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|3,0,1]=4 2 B6R0.6 C(CCO)CCBr 9446 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.6 C(CO)NCCO 10566 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.6 C(COCCCl)O 5879 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 C=CCCCCBr 5037 [0,0,0,0,0,0|3,0,1]=4 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|4,0,0]=4 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|3,0,0]=4 10 B7R0.1 C(CCCBr)CCCl 5780 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.1 C(CCCCl)CCO 5053 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.1 C(CCCO)CCN 8387 [0,1,0,0,0,0|2,0,0]=3 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|3,0,0]=4 15 B7R1.1 C1CCC(C1)CO 8627 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.3 C1CC(CNC1)O 10421 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.3 C1CCC(CC1)F 8957 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.3 C1CNC(=O)CN1 8468 [0,0,0,1,0,0|1,0,2]=4 19 B7R1.3 C1CNCCC1O 10611 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.3 C1CNCCC1O 5693 [0,0,0,1,0,0|3,0,0]=4 21 B4R0.2 C#CCCO 9231 [2,0,0,0,0,0|0,0,2]=4 22 B4R0.2 C(CN)CBr 9620 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.2 C(CO)CBr 8105 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.2 C(CO)CI 8013 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.2 COCCBr 5599 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 C(CC(=O)O)CN 6222 [1,1,0,0,0,0|1,0,1]=4 27 B6R1.1 C1CC=COC1 6859 [1,0,0,1,0,0|1,0,1]=4 28 B6R1.1 C1CSCCN1 6569 [1,0,0,1,0,0|0,1,0]=3 29 B6R1.2 C1CC(=O)OC1 8838 [1,0,0,1,0,0|0,0,2]=4 30 B6R1.2 C1CCC(C1)Br 6579 [1,0,0,1,0,0|2,0,0]=4 31 B6R1.2 C1COCC1O 5705 [1,0,0,1,0,0|1,0,0]=3 32 B6R1.2 C1COCC1O 6234 [1,0,0,1,0,0|1,0,0]=3 33 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [1,0,0,1,0,0|0,0,1]=3 34 B6R1.6 C1CC(C1)CO 8690 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.2 C1CCNC(C1)CO 6795 [0,1,0,1,0,0|1,0,0]=3 36 B8R1.2 C1CCOC(C1)ON 10111 [0,1,0,1,0,0|1,0,0]=3 37 B8R1.2 C1CNCCC1CO 10405 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.1 C1CC(=O)N[C@@H]1CO 10499 [0,1,0,1,0,0|1,0,1]=4 39 B8R1.1 C1CC(=O)N[C@H]1CO 9353 [0,1,0,1,0,0|1,0,1]=4 40 B8R1.3 C1C(SCC(S1)O)O 6583 [0,1,0,1,0,0|1,1,0]=4 41 B8R1.3 C1[C@@H](CC[C@H](C1)O)N 5467 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.7 C1CC(NC1)C(=O)O 9203 [0,1,0,1,0,0|1,0,1]=4 43 B8R1.7 C1CSC(N1)C(=O)O 9309 [0,1,0,1,0,0|0,1,1]=4