0 B7R0.2 CC(C)C[C@H](N)CO L2031 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 COC(=O)\C=C(\C)N A18843 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.7 COCC(=O)COC D12730 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.7 [C-]#[N+]CC(=O)OCC E14341 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.6 CCOC(=O)[C@@H](N)C(C)C V8260 [0,1,0,0,0,0|0,0,0]=1 6 B9R0.23 CC(C)CC(=O)C(=O)O[Na] K12664 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.34 CCOC(=O)C[C@@H](O)CBr B7205 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.34 CCOC(=O)C[C@@H](O)CCl E6788 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.34 CCOC(=O)C[C@H](O)CBr B7204 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.34 CCOC(=O)C[C@H](O)CCl C6789 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.34 CCOC(=O)C\C(N)=N\O H13133 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.44 CC(C)(C)OC(=O)CCCl B13440 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.44 CCOC(=O)CS(=O)(=O)Cl C4521 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.44 CCOC(=O)CS(=O)(=O)Cl C4521 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.44 CCOC(=O)CS(C)(=O)=O E7724 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.53 C\C(N)=C\C(=O)OC(C)C I1588 [0,1,0,0,0,0|1,0,2]=4 17 B9R1.137 CC(C)OC(=O)C1CC1 I2243 [0,0,0,1,0,0|2,0,0]=3 18 B7R0.5 CCOC(=O)C(F)Br E1920 [0,0,0,0,1,0|2,0,0]=3 19 B7R0.5 CCOC(=O)C(F)F E5215 [0,0,0,0,1,0|2,0,0]=3 20 B9R0.48 CCOC(=O)\C=C\N(C)C E12533 [0,0,0,0,0,1|1,0,1]=3 21 B6R0.1 C=CC(=O)CCC H17062 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.1 CCOC(=O)CN A14488 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.1 CNCC(=O)OC M5408 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.1 [C-]#[N+]CC(=O)OC M14376 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.2 C(C(=O)O)N(C)C D18801 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.2 CC(C)=CC(=O)O D18784 [2,0,0,0,0,0|0,0,2]=4 27 B6R0.2 CC(C)CC(=N)N M13844 [2,0,0,0,0,0|2,0,0]=4 28 B8R0.2 COC(=O)[C@@H](N)C(C)C V7757 [1,1,0,0,0,0|0,0,0]=2 29 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O T7815 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.24 CC(C)(C)OC(=O)CN G2443 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.1 CCOC(=O)\C=C\CBr E1566 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.3 CCOC(=O)C(C)CN A14614 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.3 CCOC(=O)C(N)C#N E14057 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.3 CCOC(=O)[C@@H](N)CS C8432 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.14 CCOC(=O)C(F)(F)Br E3484 [0,1,0,0,1,0|2,0,0]=4 36 B10R0.26 CCOC(=O)CC(N)C(C)C A14611 [0,1,0,0,0,1|0,0,0]=2 37 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C L5533 [0,1,0,0,0,1|0,0,0]=2 38 B10R0.2 CCOC(=O)C[C@H](O)CC#N E2621 [0,2,0,0,0,0|1,0,0]=3 39 B8R1.1 CCC1=NC(C)CN1 E1868 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.36 CCCNCC1CC1 P2232 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 CC1CNCCC1=O M11274 [0,0,0,1,1,0|2,0,0]=4 42 B8R1.5 CC1CNCCC1=O M19160 [0,0,0,1,1,0|2,0,0]=4 43 B8R1.5 CC1NCCNC1=O M17109 [0,0,0,1,1,0|2,0,0]=4 44 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,0,0,1,1,0|2,0,0]=4 45 B10R1.138 CCCC(=O)OC[C@H]1CO1 G3666 [0,0,0,1,0,1|2,0,0]=4 46 B10R1.329 CC1(C)CC(=O)CC(=O)C1 D5350 [0,1,0,1,0,0|1,0,1]=4 47 B10R2.71 O=C1CC2CCC(C1)N2 N14390 [0,0,0,2,0,0|2,0,0]=4 48 B10R2.71 O=C1CC2CCC(C1)N2 N14390 [0,0,0,2,0,0|2,0,0]=4 49 B6R0.3 COC(=O)[C@H](C)Cl M7191 [1,0,0,0,1,0|1,0,0]=3