0 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 AT15541 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 D78382 [0,0,0,0,0,0|0,0,2]=2 2 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 H10047 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 AC7842 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 D70130 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 D78433 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 D97349 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 E10175 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 D83172 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 F10302 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.8 O=CCCOCC1=CC=CC=C1 W18571 [1,0,0,0,0,0|2,0,1]=4 11 B14R1.420 CC(C)=CCOC(=O)C1=CC=CC=C1 D88803 [0,1,0,0,0,0|3,0,0]=4 12 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 39329 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 D70180 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 55803 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 31650 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.716 CCC(=O)OC\C=C\C1=CC=CC=C1 D89507 [0,1,0,0,0,0|0,0,0]=1 17 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 D92108 [0,1,0,0,0,0|1,0,2]=4 18 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 AB7459 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50114 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 51539 [0,0,0,1,0,0|2,0,1]=4 21 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 33918 [0,0,0,1,0,0|1,0,1]=3 22 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 77171 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 53982 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [0,0,0,1,0,0|0,0,2]=3 25 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [0,0,0,1,0,0|1,0,2]=4 26 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [0,0,0,1,0,0|1,0,2]=4 27 B14R2.21 CC1=CC=CC(C2=CC=CC=C2)=C1 64243 [0,0,0,1,0,0|2,0,1]=4 28 B14R2.21 CC1=CC=CC(C2=CC=CC=C2)=N1 T72489 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.21 CC1=CN=CC(C2=CC=CC=C2)=C1 D91443 [0,0,0,1,0,0|3,0,0]=4 30 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 53410 [0,0,0,1,0,0|1,0,2]=4 31 B14R2.21 O=C1N=C(C2=CC=CC=C2)C=CN1 N10829 [0,0,0,1,0,0|2,0,1]=4 32 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 80846 [0,0,0,1,0,0|2,0,1]=4 33 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 D70015 [0,0,0,1,0,0|1,0,1]=3 34 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 F31068 [0,0,0,1,0,0|2,0,0]=3 35 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 D88460 [0,0,0,1,0,0|1,0,2]=4 36 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 S10611 [0,0,0,1,0,0|2,0,1]=4 37 B14R2.31359 O=C(Cl)C1=CC=CC2=CC=CC=C21 F11279 [0,0,0,1,0,0|2,0,1]=4 38 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C21 AC8079 [0,0,0,1,0,0|2,0,1]=4 39 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 25914 [0,0,0,1,0,0|3,0,0]=4 40 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [0,0,0,0,1,0|1,0,1]=3 41 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [0,0,0,0,1,0|1,0,1]=3 42 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [0,0,0,0,1,0|2,0,1]=4 43 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [0,0,0,0,1,0|1,0,2]=4 44 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [0,0,0,0,1,0|2,0,1]=4 45 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [0,0,0,0,1,0|2,0,1]=4 46 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [0,0,0,0,1,0|2,0,1]=4 47 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [0,0,0,0,1,0|2,0,1]=4 48 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [0,0,0,0,1,0|2,0,1]=4 49 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [0,0,0,0,1,0|2,0,1]=4 50 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [0,0,0,0,1,0|1,0,0]=2 51 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [0,0,0,0,1,0|1,0,2]=4 52 B11R1.28 CCO\C=N\C1=CC=CC=C1 H11958 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.28 CNC\C=C\C1=CC=CC=C1 A11412 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.28 COCCSC1=CC=CC=C1 W18561 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [2,0,0,0,0,0|0,0,2]=4 56 B11R1.28 O=CCOCC1=CC=CC=C1 35646 [2,0,0,0,0,0|1,0,1]=4 57 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 AC8020 [1,1,0,0,0,0|0,0,2]=4 58 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 11821 [0,1,0,0,1,0|0,0,0]=2 60 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CX1085 [0,1,0,0,1,0|1,0,1]=4 61 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 S11321 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 D77774 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 C10738 [0,1,0,0,1,0|1,0,1]=4 64 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 D78474 [0,1,0,0,1,0|2,0,0]=4 65 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 Y10620 [0,1,0,0,1,0|1,0,1]=4 66 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 C73797 [0,1,0,0,1,0|1,0,1]=4 67 B15R1.3664 CC(C)C(=O)OCC=CC1=CC=CC=C1 D95780 [0,1,0,0,0,1|1,0,1]=4 68 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 29605 [0,2,0,0,0,0|1,0,1]=4 69 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 D95717 [0,2,0,0,0,0|0,0,0]=2 70 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 F13284 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 49522 [1,0,0,1,0,0|1,0,1]=4 72 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 82911 [1,0,0,1,0,0|1,0,1]=4 73 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 38038 [1,0,0,1,0,0|0,0,1]=3 74 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 88201 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 D70897 [1,0,0,1,0,0|1,0,1]=4 76 B13R2.1613 O=CC1=NC=CC2=CC=CC=C21 61404 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 F10703 [0,0,0,1,1,0|1,1,0]=4 78 B13R2.10 O=C1C=C(C2=CC=CC=C2)NO1 D95560 [0,0,0,1,1,0|1,0,1]=4 79 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 N10055 [0,0,0,1,1,0|2,0,0]=4 80 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 65136 [0,0,0,1,1,0|2,0,0]=4 81 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [0,0,0,1,1,0|1,0,1]=4 82 B13R2.10 O=C1NC=C(C2=CC=CC=C2)N1 C90524 [0,0,0,1,1,0|2,0,0]=4 83 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [0,0,0,1,1,0|1,0,1]=4 84 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [0,0,0,1,1,0|1,0,1]=4 85 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [0,0,0,1,1,0|1,0,1]=4 86 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 W10344 [0,0,0,1,1,0|1,0,1]=4 87 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 71031 [0,0,0,1,1,0|1,0,1]=4 88 B13R2.72 CC(=O)N1N=CC2=C1C=CC=C2 O10245 [0,0,0,1,1,0|2,0,0]=4 89 B13R2.163 O=C1CC2=C(C=CC=C2)C=CN1 32291 [0,0,0,1,1,0|1,0,0]=3 90 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 73701 [0,0,0,1,0,1|2,0,0]=4 91 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 F19953 [0,0,0,1,0,1|2,0,0]=4 92 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 73362 [0,0,0,1,0,1|0,0,2]=4 93 B15R2.68122 CC(=O)OC1=CC=CC2=CC=CC=C21 D88202 [0,0,0,1,0,1|0,0,1]=3 94 B15R2.68122 CC(=O)OC1=CC=CC2=CC=CN=C21 D95898 [0,0,0,1,0,1|1,0,1]=4 95 B15R2.1668 CC(=O)CC1=NC2=CC=CC=C2C=C1 D81627 [0,1,0,1,0,0|1,0,1]=4 96 B15R2.14628 CC(=O)C1=CC=C(Br)C2=CC=CC=C12 AB2703 [0,1,0,1,0,0|1,0,1]=4 97 B15R2.14628 CC(=O)C1=CC=C(C)C2=CC=CC=C12 AB1530 [0,1,0,1,0,0|1,0,1]=4 98 B15R2.14628 CC(=O)C1=CC=C(F)C2=CC=CC=C12 20579 [0,1,0,1,0,0|1,0,1]=4 99 B15R2.9410 CC(=O)OC1=CNC2=C1C=C(Br)C=C2 F11719 [0,1,0,1,0,0|1,0,1]=4 100 B15R2.79765 CNC(=O)C1=CC=CC2=CC=CC=C21 P11575 [0,1,0,1,0,0|1,0,1]=4 101 B15R2.79765 COC(=O)C1=CC=CC2=CC=CC=C21 D91749 [0,1,0,1,0,0|1,0,1]=4 102 B15R2.1162 CC(=O)C1=C(O)C=CC2=CC=CC=C21 73692 [0,1,0,1,0,0|1,0,1]=4 103 B15R3.14759 O=C1CC2=C3C(=CC=C2)C=CC=C13 29077 [0,0,0,2,0,0|1,0,1]=4 104 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [0,0,0,0,2,0|1,1,0]=4 105 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [0,0,0,0,2,0|0,0,1]=3 106 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [0,0,0,0,2,0|1,0,0]=3 107 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [0,0,0,0,2,0|1,0,0]=3 108 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [0,0,0,0,2,0|2,0,0]=4 109 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [0,0,0,0,2,0|1,0,0]=3 110 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [0,0,0,0,2,0|0,0,0]=2 111 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [0,0,0,0,2,0|0,0,0]=2 112 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [0,0,0,0,2,0|1,0,1]=4 113 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [0,0,0,0,2,0|2,0,0]=4 114 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [0,0,0,0,2,0|2,0,0]=4 115 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [0,0,0,0,2,0|1,0,0]=3 116 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 29382 [0,0,0,0,2,0|1,0,0]=3 117 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC7815 [0,0,0,0,2,0|1,0,0]=3 118 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [0,0,0,0,2,0|1,0,1]=4 119 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [0,0,0,0,2,0|1,0,1]=4 120 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [0,0,0,0,2,0|2,0,0]=4 121 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [0,0,0,0,2,0|2,0,0]=4 122 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [0,0,0,0,2,0|2,0,0]=4 123 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 D70605 [0,0,0,0,2,0|1,0,0]=3 124 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 A10227 [0,0,0,0,2,0|2,0,0]=4 125 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 65474 [0,0,0,0,2,0|2,0,0]=4 126 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 28919 [0,0,0,0,2,0|2,0,0]=4 127 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 C90173 [0,0,0,0,2,0|2,0,0]=4 128 B11R1.91 O=C([O-])C=CC1=CC=CC=C1 D82494 [0,0,0,0,2,0|1,0,0]=3 129 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [0,0,0,0,2,0|2,0,0]=4 130 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [0,0,0,0,2,0|2,0,0]=4 131 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [0,0,0,0,2,0|2,0,0]=4 132 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 77768 [0,0,0,0,2,0|2,0,0]=4 133 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 D72576 [0,0,0,0,2,0|2,0,0]=4