0 B8R1.22 CN1CCCNCC1 BB_SC-09562 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.22 NC1=NCCCCC1 BB_SC-09557 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.22 O=C1CCCCCN1 BB_SC-06656 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.24 C1=CCOCOC1 BB_SC-05392 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.24 C1CCCNCC1 BB_SC-12394 [1,0,0,0,0,0|0,0,1]=2 6 B7R1.24 C1CNCCNC1 BB_SC-11240 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.5 O=C1NCCCCC1Br BB_SC-09874 [0,1,0,0,0,0|0,0,0]=1 8 B7R0.1 C=CCCCCCC BB_SC-07258 [0,0,1,0,0,0|2,0,0]=3 9 B7R0.1 CCCCCCCI BB_SC-09408 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.1 CCCCCN=C=S BB_NC-02794 [0,0,1,0,0,0|0,1,2]=4 11 B7R0.1 NCCCCCCN BB_NC-02277 [0,0,1,0,0,0|1,0,1]=3 12 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,0,1,0,0,0|1,0,0]=2 13 B7R0.3 CCCCC(=O)NN BB_SC-00088 [0,0,1,0,0,0|1,0,0]=2 14 B7R0.3 COC(=O)CCCCl BB_SC-07247 [0,0,1,0,0,0|2,0,0]=3 15 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,0,1,0,0,0|2,0,0]=3 16 B7R0.4 CCCCCC(C)=O BB_SC-06722 [0,0,1,0,0,0|1,0,0]=2 17 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [0,0,1,0,0,0|2,0,0]=3 18 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [0,0,1,0,0,0|1,0,2]=4 19 B7R0.4 NCCCCC(=O)O BB_NC-02189 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,0,1,0,0,0|1,0,0]=2 21 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,0,1,0,0,0|2,0,1]=4 22 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,0,1,0,0,0|3,0,0]=4 23 B7R0.7 C\C=C\C(=O)OCC BB_NC-02193 [0,0,1,0,0,0|1,0,2]=4 24 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,0,0,0,1,0|3,0,0]=4 25 B7R1.3 NN1CCCCC1 BB_SC-04637 [0,0,0,0,1,0|2,0,0]=3 26 B7R1.3 NN1CCOCC1 BB_SC-06464 [0,0,0,0,1,0|3,0,0]=4 27 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,0,0,0,1,0|0,0,2]=3 28 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,0,0,0,1,0|0,0,0]=1 29 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,0,0,0,1,0|1,0,0]=2 30 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,0,0,0,1,0|1,0,0]=2 31 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,0,0,0,1,0|1,0,0]=2 32 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,0,0,0,1,0|1,0,0]=2 33 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,0,0,0,1,0|0,0,2]=3 34 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,0,0,0,1,0|1,0,2]=4 35 B7R1.3 SC1=NCCCN1 BB_SC-05375 [0,0,0,0,1,0|1,1,0]=3 36 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,0,0,0,0,1|1,0,0]=2 37 B6R0.6 BrCCCCCBr BB_SC-06835 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.6 CCCCCCBr BB_SC-06675 [1,0,1,0,0,0|1,0,1]=4 39 B6R0.6 CCCCCCI BB_SC-07033 [1,0,1,0,0,0|1,0,1]=4 40 B6R0.6 CCCCCCN BB_SC-05552 [1,0,1,0,0,0|0,0,1]=3 41 B6R0.6 CCCCN=C=O BB_SC-06541 [1,0,1,0,0,0|0,0,2]=4 42 B6R0.6 CCCCOC=O BB_SC-07045 [1,0,1,0,0,0|1,0,0]=3 43 B6R0.6 CCCNCCC BB_SC-06961 [1,0,1,0,0,0|0,0,1]=3 44 B6R0.6 CCOCCCN BB_SC-06885 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.6 NCCCCCN BB_NC-02202 [1,0,1,0,0,0|1,0,0]=3 46 B6R0.6 NCCNCCN BB_SC-05557 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.6 NCCNCCO BB_SC-05591 [1,0,1,0,0,0|1,0,1]=4 48 B6R0.6 NCCOCCO BB_SC-07134 [1,0,1,0,0,0|1,0,1]=4 49 B6R0.6 NCCSCCO BB_SC-09747 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.1 CCOC(=O)CBr BB_SC-06646 [1,0,1,0,0,0|2,0,0]=4 51 B6R0.1 CCOC(=O)CCl BB_SC-06777 [1,0,1,0,0,0|2,0,0]=4 52 B6R0.1 CCOC(=O)CS BB_SC-07162 [1,0,1,0,0,0|2,0,0]=4 53 B6R0.1 CCOC(=O)NN BB_SC-07159 [1,0,1,0,0,0|2,0,0]=4 54 B6R0.1 CNCC(=O)NC BB_NC-02631 [1,0,1,0,0,0|1,0,0]=3 55 B6R0.1 COC(=O)CCBr BB_SC-11223 [1,0,1,0,0,0|2,0,0]=4 56 B6R0.1 COC(=O)CCN BB_NC-01738 [1,0,1,0,0,0|2,0,0]=4 57 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,1,0,0,0|1,0,0]=3 58 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,1,0,0,0|1,0,0]=3 60 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,1,0,0,0|0,0,0]=2 61 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,1,0,0,0|2,0,0]=4 62 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,1,0,0,0|2,0,0]=4 63 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [0,1,1,0,0,0|1,0,0]=3 64 B8R0.7 O=C(O)CCCCCBr BB_SC-07210 [0,1,1,0,0,0|1,0,0]=3 65 B8R0.8 CNCCC(=O)N(C)C BB_SC-05314 [0,1,1,0,0,0|1,0,0]=3 66 B8R0.9 CC(C)CNC(=O)CN BB_SC-07829 [0,1,1,0,0,0|1,0,0]=3 67 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.11 CCCCC(C=O)CC BB_NC-02782 [0,1,1,0,0,0|1,0,1]=4 69 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,1,1,0,0,0|1,0,0]=3 70 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,1,1,0,0,0|2,0,0]=4 71 B8R1.2 CNC1CCCCC1 BB_SC-06964 [0,1,0,0,1,0|1,0,1]=4 72 B8R1.2 O=CN1CCNCC1 BB_SC-04847 [0,1,0,0,1,0|2,0,0]=4 73 B8R1.3 CC1CCC(=O)CC1 BB_SC-06867 [0,1,0,0,1,0|0,0,0]=2 74 B8R1.3 CN1CCC(O)CC1 BB_SC-06751 [0,1,0,0,1,0|2,0,0]=4 75 B8R1.3 O=C1CCC(=O)CC1 BB_SC-06510 [0,1,0,0,1,0|0,0,1]=3 76 B8R1.3 O=C1CNC(=O)CN1 BB_NC-00669 [0,1,0,0,1,0|1,0,1]=4 77 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,1,0,0,1,0|0,0,0]=2 78 B8R1.4 CN1CCCC(O)C1 BB_SC-02158 [0,1,0,0,1,0|2,0,0]=4 79 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,1,0,0,1,0|0,0,1]=3 80 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,1,0,0,1,0|0,0,0]=2 81 B8R1.5 NC1CCCCC1N BB_SC-08943 [0,1,0,0,1,0|1,0,1]=4 82 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [0,1,0,0,1,0|0,0,0]=2 83 B8R1.5 OC1CCCCC1O BB_SC-01999 [0,1,0,0,1,0|0,0,2]=4 84 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,0,1,1,0,0|2,0,0]=4 85 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [0,0,1,1,0,0|2,0,0]=4 86 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [0,0,1,1,0,0|1,0,0]=3 87 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [0,0,1,1,0,0|2,0,0]=4 88 B8R1.7 S=C(S)N1CCCC1 BB_SC-07227 [0,0,1,1,0,0|1,1,0]=4 89 B8R1.7 S=C([S-])N1CCCC1 BB_SC-09424 [0,0,1,1,0,0|1,1,0]=4 90 B8R2.25 C1CCC2OC2C1 BB_SC-06833 [1,0,0,1,0,0|1,0,1]=4 91 B6R1.1 C1=COCCC1 BB_SC-07074 [1,0,0,0,1,0|1,0,1]=4 92 B6R1.1 C1CSCCN1 BB_SC-06531 [1,0,0,0,1,0|1,0,0]=3 93 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,0,0,0,2,0|1,0,1]=4 94 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,0,2,0|1,0,1]=4 95 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,0,2,0|0,0,0]=2 96 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,0,2,0|1,0,0]=3 97 B6R1.2 O=C1NCCO1 BB_SC-06954 [0,0,0,0,2,0|1,0,0]=3 98 B6R1.2 O=C1OCCO1 BB_SC-06807 [0,0,0,0,2,0|2,0,0]=4 99 B6R1.2 S=C1NCCN1 BB_SC-06569 [0,0,0,0,2,0|1,1,0]=4