0 B6R0.6 C=CCNCCC 4088685 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCOCCNC 4089681 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 COCCNN 4050590 [1,0,0,0,0,0|2,1,0]=4 3 B5R0.2 COCCNN 4089703 [1,0,0,0,0,0|2,1,0]=4 4 B5R0.2 NNCCCO 4090002 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 CCCOC(C)CN 4089733 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.3 CCN(C)CCNC 4027628 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.3 CNC(=O)CCCN 4089383 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.3 COCC\C(N)=N/O 4090102 [0,1,0,0,0,0|1,1,1]=4 9 B7R0.4 CC(C)CNCCO 4090750 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.4 CC(C)NCCCN 3020450 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.7 CCCC(C)NCC 4090739 [0,1,0,0,0,0|3,0,0]=4 12 B7R1.1 CNC1CCOC1 4003583 [0,0,0,1,0,0|2,1,0]=4 13 B7R1.1 COC1CCNC1 4089940 [0,0,0,1,0,0|2,1,0]=4 14 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,0,0,1,0,0|2,1,0]=4 15 B7R1.1 CO[C@H]1CCNC1 4093842 [0,0,0,1,0,0|2,1,0]=4 16 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.3 CC1CNCCO1 4090031 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.3 CC1COCCN1 4037925 [0,0,0,1,0,0|2,1,0]=4 19 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.3 NC1C=CCCC1 4075151 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.3 NC1CC=CCC1 4110793 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.3 NC1CCOCC1 4003544 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.3 NC1CCOCC1 4089666 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,0,0,1,0,0|1,1,0]=3 25 B7R1.3 N[C@H]1CCCOC1 4105155 [0,0,0,1,0,0|1,1,0]=3 26 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.6 CNCC1CCC1 4089393 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.24 C1CNCCOC1 4036691 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.24 C1CNCCOC1 4088544 [0,0,0,1,0,0|2,0,0]=3 33 B4R0.2 CCCNN 4088315 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.1 CCOC(C)CN 4089019 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.1 CNCC(C)OC 4089097 [1,1,0,0,0,0|1,1,0]=4 36 B6R0.1 NCCC(O)CO 4051484 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.4 CCCCC(=N)N 4090419 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.4 CNCCC(=O)O 4088781 [1,1,0,0,0,0|1,0,1]=4 39 B6R1.1 C1CCONC1 4089921 [1,0,0,1,0,0|1,0,0]=3 40 B6R1.2 NC1CCSC1 4014976 [1,0,0,1,0,0|1,0,0]=3 41 B6R1.2 N[C@@H]1CCOC1 4107838 [1,0,0,1,0,0|1,1,0]=4 42 B6R1.2 OC1CCSC1 4030923 [1,0,0,1,0,0|0,0,0]=2 43 B6R1.2 OC1CNOC1 4088318 [1,0,0,1,0,0|1,1,0]=4 44 B6R1.3 CCNC1CC1 4026907 [1,0,0,1,0,0|2,0,0]=4 45 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [1,0,0,1,0,0|1,0,0]=3 46 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [1,0,0,1,0,0|1,0,0]=3 47 B6R1.6 NCC1CCC1 4090412 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.2 CCC1CNCCN1 4090833 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.2 CC[C@@H]1COCCN1 4039428 [0,1,0,1,0,0|1,1,0]=4 50 B8R1.2 CC[C@H]1COCCN1 4039169 [0,1,0,1,0,0|1,1,0]=4 51 B8R1.2 CNC1CCSCC1 4090591 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.2 NCC1=CCCCC1 4089848 [0,1,0,1,0,0|2,0,0]=4 53 B8R1.2 NCC1CCCCO1 4003524 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.2 NCC1CCCOC1 4088037 [0,1,0,1,0,0|1,1,0]=4 55 B8R1.2 NCC1COCCO1 4087967 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.2 OC[C@@H]1COCCN1 4037816 [0,1,0,1,0,0|0,1,0]=3 57 B8R1.2 OC[C@H]1COCCN1 4037199 [0,1,0,1,0,0|0,1,0]=3 58 B8R1.5 CC1CNCCC1O 4097511 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.5 N[C@H]1CCOC[C@H]1O 4091235 [0,1,0,1,0,0|0,1,0]=3 60 B8R1.5 O[C@H]1CCNC[C@@H]1O 4034771 [0,1,0,1,0,0|1,0,0]=3 61 B8R1.8 CCNC1CCCC1 4088683 [0,1,0,1,0,0|2,0,0]=4 62 B8R1.8 CCOC1CCNC1 4089420 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.8 CNCC1CCCC1 4089391 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.8 OCCC1CCCO1 4016666 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.11 CC[C@H]1CCC[C@H]1N 4015651 [0,1,0,1,0,0|2,0,0]=4 66 B8R1.11 CN1CCCC1CCl 4090126 [0,1,0,1,0,0|2,0,0]=4 67 B8R1.11 CN1CCCC1CN 4090027 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.11 CN1CCC[C@@H]1CN 4055531 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.11 CN1CCC[C@H]1CN 4076302 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.11 CN[C@H]1COC[C@@H]1O 4090162 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.11 CO[C@@H]1CNC[C@H]1O 4088324 [0,1,0,1,0,0|0,1,0]=3 72 B8R1.11 OCC1CNCC1O 4085295 [0,1,0,1,0,0|1,0,0]=3 73 B8R1.11 OC[C@H]1CNC[C@H]1O 4037276 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.22 CC1CNCCCO1 4041125 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.22 OC1CCCNCC1 4088463 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.22 OC1COCCOC1 4070066 [0,1,0,1,0,0|0,1,0]=3 77 B8R1.1 CN1CCC(CBr)C1 4090341 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.3 CC1CCC(N)CC1 3002871 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.3 C[C@H]1CC[C@@H](N)CC1 4095854 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.50 N[C@@H]1CC[C@H](O)[C@H]1O 4051849 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.50 N[C@H]1CC[C@@H](O)[C@@H]1O 4047633 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.50 N[C@H]1CC[C@H](O)[C@@H]1O 4046069 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.52 CC1(CN)CCCC1 4042897 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.52 CC1(CN)CCCO1 4018199 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4108327 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 4037492 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.4 O[C@@H]1CNC[C@H](O)C1 4038049 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.4 O[C@H]1CNC[C@H](O)C1 4038058 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.7 CC(N)C1CCCC1 4090794 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.27 CNCC1CC1(C)C 4032115 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.72 CC1(N)CCCCC1 4090363 [0,1,0,1,0,0|2,0,0]=4 92 B8R2.22 C1C[C@H]2CN[C@H]2C1 4042340 [0,0,0,2,0,0|2,0,0]=4 93 B8R2.34 C12CCC(CC1)N2 4097327 [0,0,0,2,0,0|2,0,0]=4 94 B8R2.2 C[C@]12CNC[C@H]1C2 4036068 [0,0,0,2,0,0|2,0,0]=4