0 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.2 CC(CN(C)C)CO A2Z00097647 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 CCC(C)N=C=O A2Z00046535 [1,0,0,0,0,0|1,0,1]=3 6 B6R0.1 CCN(C)CCO A2Z00049387 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.2 CC(C(C(=O)O)Br)OC A2Z00049624 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,1,0,0,0,0|0,0,2]=3 13 B8R0.16 C(C(CN)CO)C(=O)O A2Z00050494 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.16 CC(=O)CC(OC)OC A2Z00096091 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.16 CCN(CC)CC(=O)N A2Z00038591 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.51 C1CS(=O)(=O)CC1N A2Z00061299 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.51 C1CS(=O)(=O)CC1O A2Z00061321 [0,0,0,1,0,0|2,0,1]=4 27 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,0,0,0,1,0|2,0,0]=3 29 B6R0.3 CC(CO)[N+](=O)[O-] A2Z00048273 [0,0,0,0,1,0|2,0,1]=4 30 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,0,0,0,0,1|2,0,1]=4 31 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,0,0,0,0,1|1,0,1]=3 32 B5R0.1 C(C#N)C(=O)O A2Z00093469 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(C)CCBr A2Z00093551 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(C)C[N+]#[C-] A2Z00050390 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|0,0,0]=2 38 B5R0.1 CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 COCC(=O)Cl A2Z00094312 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 CCCCCBr A2Z00093550 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.2 CCCCNC A2Z00093457 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.2 CCNCC=C A2Z00070010 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.3 CC(CO)NCCO A2Z00049562 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [1,1,0,0,0,0|0,0,1]=3 46 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [1,1,0,0,0,0|0,0,0]=2 47 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.4 C=CCSCC(=O)O A2Z00097871 [1,1,0,0,0,0|0,0,2]=4 49 B7R0.4 CC(=O)CCCC#N A2Z00097349 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.4 CC(=O)NCCCN A2Z00047088 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.4 CC(=O)NCCCO A2Z00061529 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,1,0,0,0,0|0,0,0]=2 53 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.13 CC(C)(CN)C(=O)N A2Z00094796 [0,1,0,0,1,0|2,0,0]=4 58 B7R0.15 CCN(CC)C(=O)Cl A2Z00096009 [0,1,0,0,1,0|2,0,0]=4 59 B9R0.42 CCC(=O)CC(C(=O)O)N A2Z00096363 [0,1,0,0,0,1|1,0,1]=4 60 B9R0.43 CC(=O)NCC(OC)OC A2Z00094393 [0,1,0,0,0,1|2,0,0]=4 61 B9R0.27 CCC(=O)C(C(=O)OC)Cl A2Z00038662 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.79 CC(C(C(=O)O)O)C(=O)O A2Z00049599 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.34 CCOC(=O)CC(CCl)O A2Z00096161 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.53 CC(C)CC(CC(=O)O)O A2Z00049177 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.58 CCCC(C)(CC(=O)O)O A2Z00049563 [0,2,0,0,0,0|0,0,0]=2 66 B9R0.39 C(C(CN)C(=O)O)C(=O)O A2Z00096527 [0,2,0,0,0,0|1,0,1]=4 67 B9R0.63 CC(CC(=O)O)(CN)CO A2Z00096529 [0,2,0,0,0,0|1,0,0]=3 68 B7R1.2 C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,0,0,1,0,0|0,0,2]=4 70 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 CC1CCCNC1 A2Z00093496 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 CC1CCNCC1 A2Z00093494 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.6 C1CC(C1)N=C=O A2Z00049542 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.125 CC1(CC(=O)NC1)CO A2Z00050495 [0,0,0,1,0,1|2,0,0]=4 75 B9R1.13 C1COC(O1)CC(=O)O A2Z00096436 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.171 C1C(CO1)(CC(=O)N)N A2Z00096374 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.79 COC(=O)CC1COC1 A2Z00096410 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.88 COC(=O)C1CC1CN A2Z00096461 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN A2Z00096361 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.161 C1[C@@H]([C@H]1C(=O)O)C(=O)O A2Z00096513 [0,1,0,1,0,0|1,0,1]=4 81 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [0,0,0,2,0,0|2,0,0]=4 82 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,0,0,0,1,0|2,0,0]=4 83 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,0,0,0,1,0|2,0,0]=4 84 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,0,0,0,1,0|2,0,0]=4