0 B6R0.4 C(CC(=O)N)CCl A2Z00070345 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [0,0,0,0,0,0|2,0,2]=4 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|2,0,2]=4 4 B6R0.4 CC(=O)OCCBr A2Z00098196 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 CCCNC(C)C A2Z00048056 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 CN(C)CCCCl A2Z00093595 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 C(C#N)C(=O)N A2Z00096074 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 C(CBr)C(=O)N A2Z00070352 [1,0,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|0,0,0]=1 13 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CSCC(=N)N A2Z00074300 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.2 C(CCN)CN A2Z00070215 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 CCCCCBr A2Z00093550 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.2 CCCCNC A2Z00093457 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.2 CCNCC=C A2Z00070010 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 COCN=C=O A2Z00048845 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,1,0,0,0,0|0,0,0]=1 24 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,1,0,0,0,0|2,0,1]=4 25 B7R0.3 CCCNC(=O)CCl A2Z00038430 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.3 COC(=O)CCCCl A2Z00098035 [0,1,0,0,0,0|1,0,0]=2 27 B7R0.3 COC(=O)CNC=O A2Z00096713 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.3 COCCC(=O)OC A2Z00094834 [0,1,0,0,0,0|1,0,0]=2 29 B7R0.4 C(CCS)CC(=O)O A2Z00070146 [0,1,0,0,0,0|0,0,0]=1 30 B7R0.4 C(CSCC(=O)O)N A2Z00070138 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.4 C=CCSCC(=O)O A2Z00097871 [0,1,0,0,0,0|0,0,2]=3 32 B7R0.4 CC(=O)CCCC#N A2Z00097349 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.4 CC(=O)NCCC#N A2Z00061540 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.4 CC(=O)NCCCN A2Z00047088 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.4 CC(=O)NCCCO A2Z00061529 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.4 CC(=O)NCCON A2Z00048058 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.4 CC(C)CCCCN A2Z00049525 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.4 CC(C)CCCNC A2Z00049564 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.4 CSCCCC(=O)O A2Z00070144 [0,1,0,0,0,0|0,0,0]=1 40 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.8 C(CS(=O)(=O)Cl)CCl A2Z00095206 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.8 CCCCS(=O)(=O)Cl A2Z00094075 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.8 CCCNS(=O)(=O)Cl A2Z00048835 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.8 COCCS(=O)(=O)Cl A2Z00047113 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,0,0,1,0,0|1,0,1]=3 49 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,0,0,1,0,0|1,0,0]=2 50 B7R1.3 C1CC(=O)CNC1 A2Z00096272 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 C1CC=CC(=O)C1 A2Z00096058 [0,0,0,1,0,0|1,0,1]=3 52 B7R1.3 C1CCC(CC1)N A2Z00093495 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 C1COCCC1=O A2Z00096060 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.3 C1CSCCC1=O A2Z00050190 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.3 CC1CNCCO1 A2Z00047116 [0,0,0,1,0,0|2,0,1]=4 56 B4R0.1 C(C(=O)Cl)Cl A2Z00093506 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,0]=3 59 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 C(CBr)CBr A2Z00093585 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 C(CON)O A2Z00048270 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 CCCCBr A2Z00093542 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 CCCCN A2Z00093484 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.2 CNCCCl A2Z00094137 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 CCOC(=O)C#N A2Z00096059 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.1 CCOC(=O)CBr A2Z00093566 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.1 CCOC(=O)NN A2Z00096080 [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 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.3 C(C(C(=O)N)N)O A2Z00085566 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.3 C(C(C(=O)O)N)O A2Z00096658 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.6 C(COCCF)O A2Z00049591 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.6 CCCCCCBr A2Z00093564 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.6 CCCCCCI A2Z00093584 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.6 CCCCCCO A2Z00093499 [1,1,0,0,0,0|0,0,1]=3 77 B6R0.6 COCCCCN A2Z00047139 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.6 COCCN=C=O A2Z00046536 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.2 CC(C(C(=O)O)Br)OC A2Z00049624 [0,2,0,0,0,0|1,0,0]=3 80 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,2,0,0,0,0|0,0,1]=3 81 B8R0.16 C(C(CN)CO)C(=O)O A2Z00050494 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.16 CC(=O)CC(OC)OC A2Z00096091 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.16 CCN(CC)CC(=O)N A2Z00038591 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.19 CCC(C)NC(=O)CCl A2Z00067385 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [0,2,0,0,0,0|0,0,0]=2 86 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.23 CC(=O)CC(C(=O)O)N A2Z00050345 [0,2,0,0,0,0|0,0,1]=3 88 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,2,0,0,0,0|0,0,0]=2 89 B8R0.1 CCOC(=O)CCC#N A2Z00095965 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.1 CCOC(=O)CCCBr A2Z00093577 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.6 COC(=O)CCN=[N+]=[N-] A2Z00096043 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.8 CC(C(=O)O)OCCN A2Z00070299 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.8 CSCCC(C(=O)O)N A2Z00093547 [0,2,0,0,0,0|0,0,0]=2 94 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,2,0,0,0,0|0,0,1]=3 95 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,2,0,0,0,0|0,0,1]=3 96 B8R0.7 CC(=O)NCCCCN A2Z00047089 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.7 CC(=O)NCCCCO A2Z00047993 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.7 CCCCCCC(=O)O A2Z00093531 [0,2,0,0,0,0|0,0,0]=2 99 B8R0.7 CCCNCCC(=O)O A2Z00070008 [0,2,0,0,0,0|0,0,0]=2 100 B8R0.7 CCCNCCC(=O)O A2Z00070304 [0,2,0,0,0,0|0,0,0]=2 101 B8R0.21 C(CCCl)CS(=O)(=O)Cl A2Z00047015 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,2,0,0,0,0|0,0,1]=3 103 B8R0.29 CS(=O)(=O)CCC(=O)O A2Z00048020 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.29 CS(=O)(=O)NCC(=O)O A2Z00046378 [0,2,0,0,0,0|2,0,0]=4 105 B6R1.2 C1CC(=N)NC1 A2Z00096075 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|1,0,1]=4 107 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|0,0,0]=2 108 B6R1.2 C1CCC(C1)O A2Z00093488 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,1,0,0|2,0,0]=4 110 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,1,0,0|1,0,0]=3 111 B6R1.11 C1CC1C(=O)Cl A2Z00095908 [1,0,0,1,0,0|1,0,0]=3 112 B6R1.1 C1CC=COC1 A2Z00050188 [1,0,0,1,0,0|0,0,1]=3 113 B8R1.1 C1C(CNC1=O)CN A2Z00096245 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.1 C1C(CNC1=O)CO A2Z00050383 [0,1,0,1,0,0|2,0,0]=4 115 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.4 CC1CCCC(C1)O A2Z00093510 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.4 CC1CNCC(O1)C A2Z00093443 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,1,0,1,0,0|0,0,0]=2 119 B8R1.40 C1CC1NC(=O)CN A2Z00044968 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.51 C1CS(=O)(=O)CC1N A2Z00061299 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.51 C1CS(=O)(=O)CC1O A2Z00061321 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.51 CC1(CCC(C1)O)C A2Z00050412 [0,1,0,1,0,0|1,0,1]=4 125 B8R1.3 CC1CCC(CC1)O A2Z00093509 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.5 CC1CCCCC1=O A2Z00038642 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.52 C1CCC(C1)(CN)O A2Z00045043 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 C1CNCC1C(=O)O A2Z00096244 [0,1,0,1,0,0|0,0,0]=2 130 B8R1.35 C1CC1NCC(=O)N A2Z00049171 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.54 CC(C1CC1)C(=O)O A2Z00047916 [0,1,0,1,0,0|0,0,0]=2 132 B8R1.78 CC1(COC1)C(=O)O A2Z00096242 [0,1,0,1,0,0|1,0,0]=3 133 B8R2.38 C1C2C1C(=O)NC2 A2Z00050425 [0,0,0,2,0,0|1,0,0]=3 134 B8R2.55 C1CCC2(C1)CO2 A2Z00094826 [0,0,0,2,0,0|1,0,1]=4