0 B5R0.1 C(C#N)C(=O)N A2Z00096074 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(C#N)C(=O)O A2Z00093469 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C(CBr)C(=O)N A2Z00070352 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(=O)CCN A2Z00069826 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(C)CCBr A2Z00093551 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CCCC(=O)O A2Z00093490 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CN(C)CCCl A2Z00093594 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 CNCC(=O)O A2Z00095987 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 COCC(=O)Cl A2Z00094312 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CSCC(=N)N A2Z00074300 [0,0,0,0,0,0|4,0,0]=4 10 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(=O)CO A2Z00094832 [1,0,0,0,0,0|1,0,0]=2 12 B4R0.1 CC(C)CBr A2Z00038648 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CCC(=O)N A2Z00097941 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 COC(=O)Cl A2Z00093492 [1,0,0,0,0,0|1,1,0]=3 15 B4R0.1 C[C@@H](CO)N A2Z00045067 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CCCCBr A2Z00093542 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 CCCCN A2Z00093484 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.2 CNCCCl A2Z00094137 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,1,0,0,0,0|0,1,1]=3 20 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,1,0,0,0,0|0,1,0]=2 21 B6R0.1 CCOC(=O)NN A2Z00096080 [0,1,0,0,0,0|1,1,0]=3 22 B6R0.1 CNC(=O)CON A2Z00070422 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 COC(=O)CCS A2Z00096087 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,1,0,0,0,0|0,1,1]=3 32 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,1,0,0,0,0|0,1,0]=2 33 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,1,0,0,0,0|1,0,1]=3 34 B6R0.4 CC(C)OCCN A2Z00047141 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.4 CCCNC(C)C A2Z00048056 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.4 CN(C)CCCCl A2Z00093595 [0,1,0,0,0,0|3,0,0]=4 37 B6R0.5 CCNS(=O)(=O)Cl A2Z00048834 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.5 CS(=O)(=O)CCN A2Z00048059 [0,1,0,0,0,0|3,0,0]=4 39 B6R1.2 C1CC(=N)NC1 A2Z00096075 [0,0,0,1,0,0|2,0,0]=3 40 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,1,0,0|1,0,1]=3 41 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,0,0,1,0,0|0,1,0]=2 42 B6R1.2 C1CCC(C1)N A2Z00093486 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 C1CCC(C1)O A2Z00093488 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,0,0,1,0,0|1,1,0]=3 46 B6R1.2 C1CSC(=N1)N A2Z00096171 [0,0,0,1,0,0|2,0,0]=3 47 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [0,0,0,1,0,0|2,0,0]=3 48 B3R0.1 C(=O)NN A2Z00049575 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.1 CCCBr A2Z00093521 [2,0,0,0,0,0|1,0,1]=4 51 B3R0.1 CCCN A2Z00093482 [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.2 CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.3 CCN(CC)N A2Z00049169 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.3 COC(=O)C#N A2Z00050483 [1,1,0,0,0,0|0,1,1]=4 58 B5R0.3 COC(=O)C=C A2Z00093487 [1,1,0,0,0,0|0,0,2]=4 59 B5R0.3 COC(=O)CI A2Z00098171 [1,1,0,0,0,0|0,1,0]=3 60 B5R0.4 CCS(=O)(=O)C A2Z00068674 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.4 CCS(=O)(=O)N A2Z00094833 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|0,0,0]=2 64 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.2 CCCCCBr A2Z00093550 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.2 CCCCNC A2Z00093457 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.2 CCNCC=C A2Z00070010 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.2 COCN=C=O A2Z00048845 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,2,0,0,0,0|1,0,0]=3 72 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,2,0,0,0,0|1,0,0]=3 73 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.3 COC(=O)CCCCl A2Z00098035 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.3 COCCC(=O)OC A2Z00094834 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.5 CCOC(=O)C(=S)N A2Z00085493 [0,2,0,0,0,0|0,1,1]=4 78 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [0,2,0,0,0,0|0,1,0]=3 79 B7R0.7 CCNC(=O)CC#N A2Z00038682 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.7 CCNC(=O)OCC A2Z00095021 [0,2,0,0,0,0|0,1,0]=3 81 B7R0.7 CCOC(=N)CC#N A2Z00049592 [0,2,0,0,0,0|1,1,0]=4 82 B7R0.7 CCOC(=O)C[N+]#[C-] A2Z00096279 [0,2,0,0,0,0|0,1,0]=3 83 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [0,2,0,0,0,0|1,0,0]=3 85 B7R0.10 COC(=O)C(CO)N A2Z00085507 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.10 COC(=O)C(CS)N A2Z00096121 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,2,0,0,0,0|2,0,0]=4 89 B7R0.15 CCN(CC)C(=O)Cl A2Z00096009 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.4 C=CCSCC(=O)O A2Z00097871 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.4 CC(=O)NCCC#N A2Z00061540 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,2,0,0,0,0|1,0,0]=3 97 B7R0.4 CC(=O)NCCON A2Z00048058 [0,2,0,0,0,0|1,0,0]=3 98 B7R0.4 CSCCCC(=O)O A2Z00070144 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,2,0,0,0,0|1,0,1]=4 100 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,2,0,0,0,0|1,1,0]=4 101 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.8 CS(=O)(=O)NCCCl A2Z00047994 [0,2,0,0,0,0|2,0,0]=4 104 B5R1.2 C1C(=O)CO1 A2Z00096164 [1,0,0,1,0,0|1,0,0]=3 105 B5R1.1 C1CCNC1 A2Z00093483 [1,0,0,1,0,0|1,0,1]=4 106 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|0,1,1]=4 107 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,1,0,1,0,0|1,0,1]=4 108 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,1,0,0|0,1,0]=3 109 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,1,0,1,0,0|0,1,0]=3 111 B7R1.2 Cc1nnc(s1)C A2Z00095539 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.3 C1COCCC1=O A2Z00096060 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.3 C1CSCCC1=O A2Z00050190 [0,1,0,1,0,0|1,0,0]=3