0 B8R0.8 CCCNC(C)C(C)C 4024851 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.8 CCCNC(C)C(C)C 4088422 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.8 CCCOC(C)C(=O)O 4020872 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.11 CCCNC(CC)CC 4024896 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.11 CCCNC(CC)CC 4088634 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.15 CCCC(CN)N(C)C 4028602 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.15 CCCC(NC)C(=O)O 4044041 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 CC(=O)N1CCC(N)CC1 4030629 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.13 CC(=O)N1CCC(N)CC1 4089694 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.13 CC(=O)N1CCC(O)CC1 4032674 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.13 CN1CCC(C(=O)O)CC1 4400177 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.31 CCN1CCC(C(=O)O)C1 4016132 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.35 CCN1CC(CN)CC1=O 4002895 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.35 CCN1CC(CO)CC1=O 4034970 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 3003016 [0,0,0,1,0,0|2,0,0]=3 15 B10R1.61 CN(C)[C@H]1CCNC[C@@H]1O 4034775 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.61 CN(C)[C@H]1CNCC[C@@H]1O 4034774 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.61 CN(C)[C@H]1CNCC[C@H]1O 4091319 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.61 CN1CCCCC1C(=O)O 4400178 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.348 CC(=O)N1CCCNCC1 4028076 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.348 CC(=O)N1CCCNCC1 4089127 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.348 CN(C)C1CCCCNC1 4016778 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.348 CN(C)[C@H]1CCCCNC1 4045210 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.348 NC(=O)C1CCCCNC1 4044747 [0,0,0,1,0,0|2,0,0]=3 24 B10R1.477 CCC1(C(=O)O)CCCN1 4039709 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.477 CN(C)C1(CN)CCCC1 4027054 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.477 CNC1(C(=O)O)CCCC1 4039937 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.477 NCC1(C(=O)O)CCCC1 4020276 [0,0,0,1,0,0|2,0,0]=3 28 B7R0.3 CCCNC(C)CO 4027950 [2,0,0,0,0,0|1,0,0]=3 29 B7R0.3 CCCOC(C)CN 4031060 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CC(=O)NCCCO 4032317 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CCCCCC(=N)N 4012907 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.4 CCCCCC(=N)N 4088605 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.4 CCCOCC(=O)O 4020861 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 CCCSCC(=O)O 4028731 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.4 CCSCCC(=O)O 4028457 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CC(=O)N(C)CCO 4036108 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 CCNC(C)C(N)=O 4030069 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 CCNC(C)C(N)=O 4089759 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCOC(C)C(=O)O 4020873 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.5 CCSC(C)C(=O)O 4028492 [2,0,0,0,0,0|2,0,0]=4 41 B7R0.5 CNCC(C)C(=O)O 4043069 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.15 CCC(CO)N(C)C 4026790 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.42 CCN(C)CC(C)C(=O)O 4027257 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.42 CCN(C)CC(C)C(=O)O 4088844 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.5 CN1CCNCCC1=O 4036421 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [1,0,0,1,0,0|1,0,1]=4 47 B9R1.6 CC(=O)C1CCCNC1 4005879 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.6 CC(=O)C1CCCNC1 4087824 [1,0,0,1,0,0|1,0,0]=3 49 B9R1.6 CC(N)C1CCCCC1 4019758 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.6 CC(N)C1CCCCC1 4087887 [1,0,0,1,0,0|1,0,1]=4 51 B9R1.6 NC(=O)C1CNCCO1 4036482 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.6 O=C(O)C1CCCCO1 4014945 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.6 O=C(O)C1CCOCC1 4004296 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.23 CN1CC(CBr)CC1=O 4072621 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.23 CN1CC(CN)CC1=O 4003814 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.23 CN1CC(CO)CC1=O 4003813 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.35 CN1CCC(C(=O)O)C1 4003798 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.35 CN1CCC(C(=O)O)C1 4087795 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.163 CC1(C(=O)O)CCCC1 4043330 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.163 CC1(C(=O)O)CCCN1 4039700 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.163 CC1(C(=O)O)CCCO1 4018168 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.163 CC1(C(=O)O)CCNC1 4031237 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.163 C[C@]1(C(=O)O)CCCN1 4142037 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.163 O=C(O)C1(O)CCCC1 4030817 [1,0,0,1,0,0|1,0,0]=3 65 B9R1.1 CN1CCC(C=O)CC1 4017912 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.1 CN1CCC(CO)CC1 4002191 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.12 NCCCC1CCOC1 4018243 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.15 CN1CCCCC1CBr 4044778 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.15 CN1CCCCC1CCl 4033657 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.15 CN1CCCCC1CN 4088041 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.15 CN1CCCCC1CN 4100051 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.15 CN1CCNCC1CO 4036597 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.15 NN[C@@H]1CCCC[C@H]1O 4108163 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.21 CCN1CCC(CO)C1 4026419 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.89 CNC1CCCCCC1 4027537 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.89 OCC1CCCCCN1 5510936 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.204 CCC1(CO)CCCN1 4041386 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.204 NCC1(CO)CCCC1 4020262 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.119 NC(=O)C1(CO)CCC1 4028978 [1,0,0,1,0,0|1,0,0]=3 80 B11R1.86 CC(=O)CN1CCCCC1C 4028609 [0,0,0,1,0,1|2,0,0]=4 81 B11R1.742 CC(=O)CN1CCCCCC1 4027910 [0,0,0,1,0,1|2,0,0]=4 82 B11R1.742 CC(=O)CN1CCCCCC1 4090136 [0,0,0,1,0,1|2,0,0]=4 83 B11R1.167 CN1CC[C@@H](O)[C@H](C(=O)O)C1 4088567 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.167 CN1CC[C@H](O)[C@H](C(=O)O)C1 4009742 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.497 CC(=O)N1CCNCC(O)C1 4085337 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.17 CCCCN1CCNCC1=O 4011547 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1O 4110566 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.852 COC(=O)C1CNCCOC1 4038104 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.1472 CCC1(C(=O)OC)CCCN1 4044275 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.3 CC(=O)N1CCC(CN)CC1 4011924 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.3 CCN1CCC(C(=O)O)CC1 4002076 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.187 CCN1CC(CNC)CC1=O 4002899 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.298 CCC(C(=O)O)N1CCCC1 4027956 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.298 CCC(C(=O)O)N1CCCC1 4090641 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.1074 CCC1(C(=O)O)CCCCN1 4040194 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.1074 CCC1(C(=O)O)CCCNC1 4042649 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.1074 CCC1(C(=O)O)CCNCC1 4029136 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.1074 CCC1(C(N)=O)CCCNC1 4045463 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.1074 CCC1(C(N)=O)CCNCC1 4030410 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.1074 O=C(O)C1(CO)CCOCC1 4031023 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.737 NC(=O)C1(N)CCCCCC1 4043046 [0,1,0,1,0,0|2,0,0]=4 102 B11R2.48 O=C1N[C@H]2CC[C@@H]1CNC2 4045254 [0,0,0,2,0,0|2,0,0]=4 103 B11R2.222 CCC12CCC(CC1=O)C2 5100844 [0,0,0,2,0,0|1,0,0]=3 104 B11R2.845 CC(=O)C1CC2CCC1C2 3018453 [0,0,0,2,0,0|1,0,0]=3 105 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 4066258 [0,0,0,2,0,0|1,0,0]=3 106 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 4073739 [0,0,0,2,0,0|1,0,0]=3 107 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 4038019 [0,0,0,2,0,0|2,0,0]=4 108 B9R0.4 CCCCC(N)CC(=O)O 4012458 [1,0,0,0,0,1|2,0,0]=4