0 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,0,0,0,0,0|1,0,1]=2 6 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 C1CC(=N)NC1 A2Z00096075 [1,0,0,0,0,0|2,0,0]=3 8 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,0,0,0|1,0,1]=3 9 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,0,0,0|0,0,0]=1 10 B6R1.2 C1CCC(C1)N A2Z00093486 [1,0,0,0,0,0|2,0,1]=4 11 B6R1.2 C1CCC(C1)O A2Z00093488 [1,0,0,0,0,0|1,0,2]=4 12 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,0,0,0|1,0,0]=2 14 B6R1.2 C1CSC(=N1)N A2Z00096171 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [0,1,0,0,0,0|1,0,2]=4 18 B8R1.51 C1CS(=O)(=O)CC1N A2Z00061299 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.51 C1CS(=O)(=O)CC1O A2Z00061321 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.51 CC1(CCC(C1)N)C A2Z00096353 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.51 CC1(CCC(C1)O)C A2Z00050412 [0,1,0,0,0,0|1,0,2]=4 24 B6R0.1 CCC(C)N=C=O A2Z00046535 [0,0,1,0,0,0|1,0,1]=3 25 B6R0.1 CCOC(=O)C#N A2Z00096059 [0,0,1,0,0,0|1,0,1]=3 26 B6R0.1 CCOC(=O)CBr A2Z00093566 [0,0,1,0,0,0|1,0,0]=2 27 B6R0.1 CCOC(=O)NN A2Z00096080 [0,0,1,0,0,0|2,0,0]=3 28 B6R0.1 COC(=O)CCS A2Z00096087 [0,0,1,0,0,0|3,0,0]=4 29 B6R0.2 CC(C)NC(C)C A2Z00095976 [0,0,1,0,0,0|2,0,1]=4 30 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,0,1,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,0,1,0,0,0|2,0,0]=3 32 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.4 CC(C)CN=C=O A2Z00046534 [0,0,1,0,0,0|2,0,1]=4 34 B8R2.38 C1C2C1C(=O)NC2 A2Z00050425 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.3 CC1CCC(CC1)O A2Z00093509 [0,0,0,0,0,1|1,0,2]=4 36 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,0,0,0,0,1|2,0,1]=4 37 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,0,0,0,0,1|1,0,2]=4 38 B8R1.4 CC1CCCC(N1)C A2Z00093508 [0,0,0,0,0,1|2,0,1]=4 39 B8R1.4 CC1CNCC(O1)C A2Z00093443 [0,0,0,0,0,1|1,0,1]=3 40 B8R1.4 CC1COCC(N1)C A2Z00047115 [0,0,0,0,0,1|2,0,1]=4 41 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,0,1,0,0,0|1,0,1]=4 42 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,0,1,0,0,0|2,0,0]=4 43 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,1,0,0,0|2,0,0]=4 44 B5R0.1 CC(C)CCBr A2Z00093551 [1,0,1,0,0,0|2,0,0]=4 45 B5R0.1 CC(CNN)O A2Z00062183 [1,0,1,0,0,0|2,0,0]=4 46 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,1,0,0,0|0,0,0]=2 47 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,1,0,0,0|1,0,0]=3 48 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,1,0,0,0|2,0,0]=4 49 B5R0.2 CCCCCBr A2Z00093550 [1,0,1,0,0,0|1,0,1]=4 50 B5R0.2 CCCCNC A2Z00093457 [1,0,1,0,0,0|2,0,0]=4 51 B5R0.2 CCNCC=C A2Z00070010 [1,0,1,0,0,0|2,0,0]=4 52 B5R0.3 CCN(CC)N A2Z00049169 [1,0,1,0,0,0|2,0,0]=4 53 B5R0.3 COC(=O)C#N A2Z00050483 [1,0,1,0,0,0|1,0,1]=4 54 B5R0.3 COC(=O)C=C A2Z00093487 [1,0,1,0,0,0|0,0,2]=4 55 B5R0.3 COC(=O)CI A2Z00098171 [1,0,1,0,0,0|1,0,0]=3 56 B5R1.1 C1CCNC1 A2Z00093483 [2,0,0,0,0,0|1,0,1]=4 57 B5R1.1 C1COC=C1 A2Z00050496 [2,0,0,0,0,0|0,0,1]=3 58 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,1,1,0,0,0|2,0,0]=4 59 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,1,0,0,0|2,0,0]=4 60 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,1,1,0,0,0|2,0,0]=4 61 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,1,1,0,0,0|2,0,0]=4 62 B7R0.3 COC(=O)CCCCl A2Z00098035 [0,1,1,0,0,0|2,0,0]=4 63 B7R0.3 COCCC(=O)OC A2Z00094834 [0,1,1,0,0,0|2,0,0]=4 64 B7R0.5 CCOC(=O)C(=S)N A2Z00085493 [0,1,1,0,0,0|1,0,1]=4 65 B7R0.5 CCOC(=O)C(C)Br A2Z00093565 [0,1,1,0,0,0|0,0,0]=2 66 B7R0.7 CCNC(=O)CC#N A2Z00038682 [0,1,1,0,0,0|1,0,1]=4 67 B7R0.7 CCNC(=O)OCC A2Z00095021 [0,1,1,0,0,0|0,0,0]=2 68 B7R0.7 CCOC(=N)CC#N A2Z00049592 [0,1,1,0,0,0|1,0,1]=4 69 B7R0.7 CCOC(=O)C[N+]#[C-] A2Z00096279 [0,1,1,0,0,0|0,0,1]=3 70 B7R0.10 CCC(C(=O)OC)Br A2Z00096125 [0,1,1,0,0,0|2,0,0]=4 71 B7R0.10 CCC(C(=O)OC)N A2Z00098004 [0,1,1,0,0,0|2,0,0]=4 72 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,1,1,0,0,0|2,0,0]=4 73 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,1,1,0,0,0|2,0,0]=4 74 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [0,1,1,0,0,0|0,0,0]=2 75 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [0,1,1,0,0,0|1,0,0]=3 76 B7R0.4 C=CCSCC(=O)O A2Z00097871 [0,1,1,0,0,0|0,0,2]=4 77 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,1,1,0,0,0|1,0,1]=4 78 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,1,1,0,0,0|2,0,0]=4 79 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,1,1,0,0,0|2,0,0]=4 80 B7R0.4 CC(C)CCN=C=O A2Z00046539 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.4 CSCCCC(=O)O A2Z00070144 [0,1,1,0,0,0|0,0,0]=2 82 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,1,1,0,0,0|2,0,0]=4 83 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,1,1,0,0,0|1,0,0]=3 84 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,1,1,0,0,0|1,0,0]=3 85 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [0,1,1,0,0,0|1,0,1]=4 86 B7R1.1 C1CC(OC1)CCl A2Z00093513 [1,1,0,0,0,0|0,0,1]=3 87 B7R1.1 C1CC(OC1)CN A2Z00093497 [1,1,0,0,0,0|0,0,1]=3 88 B7R1.1 C1CC(OC1)CO A2Z00093498 [1,1,0,0,0,0|0,0,1]=3 89 B7R1.1 C1CCC(C1)CN A2Z00046187 [1,1,0,0,0,0|1,0,1]=4 90 B7R1.1 CCC1CCCN1 A2Z00094741 [1,1,0,0,0,0|1,0,1]=4 91 B7R1.1 COC1CCNC1 A2Z00074154 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.10 CC1(COS(=O)OC1)C A2Z00096646 [0,1,0,0,0,1|2,0,0]=4 93 B9R1.10 CC1(OCC(=O)CO1)C A2Z00096283 [0,1,0,0,0,1|1,0,0]=3 94 B9R1.66 CC1(COCC(=O)N1)C A2Z00046113 [0,1,0,0,0,1|1,0,0]=3 95 B9R1.125 CC1(CC(=O)NC1)CO A2Z00050495 [0,2,0,0,0,0|2,0,0]=4 96 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,0,1,1,0,0|2,0,0]=4 97 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,0,1,1,0,0|1,0,1]=4 98 B7R1.3 C1COCCC1=O A2Z00096060 [0,0,1,1,0,0|2,0,0]=4 99 B7R1.3 C1CSCCC1=O A2Z00050190 [0,0,1,1,0,0|2,0,0]=4 100 B7R1.6 C1CC(C1)N=C=O A2Z00049542 [0,0,1,1,0,0|1,0,1]=4 101 B7R2.13 C1C2C1CNC2 A2Z00050358 [1,0,0,1,0,0|2,0,0]=4 102 B9R2.139 C1CC2(CC2)NC1=O A2Z00050478 [0,1,0,1,0,0|1,0,0]=3 103 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,0,1,0,1,0|2,0,0]=4 104 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,0,1,0,1,0|1,0,0]=3 105 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,0,1,0,1,0|2,0,0]=4 106 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,0,1,0,1,0|2,0,0]=4 107 B5R1.2 C1C(=O)CO1 A2Z00096164 [1,0,0,0,1,0|1,0,0]=3