0 B5R0.1 C(C#N)C(=O)N A2Z00096074 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C(C#N)C(=O)O A2Z00093469 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(CBr)C(=O)N A2Z00070352 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(=O)CCN A2Z00069826 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CCCC(=O)O A2Z00093490 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 CNCC(=O)O A2Z00095987 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 COCC(=O)Cl A2Z00094312 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CSCC(=N)N A2Z00074300 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(=O)CO A2Z00094832 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 CCC(=O)N A2Z00097941 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 COC(=O)Cl A2Z00093492 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.1 CCOC(=O)NN A2Z00096080 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 CNC(=O)CON A2Z00070422 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 COC(=O)CCS A2Z00096087 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.2 CC(=C[N+](=O)[O-])C A2Z00094964 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.2 C\C(=C\[N+](=O)[O-])\[O-] A2Z00050356 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.3 CC(C(=O)NC)N A2Z00049855 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.3 COC(=O)C(=N)N A2Z00096235 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,1,0,0,0,0|1,0,2]=4 25 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,1,0,0,0,0|0,0,2]=3 26 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,1,0,0,0,0|0,0,3]=4 27 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,1,0,0,0,0|0,0,0]=1 29 B6R0.5 CS(=O)(=O)CC=C A2Z00069959 [0,1,0,0,0,0|1,0,2]=4 30 B6R1.2 C1CC(=N)NC1 A2Z00096075 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [0,0,0,1,0,0|0,0,0]=1 32 B6R1.2 C1CC(=O)OC1 A2Z00038638 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.2 C1CNCC1=O A2Z00050357 [0,0,0,1,0,0|1,0,1]=3 34 B6R1.2 C1COC(=O)N1 A2Z00096076 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 Cc1cscn1 A2Z00097343 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.2 c1c[nH]nc1N A2Z00096057 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 c1cn[nH]c1N A2Z00050166 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [0,0,0,1,0,0|1,0,2]=4 39 B3R0.1 C(=O)NN A2Z00049575 [2,0,0,0,0,0|2,0,0]=4 40 B3R0.1 C=CCBr A2Z00093514 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.2 CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,1]=4 43 B3R0.2 CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 C(C(=O)C=O)O A2Z00050060 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.3 COC(=O)C#N A2Z00050483 [1,1,0,0,0,0|1,0,1]=4 46 B5R0.3 COC(=O)C=C A2Z00093487 [1,1,0,0,0,0|0,0,0]=2 47 B5R0.3 COC(=O)CI A2Z00098171 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.4 CCS(=O)(=O)C A2Z00068674 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.5 CC(=O)N(C)N A2Z00094878 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [1,1,0,0,0,0|0,0,1]=3 51 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,2,0,0,0,0|0,0,1]=3 54 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,2,0,0,0,0|1,0,1]=4 55 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,2,0,0,0,0|1,0,1]=4 56 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,2,0,0,0,0|1,0,1]=4 57 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,2,0,0,0,0|0,0,2]=4 58 B7R0.3 COC(=O)CCCCl A2Z00098035 [0,2,0,0,0,0|0,0,2]=4 59 B7R0.3 COC(=O)CNC=O A2Z00096713 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.3 COCCC(=O)OC A2Z00094834 [0,2,0,0,0,0|0,0,2]=4 61 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [0,2,0,0,0,0|1,0,1]=4 62 B7R0.7 CCNC(=O)CC#N A2Z00038682 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.7 CCNC(=O)OCC A2Z00095021 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.7 CCOC(=O)C[N+]#[C-] A2Z00096279 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [0,2,0,0,0,0|0,0,2]=4 67 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,2,0,0,0,0|0,0,2]=4 69 B7R0.4 CC(=O)NCCC#N A2Z00061540 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.4 CC(=O)NCCON A2Z00048058 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,2,0,0,0,0|0,0,0]=2 74 B7R0.6 CN(C)\C=C\C(=S)N A2Z00057018 [0,2,0,0,0,0|1,1,0]=4 75 B7R0.6 CN(C)\C=C\[N+](=O)[O-] A2Z00096569 [0,2,0,0,0,0|2,0,0]=4 76 B5R1.2 C1C(=O)CO1 A2Z00096164 [1,0,0,1,0,0|1,0,1]=4 77 B5R1.1 C1COC=C1 A2Z00050496 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.1 c1c[nH]nc1CO A2Z00038634 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [0,1,0,1,0,0|1,0,1]=4 80 B7R1.1 c1cnoc1CO A2Z00096001 [0,1,0,1,0,0|1,0,1]=4 81 B7R1.1 c1cscc1C=O A2Z00050189 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,1,0,1,0,0|0,0,0]=2 88 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.2 Cc1cc([nH]n1)N A2Z00061676 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.2 Cc1cc(n[nH]1)N A2Z00050172 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.2 Cc1cc(no1)N A2Z00085614 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.2 Cc1cc(on1)N A2Z00095967 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [0,1,0,1,0,0|1,0,1]=4 95 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [0,1,0,1,0,0|1,0,1]=4 96 B7R1.2 Cc1csc(n1)N A2Z00097948 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.2 Cc1csc(n1)O A2Z00096157 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.2 Cc1nnc(s1)C A2Z00095539 [0,1,0,1,0,0|1,1,0]=4 99 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.3 C1C(=O)NC=CS1 A2Z00069307 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,1,0,1,0,0|0,0,0]=2 103 B7R1.3 C1COCCC1=O A2Z00096060 [0,1,0,1,0,0|0,0,2]=4 104 B7R1.3 C1CSCCC1=O A2Z00050190 [0,1,0,1,0,0|0,0,2]=4 105 B7R1.3 c1cc[nH]c(=O)c1 A2Z00070061 [0,1,0,1,0,0|0,0,2]=4 106 B7R1.4 Cn1c(ccn1)N A2Z00050456 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 Cn1c(ccn1)N A2Z00096015 [0,1,0,1,0,0|2,0,0]=4