0 B5R1.1 C1CNOC1 4089053 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.2 NC1C=CCC1 4068828 [0,1,0,0,0,0|1,0,1]=3 2 B6R1.2 NC1CCSC1 4014976 [0,1,0,0,0,0|1,0,0]=2 3 B6R1.2 N[C@@H]1CCOC1 4107838 [0,1,0,0,0,0|1,0,0]=2 4 B6R1.2 OC1CCSC1 4030923 [0,1,0,0,0,0|1,0,0]=2 5 B6R1.2 OC1CNOC1 4088318 [0,1,0,0,0,0|1,0,0]=2 6 B4R0.2 CCCNN 4088315 [0,0,1,0,0,0|1,0,0]=2 7 B6R1.1 C1CCONC1 4089921 [0,0,0,0,0,1|0,0,0]=1 8 B5R0.1 COCC(=N)N 4091089 [0,1,1,0,0,0|1,0,1]=4 9 B5R0.2 COCCNN 4050590 [0,1,1,0,0,0|1,0,0]=3 10 B5R0.2 COCCNN 4089703 [0,1,1,0,0,0|1,0,0]=3 11 B5R0.2 NNCCCO 4090002 [0,1,1,0,0,0|1,0,0]=3 12 B5R0.3 C=C(CC)CN 4074283 [0,1,1,0,0,0|0,0,1]=3 13 B5R0.3 C=CC(O)CN 4055871 [0,1,1,0,0,0|0,0,2]=4 14 B5R0.3 CCC(C)NC 4039876 [0,1,1,0,0,0|0,0,0]=2 15 B5R0.3 CCC(C)NC 4089297 [0,1,1,0,0,0|0,0,0]=2 16 B5R0.3 CNC(=O)CN 4089909 [0,1,1,0,0,0|1,0,1]=4 17 B5R0.3 COC(C)CN 4089925 [0,1,1,0,0,0|1,0,0]=3 18 B5R0.3 CO[C@@H](C)CO 4031352 [0,1,1,0,0,0|2,0,0]=4 19 B5R1.2 OC1CNC1 4088745 [0,1,0,0,1,0|0,0,0]=2 20 B7R1.3 CC1CNCCO1 4090031 [0,1,0,0,0,1|0,0,0]=2 21 B7R1.3 CC1COCCN1 4037925 [0,1,0,0,0,1|0,0,0]=2 22 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,1,0,0,0,1|0,0,0]=2 23 B7R1.3 NC1C=CCCC1 4075151 [0,1,0,0,0,1|1,0,0]=3 24 B7R1.3 NC1CC=CCC1 4110793 [0,1,0,0,0,1|1,0,0]=3 25 B7R1.3 NC1CCOCC1 4003544 [0,1,0,0,0,1|1,0,0]=3 26 B7R1.3 NC1CCOCC1 4089666 [0,1,0,0,0,1|1,0,0]=3 27 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,0,0,1|1,0,0]=3 28 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,0,0,1|1,0,0]=3 29 B7R1.1 CCC1C=CCN1 4090190 [0,2,0,0,0,0|0,0,2]=4 30 B7R1.1 CNC1CCOC1 4003583 [0,2,0,0,0,0|1,0,0]=3 31 B7R1.1 COC1CCNC1 4089940 [0,2,0,0,0,0|0,0,0]=2 32 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,2,0,0,0,0|0,0,0]=2 33 B7R1.1 CO[C@H]1CCNC1 4093842 [0,2,0,0,0,0|0,0,0]=2 34 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,2,0,0,0,0|0,0,0]=2 35 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,2,0,0,0,0|0,0,0]=2 36 B7R1.2 NC1CCC(O)C1 4094627 [0,2,0,0,0,0|1,0,0]=3 37 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,2,0,0,0,0|1,0,0]=3 38 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,2,0,0,0,0|0,0,0]=2 39 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,2,0,0,0,0|0,0,0]=2 40 B7R1.4 NC1CCNC1=O 4019954 [0,2,0,0,0,0|0,0,1]=3 41 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,2,0,0,0,0|0,0,1]=3 42 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,2,0,0,0,0|0,0,1]=3 43 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,2,0,0,0,0|1,0,0]=3 44 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,2,0,0,0,0|0,0,0]=2 45 B7R1.14 CC1(N)CCCC1 4088523 [0,2,0,0,0,0|1,0,0]=3 46 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [0,0,1,1,0,0|0,0,0]=2 47 B7R1.24 C1=CCCNCC1 4110732 [0,0,0,0,0,2|0,0,0]=2 48 B7R1.24 C1CNCCOC1 4036691 [0,0,0,0,0,2|0,0,0]=2 49 B7R1.24 C1CNCCOC1 4088544 [0,0,0,0,0,2|0,0,0]=2