0 B7R0.7 CCCC(C)NCC 4024861 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 CCNC(C)CCO 4027124 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCOC(=O)CCO 4040900 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCOC(C)CNC 4030660 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCC(C)CCN 4015078 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.1 CCCC(N)CC 4028240 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CCCC(N)CC 4088911 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCNC(C)CC 4024881 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCNC(C)CC 4089770 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 CCNC(C)CO 4027506 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CCOC(C)CN 4029821 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CNC(C)CCO 4027121 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CNCC(C)OC 4031677 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 COC(C)CCN 4043534 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.3 CCN(C)C(C)CCN 4027132 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.4 CC1CN(C)CCN1 4050805 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 CCCC1CCNC1 4018767 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.8 CCNC1CCCC1 4024871 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.8 CCOC1CCNC1 4041020 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.8 CNCC1CCCC1 4043685 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 CNCC1CCCN1 4111536 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.8 CNCC1CCCO1 4018249 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.8 NCCC1CCCC1 4015075 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.8 NCCC1CCCC1 4087871 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.8 OCCC1CCCN1 4019404 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,1,0,0|3,0,0]=4 34 B5R0.1 CNCC(C)O 4035012 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CC(CN)CO 4036254 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.3 CC[C@@H](O)CN 4036900 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 CNC(C)CO 4028640 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.3 COC(C)C#N 4045776 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.3 COC(C)CN 4031070 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.3 COC(C)CO 4045600 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.2 CCC(C)CC(C)=O 4031282 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.2 CNC(C)CC(C)C 4027376 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.2 CNC(C)CC(C)C 4089905 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 CCCNC(C)CO 4027950 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.3 CCCOC(C)CN 4031060 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.3 CCN(C)CCCCl 4032711 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.3 CCN(C)CCCCl 4090852 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.3 CCN(C)CCCO 4027001 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.3 CCOCC(O)CN 4001724 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.5 CCOC(C)C(=O)O 4020873 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.10 CCN(C)C(C)CO 4027973 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.11 CCNC(C)(C)CO 4029235 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.11 CCNC(C)(C)CO 4087910 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.11 COC(C)(C)CCN 4021563 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.12 CCOC(CC)CN 4031082 [1,1,0,0,0,0|0,0,0]=2 56 B7R0.12 CCOC(CC)CN 4091080 [1,1,0,0,0,0|0,0,0]=2 57 B7R0.4 CC(C)OCCCO 4034289 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|2,0,0]=4 59 B7R1.1 CCC1CCNC1 4018760 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.1 COC1CCNC1 4029717 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.1 NCC1CCCC1 4018103 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.1 NCC1CCCC1 4110554 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 CC1CNCCO1 4019021 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.3 C[C@@H]1COCCN1 4037047 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 C[C@H]1CNCCO1 4038541 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.6 CNCC1CCC1 4031455 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.6 NCCC1CCC1 4036646 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.21 CCCC1(N)CC1 4021536 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.22 CCC(N)C1CC1 4044918 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.7 CCNCC1CC1 4034470 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.7 CCNCC1CC1 4110755 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.2 CN1CCOC(CN)C1 4029078 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.8 BrCCC1COCCO1 4071604 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.8 CCCC1COCCN1 4021666 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.8 CCNC1CCOCC1 4087925 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.8 CCOC1CCNCC1 4031332 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.8 CCOC1CCNCC1 4088135 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.8 CNCC1CCCCO1 4003543 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.8 CNCC1CCCCO1 4088030 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.8 CNCC1COCCO1 4101742 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.8 NCCC1CCCCO1 4002169 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.8 NCCC1CCCCO1 4085477 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.8 NCCC1CCCOC1 4036334 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.8 OCCC1CCCCO1 4016654 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.8 OCCC1CNCCO1 4020258 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.8 OCCC1COCCO1 4016658 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.12 CCCNC1CCCC1 4024874 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.12 CCOCC1CCCN1 4030295 [0,1,0,1,0,0|1,0,0]=3 90 B9R1.12 NCCCC1CCCC1 4012706 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.33 CCO[C@H]1COC[C@@H]1N 4029260 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.14 CCN1CCCC1CCl 4044131 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.14 CCN1CCCC1CO 4015477 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.14 CCN1CCC[C@H]1CO 4045588 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.89 OCC1CCCCCN1 5510936 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.175 CCCC1(CN)CCC1 4026729 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,1,0,0|2,0,0]=4 100 B9R2.68 [C@H]12CCC[C@H](C1)NC2 4101829 [0,0,0,2,0,0|2,0,0]=4 101 B9R2.7 N[C@@H]1C[C@H]2OCC[C@@H]12 4052897 [0,0,0,2,0,0|2,0,0]=4