0 B9R1.3 CC1CCCC(C)C1=O SBB059688 [1,0,0,0,0,0|0,0,0]=1 1 B9R1.3 CC1CCCC(C)N1N SBB061736 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.3 CC1CCCC(N)C1C SBB061727 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.3 CN1CCCN(C)C1=O SBB058374 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.40 CC1(C)NCCNC1=O SBB010254 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.25 CC(CO)C(O)C(C)(C)C SBB061329 [0,0,1,0,0,0|1,0,2]=4 6 B11R2.204 C=C1C2CCC(C2)C1(C)C SBB060158 [0,0,0,1,0,0|1,0,0]=2 7 B8R0.7 CC(C)CCCCCBr SBB054753 [1,0,1,0,0,0|1,0,1]=4 8 B8R0.28 CC(=O)OCCC(C)C SBB040873 [1,0,1,0,0,0|1,0,1]=4 9 B8R0.28 CC(C)CCCC(=O)O SBB072713 [1,0,1,0,0,0|1,0,1]=4 10 B8R0.28 CC(C)CNCC(C)C SBB058770 [1,0,1,0,0,0|1,0,1]=4 11 B8R0.28 CC(C)COCC(C)C SBB061320 [1,0,1,0,0,0|1,0,1]=4 12 B8R0.28 CC(C)COCC(C)O SBB061009 [1,0,1,0,0,0|1,0,1]=4 13 B8R0.28 CC(C)CSCC(C)C SBB061180 [1,0,1,0,0,0|1,0,1]=4 14 B8R0.3 COC(=O)C(C)CCCl SBB054131 [1,0,1,0,0,0|2,0,0]=4 15 B8R0.8 CCCCC(=O)C(C)=O SBB008584 [1,0,1,0,0,0|1,0,1]=4 16 B8R0.8 CCCCC(=O)N(C)C SBB007992 [1,0,1,0,0,0|1,0,0]=3 17 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [1,0,1,0,0,0|2,0,0]=4 18 B8R0.14 CC(C)(C)C(=O)CC#N SBB008437 [1,0,1,0,0,0|1,0,1]=4 19 B8R0.14 CNCC(=O)C(C)(C)C SBB002868 [1,0,1,0,0,0|1,0,0]=3 20 B8R0.24 CC(CO)CC(C)(C)C SBB072702 [1,0,1,0,0,0|1,0,1]=4 21 B8R0.34 CC(C)CC(C)(C)CO SBB061316 [1,0,1,0,0,0|1,0,1]=4 22 B8R0.12 CCCC(C)(C)C(=O)O SBB007765 [1,0,1,0,0,0|1,0,0]=3 23 B8R1.4 CC1CCCC(C)C1 SBB061164 [2,0,0,0,0,0|0,0,1]=3 24 B8R1.4 CC1CCCC(C)N1 SBB004313 [2,0,0,0,0,0|1,0,0]=3 25 B8R1.4 CC1CCCC(O)C1 SBB061310 [2,0,0,0,0,0|1,0,1]=4 26 B8R1.4 CC1CCNC(C)C1 SBB004310 [2,0,0,0,0,0|1,0,1]=4 27 B8R1.4 CC1CNCC(C)C1 SBB027312 [2,0,0,0,0,0|1,0,1]=4 28 B8R1.4 CC1CNCC(C)O1 SBB040955 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SBB056139 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.5 CC1=C(C)CCCC1 SBB060472 [2,0,0,0,0,0|1,0,1]=4 31 B8R1.5 CC1CCCCC1=O SBB058517 [2,0,0,0,0,0|0,0,0]=2 32 B8R1.5 CC1CCCCC1N SBB061724 [2,0,0,0,0,0|1,0,1]=4 33 B8R1.5 CC1CCCCN1C SBB060747 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.5 CC1NCCNC1=O SBB080100 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.5 CC1SCCNC1=O SBB111924 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.5 NC1CCCNC1=O SBB012739 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.5 O=C1CCCCC1Cl SBB061548 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.72 CC1(C)CCCNC1 SBB027276 [2,0,0,0,0,0|1,0,1]=4 39 B8R1.72 CC1(C)CCOCO1 SBB060068 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.72 CC1(O)CCCCC1 SBB061165 [2,0,0,0,0,0|1,0,1]=4 41 B10R0.3 C=C(C)CCCC(C)CC=O SBB060466 [0,1,1,0,0,0|0,0,2]=4 42 B10R0.3 CC(C)=CCCC(C)CC=O SBB068490 [0,1,1,0,0,0|0,0,2]=4 43 B10R0.3 CC(C)CCCC(C)CC=O SBB060756 [0,1,1,0,0,0|0,0,0]=2 44 B10R0.3 CC(C)CCC[C@H](C)CCO SBB007911 [0,1,1,0,0,0|0,0,2]=4 45 B10R1.22 CC1CN(C)CC(C)C1=O SBB002813 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.63 CC1CNC(C)(C)C(=O)C1 SBB002833 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.307 CC1(C)COCC(C)(C)N1 SBB000092 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.329 CC1CC(N)CC(C)(C)C1 SBB013727 [1,1,0,0,0,0|0,0,1]=3 49 B12R1.510 CN1C(C)(C)CC(O)CC1(C)C SBB013951 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.510 NC1CC(C)(C)N(C)C(C)(C)C1 SBB116886 [0,2,0,0,0,0|2,0,0]=4 51 B12R1.510 OC1CC(C)(C)N([O])C(C)(C)C1 SBB012370 [0,2,0,0,0,0|1,0,1]=4 52 B12R1.3937 C#CC1(O)C(C)CCCC1(C)C SBB058477 [0,2,0,0,0,0|0,0,2]=4 53 B10R1.13 CC1CCC(C(C)C)CC1 SBB008406 [0,0,1,1,0,0|1,0,1]=4 54 B10R1.315 CC1(C)C(=O)C(C)(C)C1=O SBB008408 [0,0,1,1,0,0|1,0,1]=4 55 B10R2.25 O=C1C2CCC(C2)C1Cl SBB061651 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.509 CC12CCC(C1)C(C)(C)C2O SBB087035 [0,1,0,1,0,0|0,0,2]=4 57 B8R1.50 CN1CCN(C)C1=O SBB008346 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.19 CC1(Br)CCOC1=O SBB057373 [1,0,0,0,1,0|2,0,0]=4 59 B10R0.37 CCC(Br)C(=O)OC(C)(C)C SBB070816 [0,0,1,0,0,1|1,0,0]=3