0 B7R0.1 C(CCCBr)CCCl 5780 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C(CCCCl)CCO 5053 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C(CCCO)CCN 8387 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 C(CN)CNCCN 8496 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCCCCCCBr 5952 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.6 C(CBr)OCCBr 6238 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.6 C(CCBr)CC#N 8151 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 C(CCO)CCBr 9446 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.6 C(CO)NCCO 10566 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 C(COCCCl)O 5879 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.6 C=CCCCCBr 5037 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 CCCNCCC 9551 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.6 COCCCCBr 8517 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.4 C=CCCCCCCBr 10114 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.2 C1CCNC(C1)CO 6795 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.2 C1CCOC(C1)ON 10111 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 C1CNCCC1CO 10405 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 C1COCCC1CN 6624 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.5 C1CC[C@H]([C@@H](C1)N)N 8637 [0,0,0,1,0,0|2,0,1]=4 19 B5R0.2 C(CCN)CN 8513 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.2 COCCCBr 9602 [2,0,0,0,0,0|2,0,0]=4 21 B7R0.4 CCCC=CC(=O)[O-] 6126 [1,1,0,0,0,0|0,0,2]=4 22 B9R0.45 CCCCCCCCNC 9589 [0,2,0,0,0,0|1,0,1]=4 23 B9R0.47 C(CCN)CC(C(=O)O)N 6866 [0,2,0,0,0,0|1,0,0]=3 24 B9R0.47 C(CCN)C[C@@H](C(=O)O)N 6772 [0,2,0,0,0,0|1,0,0]=3 25 B9R0.47 CCCCCC(C)C(=O)O 8193 [0,2,0,0,0,0|0,0,0]=2 26 B9R0.55 CC(=O)NCCCC(=O)O 9971 [0,2,0,0,0,0|1,0,1]=4 27 B7R1.1 C1CCC(C1)CO 8627 [1,0,0,1,0,0|0,0,1]=3 28 B7R1.3 C1CC(CNC1)O 10421 [1,0,0,1,0,0|1,0,1]=4 29 B7R1.3 C1CC=CC(C1)Br 8970 [1,0,0,1,0,0|1,0,1]=4 30 B7R1.3 C1CCC(=O)CC1 5327 [1,0,0,1,0,0|0,0,0]=2 31 B7R1.3 C1CCC(CC1)F 8957 [1,0,0,1,0,0|1,0,0]=3 32 B7R1.3 C1CNC(=O)CN1 8468 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.3 C1CNCCC1=O 10646 [1,0,0,1,0,0|1,0,0]=3 34 B7R1.3 C1CNCCC1=O 8608 [1,0,0,1,0,0|1,0,0]=3 35 B7R1.3 C1CNCCC1F 9573 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.3 C1CNCCC1O 10611 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.3 C1CNCCC1O 5693 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.3 C1COCCC1=O 9746 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.3 C1COCCC1N 8234 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.3 C1COCCC1N 9213 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.4 C1COC(=O)C1Br 8284 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.4 CC1C(=O)CCO1 10277 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.4 CN1CCCC1=O 5092 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.4 CN1CCCC1=O M0011 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.8 C1CCC(CC1)N=C=S 5699 [0,1,0,1,0,0|0,1,1]=4 46 B9R1.12 C1CCN(C1)CCC#N 5386 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.12 C1CCN(C1)CCCN 5071 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.6 C1CC(CC=C1)C(=O)O 5455 [0,1,0,1,0,0|0,0,2]=4 49 B9R1.6 C1CC(CC=C1)C(=O)O 8425 [0,1,0,1,0,0|0,0,2]=4 50 B9R1.6 C1CC(CNC1)C(=O)O 5653 [0,1,0,1,0,0|1,0,0]=3 51 B9R1.6 C1CCNC(C1)C(=O)O 5668 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.6 C1CCNC(C1)C(=O)O 9852 [0,1,0,1,0,0|1,0,0]=3 53 B9R1.6 C1CNC(CN1)C(=O)O 8992 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.6 C1CNCCC1C(=O)O 5224 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.6 C1CNCCC1C(=O)O 8612 [0,1,0,1,0,0|1,0,0]=3