0 B8R1.18 C=C1CC(C)OC1=O 2H25-1-3A [0,0,0,0,0,0|2,0,2]=4 1 B8R1.18 CC1=C(C)NC(N)=N1 3H30-1-FL [0,0,0,0,0,0|2,0,2]=4 2 B8R1.18 CC1=C(C)NC(S)=N1 7H61-1-74 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.18 CC1=C(C)OC(=O)O1 2H17-1-75 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.18 CC1=C(C)SC(Br)=N1 7H70-9-0U [0,0,0,0,0,0|1,1,2]=4 5 B8R1.18 CC1=CC(=O)C(C)O1 2H17-1-69 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.18 CC1=CC(=O)OC1O 2425-1-01 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 CC1=CC(S)=C(C)O1 6H61-1-02 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.18 CC1=CN(C)C(Br)=N1 3H30-9-V8 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.18 CC1=NC(C)=C(C)S1 7H70-1-6D [0,0,0,0,0,0|0,1,2]=3 10 B8R1.18 CC1=NN(C)C=C1N 3H30-5-V1 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.18 CC1CC(=O)N(C)C1 4H48-1-34 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.18 C[C@@H]1OC(=O)O[C@@H]1C 2H28-1-Z0 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.2 CC1=CC(=O)CO1 2H17-1-80 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 CC1=CN(C)N=C1 3H32-1-DG [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 CC1=COC(N)=N1 4H30-1-Z4 [1,0,0,0,0,0|1,0,2]=4 16 B7R1.2 CC1CC(=O)CN1 4H17-5-3T [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 CC1CCC(C)N1 3H31-1-33 [1,0,0,0,0,0|1,0,2]=4 18 B7R1.2 CC1CCC(C)O1 2H10-1-1C [1,0,0,0,0,0|1,0,1]=3 19 B7R1.2 C[C@@H]1CC[C@@H](C)N1 3H31-1-R6 [1,0,0,0,0,0|1,0,2]=4 20 B7R1.4 CC1=C(C)NC=N1 3H32-1-24 [1,0,0,0,0,0|1,0,2]=4 21 B7R1.4 CC1=C(C)NC=N1 3H32-5-28 [1,0,0,0,0,0|1,0,2]=4 22 B7R1.4 CC1=C(C)SC=N1 7H70-1-2F [1,0,0,0,0,0|0,1,2]=4 23 B7R1.4 CC1CCOC1=O 2H25-1-2B [1,0,0,0,0,0|3,0,0]=4 24 B7R1.4 CC1OCCC1=O 2H17-1-Y3 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.4 CC1SCCC1=O 6H66-1-68 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.22 CC1=CC(CN)=C(C)O1 4H56-1-WG [0,1,0,0,0,0|1,0,2]=4 27 B9R1.22 CC1=NC(C)=C(C=O)O1 4H15-1-6N [0,1,0,0,0,0|0,0,3]=4 28 B9R1.22 CC1=NC(C=O)=C(C)O1 4H56-1-K2 [0,1,0,0,0,0|0,0,3]=4 29 B9R1.22 CC1=NC(CCl)=C(C)S1 7H70-5-92 [0,1,0,0,0,0|0,1,2]=4 30 B9R1.23 CC1=C(C)SC(CO)=N1 8H01-1-0D [0,1,0,0,0,0|0,1,2]=4 31 B9R1.23 CNC1=NC(C)=C(C)S1 7H70-9-0M [0,1,0,0,0,0|0,1,2]=4 32 B9R1.36 CC1CC(C)(C)CC1=O 2217-1-1J [0,1,0,0,0,0|3,0,0]=4 33 B9R1.37 CC1=NC(C)=C(C)N1C 3H32-1-NU [0,1,0,0,0,0|1,0,2]=4 34 B9R1.37 CC1OC(C)C(=O)C1=O 2H18-1-0D [0,1,0,0,0,0|2,0,0]=3 35 B9R1.38 CC1CC(=O)C(C)(C)C1 2217-1-1L [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 C=CC(C)OC(C)=O 2323-1-1F [0,0,1,0,0,0|1,0,2]=4 37 B7R0.2 CCC(=O)CC(C)C 2117-1-0D [0,0,1,0,0,0|3,0,0]=4 38 B7R0.2 CCC(C)CC(C)C 1100-1-24 [0,0,1,0,0,0|2,0,1]=4 39 B7R0.2 COC(=O)C[C@H](C)O 2129-1-62 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.5 CCCC(=O)C(C)C 2117-1-0L [0,0,1,0,0,0|3,0,0]=4 41 B7R0.5 CCCC(C)C(=O)O 2121-1-0R [0,0,1,0,0,0|3,0,0]=4 42 B7R0.5 CCOC(=O)C(C)Cl 2123-5-1M [0,0,1,0,0,0|3,0,0]=4 43 B7R0.5 CCOC(=O)[C@@H](C)N 4158-5-RF [0,0,1,0,0,0|3,0,0]=4 44 B7R0.5 CCOC(=O)[C@@H](C)O 2129-1-RD [0,0,1,0,0,0|2,0,0]=3 45 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [0,0,1,0,0,0|2,0,1]=4 46 B7R0.5 [C@@H](C)(N)C(=O)OCC 4158-5-SF [0,0,1,0,0,0|3,0,0]=4 47 B7R0.7 CCO[SiH](C)OCC 6183-1-25 [0,0,1,0,0,0|1,1,1]=4 48 B9R2.39 O=C1CC2CCC1C2 2217-1-39 [0,0,0,1,0,0|3,0,0]=4 49 B9R2.39 O=C1NC2CCC1C2 4H48-1-CD [0,0,0,1,0,0|2,0,1]=4 50 B9R2.39 O=C1OC2CCC1C2 2H25-1-2A [0,0,0,1,0,0|3,0,0]=4 51 B9R2.39 OC1CC2CCC1O2 2H10-1-24 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.34 CC1=CC(C)=NC(C)=C1 3H32-3-53 [0,0,0,0,0,1|1,0,2]=4 53 B9R1.34 CC1CC(=O)CC(C)C1 2217-1-1B [0,0,0,0,0,1|3,0,0]=4 54 B9R1.34 CC1CC(=O)CC(C)O1 P612-A-15 [0,0,0,0,0,1|2,0,0]=3 55 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 2H17-1-86 [0,0,0,0,0,1|2,0,0]=3 56 B9R1.69 CC1=CN=C(C)C(C)=N1 3H32-1-DE [0,0,0,0,0,1|1,0,2]=4 57 B9R1.69 C[C@H]1CN(C)[C@H](C)CN1 4H22-1-32 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.69 C[C@H]1CN[C@H](C)CN1C 4H22-1-33 [0,0,0,0,0,1|3,0,0]=4 59 B6R0.1 CCCC(C)C=O 2115-1-12 [1,0,1,0,0,0|2,0,0]=4 60 B6R0.1 CCCC(C)NC 3131-5-06 [1,0,1,0,0,0|1,0,1]=4 61 B6R0.1 CCNC(=O)CC 4148-1-0X [1,0,1,0,0,0|1,0,1]=4 62 B6R0.1 CCOC(C)CC 2107-1-0C [1,0,1,0,0,0|0,0,1]=3 63 B6R0.1 CCO\C(C)=N\O 4147-1-09 [1,0,1,0,0,0|1,0,1]=4 64 B6R0.1 CCSC(=O)CC 6166-1-0B [1,0,1,0,0,0|2,0,0]=4 65 B6R0.1 CC[C@H](C)CCO 2101-1-S3 [1,0,1,0,0,0|1,0,1]=4 66 B6R0.1 COCC(C)OC 2108-1-0D [1,0,1,0,0,0|2,0,0]=4 67 B6R0.2 CC(C)CC(C)Cl 1100-5-09 [1,0,1,0,0,0|2,0,0]=4 68 B6R0.2 CC(C)NC(C)C 3131-1-X2 [1,0,1,0,0,0|2,0,0]=4 69 B6R0.2 C[C@H](O)CN(C)C 4156-1-SH [1,0,1,0,0,0|2,0,0]=4 70 B6R0.4 CCCCC(=N)N 3141-1-03 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.4 CCCCC(C)O 2102-1-07 [1,0,1,0,0,0|1,0,1]=4 73 B6R0.4 CCCC[C@H](C)O 2102-1-S0 [1,0,1,0,0,0|1,0,1]=4 74 B6R0.4 CCOCC(=O)O 2121-1-20 [1,0,1,0,0,0|2,0,0]=4 75 B6R0.4 CCOCC(C)F 2107-3-8K [1,0,1,0,0,0|1,0,1]=4 76 B6R0.3 C=C(Br)C(C)CC 1300-9-17 [1,0,1,0,0,0|1,0,1]=4 77 B6R0.3 CCC(S)C(C)=O 6161-1-00 [1,0,1,0,0,0|2,0,0]=4 78 B6R0.3 CC[C@H](C)C(=O)O 2121-1-S0 [1,0,1,0,0,0|2,0,0]=4 79 B6R0.3 CO[C@@H](C)C(=O)O 2121-1-S1 [1,0,1,0,0,0|2,0,0]=4 80 B6R0.3 CO[C@H](C)C(=O)O 2121-1-R1 [1,0,1,0,0,0|2,0,0]=4 81 B6R0.6 CCOCOCC 2108-1-11 [1,0,1,0,0,0|1,0,1]=4 82 B6R1.2 CC1=CCCC1 1400-1-16 [2,0,0,0,0,0|2,0,0]=4 83 B6R1.2 CC1=NCCC1 3H32-1-41 [2,0,0,0,0,0|1,0,0]=3 84 B6R1.2 CC1=NCCO1 4H56-1-Z8 [2,0,0,0,0,0|0,0,2]=4 85 B6R1.2 CC1=NNCC1 3H32-5-7H [2,0,0,0,0,0|2,0,0]=4 86 B6R1.2 NC1=NCCC1 3H33-5-0L [2,0,0,0,0,0|2,0,0]=4 87 B8R0.5 CCOC(=O)CC(C)O 2129-1-24 [0,1,1,0,0,0|2,0,0]=4 88 B8R0.5 CCOC(=O)C[C@@H](C)O 2129-1-R9 [0,1,1,0,0,0|2,0,0]=4 89 B8R0.16 CCN(CC)CC(C)O 4132-1-02 [0,1,1,0,0,0|2,0,0]=4 90 B8R0.8 CCCOC(=O)C(C)O 2129-1-1G [0,1,1,0,0,0|2,0,0]=4 91 B8R0.12 CCOC(C)(C)C(=O)O 2121-1-0T [0,1,1,0,0,0|2,0,0]=4 92 B8R0.30 CCOC(C)(C)OCC 2208-1-05 [0,1,1,0,0,0|1,0,1]=4 93 B8R1.1 CC1=NC(CBr)=CO1 4H44-9-20 [1,1,0,0,0,0|0,0,2]=4 94 B8R1.1 CC1=NC(CCl)=NO1 4H56-5-MU [1,1,0,0,0,0|1,0,1]=4 95 B8R1.1 CC1=NC(CN)=CO1 4H31-1-63 [1,1,0,0,0,0|0,0,2]=4 96 B8R1.1 CC1=NC(CO)=CO1 4H01-1-V0 [1,1,0,0,0,0|0,0,2]=4 97 B8R1.1 CC1=NC=C(CBr)O1 4H44-9-21 [1,1,0,0,0,0|0,0,2]=4 98 B8R1.1 CC1=NOC(CCl)=N1 4H48-5-GH [1,1,0,0,0,0|1,0,1]=4 99 B8R1.1 CCC1OCC(C)O1 2H10-1-39 [1,1,0,0,0,0|1,0,1]=4 100 B8R1.51 CC1=NC(C)(C)CO1 4H44-1-0A [1,1,0,0,0,0|0,0,2]=4 101 B8R1.11 CC1=C(CO)OC=N1 4H56-1-0DS [1,1,0,0,0,0|0,0,2]=4 102 B8R1.11 CC1OCC\C1=N\O 4H47-1-38 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.118 C[C@@H]1OC(=O)[C@H](C)OC1=O 2H25-1-2T [0,1,0,0,0,1|2,0,0]=4 104 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O 2H25-1-2P [0,1,0,0,0,1|2,0,0]=4 105 B10R1.34 CCC1OC(C)C(=O)C1=O 2H18-1-0F [0,2,0,0,0,0|2,0,0]=4 106 B10R1.130 CNCC1=C(C)OC(C)=N1 4H31-1-Y1 [0,2,0,0,0,0|0,0,2]=4 107 B10R1.256 COC1=C(C)OC(C)C1=O 2H17-1-0V [0,2,0,0,0,0|1,0,1]=4 108 B10R1.560 CC1(C)CC(=O)C(C)(C)O1 2H17-1-77 [0,2,0,0,0,0|2,0,0]=4 109 B8R1.4 CC1CCCC(O)C1 2202-1-1F [0,0,1,1,0,0|1,0,1]=4 110 B8R1.4 CN1CCC[C@@H](O)C1 4H56-1-R01 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.4 CN1CCC[C@H](O)C1 4H56-1-S10 [0,0,1,1,0,0|2,0,0]=4 112 B8R1.5 C[C@H]1CCCC[C@H]1O 2202-1-01 [0,0,1,1,0,0|1,0,1]=4 113 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [0,0,1,1,0,0|2,0,0]=4 114 B8R1.7 CC(C)C1=NCCO1 4H56-1-0HB [0,0,1,1,0,0|2,0,0]=4 115 B8R1.7 N=C(N)C1CCCC1 3241-5-00 [0,0,1,1,0,0|2,0,0]=4 116 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [0,0,1,1,0,0|2,0,0]=4 117 B8R1.37 CCOC(=O)C1CO1 2123-1-0X [0,0,1,1,0,0|2,0,0]=4 118 B8R1.8 CCOC1=NCCC1 4H07-1-6E [0,0,1,1,0,0|0,0,2]=4 119 B8R1.8 CCO[C@@H]1CCNC1 4H07-5-R2 [0,0,1,1,0,0|2,0,0]=4 120 B10R2.71 O=C1CC2CCC(C1)O2 4H17-1-1Z [0,0,0,1,0,1|2,0,0]=4 121 B6R1.5 CC1CC(=O)C1 2217-1-09 [1,0,0,0,1,0|2,0,0]=4 122 B8R0.9 CCC(C)OCC(C)F 2107-3-4M [0,0,1,0,0,1|1,0,1]=4 123 B8R1.3 CC1COC(C)CN1 4H56-1-0PU [1,0,0,0,0,1|0,0,2]=4