0 B6R0.6 C=CCNCCC 4031693 [1,0,0,0,0,0|1,0,2]=4 1 B6R0.6 CCCSCCN 4033597 [1,0,0,0,0,0|1,0,0]=2 2 B6R0.6 CCCSCCN 4089004 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,1,0]=4 4 B6R0.6 CNCCCOC 4021520 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 FCCCCCBr 4041608 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 BrCC1CCCOC1 4046211 [0,0,0,1,0,0|2,1,0]=4 7 B8R1.2 CCC1CCCNC1 4018855 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 CCC1CCNCC1 4004580 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 CCC1CCNCC1 4110368 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 CCC1CNCCN1 4029768 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 CCC1CNCCO1 4018983 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.2 CCC1COCCN1 4021665 [0,0,0,1,0,0|2,1,0]=4 13 B8R1.2 CCC1COCCN1 4087890 [0,0,0,1,0,0|2,1,0]=4 14 B8R1.2 COC1CCCNC1 4002969 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 COC1CCCNC1 4087774 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 COC1CCCNC1 4088818 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 NCC1CCCCO1 4087791 [0,0,0,1,0,0|2,1,0]=4 18 B8R1.2 NCC1CCCOC1 4014028 [0,0,0,1,0,0|2,1,0]=4 19 B8R1.2 NCC1CCCOC1 4087864 [0,0,0,1,0,0|2,1,0]=4 20 B8R1.2 OCC1CCCOC1 4027028 [0,0,0,1,0,0|2,1,0]=4 21 B8R1.5 CC1CNCCN1C 4002085 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.5 CC1CNCCN1C 4089459 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.8 CCCC1CCNC1 4018767 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.8 CCNC1CCCC1 4024871 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.8 CNCC1CCCC1 4043685 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.8 CNCC1CCCN1 4111536 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.8 CNCC1CCCO1 4018249 [0,0,0,1,0,0|2,1,0]=4 32 B8R1.8 NCCC1CCCC1 4015075 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.8 NCCC1CCCC1 4087871 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.8 OCCC1CCCN1 4019404 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.22 OC1CCCNCC1 4030734 [0,0,0,1,0,0|3,0,0]=4 39 B5R0.2 CNCCSC 4036386 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.3 CCCNC(C)CO 4027950 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.3 CCCOC(C)CN 4031060 [1,1,0,0,0,0|1,1,0]=4 42 B7R0.4 CC(C)CNCCO 4029069 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.4 CCCSCC(=O)O 4028731 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.7 CCCC(C)NCC 4024861 [1,1,0,0,0,0|2,0,0]=4 46 B7R1.1 CCC1CCNC1 4018760 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.1 NCC1CCCC1 4018103 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.1 NCC1CCCC1 4110554 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 BrC1CCCOC1 4032123 [1,0,0,1,0,0|1,1,0]=4 50 B7R1.3 CC1CNCCO1 4019021 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 C[C@@H]1COCCN1 4037047 [1,0,0,1,0,0|1,1,0]=4 52 B7R1.3 C[C@H]1CNCCO1 4038541 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 NC1CCCOC1 4018204 [1,0,0,1,0,0|1,1,0]=4 54 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.6 CNCC1CCC1 4031455 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.6 NCCC1CCC1 4036646 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.7 CCCNC1CC1 4028302 [1,0,0,1,0,0|1,0,0]=3 58 B7R1.7 CCCNC1CC1 4110664 [1,0,0,1,0,0|1,0,0]=3 59 B7R1.7 CCNCC1CC1 4034470 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.7 CCNCC1CC1 4110755 [1,0,0,1,0,0|2,0,0]=4 61 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 4073239 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.7 CCCN1CCC(N)C1 4044403 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.8 BrCCC1CCCCN1 4027974 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.8 BrCCC1CCCCN1 4090143 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.8 CCCC1COCCN1 4021666 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.8 CNCC1CCCCC1 4028444 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.8 CNCC1CCCCO1 4003543 [0,1,0,1,0,0|1,1,0]=4 69 B9R1.8 CNCC1CCCCO1 4088030 [0,1,0,1,0,0|1,1,0]=4 70 B9R1.8 COCC1CCCCN1 4002970 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.8 COCC1CCCNC1 4002971 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.8 CSCC1CCCNC1 4043531 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.8 NCCC1CCCCC1 4005014 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.8 NCCC1CCCCC1 4089549 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.8 NCCC1CCCCO1 4002169 [0,1,0,1,0,0|1,1,0]=4 76 B9R1.8 NCCC1CCCCO1 4085477 [0,1,0,1,0,0|1,1,0]=4 77 B9R1.8 NCCC1CCCOC1 4036334 [0,1,0,1,0,0|1,1,0]=4 78 B9R1.8 OCCC1CCCCO1 4016654 [0,1,0,1,0,0|1,1,0]=4 79 B9R1.12 CCCNC1CCCC1 4024874 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.12 CCOCC1CCCN1 4030295 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.12 CNCCN1CCCC1 4004410 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.12 NCCCC1CCCC1 4012706 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.12 OCCCN1CCCC1 4012899 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.15 CCC1CNCCN1C 4016224 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.83 COCCNCC1CC1 4032820 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.89 CCC1CCCNCC1 4042576 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.89 CCN1CCCNCC1 4013095 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.89 CCN1CCCNCC1 4089876 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.118 CCC1(C)CCCNC1 4043267 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.118 CCC1(O)CCCNC1 4016061 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.6 CC(C)C1CCCNC1 4016074 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.6 CC(N)C1CCCCC1 4019758 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.6 CC(N)C1CCCCC1 4087887 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.13 CC(N)CN1CCCC1 4011425 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.148 CC1(O)CCCNCC1 4037757 [0,1,0,1,0,0|2,0,0]=4 98 B9R2.56 CCC12CNCC1C2 4036113 [0,0,0,2,0,0|2,0,0]=4 99 B9R2.56 CCC12CNCC1C2 4043342 [0,0,0,2,0,0|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 B9R2.174 C1CCC2(CC2)NC1 4026343 [0,0,0,2,0,0|2,0,0]=4