0 B5R0.2 CNCCSC 4036386 [0,0,0,0,0,0|4,0,0]=4 1 B4R0.2 CCCNN 4085300 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.1 CCC(C)CCN 4015078 [0,1,0,0,0,0|3,0,0]=4 3 B6R0.1 CCCC(N)CC 4028240 [0,1,0,0,0,0|2,0,0]=3 4 B6R0.1 CCCC(N)CC 4088911 [0,1,0,0,0,0|2,0,0]=3 5 B6R0.1 CCNC(=O)CBr 4023688 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.1 CCNC(C)CC 4024881 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.1 CCNC(C)CC 4089770 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.1 CCNC(C)CO 4027506 [0,1,0,0,0,0|3,0,0]=4 9 B6R0.1 CCOC(C)CN 4029821 [0,1,0,0,0,0|2,1,0]=4 10 B6R0.4 CC(C)SCCN 4012669 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.4 CC(C)SCCN 4089980 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.6 C=CCNCCC 4031693 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.6 CCCSCCN 4033597 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.6 CCCSCCN 4089004 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.6 CCOCCNC 4030249 [0,1,0,0,0,0|1,1,0]=3 16 B6R0.6 CNCCCOC 4021520 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.6 FCCCCCBr 4041608 [0,1,0,0,0,0|3,0,0]=4 18 B6R1.1 C1CCONC1 4013260 [0,0,0,1,0,0|1,1,0]=3 19 B6R1.2 CC1CNOC1 4040895 [0,0,0,1,0,0|2,1,0]=4 20 B6R1.2 NC1CCOC1 4003522 [0,0,0,1,0,0|2,1,0]=4 21 B6R1.3 CCNC1CC1 4110570 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.3 CNCC1CC1 4033531 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.6 NCC1CCC1 4003518 [0,0,0,1,0,0|3,0,0]=4 24 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|2,0,0]=4 25 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|2,0,0]=4 26 B5R0.3 CC[C@@H](O)CN 4036900 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.3 CCC(=O)NCCN 4110359 [0,2,0,0,0,0|2,0,0]=4 28 B7R0.3 CCCNC(C)CO 4027950 [0,2,0,0,0,0|2,0,0]=4 29 B7R0.3 CCCOC(C)CN 4031060 [0,2,0,0,0,0|1,1,0]=4 30 B7R0.3 CCN(C)CCCCl 4032711 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.3 CCN(C)CCCCl 4090852 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.3 CCN(C)CCCO 4027001 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.3 CCOCC(O)CN 4001724 [0,2,0,0,0,0|1,1,0]=4 34 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.7 CCCC(C)NCC 4024861 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.7 CCNC(=O)CCCl 4027744 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.7 CCNC(C)CCO 4027124 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.7 CCOC(=O)CCO 4040900 [0,2,0,0,0,0|1,1,0]=4 39 B7R0.7 CCOC(C)CNC 4030660 [0,2,0,0,0,0|1,1,0]=4 40 B7R0.12 CCOC(CC)CN 4031082 [0,2,0,0,0,0|1,1,0]=4 41 B7R0.12 CCOC(CC)CN 4091080 [0,2,0,0,0,0|1,1,0]=4 42 B7R0.4 CC(C)CNCCO 4029069 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.4 CC(C)NCCCO 4088008 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.4 CC(C)NCCCO 5116284 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.4 CC(C)OCCCO 4034289 [0,2,0,0,0,0|1,1,0]=4 46 B7R0.4 CCCCNC(C)C 4024831 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.4 CCCSCC(=O)O 4028731 [0,2,0,0,0,0|1,0,1]=4 48 B7R0.4 CCSCCC(=O)O 4028457 [0,2,0,0,0,0|1,0,1]=4 49 B7R0.6 CC(C)CNC(C)C 4028720 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.6 CC(C)CNC(C)C 4090247 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.8 CC(C)(C)SCCN 4028606 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.8 CCNCC(C)(C)C 4017478 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.8 CCOCC(C)(C)N 4026868 [0,2,0,0,0,0|1,1,0]=4 54 B5R1.1 C1CNOC1 4013261 [1,0,0,1,0,0|1,1,0]=4 55 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,0]=3 56 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|2,0,0]=4 57 B5R1.2 OC1CSC1 4042896 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,1,0,0|1,1,0]=4 59 B7R1.1 CCC1CCNC1 4018760 [0,1,0,1,0,0|2,0,0]=4 60 B7R1.1 COC1CCNC1 4029717 [0,1,0,1,0,0|2,0,0]=4 61 B7R1.1 NCC1CCCC1 4018103 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.1 NCC1CCCC1 4110554 [0,1,0,1,0,0|2,0,0]=4 63 B7R1.1 NCC1CCOC1 4037969 [0,1,0,1,0,0|1,1,0]=4 64 B7R1.1 OCC1CCNC1 4003674 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,1,0,0|1,1,0]=4 66 B7R1.3 CC1CNCCO1 4019021 [0,1,0,1,0,0|1,1,0]=4 67 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,1,0,0|1,1,0]=4 68 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,1,0,0|1,1,0]=4 69 B7R1.3 NC1CCCOC1 4018204 [0,1,0,1,0,0|1,1,0]=4 70 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.6 CNCC1CCC1 4031455 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.6 NCCC1CCC1 4036646 [0,1,0,1,0,0|2,0,0]=4 73 B7R1.10 CCN1CC(O)C1 4042847 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.21 CCCC1(N)CC1 4021536 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.22 CCC(N)C1CC1 4044918 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.7 CCCNC1CC1 4028302 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.7 CCCNC1CC1 4110664 [0,1,0,1,0,0|2,0,0]=4 78 B7R1.7 CCNCC1CC1 4034470 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.7 CCNCC1CC1 4110755 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.14 CC1(C)CCCN1 4020218 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.14 CC1(C)CCNC1 4018853 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.14 CC1(N)CCCC1 4017355 [0,1,0,1,0,0|2,0,0]=4