0 B6R1.1 C1CCONC1 4089921 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 CC1CNCCO1 4090031 [0,1,0,0,0,0|2,0,0]=3 2 B7R1.3 CC1COCCN1 4037925 [0,1,0,0,0,0|2,0,0]=3 3 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.3 NC1C=CCCC1 4075151 [0,1,0,0,0,0|0,0,2]=3 5 B7R1.3 NC1CC=CCC1 4110793 [0,1,0,0,0,0|0,0,2]=3 6 B7R1.3 NC1CCOCC1 4003544 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 NC1CCOCC1 4089666 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.2 COCCNN 4050590 [0,0,1,0,0,0|3,0,0]=4 11 B5R0.2 COCCNN 4089703 [0,0,1,0,0,0|3,0,0]=4 12 B5R0.2 NNCCCO 4090002 [0,0,1,0,0,0|3,0,0]=4 13 B5R1.1 C1CNOC1 4089053 [0,0,0,0,1,0|2,0,0]=3 14 B7R1.24 C1=CCCNCC1 4110732 [0,0,0,0,0,1|0,0,2]=3 15 B7R1.24 C1CNCCOC1 4036691 [0,0,0,0,0,1|1,0,0]=2 16 B7R1.24 C1CNCCOC1 4088544 [0,0,0,0,0,1|1,0,0]=2 17 B4R0.2 CCCNN 4088315 [1,0,1,0,0,0|2,0,0]=4 18 B6R0.1 CCOC(C)CN 4089019 [0,1,1,0,0,0|2,0,0]=4 19 B6R0.1 CNCC(C)OC 4089097 [0,1,1,0,0,0|2,0,0]=4 20 B6R0.1 NCCC(O)CO 4051484 [0,1,1,0,0,0|2,0,0]=4 21 B6R0.4 CCCCC(=N)N 4090419 [0,1,1,0,0,0|1,0,1]=4 22 B6R0.6 C=CCNCCC 4088685 [0,1,1,0,0,0|0,0,2]=4 23 B6R0.6 CCOCCNC 4089681 [0,1,1,0,0,0|1,0,0]=3 24 B6R1.2 NC1C=CCC1 4068828 [0,1,0,0,1,0|0,0,2]=4 25 B6R1.2 NC1CCSC1 4014976 [0,1,0,0,1,0|1,0,0]=3 26 B6R1.2 N[C@@H]1CCOC1 4107838 [0,1,0,0,1,0|1,0,0]=3 27 B6R1.2 OC1CCSC1 4030923 [0,1,0,0,1,0|1,0,0]=3 28 B6R1.2 OC1CNOC1 4088318 [0,1,0,0,1,0|2,0,0]=4 29 B8R1.22 CC1CNCCCO1 4041125 [0,1,0,0,0,1|1,0,0]=3 30 B8R1.22 O=C1CCNCCN1 4090378 [0,1,0,0,0,1|1,0,1]=4 31 B8R1.22 OC1CCCNCC1 4088463 [0,1,0,0,0,1|0,0,0]=2 32 B8R1.22 OC1COCCOC1 4070066 [0,1,0,0,0,1|1,0,0]=3 33 B8R1.2 CCC1CNCCN1 4090833 [0,2,0,0,0,0|2,0,0]=4 34 B8R1.2 CC[C@@H]1COCCN1 4039428 [0,2,0,0,0,0|2,0,0]=4 35 B8R1.2 CC[C@H]1COCCN1 4039169 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.2 CNC1CCSCC1 4090591 [0,2,0,0,0,0|1,0,0]=3 37 B8R1.2 NCC1=CCCCC1 4089848 [0,2,0,0,0,0|0,0,2]=4 38 B8R1.2 NCC1CCCCO1 4003524 [0,2,0,0,0,0|1,0,0]=3 39 B8R1.2 NCC1CCCOC1 4088037 [0,2,0,0,0,0|1,0,0]=3 40 B8R1.2 NCC1COCCO1 4087967 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.2 OC[C@@H]1COCCN1 4037816 [0,2,0,0,0,0|2,0,0]=4 42 B8R1.2 OC[C@H]1COCCN1 4037199 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.3 CC1CCC(N)CC1 3002871 [0,2,0,0,0,0|0,0,0]=2 44 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,2,0,0,0,0|0,0,0]=2 45 B8R1.3 N[C@H]1CCC(=O)NC1 4097106 [0,2,0,0,0,0|1,0,1]=4 46 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,2,0,0,0,0|0,0,0]=2 47 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 4037492 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.4 O[C@@H]1CNC[C@H](O)C1 4038049 [0,2,0,0,0,0|1,0,0]=3 49 B8R1.4 O[C@H]1CNC[C@H](O)C1 4038058 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.5 CC1CNCCC1O 4097511 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.5 C[C@@H]1NCCN[C@H]1C 4036451 [0,2,0,0,0,0|2,0,0]=4 52 B8R1.5 NC1CCCNC1=O 4089547 [0,2,0,0,0,0|1,0,1]=4 53 B8R1.5 N[C@H]1CCOC[C@H]1O 4091235 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.5 O[C@H]1CCNC[C@@H]1O 4034771 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.72 CC1(C)CCNCC1 4090776 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.72 CC1(N)CCCCC1 4090363 [0,2,0,0,0,0|0,0,0]=2 57 B8R1.72 O=S1(=O)CCNCC1 4089409 [0,2,0,0,0,0|2,0,0]=4 58 B6R1.3 CCNC1CC1 4026907 [0,0,1,1,0,0|1,0,0]=3 59 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,1,1,0,0|2,0,0]=4 60 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,1,1,0,0|2,0,0]=4 61 B6R1.6 NCC1CCC1 4090412 [0,0,1,1,0,0|1,0,0]=3 62 B8R2.22 C1C[C@H]2CN[C@H]2C1 4042340 [0,0,0,1,0,1|0,0,0]=2 63 B8R2.2 C[C@]12CNC[C@H]1C2 4036068 [0,1,0,1,0,0|1,0,0]=3 64 B8R2.34 C12CCC(CC1)N2 4097327 [0,1,0,1,0,0|0,0,0]=2