0 B5R0.1 CCOC(=S)Cl 470560 [0,0,0,0,0,0|1,1,0]=2 1 B5R0.1 CCOC(N)=S 105176 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.1 [2H]C(=O)OCC 105259 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 COC(N)=S 105257 [1,0,0,0,0,0|1,1,0]=3 4 B4R0.1 [2H]C(=O)OC 105254 [1,0,0,0,0,0|1,0,0]=2 5 B4R0.2 CCN=C=O 386377 [1,0,0,0,0,0|1,0,1]=3 6 B4R0.2 COCC=O 105128 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.2 CSCCBr 472152 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(=O)OC 075947 [0,1,0,0,0,0|0,0,0]=1 9 B6R0.2 CC(=O)OC(C)=O 035908 [0,1,0,0,0,0|0,0,1]=2 10 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.3 CCC(C)C(C)N 214338 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 CCC(C)S(=O)[O-] 070719 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.3 CCC(N)C(C)C 214340 [0,1,0,0,0,0|2,0,1]=4 14 B6R0.3 CCN(Cl)C(=O)O 105234 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.3 COC(C)C(=O)O 219524 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.4 CC(C)CCCBr 113000 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.4 CCCCC(C)=O 098350 [0,1,0,0,0,0|1,0,0]=2 18 B3R0.1 [C-]#[N+]CC 433365 [2,0,0,0,0,0|1,0,1]=4 19 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|0,0,0]=2 20 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|0,0,0]=2 21 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,0]=2 22 B3R0.2 O=C(O)O 094746 [2,0,0,0,0,0|1,0,0]=3 23 B3R0.2 O=C(O)O 105338 [2,0,0,0,0,0|1,0,0]=3 24 B3R0.2 O=C([O-])[O-] 044706 [2,0,0,0,0,0|1,0,1]=4 25 B3R0.2 O=C([O-])[O-] 245931 [2,0,0,0,0,0|1,0,1]=4 26 B3R0.2 [2H]C(=O)O 105268 [2,0,0,0,0,0|1,0,0]=3 27 B3R0.2 [2H]C(=O)[O-] 105199 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.3 CCC(S)CC 105148 [1,1,0,0,0,0|0,1,1]=4 29 B5R0.3 CNC(=O)NN 237741 [1,1,0,0,0,0|2,0,0]=4 30 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,1]=4 31 B5R0.4 COC(C)(C)C 106403 [1,1,0,0,0,0|1,0,1]=4 32 B5R0.5 O=C(Cl)C(F)Cl 104873 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.2 CCOCC#N 104806 [1,1,0,0,0,0|0,0,2]=4 34 B5R0.2 N#CCCC=O 101160 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.2 C=CC(C)CC(=O)O 229282 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.2 CC(C)CC(=O)NN 061371 [0,2,0,0,0,0|2,0,0]=4 37 B7R0.3 C=CCOC(=O)CBr 246134 [0,2,0,0,0,0|0,0,1]=3 38 B7R0.5 C=CCC(F)C(C)=O 049763 [0,2,0,0,0,0|1,0,1]=4 39 B7R0.5 NC(=O)C(Br)CCBr 105247 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.7 CCOC(=O)OCC 094215 [0,2,0,0,0,0|0,0,0]=2 41 B7R0.10 COC(=O)C(C)CBr 104870 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.11 CCOC(C)(C)CN 214334 [0,2,0,0,0,0|1,0,1]=4 43 B7R0.9 CC(=O)CC(F)(F)F 007508 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.16 CC(=O)C(F)C(C)=O 049764 [0,2,0,0,0,0|1,0,1]=4 45 B7R0.4 CNCCCC(=O)O 242011 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.4 O=[N+]([O-])OCCCBr 105835 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.6 CN(C)CCC(N)=O 043225 [0,2,0,0,0,0|2,0,0]=4 48 B7R0.8 CS(=O)(=O)NCCBr 104847 [0,2,0,0,0,0|2,0,0]=4 49 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,0,1]=3 50 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,0,1]=3 51 B5R1.1 C1CCOC1 106169 [1,0,0,1,0,0|0,0,1]=3