0 B5R0.2 C(=O)NNC=O 6872 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C(CCN)CN 8513 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 C(CCl)N=C=O 8994 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 COCCCBr 9602 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.2 C#CCCO 9231 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.2 C(CN)CBr 9620 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 C(CO)CBr 8105 [1,0,0,0,0,0|1,0,2]=4 7 B4R0.2 C(CO)CI 8013 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.2 C=CCCBr 5697 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.2 COCCBr 5599 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.1 CCCC(=O)NN 9684 [0,1,0,0,0,0|3,0,0]=4 11 B6R0.1 CCOC(=O)C=O 6826 [0,1,0,0,0,0|2,0,0]=3 12 B6R0.4 C(CC(=O)O)CN 6222 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.4 C=CCCC(=O)O 5031 [0,1,0,0,0,0|1,0,2]=4 14 B6R0.4 CCCCC(=O)C 9447 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.6 C(CBr)OCCBr 6238 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.6 C(CCBr)CC#N 8151 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.6 C(CCO)CCBr 9446 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.6 C(COCCCl)O 5879 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.6 C=CCCCCBr 5037 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.6 CCCNCCC 9551 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.6 COCCCCBr 8517 [0,1,0,0,0,0|2,0,1]=4 22 B6R1.1 C1CC=COC1 6859 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.1 C1CSCSC1 6870 [0,0,0,1,0,0|0,2,1]=4 24 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 C1CC(=O)NC1 P0006 [0,0,0,1,0,0|1,0,0]=2 26 B6R1.2 C1CC(=O)OC1 8838 [0,0,0,1,0,0|0,0,0]=1 27 B6R1.2 C1CCC(=O)C1 9600 [0,0,0,1,0,0|1,0,0]=2 28 B6R1.2 C1CCC(C1)Br 6579 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 C1CNC(=O)N1 6785 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 C1COCC1O 5705 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 C1COCC1O 6234 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.6 C1CC(C1)CO 8690 [0,0,0,1,0,0|1,0,2]=4 33 B3R0.1 C(CI)F 10671 [2,0,0,0,0,0|2,0,0]=4 34 B3R0.1 C(CO)O 5930 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.1 CNOC 5044 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 C(C#N)C(=O)N 6851 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.2 C(C(CN)O)C(=O)O 8603 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.3 COC(=O)CCCBr 9868 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.3 COC(=O)CCCN 8415 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.5 C(CN)C(C(=O)O)N 5486 [0,2,0,0,0,0|2,0,0]=4 41 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [0,2,0,0,0,0|2,0,0]=4 42 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCC=CC(=O)[O-] 6126 [0,2,0,0,0,0|1,0,0]=3 44 B7R0.6 CC(=O)CCC(=O)O 6824 [0,2,0,0,0,0|1,0,1]=4 45 B5R1.1 C1CCOC1 5749 [1,0,0,1,0,0|0,0,1]=3 46 B5R1.2 C1CC(=O)C1 5717 [1,0,0,1,0,0|0,0,0]=2 47 B5R1.3 C1CC1C=O 8503 [1,0,0,1,0,0|0,0,0]=2 48 B5R1.3 C1CC1CN 9710 [1,0,0,1,0,0|1,0,1]=4 49 B5R1.3 C1CC1CO 6152 [1,0,0,1,0,0|0,0,2]=4 50 B7R1.2 C1CC(=O)CC1=O 5093 [0,1,0,1,0,0|1,0,1]=4 51 B7R1.3 C1CC=CC(C1)Br 8970 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.3 C1CCC(=O)CC1 5327 [0,1,0,1,0,0|1,0,0]=3 53 B7R1.3 C1CNC(=O)CN1 8468 [0,1,0,1,0,0|1,0,0]=3 54 B7R1.3 C1CNCCC1=O 10646 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.3 C1CNCCC1=O 8608 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.3 C1COCCC1=O 9746 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.3 C1COCCC1N 8234 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.3 C1COCCC1N 9213 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.4 C1COC(=O)C1Br 8284 [0,1,0,1,0,0|0,0,0]=2 60 B7R1.4 CC1C(=O)CCO1 10277 [0,1,0,1,0,0|1,0,0]=3 61 B7R1.4 CN1CCCC1=O 5092 [0,1,0,1,0,0|1,0,0]=3 62 B7R1.4 CN1CCCC1=O M0011 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.18 C1C(CN1)C(=O)O 10615 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.18 C1CC(C1)C(=O)O 8209 [0,1,0,1,0,0|1,0,0]=3 65 B7R1.20 C1CC1CC(=O)O 6163 [0,1,0,1,0,0|1,0,0]=3