0 B8R0.4 C#CCCCCCCBr AT14297 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 C#CCCCCCCI AT14299 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 C#CCCCCCCN AT24987 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.4 C#CCCCCCCN D76981 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCCCCCN D76475 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 NOCCOCCO C70226 [1,0,0,0,0,0|3,0,0]=4 6 B9R0.2 CNCCOCCC(=O)O C70436 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.45 CC\C=C\CCCCC=O P17001 [0,1,0,0,0,0|1,0,1]=3 8 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.8 C=CCC1CCOCC1 D75530 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.8 ClCCC1CCOCC1 W16120 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.12 O=C\C=C\C1CCCC1 59600 [0,0,0,1,0,0|1,0,1]=3 12 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.15 C[C@H]1CCCC[C@@H]1NN C92106 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.16 C=CCCC[C@H]1C[C@@H]1O C12691 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.33 O=C1NCCN1CCBr AC9134 [0,0,0,1,0,0|3,0,0]=4 19 B6R0.6 NNCCCCO AB9420 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.6 O=CNCCCF AT22548 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.1 CCCC[C@H](N)CCO AT14318 [1,1,0,0,0,0|0,0,2]=4 22 B8R0.6 CCCCOC(=O)C=O 39366 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.75 CSCCCC[C@H](N)C(=O)O 70962 [0,2,0,0,0,0|2,0,0]=4 24 B10R0.75 NCCCCC[C@H](N)C(=O)O AT25880 [0,2,0,0,0,0|2,0,0]=4 25 B8R1.2 CC[C@H]1CCCCN1 I11451 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.2 NC[C@H]1CCCOC1 P12202 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.2 NC[C@H]1CCCOC1 P12792 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [1,0,0,1,0,0|1,0,0]=3 29 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.5 N[C@H]1COCCC1=O E73090 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.5 O=C1NCCC[C@@H]1O D77061 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.8 COC[C@H]1CCNC1 P12587 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.8 NOCC1CCCC1 Y11655 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.8 O=CC[C@H]1CCOC1 E72813 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.10 OCCCC1CCC1 F52481 [1,0,0,1,0,0|0,0,2]=4 38 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.11 CN[C@H]1CCNC1=O AT19094 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.11 O=C1CCCN1CO D86008 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.12 CNC1CCC1OC AT11411 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.13 COCC1CCC1N AT20685 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.22 C[C@H]1COCCCN1 AT11439 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.22 C[C@H]1COCCCN1 AT11440 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.22 SC1CCCCCC1 D76599 [1,0,0,1,0,0|0,1,1]=4 48 B8R1.36 NOCCCC1CC1 AT26811 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,1,0,1,0,0|1,0,0]=3 50 B10R1.18 CC(=O)N[C@H]1CCCNC1 D76222 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.18 O=C(O)C[C@H]1CCCCN1 C16162 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O AT24543 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.61 C[C@H]1CCNC[C@@H]1C(=O)O AT24544 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98555 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98556 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.348 O=C(O)[C@H]1CCCCNC1 F16355 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,1,0,1,0,0|2,0,0]=4 59 B10R2.31 O=C1CNC2CCC2N1 AT24536 [0,0,0,2,0,0|2,0,0]=4 60 B10R2.302 CN1C(=O)N[C@@H]2CC[C@@H]21 94763 [0,0,0,2,0,0|2,0,0]=4 61 B10R2.178 O=C1NCC2CCC1N2 P12579 [0,0,0,2,0,0|2,0,0]=4 62 B10R2.178 O=C1NCC2CC[C@@H]1N2 I10809 [0,0,0,2,0,0|2,0,0]=4 63 B10R2.62 O=C1CC2CCC1CN2 P19482 [0,0,0,2,0,0|2,0,0]=4 64 B10R2.62 O=C1CC2CCN1CC2 F52211 [0,0,0,2,0,0|2,0,0]=4 65 B10R2.320 O=C1CC2OCCCC12 33449 [0,0,0,2,0,0|2,0,0]=4 66 B10R2.320 O=C1C[C@@H]2CCCC[C@H]12 E73250 [0,0,0,2,0,0|1,0,0]=3 67 B10R2.32 O=C1CC[C@@H]2CCC[C@H]12 E73246 [0,0,0,2,0,0|1,0,0]=3 68 B10R2.32 O=C1NCC2CCCC12 AT20359 [0,0,0,2,0,0|1,0,0]=3 69 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 P15658 [0,0,0,2,0,0|2,0,0]=4 70 B10R2.32 O=C1NC[C@@H]2COC[C@H]12 D79547 [0,0,0,2,0,0|2,0,0]=4 71 B10R2.15 O=C1CCOCC12CC2 P13025 [0,0,0,2,0,0|2,0,0]=4 72 B10R2.15 O=C1CNCCC12CC2 P13520 [0,0,0,2,0,0|2,0,0]=4 73 B10R2.15 O=C1NCCCC12CC2 AT22592 [0,0,0,2,0,0|1,0,0]=3 74 B10R2.41 O=C1C2CCC1CNC2 38655 [0,0,0,2,0,0|2,0,0]=4 75 B10R2.41 O=C1C2CCCC1CC2 E73342 [0,0,0,2,0,0|1,0,0]=3 76 B10R2.41 O=C1[C@@H]2CC[C@H]1CSC2 E71101 [0,0,0,2,0,0|2,0,0]=4 77 B10R2.109 O=CC1CCC2CC2C1 AT14845 [0,0,0,2,0,0|1,0,0]=3 78 B10R2.190 O=C1CCCC12CCC2 F52959 [0,0,0,2,0,0|1,0,0]=3 79 B10R2.190 O=C1NCCC12CNC2 P13117 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.2 O=C1CC2CCCC2C1 AT20192 [0,0,0,2,0,0|1,0,0]=3 81 B10R2.2 O=C1C[C@@H]2CCCN2C1 D74394 [0,0,0,2,0,0|2,0,0]=4 82 B10R2.2 O=C1C[C@@H]2CCC[C@@H]2C1 AT20194 [0,0,0,2,0,0|1,0,0]=3 83 B10R2.2 O=C1C[C@H]2CCO[C@H]2O1 D74252 [0,0,0,2,0,0|1,0,0]=3 84 B10R2.2 O=C1C[C@H]2CSC[C@@H]2C1 D96566 [0,0,0,2,0,0|2,0,0]=4