0 B5R0.5 CC(O)C(=N)N 4089130 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 C[C@@H](O)C(=N)N 4060246 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 C[C@H](O)C(=N)N 4057094 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.5 O=C(O)C(=O)O 4034715 [0,0,0,0,0,0|1,0,1]=2 4 B4R0.1 N=C(N)CF 4088189 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.3 CN(C)C(=O)CN 4088697 [0,1,0,0,0,0|3,0,0]=4 6 B6R0.3 CNC(=O)C(C)N 4088228 [0,1,0,0,0,0|2,0,0]=3 7 B6R0.3 CNC(=O)[C@@H](C)N 4055906 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 CN[C@@H](C)C(N)=O 4077652 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CN[C@H](C)C(N)=O 4076581 [0,1,0,0,0,0|2,0,0]=3 10 B6R0.3 C[C@@H](O)C(=N)NO 4081862 [0,1,0,0,0,0|1,0,0]=2 11 B6R0.3 C[C@H](O)C(=N)NO 4061691 [0,1,0,0,0,0|1,0,0]=2 12 B6R0.7 CC(C)(C)C(=N)N 4089911 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.7 CC(O)C(C)(C)N 4021798 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.4 N[C@H]1CC[C@@H]1O 4071120 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.4 N[C@H]1CC[C@H]1O 4068939 [0,0,0,1,0,0|2,0,1]=4 16 B6R0.2 CC(=O)CC(C)N 4022442 [0,0,0,0,0,1|2,0,0]=3 17 B6R0.2 CC(=O)CC(C)N 4089784 [0,0,0,0,0,1|2,0,0]=3 18 B6R0.2 CC(C)CC(=N)N 4089840 [0,0,0,0,0,1|3,0,0]=4 19 B5R0.1 COCC(=N)N 4091089 [1,1,0,0,0,0|2,0,0]=4 20 B5R0.3 C=C(CC)CN 4074283 [1,1,0,0,0,0|2,0,0]=4 21 B5R0.3 C=CC(O)CN 4055871 [1,1,0,0,0,0|1,0,0]=3 22 B5R0.3 CNC(=O)CN 4089909 [1,1,0,0,0,0|2,0,0]=4 23 B5R0.3 COC(C)CN 4089925 [1,1,0,0,0,0|1,0,1]=4 24 B5R0.3 CO[C@@H](C)C#N 4030194 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.3 CO[C@@H](C)CO 4031352 [1,1,0,0,0,0|0,0,1]=3 26 B7R0.2 CNC(C)CC(=O)O 4090195 [0,1,0,0,0,1|1,0,0]=3 27 B7R0.16 C[C@@H](C(=O)O)N(C)C 4053971 [0,1,0,0,0,1|2,0,0]=4 28 B7R0.16 C[C@H](C(=O)O)N(C)C 4078952 [0,1,0,0,0,1|2,0,0]=4 29 B7R0.5 CNCC(C)C(=O)O 4088272 [0,2,0,0,0,0|1,0,0]=3 30 B7R0.10 CCC(N)C(=O)NC 4090715 [0,2,0,0,0,0|2,0,0]=4 31 B7R0.10 CNC(=O)C(C)CN 4089454 [0,2,0,0,0,0|2,0,0]=4 32 B7R0.10 CNC(=O)[C@@H](C)NC 4058453 [0,2,0,0,0,0|2,0,0]=4 33 B7R0.10 CNC(=O)[C@H](C)NC 4051973 [0,2,0,0,0,0|2,0,0]=4 34 B7R0.10 CN[C@@H](C)C(=O)OC 4063702 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.10 CN[C@H](C)C(=O)OC 4068255 [0,2,0,0,0,0|1,0,0]=3 36 B7R0.13 CC(C)(CN)C(=O)O 4089012 [0,2,0,0,0,0|1,0,0]=3 37 B7R0.14 CC(C)(C)C(=O)CN 4089213 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.14 CC(C)(O)C(=O)NN 3015527 [0,2,0,0,0,0|1,0,0]=3 39 B7R0.14 CNC(=O)C(C)(C)N 4090091 [0,2,0,0,0,0|2,0,0]=4 40 B5R1.2 OC1CNC1 4088745 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.4 NC1CCNC1=O 4019954 [0,1,0,1,0,0|2,0,0]=4 42 B7R1.4 N[C@@H]1CCNC1=O 4101224 [0,1,0,1,0,0|2,0,0]=4 43 B7R1.4 N[C@H]1CCNC1=O 4107612 [0,1,0,1,0,0|2,0,0]=4 44 B7R1.4 N[C@H]1COC[C@H]1O 4044721 [0,1,0,1,0,0|1,0,1]=4 45 B7R1.4 O[C@H]1CNC[C@@H]1O 4093726 [0,1,0,1,0,0|1,0,1]=4