0 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,0,0,0,0|1,1,2]=4 2 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,0,0,0,0,0|0,0,2]=2 4 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,0,0,0,0,0|0,1,2]=4 12 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,0,0,0,0,0|0,0,2]=3 13 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [1,0,0,0,0,0|0,0,0]=1 15 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,0,0,0|1,0,2]=4 16 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,0,0,0|1,0,2]=4 21 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,0,0,0|0,0,3]=4 23 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.11 CCOC(=O)C1=CSN=N1 CNP0040312.0 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.14 CCC(=O)C1=CC=C(S1)C CNP0030242.0 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.14 CCC(=O)C1=NC(=CS1)C CNP0322098.0 [0,1,0,0,0,0|0,0,2]=3 29 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,0,1,0,0,0|1,1,0]=3 32 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,0,1,0,0,0|1,1,0]=3 35 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,1,0,0,0|2,0,0]=3 36 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,1,0,0,0|3,0,0]=4 39 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [0,0,1,0,0,0|2,0,1]=4 40 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,0,0,0,0,1|1,0,2]=4 42 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,0,0,0,0,1|1,0,2]=4 43 B10R1.15 CCC(=O)C1=CCCCN1 CNP0358060.0 [0,0,0,0,0,1|1,0,1]=3 44 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,0,0,0,0,1|1,0,2]=4 45 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,0,0,0,0,1|3,0,0]=4 47 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,0,1,0,0,0|1,0,1]=4 48 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,1,0,0,0|1,1,0]=4 49 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,1,0,0,0|1,0,0]=3 50 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,1,0,0,0|1,1,0]=4 53 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,0,1,0,0,0|1,1,0]=4 54 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,1,0,0,0|1,1,0]=4 55 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,0,1,0,0,0|0,1,0]=3 60 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,0,1,0,0,0|1,0,1]=4 62 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,1,0,0,0|1,1,0]=4 64 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.12 CCC=C(CC)CC CNP0530661.0 [1,0,1,0,0,0|2,0,0]=4 68 B7R1.1 CCC1=CCCC1 CNP0080677.0 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [2,0,0,0,0,0|0,0,2]=4 70 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,1,1,0,0,0|1,1,0]=4 71 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,1,1,0,0,0|1,1,0]=4 72 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,1,1,0,0,0|1,1,0]=4 73 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,1,1,0,0,0|1,1,0]=4 75 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,1,1,0,0,0|1,1,0]=4 76 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,1,0,0,0|2,0,0]=4 77 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,1,0,0,0|2,0,0]=4 79 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [1,1,0,0,0,0|0,0,2]=4 80 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.16 COCC(=O)C1=CCCNC1 CNP0076774.0 [0,1,0,0,0,1|1,0,1]=4 84 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,1,1,0,0|1,1,0]=4 85 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,0,1,1,0,0|1,1,0]=4 86 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,0,1,1,0,0|1,1,0]=4 87 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,1,1,0,0|1,1,0]=4 88 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,0,1,1,0,0|1,1,0]=4 90 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,1,1,0|1,0,1]=4 91 B11R2.1 O=C1CCC2=C1NCCC2 CNP0242482.0 [0,0,0,1,0,1|1,0,1]=4 92 B11R2.1 O=C1CCC2=C1NCOC2 CNP0097429.0 [0,0,0,1,0,1|1,0,1]=4 93 B11R2.2 C1CNC(=N1)C2=NCCN2 CNP0461795.0 [0,1,0,1,0,0|2,0,0]=4 94 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,1,0,1,0,0|2,0,0]=4 95 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [1,0,0,0,1,0|0,0,1]=3 97 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,0,1,0|0,0,2]=4 98 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,0,2,0|1,0,1]=4 99 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,0,0,2,0|1,0,1]=4 100 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,0,0,1|2,0,0]=4 101 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [1,0,0,0,0,1|1,0,1]=4 102 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [1,0,0,0,0,1|0,0,1]=3 103 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [1,0,0,0,0,1|1,0,0]=3 104 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [1,0,0,0,0,1|2,0,0]=4 105 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [1,0,0,0,0,1|1,0,1]=4 106 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,0,0,1|1,0,1]=4