0 B6R0.6 CCOCCNC 4089681 [1,0,0,0,0,0|2,0,1]=4 1 B8R1.2 NCC1=CCCCC1 4089848 [0,0,0,1,0,0|2,0,0]=3 2 B8R1.2 NCC1CCCCO1 4003524 [0,0,0,1,0,0|1,0,2]=4 3 B8R1.2 NCC1CCCOC1 4088037 [0,0,0,1,0,0|2,0,1]=4 4 B8R1.2 OC[C@@H]1COCCN1 4037816 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.2 OC[C@H]1COCCN1 4037199 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.5 CC1CNCCC1O 4097511 [0,0,0,1,0,0|1,0,1]=3 7 B8R1.5 O[C@H]1CCNC[C@@H]1O 4034771 [0,0,0,1,0,0|2,0,1]=4 8 B8R1.8 CCNC1CCCC1 4088683 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.8 OCCC1=CC=CO1 4039978 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.8 OCCC1CCCO1 4016666 [0,0,0,1,0,0|1,0,1]=3 11 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.11 OCC1CNCC1O 4085295 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.11 OC[C@H]1CNC[C@H]1O 4037276 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.22 CC1CNCCCO1 4041125 [0,0,0,1,0,0|1,0,1]=3 15 B8R1.22 OC1CCCNCC1 4088463 [0,0,0,1,0,0|1,0,1]=3 16 B5R0.2 NNCCCO 4090002 [2,0,0,0,0,0|2,0,0]=4 17 B7R0.3 CCC(=O)NCCN 4028425 [1,1,0,0,0,0|2,0,0]=4 18 B7R0.3 CNC(=O)CCCN 4089383 [1,1,0,0,0,0|2,0,0]=4 19 B7R0.4 CC(C)CNCCO 4090750 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.4 CC(C)NCCCN 3020450 [1,1,0,0,0,0|2,0,0]=4 21 B7R0.7 CCCC(C)NCC 4090739 [1,1,0,0,0,0|1,0,1]=4 22 B7R1.1 CCC1C=CCN1 4090190 [1,0,0,1,0,0|1,0,0]=3 23 B7R1.1 OC[C@@H]1CCNC1 4098010 [1,0,0,1,0,0|1,0,0]=3 24 B7R1.3 CC1CNCCO1 4090031 [1,0,0,1,0,0|1,0,1]=4 25 B7R1.3 C[C@@H]1CNCCO1 4037141 [1,0,0,1,0,0|1,0,1]=4 26 B7R1.3 NC1C=CCCC1 4075151 [1,0,0,1,0,0|1,0,0]=3 27 B7R1.3 NC1CC=CCC1 4110793 [1,0,0,1,0,0|1,0,0]=3 28 B7R1.3 NC1CCOCC1 4003544 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.3 NC1CCOCC1 4089666 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.24 C1=CCCNCC1 4110732 [1,0,0,1,0,0|1,0,0]=3 33 B7R1.24 C1CNCCOC1 4036691 [1,0,0,1,0,0|1,0,0]=3 34 B7R1.24 C1CNCCOC1 4088544 [1,0,0,1,0,0|1,0,0]=3 35 B9R1.2 CC[C@@H]1C[C@@H](O)CCN1 4078695 [0,1,0,1,0,0|1,0,1]=4 36 B9R1.2 C[C@@H]1CNC[C@@H](CO)O1 4042486 [0,1,0,1,0,0|1,0,1]=4 37 B9R1.2 C[C@H]1CNC[C@@H](CO)O1 4042449 [0,1,0,1,0,0|1,0,1]=4 38 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 4091236 [0,1,0,1,0,0|0,0,2]=4 39 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4091300 [0,1,0,1,0,0|0,0,2]=4 40 B9R1.2 N[C@H]1CCC[C@@H](CO)C1 4108241 [0,1,0,1,0,0|0,0,2]=4 41 B9R1.7 NCCC1CCC(=O)N1 4110733 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.7 O=C1CC[C@@H](CCO)N1 4046046 [0,1,0,1,0,0|1,0,0]=3 43 B9R1.7 O=C1CC[C@H](CCO)N1 4054374 [0,1,0,1,0,0|1,0,0]=3 44 B9R1.8 COCC1CCCNC1 4091076 [0,1,0,1,0,0|1,0,1]=4 45 B9R1.8 COCC1CCNCC1 4090236 [0,1,0,1,0,0|1,0,1]=4 46 B9R1.15 CNC1CCCCC1O 4105003 [0,1,0,1,0,0|0,0,2]=4 47 B9R1.15 CN[C@@H]1CCCC[C@@H]1O 4050792 [0,1,0,1,0,0|0,0,2]=4 48 B9R1.49 NC1CCNC(=O)CC1 4020296 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.5 N[C@@H]1CCCCC[C@@H]1O 4046958 [0,1,0,1,0,0|0,0,2]=4 50 B9R1.5 O[C@H]1CCNCC[C@@H]1O 4110736 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.5 O[C@H]1CCNCC[C@H]1O 4110734 [0,1,0,1,0,0|1,0,1]=4 52 B9R1.14 OC[C@@H]1CNC[C@@H]1CO 4049417 [0,1,0,1,0,0|1,0,1]=4 53 B9R1.118 CC1(CO)CCNCC1 4089699 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.118 OCC1(O)CCCNC1 4089505 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.6 CC(O)C1CCNCC1 4087900 [0,1,0,1,0,0|1,0,1]=4 56 B9R2.7 O[C@@H]1C[C@H]2CNC[C@@H]12 4091316 [0,0,0,2,0,0|1,0,1]=4 57 B9R2.7 O[C@H]1C[C@H]2NCC[C@@H]12 4091256 [0,0,0,2,0,0|1,0,1]=4