0 B12R2.2786 CC1(C2CCC1(C(=O)C2)Br)C T204315 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.2786 CC1(C2CCC1(C(C2)Cl)C)C T331201 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.2786 CC1(C2CCC1(C(C2)N)C)C T277967 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.2786 CC1(C2CCC1(C(C2)O)C)C PH000115 [0,0,0,0,0,0|0,0,2]=2 4 B11R2.732 CC1(C2CCC1C(=O)C2)C S461490 [1,0,0,0,0,0|0,0,0]=1 5 B13R2.6173 C1(CC2CCC1(C2(C)C)C)NC T276154 [0,1,0,0,0,0|1,0,1]=3 6 B13R2.6173 CC1\2CCC(C1(C)C)C/C2=N\O R522899 [0,1,0,0,0,0|0,0,1]=2 7 B13R2.16542 [C@@H]12CC[C@@](C1(C)C)(C(=O)C2Br)C S373192 [0,1,0,0,0,0|0,0,0]=1 8 B13R2.16844 C(=O)C12CCC(C1(C)C)CC2=O T235342 [0,1,0,0,0,0|0,0,1]=2 9 B13R2.16844 CC1(C2CCC1(C(=O)C2)CBr)C T280038 [0,1,0,0,0,0|0,0,0]=1 10 B13R2.16844 CC1(C2CCC1(C(=O)C2)CI)C T287881 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.18788 CC12CCC(C1(C)CBr)CC2=O T195197 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.21 CC1CC[C@H](CC1=O)C(C)C T218626 [0,0,1,0,0,0|0,0,0]=1 13 B11R1.1386 CC1(CCCC1(C)C(=O)O)C T278106 [0,0,1,0,0,0|1,0,0]=2 14 B10R1.13 CC1CCC(CC1)C(C)O PH000605 [1,0,1,0,0,0|1,0,1]=4 15 B10R1.113 CC(C)C1CCCC(=O)C1 S883786 [1,0,1,0,0,0|0,0,0]=2 16 B10R1.113 CC(C)[C@@H]1CCOC(=O)C1 T253251 [1,0,1,0,0,0|1,0,0]=3 17 B10R1.176 CCC1CCC(=O)C(=O)C1 PH008686 [1,0,1,0,0,0|1,0,1]=4 18 B10R1.444 CC1(CC(=O)OC1CO)C R160636 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.61 CC(C)N1CCCNC1=O PH009682 [1,0,1,0,0,0|2,0,0]=4 20 B10R1.230 CC1(CCCCC1=O)CO T183903 [1,0,1,0,0,0|1,0,0]=3 21 B12R1.367 CC1CCC(CC1S)C(C)CS S409138 [0,1,1,0,0,0|0,1,1]=4 22 B12R1.1005 CC1C(=O)CC(CC1=O)C(C)C T203645 [0,1,1,0,0,0|0,0,1]=3 23 B12R1.1274 CC(C)[C@H]1CCC(C(C1)O)(C)O T218375 [0,1,1,0,0,0|0,0,2]=4 24 B12R1.3889 CC1CCC(C1(C)C)(C)C(=O)O T216380 [0,1,1,0,0,0|0,0,0]=2 25 B14R2.27718 CC12CCC(C1(C)C)C(=O)NC2=O S771287 [0,1,0,0,0,1|0,0,1]=3 26 B14R2.27718 [C@@H]12CC[C@@](C1(C)C)(C(=O)OC2=O)C S487244 [0,1,0,0,0,1|0,0,1]=3 27 B14R2.29376 [C@H]12CCC(=O)C(C1(C)C)(NC2=O)C S958077 [0,1,0,0,0,1|1,0,1]=4 28 B14R2.27073 C(=O)NC1CC2CCC1(C2(C)C)C T176117 [0,2,0,0,0,0|0,0,1]=3 29 B14R2.27073 CC1(C2CCC1(C(C2)N=C=O)C)C T293490 [0,2,0,0,0,0|0,0,1]=3 30 B14R2.62291 CN(N)C1CC2CCC1(C2(C)C)C PH012510 [0,2,0,0,0,0|1,0,1]=4 31 B14R2.17233 CC12CCC(C1(C)CBr)C(C2=O)Br S957798 [0,2,0,0,0,0|0,0,0]=2 32 B14R2.86733 CC1(C2CCC1(C(=O)C2Br)CBr)C L119113 [0,2,0,0,0,0|0,0,0]=2 33 B14R2.27846 CC1(C2CCC1(C(=O)C2)C(=O)Cl)C T204447 [0,2,0,0,0,0|0,0,1]=3 34 B14R2.47207 CC1(C2CCC1(C(=O)C2)CBr)CBr T283673 [0,2,0,0,0,0|0,0,0]=2 35 B14R2.22303 CC12CCC(C1(C)C(=O)O)CC2=O S958484 [0,2,0,0,0,0|0,0,1]=3 36 B14R2.86732 C(=O)[C@]12CC[C@](C1(C)C)(C(=O)O2)C T252026 [0,2,0,0,0,0|1,0,0]=3 37 B14R2.86732 C=CC12CCC(C1(C)C)(C(=O)O2)C T256528 [0,2,0,0,0,0|1,0,0]=3 38 B14R2.86732 CC1([C@@]2(CC[C@]1(C(=O)O2)C)CO)C T252077 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.93 CC(=CC(=O)C(C)C)C(C)C S38521 [0,0,2,0,0,0|0,0,2]=4 40 B12R2.2863 C=C1C(=O)CC2CC1C2(C)C T272655 [0,0,1,1,0,0|0,0,2]=4 41 B12R2.3906 [C@H]12C[C@H]([C@@H](C[C@H]1C2(C)C)O)C T280585 [0,0,1,1,0,0|0,0,2]=4 42 B12R2.1140 C[N+]1(C2CCC1CC(=O)C2)C T298921 [0,0,1,1,0,0|1,0,0]=3 43 B12R2.5952 CC12CCC(C1(C)C)CNC2 T176249 [0,0,1,1,0,0|2,0,0]=4 44 B12R3.1317 O=C1CC2CCC1C23CC3 T294403 [1,0,0,1,0,0|0,0,0]=2 45 B14R3.4448 CC12CSCC13CCC2CC3=O T235393 [0,1,0,1,0,0|0,0,0]=2 46 B12R1.1218 CC1CCC(NC(=O)C1)C(C)C T176168 [0,0,1,0,0,1|1,0,0]=3