0 B9R0.2 CNCCOCCC(=O)O C70436 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.7 CC(=O)CCCN=[N+]=[N-] AC8739 [1,0,0,0,0,0|3,0,0]=4 2 B8R0.7 CC(=O)NCCCON D77273 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.74 C#CCCCCCC(=O)OC AT21753 [0,1,0,0,0,0|1,0,2]=4 4 B10R0.74 COC(=O)COCCCCO AT19930 [0,1,0,0,0,0|3,0,0]=4 5 B10R0.75 CSCCCC[C@H](N)C(=O)O 70962 [0,1,0,0,0,0|3,0,0]=4 6 B10R0.75 NCCCCC[C@H](N)C(=O)O AT25880 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [0,0,0,1,0,0|1,0,0]=2 8 B10R1.18 CC(=O)N[C@H]1CCCNC1 D76222 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.18 O=C(O)C[C@H]1CCCCN1 C16162 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O AT24543 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.61 C[C@H]1CCNC[C@@H]1C(=O)O AT24544 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98555 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98556 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.348 O=C(O)[C@H]1CCCCNC1 F16355 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [0,0,0,1,0,0|3,0,0]=4 17 B7R0.4 CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|1,0,0]=3 18 B7R0.4 C[S@](=O)CCCCN AT23964 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 NCCCCC(N)=O D77059 [2,0,0,0,0,0|2,0,0]=4 20 B9R0.45 CC\C=C\CCCCC=O P17001 [1,1,0,0,0,0|1,0,1]=4 21 B9R0.4 CCCC[C@H](C)CC(=O)O AC9392 [1,1,0,0,0,0|1,0,0]=3 22 B9R0.38 CS(=O)(=O)OCCCCCl D96361 [1,1,0,0,0,0|2,0,0]=4 23 B11R0.40 C#CCCCCCCC(=O)OC AT21756 [0,2,0,0,0,0|1,0,1]=4 24 B11R0.148 CC(C)OCCCOCCCO D75524 [0,2,0,0,0,0|1,0,1]=4 25 B11R0.159 NCCCCCCOP(=O)(O)O D74915 [0,2,0,0,0,0|2,0,0]=4 26 B9R1.8 ClCCC1CCOCC1 W16120 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.12 O=C\C=C\C1CCCC1 59600 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [1,0,0,1,0,0|2,0,0]=4 35 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.6 CC(=O)N1CCCNC1 AC8336 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [1,0,0,1,0,0|0,0,2]=4 39 B9R1.6 N[S@@](=O)C1CCCCC1 D96431 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [1,0,0,1,0,0|1,0,0]=3 41 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.41 CC1CCNC1C(=O)O E72830 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.41 CC1CNCC1C(=O)O AT17201 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.41 C[C@@H]1CNC[C@@H]1C(=O)O AT17206 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O F13022 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20921 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13968 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.41 O=C(O)C1CCCC1O AT25921 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20135 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.84 O=C(O)CCC1CNC1 AT26044 [1,0,0,1,0,0|2,0,0]=4 60 B9R1.84 O=C(O)CCC1COC1 52191 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.96 CCN1CC[C@H]1C(=O)O E73037 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.96 O=C(O)C1CCC1CO D75979 [1,0,0,1,0,0|2,0,0]=4 63 B11R1.166 C[C@@H]1C[C@H](N)CC[C@@H]1C(=O)O D96623 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.24 CNCCN1CCNC(=O)C1 AT12836 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1N AC8198 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.86 N[C@H]1CCCC[C@H]1CC(=O)O AT25974 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.91 O=C(O)CC[C@H]1CCCCN1 AT26066 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95579 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95580 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O E73099 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.271 CC(=O)OC[C@H]1CC[C@@H]1C=O D76589 [0,1,0,1,0,0|0,0,1]=3 72 B11R1.23 CCC(=O)[C@H]1CCCC(=O)C1 F53409 [0,1,0,1,0,0|1,0,1]=4 73 B11R1.25 COC(=O)CC[C@H]1CCNC1 AC9534 [0,1,0,1,0,0|2,0,0]=4 74 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N AC4604 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C F14148 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.852 COC(=O)[C@H]1CCCCNC1 81273 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.35 O=C(O)[C@@H](O)CC1CCCC1 69646 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.35 O=C(O)[C@@H](O)CC1CCCC1 AT24788 [0,1,0,1,0,0|2,0,0]=4 79 B11R2.35 O=C1CCO[C@H](C2CC2)C1 92418 [0,0,0,2,0,0|2,0,0]=4 80 B11R2.36 O=C1CCC2CNCC2C1 D72834 [0,0,0,2,0,0|2,0,0]=4 81 B11R2.36 O=C1CN2CCC[C@H]2CN1 62946 [0,0,0,2,0,0|2,0,0]=4 82 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 E71066 [0,0,0,2,0,0|2,0,0]=4 83 B11R2.106 O=C1NCC[C@@H]2CNC[C@H]12 W14425 [0,0,0,2,0,0|2,0,0]=4 84 B11R2.1478 O=C1CCCC2(COC2)C1 AT10528 [0,0,0,2,0,0|2,0,0]=4 85 B11R2.1 O=C1CC[C@@H]2CCNC[C@H]12 D79501 [0,0,0,2,0,0|2,0,0]=4 86 B11R2.1 O=C1NCC2CCCCC12 D76636 [0,0,0,2,0,0|1,0,0]=3 87 B11R2.1 O=C1NC[C@@H]2CCNC[C@H]12 P11594 [0,0,0,2,0,0|2,0,0]=4 88 B11R2.1 O=C1OC[C@H]2CNCCN12 W10096 [0,0,0,2,0,0|2,0,0]=4 89 B11R2.10 O=C1CC2NCCCC2O1 D72752 [0,0,0,2,0,0|1,0,0]=3 90 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 C77423 [0,0,0,2,0,0|2,0,0]=4 91 B11R2.352 O=C1CC[C@@H](C2CCC2)N1 AT19195 [0,0,0,2,0,0|2,0,0]=4 92 B11R2.748 O=C1CCC2(CCCC2)N1 91435 [0,0,0,2,0,0|2,0,0]=4 93 B11R2.748 O=C1CC[C@]2(CCOC2)C1 AT10544 [0,0,0,2,0,0|2,0,0]=4 94 B11R2.748 O=C1NC2(CCCC2)CO1 F53260 [0,0,0,2,0,0|1,0,0]=3 95 B11R2.433 O=C1CC2CCN(CC2)C1 P11141 [0,0,0,2,0,0|2,0,0]=4 96 B11R2.934 O=C(O)CC1CC2CC2C1 AT24729 [0,0,0,2,0,0|2,0,0]=4 97 B11R2.202 O=C1C[C@H](O)[C@@H]2CCCN12 69974 [0,0,0,2,0,0|2,0,0]=4 98 B11R2.202 O=C1C[C@H](O)[C@@H]2CCCN12 69976 [0,0,0,2,0,0|2,0,0]=4 99 B11R2.813 O=C(O)C12CCCCC1C2 E72907 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.457 CC1CC1C2CC2C(=O)O E73146 [0,0,0,2,0,0|2,0,0]=4 101 B11R2.839 O=C(O)C1CCC2CC2C1 AT14828 [0,0,0,2,0,0|2,0,0]=4 102 B11R2.826 O=C(O)C[C@H]1C[C@@H]1C2CC2 E73255 [0,0,0,2,0,0|2,0,0]=4