0 B4R0.2 C#CCCO 9231 [0,0,0,0,0,0|1,1,1]=3 1 B4R0.2 C(CN)CBr 9620 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 C(CO)CBr 8105 [0,0,0,0,0,0|1,1,0]=2 3 B4R0.2 C(CO)CI 8013 [0,0,0,0,0,0|1,1,0]=2 4 B4R0.2 C=CCCBr 5697 [0,0,0,0,0,0|2,0,1]=3 5 B4R0.2 COCCBr 5599 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.1 C#CCCl 10536 [1,0,0,0,0,0|1,0,2]=4 7 B3R0.1 C#CCN 9972 [1,0,0,0,0,0|1,0,2]=4 8 B3R0.1 C(C#N)Br 6017 [1,0,0,0,0,0|2,0,1]=4 9 B3R0.1 C(CI)F 10671 [1,0,0,0,0,0|2,0,0]=3 10 B3R0.1 C(CO)O 5930 [1,0,0,0,0,0|0,2,0]=3 11 B3R0.1 CNOC 5044 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 CN(C)CCCl 5994 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.2 C#CCCC#N 10141 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.2 C(CCN)CN 8513 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.2 C(CCl)N=C=O 8994 [0,1,0,0,0,0|1,1,1]=4 16 B5R0.2 COCCCBr 9602 [0,1,0,0,0,0|1,1,0]=3 17 B5R0.3 C(C(=O)CCl)Cl D0044 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.3 C(C(CCl)O)Cl 10131 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.3 C(C(CF)O)F 9295 [0,1,0,0,0,0|2,0,0]=3 20 B5R0.3 C(C(CO)N)O 6680 [0,1,0,0,0,0|0,2,0]=3 21 B5R0.3 C([C@H](CCl)O)O 10506 [0,1,0,0,0,0|1,1,0]=3 22 B5R1.1 C1CCOC1 5749 [0,0,0,1,0,0|1,1,0]=3 23 B5R1.2 C1C(CN1)O 5077 [0,0,0,1,0,0|2,1,0]=4 24 B5R1.2 C1CC(=O)C1 5717 [0,0,0,1,0,0|1,1,1]=4 25 B5R1.3 C1CC1C=O 8503 [0,0,0,1,0,0|1,1,1]=4 26 B5R1.3 C1CC1CN 9710 [0,0,0,1,0,0|2,0,0]=3 27 B5R1.3 C1CC1CO 6152 [0,0,0,1,0,0|1,1,0]=3 28 B2R0.1 C(I)I 9405 [2,0,0,0,0,0|2,0,0]=4 29 B2R0.1 CCI 10444 [2,0,0,0,0,0|1,0,0]=3 30 B2R0.1 CON 6780 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.1 B(CC)(O)O 5199 [1,1,0,0,0,0|1,1,0]=4 32 B4R0.1 C(C(F)F)I 5445 [1,1,0,0,0,0|2,0,0]=4 33 B4R0.1 CC(CO)N 6831 [1,1,0,0,0,0|0,1,0]=3 34 B4R0.1 CCC(=O)N 8889 [1,1,0,0,0,0|0,1,1]=4 35 B4R0.1 CCS(=O)[O-] 8969 [1,1,0,0,0,0|1,1,0]=4 36 B4R0.1 C[C@H](CO)N 5724 [1,1,0,0,0,0|0,1,0]=3 37 B6R0.3 C([C@@H](C(=O)O)N)S 6874 [0,2,0,0,0,0|0,1,1]=4 38 B6R0.4 C(CC(=O)O)CN 6222 [0,2,0,0,0,0|1,1,0]=4 39 B6R0.4 CCCCC(=O)C 9447 [0,2,0,0,0,0|1,1,0]=4 40 B6R0.4 CN(C)CCCCl 5846 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.6 C(CBr)OCCBr 6238 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.6 C(CCBr)CC#N 8151 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.6 C(CCO)CCBr 9446 [0,2,0,0,0,0|1,1,0]=4 44 B6R0.6 C(CO)NCCO 10566 [0,2,0,0,0,0|0,2,0]=4 45 B6R0.6 C(COCCCl)O 5879 [0,2,0,0,0,0|1,1,0]=4 46 B6R0.6 C=CCCCCBr 5037 [0,2,0,0,0,0|2,0,0]=4 47 B6R0.6 CCCNCCC 9551 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.6 COCCCCBr 8517 [0,2,0,0,0,0|1,1,0]=4 49 B4R1.1 C1CNC1 9575 [1,0,0,1,0,0|1,0,0]=3 50 B4R1.2 C1CC1N 6164 [1,0,0,1,0,0|1,0,0]=3 51 B6R1.2 C1CC(=O)NC1 P0006 [0,1,0,1,0,0|1,1,0]=4 52 B6R1.2 C1CC(=O)OC1 8838 [0,1,0,1,0,0|0,2,0]=4 53 B6R1.2 C1CCC(=O)C1 9600 [0,1,0,1,0,0|1,1,0]=4 54 B6R1.2 C1CCC(C1)Br 6579 [0,1,0,1,0,0|2,0,0]=4 55 B6R1.2 C1COCC1O 5705 [0,1,0,1,0,0|0,2,0]=4 56 B6R1.2 C1COCC1O 6234 [0,1,0,1,0,0|0,2,0]=4 57 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [0,1,0,1,0,0|1,1,0]=4 58 B6R1.1 C1CC=COC1 6859 [0,1,0,1,0,0|1,1,0]=4 59 B6R1.1 C1CSCCN1 6569 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.1 C1CSCSC1 6870 [0,1,0,1,0,0|0,0,0]=2 61 B6R1.6 C1CC(C1)CO 8690 [0,1,0,1,0,0|1,1,0]=4 62 B6R1.7 CC1(CO1)CCl 8874 [0,1,0,1,0,0|1,1,0]=4