0 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.4 CC(=O)CCCCl A2Z00094593 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.4 CC(=O)OCC#C A2Z00096305 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 CC(C)OCCN A2Z00047141 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.4 CCCNC(C)C A2Z00048056 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.4 CN(C)CCCCl A2Z00093595 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 C(C#N)C(=O)N A2Z00096074 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 CC(C)CCBr A2Z00093551 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 CN(C)CCCl A2Z00093594 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CSCC(=N)N A2Z00074300 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.2 CCCCCBr A2Z00093550 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CCCCNC A2Z00093457 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.2 CCNCC=C A2Z00070010 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 COCN=C=O A2Z00048845 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.3 COC(=O)CCCCl A2Z00098035 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.3 COCCC(=O)OC A2Z00094834 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [0,1,0,0,0,0|2,1,0]=4 31 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.4 CC(=O)NCCC#N A2Z00061540 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.4 CC(=O)NCCON A2Z00048058 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.4 CC(C)CCCCN A2Z00049525 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.4 CC(C)CCCNC A2Z00049564 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 CSCCCC(=O)O A2Z00070144 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,1,0,0,0,0|3,0,0]=4 43 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.8 CCCNS(=O)(=O)Cl A2Z00048835 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.8 CS(=O)(=O)NCCCl A2Z00047994 [0,1,0,0,0,0|3,0,0]=4 46 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,0,0,1,0,0|1,0,1]=3 51 B7R1.3 C1CCC(CC1)N A2Z00093495 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.3 C1COCCC1=O A2Z00096060 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 C1CSCCC1=O A2Z00050190 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.3 CC1CNCCO1 A2Z00047116 [0,0,0,1,0,0|2,0,1]=4 55 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,0,0]=3 57 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,0]=3 58 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.2 C(CON)O A2Z00048270 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 CCCCBr A2Z00093542 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.2 CCCCN A2Z00093484 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CNCCCl A2Z00094137 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 COCON A2Z00070421 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CCOC(=O)C#N A2Z00096059 [1,1,0,0,0,0|0,0,1]=3 65 B6R0.1 CCOC(=O)CBr A2Z00093566 [1,1,0,0,0,0|0,0,0]=2 66 B6R0.1 CCOC(=O)NN A2Z00096080 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 CNC(=O)CON A2Z00070422 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.1 COC(=O)CCS A2Z00096087 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.5 CS(=O)(=O)CCN A2Z00048059 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.6 C(CI)OCCI A2Z00095388 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.6 C(COCCCl)N A2Z00070360 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.6 C(COCCF)O A2Z00049591 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.6 CCCCCCBr A2Z00093564 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.6 CCCCCCI A2Z00093584 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.6 CCCCCCO A2Z00093499 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.6 COCCCCN A2Z00047139 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.6 COCCN=C=O A2Z00046536 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.16 CC(=O)CC(OC)OC A2Z00096091 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,2,0,0,0,0|2,0,0]=4 87 B8R0.1 CCOC(=O)CCCBr A2Z00093577 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.8 CC(C(=O)NCCO)Cl A2Z00094592 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.8 CC(C(=O)O)OCCN A2Z00070299 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.7 CC(=O)NCCCCN A2Z00047089 [0,2,0,0,0,0|1,0,0]=3 92 B8R0.7 CC(=O)NCCCCO A2Z00047993 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.7 CCCCCCC(=O)O A2Z00093531 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.7 CCCNCCC(=O)O A2Z00070008 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.7 CCCNCCC(=O)O A2Z00070304 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.21 CS(=O)(=O)NCCCCl A2Z00047995 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,2,0,0,0,0|1,0,1]=4 98 B6R1.2 C1CC(=N)NC1 A2Z00096075 [1,0,0,1,0,0|2,0,0]=4 99 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|0,0,2]=4 100 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|0,0,0]=2 101 B6R1.2 C1CCC(C1)N A2Z00093486 [1,0,0,1,0,0|1,0,1]=4 102 B6R1.2 C1CCC(C1)O A2Z00093488 [1,0,0,1,0,0|0,0,2]=4 103 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,1,0,0|1,0,0]=3 104 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,1,0,0|1,0,0]=3 105 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [1,0,0,1,0,0|1,0,0]=3 106 B6R1.1 C1CC=COC1 A2Z00050188 [1,0,0,1,0,0|0,0,1]=3 107 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,1,0,1,0,0|1,0,1]=4 110 B8R1.4 CC1COCC(N1)C A2Z00047115 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.40 C1CC1NC(=O)CN A2Z00044968 [0,1,0,1,0,0|1,0,0]=3 113 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,1,0,1,0,0|0,0,0]=2 114 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.5 CC1CCCCC1=O A2Z00038642 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,1,0,1,0,0|1,0,0]=3 117 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.35 C1CC1NCC(=O)N A2Z00049171 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.72 CC1(CNCCO1)C A2Z00047117 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.54 CC(C1CC1)C(=O)O A2Z00047916 [0,1,0,1,0,0|2,0,0]=4 121 B8R2.38 C1C2C1C(=O)NC2 A2Z00050425 [0,0,0,2,0,0|1,0,0]=3