0 B6R1.2 C1CC(=O)C=C1 9804 [0,0,0,0,0,0|0,1,3]=4 1 B6R1.2 C1CC(=O)NC1 P0006 [0,0,0,0,0,0|1,1,1]=3 2 B6R1.2 C1CC(=O)OC1 8838 [0,0,0,0,0,0|1,1,1]=3 3 B6R1.2 C1CCC(=O)C1 9600 [0,0,0,0,0,0|0,1,1]=2 4 B6R1.2 C1CCC(C1)Br 6579 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 C1CNC(=O)N1 6785 [0,0,0,0,0,0|2,1,1]=4 6 B6R1.2 C1COCC1O 5705 [0,0,0,0,0,0|1,1,0]=2 7 B6R1.2 C1COCC1O 6234 [0,0,0,0,0,0|1,1,0]=2 8 B6R1.2 C1C[NH2+]C[C@H]1O 10482 [0,0,0,0,0,0|1,1,0]=2 9 B5R1.1 C1CCOC1 5749 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.1 C1CCC(C1)CO 8627 [0,1,0,0,0,0|0,1,0]=2 11 B7R1.2 C1CC(=O)CC1=O 5093 [0,1,0,0,0,0|0,1,2]=4 12 B7R1.4 C1COC(=O)C1Br 8284 [0,1,0,0,0,0|1,1,1]=4 13 B7R1.4 CC1C(=O)CCO1 10277 [0,1,0,0,0,0|1,1,1]=4 14 B7R1.4 CN1CCCC1=O 5092 [0,1,0,0,0,0|1,1,1]=4 15 B7R1.4 CN1CCCC1=O M0011 [0,1,0,0,0,0|1,1,1]=4 16 B5R0.1 CN(C)CCCl 5994 [0,0,1,0,0,0|3,0,0]=4 17 B5R0.2 C(CCN)CN 8513 [0,0,1,0,0,0|2,0,0]=3 18 B5R0.2 COCCCBr 9602 [0,0,1,0,0,0|2,0,0]=3 19 B5R0.3 C(C(CCl)O)Cl 10131 [0,0,1,0,0,0|2,1,0]=4 20 B5R0.3 C(C(CF)O)F 9295 [0,0,1,0,0,0|2,1,0]=4 21 B5R0.3 C(C(CO)N)O 6680 [0,0,1,0,0,0|3,0,0]=4 22 B5R0.3 C([C@H](CCl)O)O 10506 [0,0,1,0,0,0|2,1,0]=4 23 B5R1.2 C1C(CN1)O 5077 [0,0,0,0,1,0|1,1,0]=3 24 B5R1.2 C1CC(=O)C1 5717 [0,0,0,0,1,0|0,1,1]=3 25 B7R1.3 C1CC(CNC1)O 10421 [0,0,0,0,0,1|0,1,0]=2 26 B7R1.3 C1CC=CC(C1)Br 8970 [0,0,0,0,0,1|1,0,1]=3 27 B7R1.3 C1CCC(=O)CC1 5327 [0,0,0,0,0,1|0,1,1]=3 28 B7R1.3 C1CCC(CC1)F 8957 [0,0,0,0,0,1|1,0,0]=2 29 B7R1.3 C1CNC(=O)CN1 8468 [0,0,0,0,0,1|1,1,1]=4 30 B7R1.3 C1CNCCC1=O 10646 [0,0,0,0,0,1|0,1,1]=3 31 B7R1.3 C1CNCCC1=O 8608 [0,0,0,0,0,1|0,1,1]=3 32 B7R1.3 C1CNCCC1F 9573 [0,0,0,0,0,1|1,0,0]=2 33 B7R1.3 C1CNCCC1O 10611 [0,0,0,0,0,1|0,1,0]=2 34 B7R1.3 C1CNCCC1O 5693 [0,0,0,0,0,1|0,1,0]=2 35 B7R1.3 C1COCCC1=O 9746 [0,0,0,0,0,1|0,1,1]=3 36 B7R1.3 C1COCCC1N 8234 [0,0,0,0,0,1|1,0,0]=2 37 B7R1.3 C1COCCC1N 9213 [0,0,0,0,0,1|1,0,0]=2 38 B7R1.3 CN1CCNCC1 9747 [0,0,0,0,0,1|2,0,0]=3 39 B7R1.3 CN1CCNCC1 M0081 [0,0,0,0,0,1|2,0,0]=3 40 B4R0.1 CC(CO)N 6831 [1,0,1,0,0,0|2,0,0]=4 41 B4R0.1 C[C@H](CO)N 5724 [1,0,1,0,0,0|2,0,0]=4 42 B4R0.2 C(CN)CBr 9620 [1,0,1,0,0,0|2,0,0]=4 43 B4R0.2 C(CO)CBr 8105 [1,0,1,0,0,0|1,1,0]=4 44 B4R0.2 C(CO)CI 8013 [1,0,1,0,0,0|1,1,0]=4 45 B4R0.2 COCCBr 5599 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.4 CCCCC(=O)C 9447 [0,1,1,0,0,0|0,1,1]=4 47 B6R0.4 CN(C)CCCCl 5846 [0,1,1,0,0,0|2,0,0]=4 48 B6R0.6 C(CBr)OCCBr 6238 [0,1,1,0,0,0|2,0,0]=4 49 B6R0.6 C(CCBr)CC#N 8151 [0,1,1,0,0,0|1,0,1]=4 50 B6R0.6 C(CCO)CCBr 9446 [0,1,1,0,0,0|0,1,0]=3 51 B6R0.6 C(CO)NCCO 10566 [0,1,1,0,0,0|1,1,0]=4 52 B6R0.6 C(COCCCl)O 5879 [0,1,1,0,0,0|1,1,0]=4 53 B6R0.6 C=CCCCCBr 5037 [0,1,1,0,0,0|1,0,1]=4 54 B6R0.6 CCCNCCC 9551 [0,1,1,0,0,0|1,0,0]=3 55 B6R0.6 COCCCCBr 8517 [0,1,1,0,0,0|1,0,0]=3 56 B6R0.9 CCN(CC)CC 5152 [0,1,1,0,0,0|2,0,0]=4 57 B6R1.6 C1CC(C1)CO 8690 [0,1,0,0,1,0|0,1,0]=3 58 B8R1.2 C1CCNC(C1)CO 6795 [0,1,0,0,0,1|0,1,0]=3 59 B8R1.2 C1CCOC(C1)ON 10111 [0,1,0,0,0,1|0,1,0]=3 60 B8R1.2 C1CNCCC1CO 10405 [0,1,0,0,0,1|0,1,0]=3 61 B8R1.2 C1COCCC1CN 6624 [0,1,0,0,0,1|1,0,0]=3 62 B8R1.3 C1C(SCC(S1)O)O 6583 [0,1,0,0,0,1|1,1,0]=4 63 B8R1.3 C1CC(=O)CCC1O 10634 [0,1,0,0,0,1|0,1,0]=3 64 B8R1.3 C1[C@@H](CC[C@H](C1)O)N 5467 [0,1,0,0,0,1|0,1,0]=3 65 B8R1.3 CN1CCC(=O)CC1 6766 [0,1,0,0,0,1|0,1,1]=4 66 B8R1.3 CN1CCC(=O)CC1 M0015 [0,1,0,0,0,1|0,1,1]=4 67 B8R1.3 CN1CCC(CC1)Cl 6673 [0,1,0,0,0,1|1,0,0]=3 68 B8R1.3 CN1CCC(CC1)O 5494 [0,1,0,0,0,1|0,1,0]=3 69 B8R1.4 C1CC(=O)CC(=O)C1 10153 [0,1,0,0,0,1|0,1,1]=4 70 B8R1.4 CC1CCCC(N1)C 10243 [0,1,0,0,0,1|1,0,0]=3 71 B8R1.5 C1CC[C@H]([C@@H](C1)N)N 8637 [0,1,0,0,0,1|1,0,0]=3 72 B8R1.72 C1CNCCC1(F)F 9270 [0,1,0,0,0,1|1,0,0]=3 73 B8R1.7 C1CC(NC1)C(=O)O 9203 [0,2,0,0,0,0|1,1,0]=4 74 B8R1.7 C1CCC(C1)C(=O)O 8636 [0,2,0,0,0,0|0,1,0]=3 75 B8R1.7 C1COCC1C(=O)O 8251 [0,2,0,0,0,0|1,1,0]=4 76 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] 9557 [0,2,0,0,0,0|1,1,0]=4 77 B6R1.1 C1CSCCN1 6569 [0,0,1,1,0,0|1,0,0]=3 78 B6R1.1 C1CSCSC1 6870 [0,0,1,1,0,0|1,0,0]=3 79 B4R1.1 C1CNC1 9575 [1,0,0,0,1,0|1,0,0]=3 80 B4R1.2 C1CC1N 6164 [0,0,0,0,2,0|1,0,0]=3