0 B13R1.337 CC(=O)CCOCC1=CC=CC=C1 AT15541 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 D78382 [0,0,0,0,0,0|0,0,0]=0 2 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 H10047 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 AC7842 [0,0,0,0,0,0|0,0,2]=2 4 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 D70130 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 D78433 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 D97349 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 E10175 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 D83172 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.8 BrCCCCCC1=CC=CC=C1 S10028 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 C=CCCNCC1=CC=CC=C1 W12766 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.8 CCCCCCC1=CC=CC=C1 65014 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.8 CCCCCCC1=NC=CC=C1 D83986 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.8 CCCCCC[N+]1=CC=CC=C1 D94652 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.8 CCCCNCC1=CC=CC=C1 D88887 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.8 CNCCCCC1=CC=CC=C1 AR1724 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.8 CNCCNCC1=CC=CC=C1 AB2659 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.8 O=CCCOCC1=CC=CC=C1 W18571 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.8 OCCCCCC1=CC=CC=C1 D92109 [1,0,0,0,0,0|1,0,2]=4 19 B14R1.148 O=C(O)CCCOC1=CC=CC(Br)=C1 W16092 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 39329 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 55803 [0,1,0,0,0,0|2,0,0]=3 22 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 30978 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 I10972 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.677 O=C(O)CCCCC1=CC=C(Br)C=C1 F20155 [0,1,0,0,0,0|2,0,0]=3 25 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 W10185 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 D82352 [0,1,0,0,0,0|2,0,0]=3 27 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 W16999 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.716 CCC(=O)OC\C=C\C1=CC=CC=C1 D89507 [0,1,0,0,0,0|0,0,2]=3 29 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 D92108 [0,1,0,0,0,0|1,0,0]=2 30 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 AB7459 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 D77780 [0,1,0,0,0,0|2,0,1]=4 32 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 F14832 [0,1,0,0,0,0|2,0,1]=4 33 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62362 [0,1,0,0,0,0|2,0,0]=3 34 B14R1.6449 C=C(C)C(=O)NCCC1=CC=CC=C1 D93812 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O 78265 [0,1,0,0,0,0|2,0,0]=3 36 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O C74795 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O W15607 [0,1,0,0,0,0|2,0,0]=3 38 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 34417 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O 53236 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O C10808 [0,1,0,0,0,0|3,0,0]=4 41 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O D95587 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O I11103 [0,1,0,0,0,0|3,0,0]=4 43 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O FD21339 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 33918 [0,0,0,1,0,0|1,0,2]=4 45 B14R2.2 O=C(O)CN1CCC2=C1C=CC=C2 W11742 [0,0,0,1,0,0|3,0,0]=4 46 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 53982 [0,0,0,1,0,0|2,0,0]=3 47 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [0,0,0,1,0,0|0,0,0]=1 48 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [0,0,0,1,0,0|1,0,0]=2 49 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [0,0,0,1,0,0|1,0,0]=2 50 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 65775 [0,0,0,1,0,0|1,2,0]=4 51 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 65778 [0,0,0,1,0,0|1,2,0]=4 52 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 53410 [0,0,0,1,0,0|1,0,0]=2 53 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 20399 [0,0,0,1,0,0|3,0,0]=4 54 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F50348 [0,0,0,1,0,0|3,0,0]=4 55 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 F52521 [0,0,0,1,0,0|3,0,0]=4 56 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 80846 [0,0,0,1,0,0|2,0,0]=3 57 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 D88460 [0,0,0,1,0,0|1,0,0]=2 58 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 34029 [0,0,0,1,0,0|2,0,0]=3 59 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 CK2436 [0,0,0,1,0,0|2,0,0]=3 60 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 H11405 [0,0,0,1,0,0|2,0,0]=3 61 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 35716 [0,0,0,1,0,0|3,0,0]=4 62 B14R2.31359 O=C(O)[C@@H]1NCCC2=C1C=CC=C2 66642 [0,0,0,1,0,0|3,0,0]=4 63 B14R2.31359 O=C(O)[C@@H]1OCCC2=C1C=CC=C2 AR3056 [0,0,0,1,0,0|3,0,0]=4 64 B12R1.252 CC(=O)COCC1=CC=CC=C1 11068 [0,0,0,0,1,0|1,0,0]=2 65 B12R1.252 CC(=O)NCCC1=CC=CC=C1 28552 [0,0,0,0,1,0|1,0,0]=2 66 B12R1.252 CC(C)CNCC1=CC=CC=C1 71268 [0,0,0,0,1,0|2,0,1]=4 67 B12R1.252 CN(C)CCOC1=CC=CC=C1 35711 [0,0,0,0,1,0|3,0,0]=4 68 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11414 [0,0,0,0,1,0|1,0,2]=4 69 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 A11416 [0,0,0,0,1,0|1,0,2]=4 70 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 C72530 [0,0,0,0,1,0|1,0,2]=4 71 B12R1.252 Cl[SiH](Cl)CCCC1=CC=CC=C1 D95413 [0,0,0,0,1,0|2,1,0]=4 72 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [0,0,0,0,1,0|2,1,0]=4 73 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 FD7227 [0,0,0,0,1,0|2,0,0]=3 74 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CX1106 [0,0,0,0,1,0|1,0,0]=2 75 B12R1.252 O=C(O)CCNC1=CC=CC=C1 30827 [0,0,0,0,1,0|2,0,0]=3 76 B12R1.252 O=C(O)CCOC1=CC=CC=C1 11256 [0,0,0,0,1,0|2,0,0]=3 77 B12R1.252 O=C(O)CCSC1=CC=CC=C1 D94986 [0,0,0,0,1,0|2,0,0]=3 78 B12R1.252 O=C(O)CNCC1=CC=CC=C1 26468 [0,0,0,0,1,0|2,0,0]=3 79 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AB6138 [0,0,0,0,1,0|2,0,0]=3 80 B12R1.252 O=C(O)COCC1=CC=CC=C1 53674 [0,0,0,0,1,0|2,0,0]=3 81 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 F14822 [0,0,0,0,1,0|1,0,2]=4 82 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 F14969 [0,0,0,0,1,0|1,0,0]=2 83 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 92620 [0,0,0,0,0,1|2,0,0]=3 84 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 78641 [0,0,0,0,0,1|2,0,0]=3 85 B14R1.422 O=[N+]([O-])CCCCNC1=CC=CC=C1 Y10787 [0,0,0,0,0,1|3,0,0]=4 86 B11R1.28 BrCCCCC1=CC=CC=C1 70737 [2,0,0,0,0,0|1,0,1]=4 87 B11R1.28 C=CCNCC1=CC=CC=C1 51314 [2,0,0,0,0,0|1,0,1]=4 88 B11R1.28 C=CCNCC1=CC=CC=C1 51315 [2,0,0,0,0,0|1,0,1]=4 89 B11R1.28 C=CCOCC1=CC=CC=C1 CS1050 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.28 CCCCCC1=CC=CC=C1 D88261 [2,0,0,0,0,0|0,0,1]=3 91 B11R1.28 CCCNCC1=CC=CC=C1 C78030 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.28 CCNCCC1=CC=CC=C1 F20148 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.28 CNCCCC1=CC=CC=C1 AR1442 [2,0,0,0,0,0|1,0,0]=3 94 B11R1.28 COCCNC1=NC=CC=C1 D94270 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.28 COCCSC1=CC=CC=C1 W18561 [2,0,0,0,0,0|1,0,0]=3 96 B11R1.28 ClCCCCC1=CC=CC=C1 D92122 [2,0,0,0,0,0|1,0,1]=4 97 B11R1.28 NCCCCC1=CC=CC=C1 D88381 [2,0,0,0,0,0|1,0,1]=4 98 B11R1.28 O=C=NCCC1=CC=CC=C1 D92144 [2,0,0,0,0,0|1,0,1]=4 99 B11R1.28 O=CCCCC1=CC=CC=C1 D71263 [2,0,0,0,0,0|0,0,0]=2 100 B11R1.28 O=CCOCC1=CC=CC=C1 35646 [2,0,0,0,0,0|1,0,0]=3 101 B11R1.28 OCCCCC1=CC=CC=C1 70774 [2,0,0,0,0,0|0,0,2]=4 102 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 28501 [1,1,0,0,0,0|1,0,1]=4 103 B13R1.9 CCCCCCC1=CC=C(N)C=C1 O11232 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.9 CCCCCCC1=CC=C(O)C=C1 D90917 [1,1,0,0,0,0|1,0,1]=4 105 B13R1.24 CCCCC[C@H](O)C1=CC=CC=C1 D92145 [1,1,0,0,0,0|1,0,1]=4 106 B13R1.28 BrCCCCCCC1=CC=CC=C1 D70348 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.28 O=CCCCOCC1=CC=CC=C1 A10052 [1,1,0,0,0,0|1,0,0]=3 108 B13R1.28 OCCOCCOC1=CC=CC=C1 81837 [1,1,0,0,0,0|1,0,1]=4 109 B13R1.28 OC\C=C\COCC1=CC=CC=C1 D93011 [1,1,0,0,0,0|2,0,0]=4 110 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 28444 [1,1,0,0,0,0|0,0,2]=4 111 B13R1.718 COC(=O)CCCC1=CC=CC=C1 F51620 [1,1,0,0,0,0|2,0,0]=4 112 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 11299 [0,1,0,0,1,0|1,0,1]=4 113 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 11821 [0,1,0,0,1,0|0,0,1]=3 114 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 30438 [0,1,0,0,1,0|2,0,0]=4 115 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 31345 [0,1,0,0,1,0|2,0,0]=4 116 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CX1085 [0,1,0,0,1,0|1,0,1]=4 117 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 F13630 [0,1,0,0,1,0|1,0,0]=3 118 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 20761 [0,1,0,0,1,0|1,0,0]=3 119 B13R1.158 O=C(O)CCOC1=C(Br)C=CC=C1 W12469 [0,1,0,0,1,0|2,0,0]=4 120 B13R1.348 CC(C)C[C@H](O)CC1=CC=CC=C1 D91564 [0,1,0,0,1,0|1,0,1]=4 121 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 93824 [0,1,0,0,1,0|2,0,0]=4 122 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 50990 [0,1,0,0,1,0|1,0,0]=3 123 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 F12089 [0,1,0,0,1,0|1,0,0]=3 124 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10310 [0,1,0,0,1,0|1,0,0]=3 125 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O C10936 [0,1,0,0,1,0|2,0,0]=4 126 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O O10204 [0,1,0,0,1,0|2,0,0]=4 127 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28665 [0,1,0,0,1,0|1,0,0]=3 128 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 28667 [0,1,0,0,1,0|1,0,0]=3 129 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 31133 [0,1,0,0,1,0|1,0,0]=3 130 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 62300 [0,1,0,0,1,0|1,0,0]=3 131 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O FD21309 [0,1,0,0,1,0|2,0,0]=4 132 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 C10644 [0,1,0,0,1,0|1,0,1]=4 133 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 59160 [0,1,0,0,1,0|1,0,0]=3 134 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 O10214 [0,1,0,0,1,0|1,0,0]=3 135 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 Y10620 [0,1,0,0,1,0|1,0,0]=3 136 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 66770 [0,1,0,0,1,0|1,0,0]=3 137 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 33990 [0,1,0,0,1,0|1,0,0]=3 138 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 F13641 [0,1,0,0,1,0|1,0,0]=3 139 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 S10904 [0,1,0,0,1,0|1,0,0]=3 140 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 61020 [0,1,0,0,1,0|1,0,0]=3 141 B13R1.513 O=C(O)CCCC1=CC=C(I)C=C1 VT1082 [0,1,0,0,1,0|1,0,0]=3 142 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 25617 [0,1,0,0,1,0|1,0,0]=3 143 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 AC7980 [0,1,0,0,1,0|2,0,0]=4 144 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 75626 [0,1,0,0,1,0|2,0,0]=4 145 B13R1.3523 CS(=O)(=O)OCCC1=CC=CC=C1 C73797 [0,1,0,0,1,0|1,0,0]=3 146 B15R1.497 O=C(O)CCCCC(=O)C1=CC=CC=C1 D86448 [0,1,0,0,0,1|2,0,0]=4 147 B15R1.3664 C=C(C)C(=O)OCCCC1=CC=NC=C1 D94071 [0,1,0,0,0,1|2,0,0]=4 148 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 29605 [0,2,0,0,0,0|1,0,1]=4 149 B15R1.741 COC(=O)C=C(C)CCC1=CC=CC=C1 D86931 [0,2,0,0,0,0|1,0,1]=4 150 B15R1.741 COC(=O)C[C@H](C)NCC1=CC=CC=C1 55927 [0,2,0,0,0,0|2,0,0]=4 151 B15R1.778 CCCC(=O)OCC=CC1=CC=CC=C1 D95717 [0,2,0,0,0,0|0,0,2]=4 152 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 D92099 [0,2,0,0,0,0|2,0,0]=4 153 B15R1.778 CCOC(=O)CCNCC1=CC=CC=C1 60927 [0,2,0,0,0,0|2,0,0]=4 154 B15R1.778 CCOC(=O)\C=C\CCC1=CC=CC=C1 D93497 [0,2,0,0,0,0|1,0,1]=4 155 B15R1.1321 COC(=O)[C@@H](N)COCC1=CC=CC=C1 C10388 [0,2,0,0,0,0|2,0,0]=4 156 B15R1.1321 COC(=O)[C@@H](N)CSCC1=CC=CC=C1 FD21334 [0,2,0,0,0,0|2,0,0]=4 157 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 46624 [0,2,0,0,0,0|2,0,0]=4 158 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 27704 [1,0,0,1,0,0|1,0,1]=4 159 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 69510 [1,0,0,1,0,0|1,0,1]=4 160 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 69511 [1,0,0,1,0,0|1,0,1]=4 161 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 S12313 [1,0,0,1,0,0|1,0,1]=4 162 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 50833 [1,0,0,1,0,0|2,0,0]=4 163 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 S12011 [1,0,0,1,0,0|2,0,0]=4 164 B13R2.15 O=C1CCCN1C2=CC=CC=C2 AC1348 [1,0,0,1,0,0|2,0,0]=4 165 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 P10024 [1,0,0,1,0,0|2,0,0]=4 166 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 AR1412 [1,0,0,1,0,0|1,0,1]=4 167 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 F14617 [1,0,0,1,0,0|1,0,0]=3 168 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 59670 [1,0,0,1,0,0|2,0,0]=4 169 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 P10194 [1,0,0,1,0,0|2,0,0]=4 170 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 66622 [1,0,0,1,0,0|1,0,0]=3 171 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 25896 [1,0,0,1,0,0|2,0,0]=4 172 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 D78316 [0,0,0,1,1,0|2,0,0]=4 173 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 D92106 [0,0,0,1,1,0|1,0,0]=3 174 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [0,0,0,1,1,0|1,0,0]=3 175 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [0,0,0,1,1,0|1,0,0]=3 176 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [0,0,0,1,1,0|1,0,0]=3 177 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [0,0,0,1,1,0|1,0,0]=3 178 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 71031 [0,0,0,1,1,0|1,0,0]=3 179 B13R2.72 O=C(O)[C@@H]1CCC2=C1C=CC=C2 25152 [0,0,0,1,1,0|1,0,0]=3 180 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 23936 [0,0,0,1,1,0|1,0,0]=3 181 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 25949 [0,0,0,1,1,0|2,0,0]=4 182 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P17280 [0,0,0,1,1,0|1,0,0]=3 183 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 55229 [0,0,0,1,1,0|1,0,0]=3 184 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 55235 [0,0,0,1,1,0|1,0,0]=3 185 B13R2.3122 C[C@]1(O)CCCC2=C1C=CC=C2 D93667 [0,0,0,1,1,0|0,0,2]=4 186 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 20531 [0,0,0,1,0,1|1,0,0]=3 187 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 36517 [0,0,0,1,0,1|1,0,0]=3 188 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SC3111 [0,0,0,1,0,1|1,0,0]=3 189 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 71606 [0,0,0,1,0,1|1,0,0]=3 190 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 73362 [0,0,0,1,0,1|0,0,0]=2 191 B15R2.388 O=S1(=O)OCC[C@@H]1CC2=CC=CC=C2 C76417 [0,0,0,1,0,1|2,0,0]=4 192 B15R2.617 O=C1CC(COCC2=CC=CC=C2)C1 P10694 [0,0,0,1,0,1|1,0,0]=3 193 B15R2.1241 O=C(O)[C@@H]1CCN1CC2=CC=CC=C2 AB1148 [0,0,0,1,0,1|2,0,0]=4 194 B15R2.384 CC(=O)N1CCCC2=C1C=CC(Br)=C2 31221 [0,1,0,1,0,0|1,0,0]=3 195 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 20758 [0,1,0,1,0,0|2,0,0]=4 196 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 67674 [0,1,0,1,0,0|2,0,0]=4 197 B15R2.28 NC1=CC=C(N2CCNC(=O)C2)C=C1 30910 [0,1,0,1,0,0|2,0,0]=4 198 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 56001 [0,1,0,1,0,0|1,0,0]=3 199 B15R2.9410 O=C(O)C[C@H]1CCC2=C1C=C(F)C=C2 27768 [0,1,0,1,0,0|2,0,0]=4 200 B15R2.32 O=C1OCCN(C2=CC=CC=C2)C1=O W11707 [0,1,0,1,0,0|1,0,1]=4 201 B15R2.79765 O=C(CCl)N1CCCC2=C1C=CC=C2 D95901 [0,1,0,1,0,0|1,0,0]=3 202 B15R2.27 O=C1CC(=O)CC(C2=CC=CC=C2)C1 H10772 [0,1,0,1,0,0|1,0,1]=4 203 B15R2.325 O=C1N[C@@H](CC2=CC=CC=C2)C(=O)O1 F10647 [0,1,0,1,0,0|1,0,1]=4 204 B11R1.91 CC(=N)SCC1=CC=CC=C1 77568 [0,0,0,0,2,0|1,1,0]=4 205 B11R1.91 CC(=O)CCC1=CC=CC=C1 P17497 [0,0,0,0,2,0|0,0,0]=2 206 B11R1.91 CC(=O)COC1=CC=CC=C1 34157 [0,0,0,0,2,0|1,0,0]=3 207 B11R1.91 CC(=O)NCC1=CC=CC=C1 D70359 [0,0,0,0,2,0|1,0,0]=3 208 B11R1.91 CC(=O)NNC1=CC=CC=C1 F11205 [0,0,0,0,2,0|2,0,0]=4 209 B11R1.91 CC(=O)OCC1=NC=CC=C1 C13980 [0,0,0,0,2,0|1,0,0]=3 210 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70186 [0,0,0,0,2,0|0,0,2]=4 211 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 D70528 [0,0,0,0,2,0|0,0,2]=4 212 B11R1.91 CN(C)CCC1=CC=CC=C1 F12470 [0,0,0,0,2,0|2,0,0]=4 213 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 28916 [0,0,0,0,2,0|0,0,2]=4 214 B11R1.91 N=C(N)CCC1=CC=CC=C1 C15393 [0,0,0,0,2,0|2,0,0]=4 215 B11R1.91 NC(=O)CCC1=CC=CC=C1 S11404 [0,0,0,0,2,0|1,0,0]=3 216 B11R1.91 NC(=O)CNC1=CC=CC=C1 71765 [0,0,0,0,2,0|2,0,0]=4 217 B11R1.91 NC(=O)NCC1=CC=CC=C1 67608 [0,0,0,0,2,0|2,0,0]=4 218 B11R1.91 NC(=O)OCC1=CC=CC=C1 11833 [0,0,0,0,2,0|1,0,0]=3 219 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 78923 [0,0,0,0,2,0|1,0,0]=3 220 B11R1.91 O=C(O)CCC1=CC=CC=C1 65006 [0,0,0,0,2,0|1,0,0]=3 221 B11R1.91 O=C(O)CCC1=CC=NC=C1 78791 [0,0,0,0,2,0|2,0,0]=4 222 B11R1.91 O=C(O)CCC1=CN=CC=C1 A10240 [0,0,0,0,2,0|2,0,0]=4 223 B11R1.91 O=C(O)CCC1=NC=CC=C1 S11406 [0,0,0,0,2,0|2,0,0]=4 224 B11R1.91 O=C(O)CNC1=CC=CC=C1 29550 [0,0,0,0,2,0|2,0,0]=4 225 B11R1.91 O=C(O)COC1=CC=CC=C1 D70383 [0,0,0,0,2,0|2,0,0]=4 226 B11R1.91 O=C(O)CSC1=CC=CC=C1 D70930 [0,0,0,0,2,0|2,0,0]=4 227 B11R1.91 O=C([O-])CNC1=CC=CC=C1 D91919 [0,0,0,0,2,0|2,0,0]=4 228 B11R1.91 O=C([O-])COC1=CC=CC=C1 D70384 [0,0,0,0,2,0|2,0,0]=4 229 B11R1.91 O=C([O-])COC1=CC=CC=C1 D79781 [0,0,0,0,2,0|2,0,0]=4 230 B11R1.172 O=C(O)CCCC1=CC=CS1 28818 [0,0,0,0,2,0|2,0,0]=4