0 B9R0.44 CC(CC=O)CC(C)(C)C 241564 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.21 CC(C)(C)NCCC#N 018333 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.21 CC(C)(C)NCCCO 180090 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.21 CNCCNC(C)(C)C 024603 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.24 C[N+](C)(C)CC(O)CCl 242955 [1,0,0,0,0,0|3,0,0]=4 5 B10R0.31 CC(=O)CC(=O)OC(C)(C)C 235667 [0,1,0,0,0,0|2,0,1]=4 6 B10R0.31 CC(=O)OC(C)C[N+](C)(C)C 046841 [0,1,0,0,0,0|2,0,0]=3 7 B10R0.31 CC(C)(C)OC(=O)CC(=O)O 222025 [0,1,0,0,0,0|2,0,1]=4 8 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C 174700 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.31 CC(CC(=O)O)CC(C)(C)C 174600 [0,1,0,0,0,0|0,0,0]=1 10 B10R0.31 CC(CC(N)=O)CC(C)(C)C 102219 [0,1,0,0,0,0|0,0,0]=1 11 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] 448663 [0,1,0,0,0,0|2,0,0]=3 12 B10R0.48 CC(C)(C)CC(C)(C)N=C=O 103867 [0,1,0,0,0,0|1,0,1]=3 13 B10R0.48 CC(C)(C)CC(C)(C)N=C=S 009556 [0,1,0,0,0,0|1,1,1]=4 14 B10R1.329 CC1(C)CC(=O)C=C(N)C1 333193 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.329 CC1(C)CC(=O)CC(=O)C1 011151 [0,0,0,1,0,0|1,0,1]=3 16 B10R1.329 CC1(C)CC(=O)NC(=O)C1 237024 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.329 CC1=CC(=O)CC(C)(C)C1 094564 [0,0,0,1,0,0|0,0,2]=3 18 B10R1.329 CC1=CC(O)CC(C)(C)C1 013734 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.329 CC1CC(=O)CC(C)(C)C1 174500 [0,0,0,1,0,0|0,0,0]=1 20 B10R1.329 CC1CC(O)CC(C)(C)C1 046887 [0,0,0,1,0,0|0,0,2]=3 21 B10R1.329 C[C@H]1C[C@@H](O)CC(C)(C)C1 336647 [0,0,0,1,0,0|0,0,2]=3 22 B7R0.2 CC(C)C[C@H](N)CO M03441 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.4 CC(C)CCNC=O 104304 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.4 CC(C)CCON=O 046832 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.8 C=CCNC(C)(C)C 102065 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.8 CC(C)(C)NCCCl 098591 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.8 CC(C)(C)NCCO 116000 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.8 CC(C)(C)OCCO 139800 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.8 CC(C)(C)SCCN 018341 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.8 CNCCC(C)(C)C 104302 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.8 C[N+](C)(C)CCCBr 242798 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.9 C=C(C)CC(C)(C)C 099019 [2,0,0,0,0,0|0,0,1]=3 33 B7R0.9 C=C(C)C[Si](C)(C)C S11005 [2,0,0,0,0,0|0,1,1]=4 34 B7R0.9 CC(=O)NC(C)(C)C 342025 [2,0,0,0,0,0|1,0,1]=4 35 B7R0.9 CC(=O)OC(C)(C)C 094033 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [2,0,0,0,0,0|1,0,1]=4 37 B7R0.9 CC(C)(C)CC(=O)O 078718 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.9 CC(C)(C)CC(Cl)Cl 103313 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.9 CC(C)(C)CC(N)=O 102508 [2,0,0,0,0,0|1,0,1]=4 40 B7R0.9 CC(C)CC(C)(C)C 005420 [2,0,0,0,0,0|0,0,0]=2 41 B7R0.9 CC(C)CC(C)(C)C 101606 [2,0,0,0,0,0|0,0,0]=2 42 B9R0.53 CC(=O)CC(=O)CC(C)C 156900 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 040136 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.56 C[N+](C)(C)CCCC(=O)O 241255 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.30 [C-]#[N+]C(C)(C)CC(C)(C)C 021023 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.119 CNC(=O)CC(C)CC(C)(C)C 104337 [0,2,0,0,0,0|0,0,0]=2 47 B11R0.119 COC(=O)CC(C)CC(C)(C)C 106924 [0,2,0,0,0,0|0,0,0]=2 48 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C 005384 [0,2,0,0,0,0|1,0,1]=4 49 B9R1.34 CC1CC(=O)CC(=O)C1 011195 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.133 CC1(C)OC[C@H](C=O)O1 038227 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.10 CNC1=CC(=O)CC(C)(C)C1 180211 [0,1,0,1,0,0|0,0,2]=4 52 B11R1.1362 CC1(C)CC(=O)CC(C)(C)C1 322089 [0,1,0,1,0,0|0,0,0]=2 53 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 240897 [0,1,0,1,0,0|1,0,0]=3 54 B11R1.1362 CC1(C)CC(O)CC(C)(C)C1 440314 [0,1,0,1,0,0|0,0,2]=4 55 B11R1.1361 CC1(C)CC(=O)C(Br)C(=O)C1 217601 [0,1,0,1,0,0|1,0,1]=4 56 B7R0.14 CC(C)(C)C(O)CO 105040 [1,0,0,0,1,0|1,0,1]=4 57 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [1,0,0,0,1,0|1,0,1]=4 58 B7R0.14 CC(CO)C(C)(C)C 102491 [1,0,0,0,1,0|0,0,1]=3 59 B7R0.14 CCC(O)C(C)(C)C 106616 [1,0,0,0,1,0|1,0,1]=4