0 B5R0.3 C=C(CC)CN 4074283 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=CC(O)CN 4055871 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.3 CCC(C)NC 4039876 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CCC(C)NC 4089297 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 COC(C)CN 4089925 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 CO[C@@H](C)C#N 4030194 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CO[C@@H](C)CO 4031352 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 CNCC(C)OC 4089097 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.1 NCCC(O)CO 4051484 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.3 CNC(C)C(C)C 4089636 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.9 CCC(CN)OC 4090078 [0,1,0,0,0,0|1,0,1]=3 15 B6R1.2 NC1C=CCC1 4068828 [0,0,0,1,0,0|1,0,0]=2 16 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|2,0,1]=4 17 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 OC1CCSC1 4030923 [0,0,0,1,0,0|1,0,1]=3 19 B6R1.2 OC1CNOC1 4088318 [0,0,0,1,0,0|2,0,1]=4 20 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|1,0,1]=3 21 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|1,0,1]=3 22 B6R1.6 NCC1CCC1 4090412 [0,0,0,1,0,0|2,0,1]=4 23 B5R0.5 CC(O)C(=N)N 4089130 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.5 C[C@@H](O)C(=N)N 4060246 [1,1,0,0,0,0|1,0,0]=3 25 B5R0.5 C[C@H](O)C(=N)N 4057094 [1,1,0,0,0,0|1,0,0]=3 26 B5R0.2 COCCNN 4050590 [1,1,0,0,0,0|2,0,0]=4 27 B5R0.2 COCCNN 4089703 [1,1,0,0,0,0|2,0,0]=4 28 B5R0.2 NNCCCO 4090002 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.2 CN(C)CC(O)CN 4088537 [0,2,0,0,0,0|1,0,1]=4 30 B7R0.5 CNCC(C)C(=O)O 4088272 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.10 CCC(N)C(=O)NC 4090715 [0,2,0,0,0,0|1,0,1]=4 32 B5R1.2 OC1CNC1 4088745 [1,0,0,1,0,0|1,0,1]=4 33 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|1,0,1]=4 34 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.1 CCC1C=CCN1 4090190 [0,1,0,1,0,0|1,0,0]=3 36 B7R1.1 CCN1C=CC=N1 3020409 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.1 CNC1CCOC1 4003583 [0,1,0,1,0,0|1,0,1]=4 38 B7R1.1 COC1CCNC1 4089940 [0,1,0,1,0,0|1,0,1]=4 39 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,1,0,1,0,0|1,0,1]=4 40 B7R1.1 CO[C@H]1CCNC1 4093842 [0,1,0,1,0,0|1,0,1]=4 41 B7R1.1 NCC1=NOC=C1 2102253 [0,1,0,1,0,0|1,0,1]=4 42 B7R1.1 NCC1=NOC=C1 4088492 [0,1,0,1,0,0|1,0,1]=4 43 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|1,0,1]=4 44 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,1,0,0|0,0,2]=4 45 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|0,0,2]=4 46 B7R1.3 NC1C=CCCC1 4075151 [0,1,0,1,0,0|1,0,0]=3 47 B7R1.3 NC1CC=CCC1 4110793 [0,1,0,1,0,0|1,0,0]=3 48 B7R1.4 NC1CCNC1=O 4019954 [0,1,0,1,0,0|2,0,0]=4 49 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|2,0,0]=4 50 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|2,0,0]=4 51 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.19 CC(N)C1(O)CC1 4035778 [0,1,0,1,0,0|0,0,2]=4