0 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 COC(=O)CCCCl A2Z00098035 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 COC(=O)CNC=O A2Z00096713 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 COCCC(=O)OC A2Z00094834 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCN(C)CCO A2Z00049387 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCOC(=O)C#N A2Z00096059 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCOC(=O)CBr A2Z00093566 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCOC(=O)NN A2Z00096080 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CNC(=O)CON A2Z00070422 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 COC(=O)CCS A2Z00096087 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 CC(=O)OCC#C A2Z00096305 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CCCNC(C)C A2Z00048056 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CN(C)CCCCl A2Z00093595 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 CCCCCCBr A2Z00093564 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.6 CCCCCCI A2Z00093584 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.6 CCCCCCO A2Z00093499 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 COCCCCN A2Z00047139 [1,0,0,0,0,0|2,0,1]=4 22 B8R0.1 CCOC(=O)CCC#N A2Z00095965 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.1 CCOC(=O)CCCBr A2Z00093577 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.1 CCOC(=O)CN=[N+]=[N-] A2Z00096064 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.6 COC(=O)CCN=[N+]=[N-] A2Z00096043 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.8 CC(C(=O)NCCO)Cl A2Z00094592 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.2 CCC1CCCCN1 A2Z00093507 [0,0,0,1,0,0|1,0,1]=3 35 B8R1.3 CC1CCC(CC1)O A2Z00093509 [0,0,0,1,0,0|0,0,2]=3 36 B8R1.5 CC1CCCCC1=O A2Z00038642 [0,0,0,1,0,0|0,0,0]=1 37 B8R1.10 C1CN(C1)CCCN A2Z00062410 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.22 CC1CCCNCC1 A2Z00096454 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.40 C1CC1NC(=O)CN A2Z00044968 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.52 C1CCC(C1)(CN)O A2Z00045043 [0,0,0,1,0,0|1,0,2]=4 42 B5R0.1 C(CBr)C(=O)N A2Z00070352 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CC(=O)CCN A2Z00069826 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.1 CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 COCC(=O)Cl A2Z00094312 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.2 C(CCN)CN A2Z00070215 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.2 CCCCCBr A2Z00093550 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.2 CCCCNC A2Z00093457 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.2 CCNCC=C A2Z00070010 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.3 CCN(CC)N A2Z00049169 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 COC(=O)CI A2Z00098171 [2,0,0,0,0,0|2,0,0]=4 53 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.7 CCNC(=O)CC#N A2Z00038682 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.7 CCNC(=O)OCC A2Z00095021 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.7 CCOC(=O)C[N+]#[C-] A2Z00096279 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [1,1,0,0,0,0|1,0,0]=3 60 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [1,1,0,0,0,0|1,0,0]=3 61 B7R0.10 COC(=O)C(CO)N A2Z00085507 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.10 COC(=O)C(CS)N A2Z00096121 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.4 CC(=O)CCCC#N A2Z00097349 [1,1,0,0,0,0|0,0,1]=3 66 B7R0.4 CC(=O)NCCC#N A2Z00061540 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.4 CC(=O)NCCCN A2Z00047088 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 CC(=O)NCCCO A2Z00061529 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.4 CC(=O)NCCON A2Z00048058 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.4 CC(C)CCCCN A2Z00049525 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.4 CC(C)CCCNC A2Z00049564 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.1 C(CCCO)CCN A2Z00096548 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.1 C(CNCCO)CO A2Z00094835 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.5 COCCNC(=O)CC#N A2Z00080212 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.34 CCOC(=O)CC(=O)CCl A2Z00093563 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.34 CCOC(=O)CC(CCl)O A2Z00096161 [0,2,0,0,0,0|1,0,0]=3 82 B9R0.27 CCC(=O)C(C(=O)OC)Cl A2Z00038662 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.1 C(CC(=O)CN)CC(=O)O A2Z00050332 [0,2,0,0,0,0|1,0,1]=4 84 B9R0.1 COC(=O)CCCC(=O)Cl A2Z00094387 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.1 COC(=O)CCC[N+](=O)[O-] A2Z00096316 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.24 COC(=O)CCC(=O)CBr A2Z00049450 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.24 COC(=O)CCC(=O)CN A2Z00096232 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.47 CC(C(=O)NCCCO)Cl A2Z00094388 [0,2,0,0,0,0|1,0,0]=3 89 B9R0.50 CCN(CC)CCCCN A2Z00061147 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.3 CC(C)(C(=O)NCCO)Br A2Z00048274 [0,2,0,0,0,0|2,0,0]=4 91 B9R0.42 CC(=O)C(CC(=O)OC)Br A2Z00094754 [0,2,0,0,0,0|1,0,1]=4 92 B9R0.42 CCC(=O)CC(C(=O)O)N A2Z00096363 [0,2,0,0,0,0|1,0,1]=4 93 B7R1.1 CCC1CCCN1 A2Z00094741 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.2 C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [1,0,0,1,0,0|0,0,2]=4 96 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [1,0,0,1,0,0|0,0,2]=4 99 B7R1.3 C1CCC(CC1)N A2Z00093495 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.3 C1COCCC1=O A2Z00096060 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.3 C1CSCCC1=O A2Z00050190 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.24 C1CCCNCC1 A2Z00093493 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.8 C1CCN(CC1)CCCl A2Z00049389 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.11 C1CCN(C1)C(=O)CCl A2Z00046081 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.11 COC(=O)C1CCCN1 A2Z00096650 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.11 COC(=O)C1CCNC1 A2Z00096294 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.88 COC(=O)C1CC1CN A2Z00096461 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.88 COC(=O)[C@@H]1C[C@@H]1CN A2Z00096361 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.1 CNC1CCN(CC1)C A2Z00093528 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.79 COC(=O)CC1COC1 A2Z00096410 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.40 CC1(C(=O)OCCN1)C A2Z00044907 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.10 CC1(OCC(=O)CO1)C A2Z00096283 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.125 CC1(CC(=O)NC1)CO A2Z00050495 [0,1,0,1,0,0|2,0,0]=4 114 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [0,0,0,2,0,0|1,0,0]=3