0 B5R0.3 C=C(CC)CN 4074283 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(O)CN 4055871 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CCC(C)NC 4039876 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CCC(C)NC 4089297 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.3 COC(C)CN 4089925 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.3 CO[C@@H](C)CO 4031352 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 CCCNN 4088315 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCOC(C)CN 4089019 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.1 NCCC(O)CO 4051484 [0,1,0,0,0,0|1,0,0]=2 9 B6R0.3 C[C@@H](O)C(=N)NO 4081862 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 C[C@H](O)C(=N)NO 4061691 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.9 CCC(CN)OC 4090078 [0,1,0,0,0,0|2,0,0]=3 12 B6R1.2 NC1CCSC1 4014976 [0,0,0,1,0,0|2,1,0]=4 13 B6R1.2 N[C@@H]1CCOC1 4107838 [0,0,0,1,0,0|2,0,0]=3 14 B6R1.2 OC1CCSC1 4030923 [0,0,0,1,0,0|1,1,0]=3 15 B6R1.2 OC1CNOC1 4088318 [0,0,0,1,0,0|1,0,0]=2 16 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|2,0,0]=3 17 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.6 NCC1CCC1 4090412 [0,0,0,1,0,0|3,0,0]=4 19 B5R0.5 CC(O)C(=N)N 4089130 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.5 C[C@@H](O)C(=N)N 4060246 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.5 C[C@H](O)C(=N)N 4057094 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.2 COCCNN 4050590 [1,1,0,0,0,0|2,0,0]=4 23 B5R0.2 COCCNN 4089703 [1,1,0,0,0,0|2,0,0]=4 24 B5R0.2 NNCCCO 4090002 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.2 CN(C)CC(O)CN 4088537 [0,2,0,0,0,0|2,0,0]=4 26 B7R0.11 COCC(C)(C)CN 4090889 [0,2,0,0,0,0|2,0,0]=4 27 B5R1.2 OC1CNC1 4088745 [1,0,0,1,0,0|1,0,0]=3 28 B5R1.4 C[C@@H]1C[C@H]1N 4110616 [1,0,0,1,0,0|2,0,0]=4 29 B5R1.1 C1CNOC1 4089053 [1,0,0,1,0,0|1,0,0]=3 30 B7R1.1 CNC1CCOC1 4003583 [0,1,0,1,0,0|2,0,0]=4 31 B7R1.1 COC1CCNC1 4089940 [0,1,0,1,0,0|2,0,0]=4 32 B7R1.1 CO[C@@H]1CCNC1 4098907 [0,1,0,1,0,0|2,0,0]=4 33 B7R1.1 CO[C@H]1CCNC1 4093842 [0,1,0,1,0,0|2,0,0]=4 34 B7R1.1 OC[C@@H]1CCNC1 4098010 [0,1,0,1,0,0|2,0,0]=4 35 B7R1.2 NC1CCC(O)C1 4094627 [0,1,0,1,0,0|2,0,0]=4 36 B7R1.2 N[C@@H]1CC[C@H](O)C1 4089591 [0,1,0,1,0,0|2,0,0]=4 37 B7R1.3 CC1COCCN1 4037925 [0,1,0,1,0,0|2,0,0]=4 38 B7R1.3 NC1CCOCC1 4003544 [0,1,0,1,0,0|2,0,0]=4 39 B7R1.3 NC1CCOCC1 4089666 [0,1,0,1,0,0|2,0,0]=4 40 B7R1.3 N[C@@H]1CCCOC1 4095390 [0,1,0,1,0,0|2,0,0]=4 41 B7R1.3 N[C@H]1CCCOC1 4105155 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,0,0]=3 43 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|1,0,0]=3 44 B7R1.25 CC1(CO)CNC1 4074448 [0,1,0,1,0,0|2,0,0]=4 45 B7R1.19 CC(N)C1(O)CC1 4035778 [0,1,0,1,0,0|2,0,0]=4