0 B5R0.3 C=C(CC)CN 4074283 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.3 C=CC(O)CN 4055871 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(C)NC 4039876 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CCC(C)NC 4089297 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CNC(=O)CN 4089909 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 COC(C)CN 4089925 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 CO[C@@H](C)C#N 4030194 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CO[C@@H](C)CO 4031352 [0,0,0,0,0,0|1,0,0]=1 8 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.1 CNCC(C)OC 4089097 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.1 NCCC(O)CO 4051484 [0,1,0,0,0,0|1,0,0]=2 12 B6R0.3 CNC(C)C(C)C 4089636 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.3 C[C@@H](CN)N(C)C 4051077 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 C[C@@H](O)C(=N)NO 4081862 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.3 C[C@H](CN)N(C)C 4073390 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.3 C[C@H](O)C(=N)NO 4061691 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.9 CCC(CN)OC 4090078 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 NC1C=CCC1 4068828 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|1,1,0]=3 22 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.2 OC1CCSC1 4030923 [0,0,0,1,0,0|1,1,0]=3 24 B6R1.2 OC1CNOC1 4088318 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|1,0,0]=2 26 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.6 NCC1CCC1 4090412 [0,0,0,1,0,0|1,0,0]=2 28 B5R0.5 CC(O)C(=N)N 4089130 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.5 C[C@@H](O)C(=N)N 4060246 [1,1,0,0,0,0|1,0,1]=4 30 B5R0.5 C[C@H](O)C(=N)N 4057094 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.2 COCCNN 4050590 [1,1,0,0,0,0|2,0,0]=4 32 B5R0.2 COCCNN 4089703 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.2 NNCCCO 4090002 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.2 CC[C@@H](N)CN(C)C 4066349 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.2 CC[C@H](N)CN(C)C 4069075 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.2 CN(C)CC(O)CN 4088537 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.2 CNC(C)CC(=O)O 4090195 [0,2,0,0,0,0|1,0,0]=3 38 B7R0.3 CCCOC(C)CN 4089733 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.3 CCN(C)CCNC 4027628 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.5 CNCC(C)C(=O)O 4088272 [0,2,0,0,0,0|0,0,1]=3 41 B7R0.7 CCCC(C)NCC 4090739 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.10 CNC(=O)C(C)CN 4089454 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,2,0,0,0,0|1,0,1]=4 44 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.11 COCC(C)(C)CN 4090889 [0,2,0,0,0,0|1,0,0]=3 46 B7R0.13 CC(C)(CN)C(=O)O 4089012 [0,2,0,0,0,0|1,0,1]=4 47 B7R0.14 CNC(C)C(C)(C)C 4089219 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.15 CC[C@@H](CN)N(C)C 4069612 [0,2,0,0,0,0|1,0,0]=3 49 B7R0.15 CC[C@H](CN)N(C)C 4070052 [0,2,0,0,0,0|1,0,0]=3 50 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,2,0,0,0,0|1,0,1]=4 51 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,2,0,0,0,0|1,0,1]=4 52 B5R1.2 OC1CNC1 4088745 [1,0,0,1,0,0|1,0,0]=3 53 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|1,0,0]=3 54 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|1,0,0]=3 55 B7R1.1 CCC1C=CCN1 4090190 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.1 CNC1CCOC1 4003583 [0,1,0,1,0,0|0,0,0]=2 57 B7R1.1 COC1CCNC1 4089940 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,1,0,1,0,0|1,0,0]=3 59 B7R1.1 CO[C@H]1CCNC1 4093842 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|0,0,0]=2 61 B7R1.2 CN1CC[C@@H](N)C1 4093148 [0,1,0,1,0,0|2,0,0]=4 62 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|1,0,0]=3 64 B7R1.3 CC1CNCCO1 4090031 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.3 CC1COCCN1 4037925 [0,1,0,1,0,0|0,0,0]=2 66 B7R1.3 C[C@@H]1CNCCO1 4037141 [0,1,0,1,0,0|1,0,0]=3 67 B7R1.3 NC1CC=CCC1 4110793 [0,1,0,1,0,0|2,0,0]=4 68 B7R1.3 NC1CCOCC1 4003544 [0,1,0,1,0,0|1,0,0]=3 69 B7R1.3 NC1CCOCC1 4089666 [0,1,0,1,0,0|1,0,0]=3 70 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.4 C[C@@H]1CNC[C@@H]1C 4034805 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.4 C[C@@H]1CNC[C@H]1C 4034801 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|1,0,0]=3 76 B7R1.6 CNCC1CCC1 4089393 [0,1,0,1,0,0|1,0,0]=3 77 B7R1.10 CCN1CC(O)C1 4089118 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.10 COC1CC(N)C1 4035443 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.10 CO[C@H]1C[C@@H](N)C1 4048109 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.10 CO[C@H]1C[C@@H](O)C1 4069248 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.21 CCCC1(N)CC1 4090398 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.25 CC1(CO)CNC1 4074448 [0,1,0,1,0,0|0,0,0]=2 83 B7R1.19 CC(N)C1(O)CC1 4035778 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.14 CC1(N)CCCC1 4088523 [0,1,0,1,0,0|1,0,0]=3