0 B5R0.3 C=C(CBr)CBr 7716AA [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)CN 2095AC [0,0,0,0,0,0|2,1,1]=4 2 B5R0.3 CCC(N)CN Y2034 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CC[C@H](C)C#N 1254AL [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 C[C@@H](CO)CBr 6877AC [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 N#CC(Cl)CCl S763 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 NC(CF)CF 7992AC [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 NC[C@@H](O)CCl Z2104 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.3 NC[C@H](O)CCl Z2048 [0,0,0,0,0,0|2,1,0]=3 9 B5R0.3 O=C(CF)CF 3891AE [0,0,0,0,0,0|2,1,1]=4 10 B5R0.3 O=C(CO)CBr 0236AP [0,0,0,0,0,0|1,1,1]=3 11 B5R0.3 OCC(O)CF 6245AB [0,0,0,0,0,0|1,1,0]=2 12 B5R0.3 OC[C@@H](O)CBr 7112AA [0,0,0,0,0,0|1,1,0]=2 13 B5R0.3 OC[C@H](O)CBr 6586AA [0,0,0,0,0,0|1,1,0]=2 14 B4R0.1 C#C[C@@H](C)N 8949AH [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 C#C[C@@H](C)N 8950AH [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(=O)CN W5227 [1,0,0,0,0,0|1,1,1]=4 17 B4R0.1 CC(=O)OS V0446 [1,0,0,0,0,0|1,1,1]=4 18 B4R0.1 CC(C)NO C506 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CC(Cl)=NO Y1502 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CC(Cl)CCl Y6563 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(O)CN 8099AL [1,0,0,0,0,0|1,1,0]=3 22 B4R0.1 CC[C@H](C)N 4197AL [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 NC(=O)CS 9295AE [1,0,0,0,0,0|1,0,2]=4 24 B4R0.1 O=C([O-])CS Z1770 [1,0,0,0,0,0|0,1,2]=4 25 B4R0.1 O=S([O-])CO 5143AF [1,0,0,0,0,0|1,2,0]=4 26 B4R0.2 CCCC[NH3+] 7121AF [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CCCC[O-] S459 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.2 CCC[Mg]Cl 9030AJ [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 CCNCC Y1600 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 FCCCF Y3147 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 NOCCO 0128AP [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 O=CCCF 2017AC [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 OCC#CI X4687 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 BrCCC(Br)CBr F672 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CC(CN)CCN 7844AA [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 CCCC(Br)CBr R241 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.1 CCCC(N)CC 7574AF [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 CCC[C@@H](C)CO N835 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.1 CCN(C)CCO Z5820 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 CCOC(Br)CBr V0731 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.1 CC[C@@H](N)COC 8544AH [0,1,0,0,0,0|2,0,0]=3 42 B6R0.1 CC[C@H](N)COC 8568AH [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 N#CC[C@H](O)CO Q266 [0,1,0,0,0,0|1,1,0]=3 44 B6R0.1 OCC[C@@H](O)CCl Z2057 [0,1,0,0,0,0|1,1,0]=3 45 B6R0.1 OCC[C@H](O)CCl Z2061 [0,1,0,0,0,0|1,1,0]=3 46 B6R0.3 CC[C@H](C)C(=O)O Z9667 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.3 O=C(O)C(Br)CF 5339AD [0,1,0,0,0,0|2,0,1]=4 48 B6R0.9 C=CC(CC)CO 7511AB [0,1,0,0,0,0|2,0,0]=3 49 B6R1.2 CC1C=COC1 8769AA [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 ClC1CCNC1 X3739 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 NC1CCCC1 0142AP [0,0,0,1,0,0|3,0,0]=4 52 B6R1.2 OC1CC=CC1 X4956 [0,0,0,1,0,0|2,1,0]=4 53 B6R1.6 CNC1COC1 4219AF [0,0,0,1,0,0|3,0,0]=4 54 B6R1.7 C=CC1(C)CO1 2118AL [0,0,0,1,0,0|2,0,1]=4 55 B6R1.7 CC1(CN)CC1 4593AF [0,0,0,1,0,0|3,0,0]=4 56 B6R1.7 CC1(CN)CC1 X3846 [0,0,0,1,0,0|3,0,0]=4 57 B6R1.8 C=C1CC1CO Y8583 [0,0,0,1,0,0|2,0,1]=4 58 B3R0.1 NCCBr 2022AL [2,0,0,0,0,0|2,0,0]=4 59 B3R0.1 NCCF X4686 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 NCCN 6877AF [2,0,0,0,0,0|2,0,0]=4 61 B3R0.2 CC(C)=O 5788AL [2,0,0,0,0,0|0,1,1]=4 62 B3R0.2 CC(C)N 8113AL [2,0,0,0,0,0|1,0,0]=3 63 B3R0.2 CC(C)O 7082AF [2,0,0,0,0,0|0,1,0]=3 64 B3R0.2 CC(Cl)Cl 9227AE [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 C=CC[C@@H](C)O 1174AL [1,1,0,0,0,0|1,1,0]=4 66 B5R0.1 CC(=O)CCS U742 [1,1,0,0,0,0|0,1,1]=4 67 B5R0.1 CC(C)C[Mg]Cl 8723AJ [1,1,0,0,0,0|2,0,0]=4 68 B5R0.1 CC(Cl)CCBr 7250AF [1,1,0,0,0,0|2,0,0]=4 69 B5R0.1 CC(O)CC=O 7261AF [1,1,0,0,0,0|0,1,1]=4 70 B5R0.1 CCCC(C)I 7327AF [1,1,0,0,0,0|2,0,0]=4 71 B5R0.1 C[C@H](O)CC#N W1944 [1,1,0,0,0,0|1,1,0]=4 72 B5R0.5 CC(Br)C(Br)Br 7028AF [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 CC(C)C(C)N 4455AL [1,1,0,0,0,0|2,0,0]=4 74 B5R0.5 CC(Cl)C(C)Cl 5219AL [1,1,0,0,0,0|2,0,0]=4 75 B5R0.2 COCCC=O Y8542 [1,1,0,0,0,0|0,1,1]=4 76 B5R0.2 CSC\C=N\O S678 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 FCCCCF 1855AE [1,1,0,0,0,0|2,0,0]=4 78 B5R0.2 NCCCCCl 5846AB [1,1,0,0,0,0|2,0,0]=4 79 B5R0.2 OC\C=C\CCl Y3343 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [0,2,0,0,0,0|1,1,0]=4 81 B7R0.3 CCC(C)OCCO 1705AL [0,2,0,0,0,0|2,0,0]=4 82 B7R0.15 CCC(CO)[N+](=O)[O-] 7276AF [0,2,0,0,0,0|1,1,0]=4 83 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [0,2,0,0,0,0|1,1,0]=4 84 B7R0.18 NC(CO)(CO)CO V0926 [0,2,0,0,0,0|0,2,0]=4 85 B5R1.2 CC1CCN1 2132AL [1,0,0,1,0,0|2,0,0]=4 86 B5R1.2 NC1CNC1 X8588 [1,0,0,1,0,0|2,0,0]=4 87 B5R1.3 CCC1CN1 Y8453 [1,0,0,1,0,0|2,0,0]=4 88 B5R1.3 ClCC1CS1 Y8722 [1,0,0,1,0,0|1,0,0]=3 89 B5R1.4 CC1OC1C 5247AL [1,0,0,1,0,0|1,1,0]=4 90 B5R1.5 CC1(N)CC1 W4667 [1,0,0,1,0,0|2,0,0]=4 91 B5R1.1 C1CCOC1 V2332 [1,0,0,1,0,0|1,0,0]=3 92 B5R1.1 C1CNNC1 4465AJ [1,0,0,1,0,0|2,0,0]=4 93 B5R1.1 C1CNOC1 4176AJ [1,0,0,1,0,0|1,0,0]=3 94 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [0,1,0,1,0,0|2,0,0]=4 95 B7R1.3 NC1CCSCC1 V4406 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.3 N[C@H]1CCCOC1 X6276 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [0,1,0,1,0,0|2,0,0]=4 100 B7R1.4 O[C@H]1CNC[C@H]1O 5860AA [0,1,0,1,0,0|1,1,0]=4 101 B7R1.25 CC1(CN)CSC1 3849AD [0,1,0,1,0,0|2,0,0]=4