1 CS-0156574 [0,0,0,0,2,0|1,0,0]=3 874 B10R1.15 O=C(O[Na])C1=CC=CC=C1 CS-0017788 [0,0,0,0,2,0|1,0,0]=3 875 B10R1.15 O=CC(=O)C1=CC=CC=C1 CS-0130526 [0,0,0,0,2,0|2,0,0]=4 876 B10R1.15 O=S(O[Na])C1=CC=CC=C1 CS-W014314 [0,0,0,0,2,0|2,0,0]=4 877 B10R1.15 O=[PH](O[Na])C1=CC=CC=C1 CS-0434157 [0,0,0,0,2,0|2,0,0]=4 878 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 CS-0013645 [0,0,0,0,2,0|1,0,0]=3 879 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 CS-0213167 [0,0,0,0,0,2|0,0,2]=4