0 B12R2.2786 CC1(C2CCC1(C(C2)N)C)C TS50993 [0,0,0,0,0,0|1,0,1]=2 1 B12R2.2786 C[C@@]12CCC(C1(C)C)C[C@@H]2N TS50992 [0,0,0,0,0,0|1,0,1]=2 2 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)CC2=O TS10230 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2N TS10349 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.2786 C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O TS10486 [0,0,0,0,0,0|0,0,2]=2 5 B12R2.2786 C[C@]12CC[C@H](C1(C)C)CC2=O TS10231 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.6173 CC1(C2CCC1(C(=NO)C2)C)C TS12423 [0,1,0,0,0,0|0,0,1]=2 7 B13R2.6173 C[C@@]12CCC(C1(C)C)CC2=NO TS12425 [0,1,0,0,0,0|0,0,1]=2 8 B13R2.6173 C[C@@]12CC[C@@H](C1(C)C)CC2OC TS44918 [0,1,0,0,0,0|0,0,2]=3 9 B13R2.11579 CC1(C2CCC1(C(C2)(C)O)C)C TS44925 [0,1,0,0,0,0|0,0,2]=3 10 B13R2.11579 C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C)O TS45358 [0,1,0,0,0,0|0,0,2]=3 11 B13R2.16542 C[C@@]12CC[C@@H](C1(C)C)C(=O)C2=O TS12254 [0,1,0,0,0,0|0,0,1]=2 12 B13R2.16542 C[C@@]12CC[C@@H](C1(C)C)C(C2=O)Br TS53137 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.16542 C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)Br TS53138 [0,1,0,0,0,0|0,0,0]=1 14 B13R2.16542 C[C@]12CC[C@H](C1(C)C)C(=O)C2=O TS12264 [0,1,0,0,0,0|0,0,1]=2 15 B13R2.16542 C[C@]12CC[C@H](C1(C)C)[C@H](C2=O)Br TS53139 [0,1,0,0,0,0|0,0,0]=1 16 B13R2.16844 CC1([C@@H]2CC[C@]1([C@@H](C2)O)CS)C TS15696 [0,1,0,0,0,0|0,0,2]=3 17 B11R1.21 CC1=CCC(CC1=O)C(C)C TS10213 [0,0,1,0,0,0|0,0,2]=3 18 B11R1.21 CC1CCC(CC1=O)C(C)C TS10483 [0,0,1,0,0,0|0,0,0]=1 19 B11R1.21 CC1CC[C@H](CC1=O)C(C)C TS10502 [0,0,1,0,0,0|0,0,0]=1 20 B10R1.13 CC(C)C1CCC(CC1)O TS06750 [1,0,1,0,0,0|1,0,1]=4 21 B10R1.13 CC1=CC[C@@H](CC1)C(C)C TS06322 [1,0,1,0,0,0|0,0,1]=3 22 B10R1.13 CC1CCC(CC1)C(C)C TS06537 [1,0,1,0,0,0|0,0,1]=3 23 B10R1.13 C[C@H]1CC[C@@H](CC1)C(C)C TS06530 [1,0,1,0,0,0|0,0,1]=3 24 B10R1.13 C[C@H]1CC[C@H](CC1)C(C)C TS06533 [1,0,1,0,0,0|0,0,1]=3 25 B10R1.113 CC(C)N1CCCC(=O)C1 TS46973 [1,0,1,0,0,0|1,0,0]=3 26 B10R1.176 CN1CCC(CC1=O)CN TS87165 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.176 CN1CCC(CC1=O)CO TS89046 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.61 CC(C)C1C(=O)NCCN1 TS06735 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.61 CC(C)C1CCCCC1=O TS06491 [1,0,1,0,0,0|0,0,0]=2 30 B10R1.230 CC1(CCCCC1=O)NO TS14487 [1,0,1,0,0,0|2,0,0]=4 31 B10R1.128 CC1(CNCC1C(=O)O)C TS09563 [1,0,1,0,0,0|2,0,0]=4 32 B10R1.128 C[N+]1(CCC[C@H]1C(=O)O)C TS14489 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.23 CC1=CC[C@@H](CC1=O)C(C)(C)O TS15649 [0,1,1,0,0,0|0,0,2]=4 34 B12R1.367 CC1CCC(CC1S)C(C)CS TS38704 [0,1,1,0,0,0|0,1,1]=4 35 B12R1.904 CC1(CCCCC1=O)C(F)(F)F TS14564 [0,1,1,0,0,0|2,0,0]=4 36 B12R1.3889 C[C@H]1CC[C@@](C1(C)C)(C)C(=O)O TS12858 [0,1,1,0,0,0|0,0,0]=2 37 B12R2.508 CC1([C@@H]2CC[C@H]1C(=O)C2=O)C TS10186 [1,1,0,0,0,0|0,0,1]=3 38 B14R2.27718 C[C@@]12CC[C@@H](C1(C)C)C(=O)OC2=O TS14978 [0,1,0,0,0,1|0,0,1]=3 39 B14R2.27073 C[C@]12CC[C@H](C1(C)C)C[C@@H]2OC=O TS15016 [0,2,0,0,0,0|0,0,1]=3 40 B14R2.62291 B(C1=CC2CC[C@@]1(C2(C)C)C)(O)O TS14495 [0,2,0,0,0,0|0,0,2]=4 41 B14R2.17233 C[C@@]12CC[C@@H](C1(C)CBr)[C@@H](C2=O)Br TS76380 [0,2,0,0,0,0|0,0,0]=2 42 B14R2.27846 CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C TS14965 [0,2,0,0,0,0|0,0,1]=3 43 B14R2.27846 CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C TS14966 [0,2,0,0,0,0|0,0,1]=3 44 B10R0.57 CCC(C)C(=O)OCC(C)C TS11020 [0,0,2,0,0,0|1,0,0]=3 45 B10R0.93 CC(C)C(=O)CC(=O)C(C)C TS08801 [0,0,2,0,0,0|1,0,1]=4 46 B12R2.2863 B[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C TS81584 [0,0,1,1,0,0|1,0,1]=4 47 B12R2.2863 CC1C2CC(C2(C)C)CC1O TS10500 [0,0,1,1,0,0|0,0,2]=4 48 B12R2.2863 CC1C2CC(C2(C)C)CC1O TS41432 [0,0,1,1,0,0|0,0,2]=4 49 B12R2.1146 CC1C2CC(C1(C)C)CC2=O TS10214 [0,0,1,1,0,0|0,0,0]=2 50 B12R3.4045 C[C@@]12[C@H]3[C@@H]1C[C@H](C3)C2(C)C TS37054 [1,0,0,1,0,0|0,0,1]=3 51 B12R1.3966 CC1(C(CCC(O1)(C)C=C)O)C TS45177 [0,0,1,0,0,1|2,0,0]=4 52 B12R2.5234 C[C@@]12OC([C@@H](CC1)CC2)(C)C TS10498 [1,0,0,0,0,1|0,0,1]=3