0 B6R0.6 C(CBr)OCCBr 6238 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C(CCBr)CC#N 8151 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.6 C(CCO)CCBr 9446 [0,0,0,0,0,0|1,1,0]=2 3 B6R0.6 C(CO)NCCO 10566 [0,0,0,0,0,0|2,1,0]=3 4 B6R0.6 C(COCCCl)O 5879 [0,0,0,0,0,0|2,1,0]=3 5 B6R0.6 C=CCCCCBr 5037 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 CCCNCCC 9551 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.6 COCCCCBr 8517 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.2 C(CCN)CN 8513 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.2 COCCCBr 9602 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.1 C(CCCBr)CCCl 5780 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.1 C(CCCCl)CCO 5053 [0,1,0,0,0,0|0,1,0]=2 12 B7R0.1 C(CCCO)CCN 8387 [0,1,0,0,0,0|0,1,0]=2 13 B7R0.1 C(CN)CNCCN 8496 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.1 CCCCCCCBr 5952 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.3 COC(=O)CCCBr 9868 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.3 COC(=O)CCCN 8415 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.7 CCOC(=O)CCN 8696 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 C1CCC(C1)CO 8627 [0,0,0,1,0,0|0,1,0]=2 19 B7R1.3 C1CC(CNC1)O 10421 [0,0,0,1,0,0|1,1,0]=3 20 B7R1.3 C1CC=CC(C1)Br 8970 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.3 C1CCC(=O)CC1 5327 [0,0,0,1,0,0|0,1,1]=3 22 B7R1.3 C1CCC(CC1)F 8957 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.3 C1CNCCC1=O 10646 [0,0,0,1,0,0|1,1,1]=4 24 B7R1.3 C1CNCCC1=O 8608 [0,0,0,1,0,0|1,1,1]=4 25 B7R1.3 C1CNCCC1F 9573 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.3 C1CNCCC1O 10611 [0,0,0,1,0,0|1,1,0]=3 27 B7R1.3 C1CNCCC1O 5693 [0,0,0,1,0,0|1,1,0]=3 28 B7R1.3 C1COCCC1=O 9746 [0,0,0,1,0,0|1,1,1]=4 29 B7R1.3 C1COCCC1N 8234 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 C1COCCC1N 9213 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 CN1CCNCC1 9747 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.3 CN1CCNCC1 M0081 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.4 CC1C(=O)CCO1 10277 [0,0,0,1,0,0|1,1,1]=4 34 B7R1.4 CN1CCCC1=O 5092 [0,0,0,1,0,0|1,1,1]=4 35 B7R1.4 CN1CCCC1=O M0011 [0,0,0,1,0,0|1,1,1]=4 36 B4R0.2 C(CN)CBr 9620 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.2 C(CO)CBr 8105 [2,0,0,0,0,0|1,1,0]=4 38 B4R0.2 C(CO)CI 8013 [2,0,0,0,0,0|1,1,0]=4 39 B4R0.2 COCCBr 5599 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CCCCC(=O)C 9447 [1,1,0,0,0,0|0,0,1]=3 41 B6R0.4 CN(C)CCCCl 5846 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.4 C=CCCCCCCBr 10114 [0,2,0,0,0,0|1,0,0]=3 43 B8R0.21 C(CCI)CC(F)(F)F 8248 [0,2,0,0,0,0|2,0,0]=4 44 B8R0.21 CCCCCS(=O)(=O)[O-] 5427 [0,2,0,0,0,0|1,1,0]=4 45 B8R0.21 CCCCCS(=O)(=O)[O-] 5871 [0,2,0,0,0,0|1,1,0]=4 46 B6R1.1 C1CSCCN1 6569 [1,0,0,1,0,0|1,0,0]=3 47 B6R1.1 C1CSCSC1 6870 [1,0,0,1,0,0|1,0,0]=3 48 B6R1.2 C1CCC(=O)C1 9600 [1,0,0,1,0,0|0,1,1]=4 49 B6R1.2 C1CCC(C1)Br 6579 [1,0,0,1,0,0|1,0,0]=3 50 B6R1.2 C1COCC1O 5705 [1,0,0,1,0,0|1,1,0]=4 51 B6R1.2 C1COCC1O 6234 [1,0,0,1,0,0|1,1,0]=4 52 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [1,0,0,1,0,0|1,1,0]=4 53 B6R1.6 C1CC(C1)CO 8690 [1,0,0,1,0,0|0,1,0]=3 54 B8R1.2 C1CCNC(C1)CO 6795 [0,1,0,1,0,0|0,1,0]=3 55 B8R1.2 C1CCOC(C1)ON 10111 [0,1,0,1,0,0|1,1,0]=4 56 B8R1.2 C1CNCCC1CO 10405 [0,1,0,1,0,0|0,1,0]=3 57 B8R1.2 C1COCCC1CN 6624 [0,1,0,1,0,0|1,0,0]=3 58 B8R1.5 C1CC[C@H]([C@@H](C1)N)N 8637 [0,1,0,1,0,0|1,0,0]=3 59 B8R1.3 C1C(SCC(S1)O)O 6583 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.3 C1CC(=O)CCC1O 10634 [0,1,0,1,0,0|0,1,1]=4 61 B8R1.3 C1[C@@H](CC[C@H](C1)O)N 5467 [0,1,0,1,0,0|0,1,0]=3 62 B8R1.3 CN1CCC(CC1)Cl 6673 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.3 CN1CCC(CC1)O 5494 [0,1,0,1,0,0|1,1,0]=4 64 B8R1.4 CC1CCCC(N1)C 10243 [0,1,0,1,0,0|1,0,0]=3 65 B8R1.7 C1CCC(C1)C(=O)O 8636 [0,1,0,1,0,0|0,1,1]=4 66 B8R1.72 C1CNCCC1(F)F 9270 [0,1,0,1,0,0|2,0,0]=4