0 B7R0.1 C=CCCCCCC BB_SC-07258 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CCCCCCCI BB_SC-09408 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.1 CCCCCN=C=S BB_NC-02794 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.1 COCCNCC#N BB_SC-05180 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 NCCCCCCN BB_NC-02277 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 NCCSSCCN BB_SC-00059 [0,0,0,0,0,0|3,1,0]=4 6 B6R0.6 BrCCCCCBr BB_SC-06835 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.6 CCCCCCBr BB_SC-06675 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.6 CCCCCCI BB_SC-07033 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.6 CCCCCCN BB_SC-05552 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.6 CCCCN=C=O BB_SC-06541 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 CCCCOC=O BB_SC-07045 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.6 CCCNCCC BB_SC-06961 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.6 CCOCCCN BB_SC-06885 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.6 NCCCCCN BB_NC-02202 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 NCCNCCN BB_SC-05557 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 NCCNCCO BB_SC-05591 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 NCCOCCO BB_SC-07134 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.6 NCCSCCO BB_SC-09747 [1,0,0,0,0,0|1,1,0]=3 19 B8R0.4 CCCCCCCCCl BB_SC-07057 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.4 CCCCCCCCI BB_SC-06637 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.4 CCCCNCCCC BB_SC-07063 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.4 COCCNCCOC BB_SC-07130 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.6 CCCCCC(=O)CC BB_SC-06904 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.7 CC(C)CNCCCO BB_SC-01146 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.7 CCCCCCC(C)=O BB_SC-06900 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.7 O=C(O)CCCCCBr BB_SC-07210 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.2 BrCC1CCCCO1 BB_SC-05411 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.2 CNC1CCCCC1 BB_SC-06964 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 ClCC1CCCCO1 BB_SC-05541 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.2 ClCC1COCCO1 BB_SC-05472 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.5 CC1CCCCC1=O BB_SC-06869 [0,0,0,1,0,0|1,0,2]=4 32 B8R1.5 NC1CCCCC1N BB_SC-08943 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.5 OC1CCCCC1O BB_SC-01999 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.8 ClCCN1CCCC1 BB_SC-06829 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.8 N#CCN1CCCC1 BB_SC-08424 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.8 NCCN1CCCC1 BB_SC-12657 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.8 OCCN1CCCC1 BB_SC-03921 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.22 CN1CCCNCC1 BB_SC-09562 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.22 O=C1CCCCCO1 BB_SC-06787 [0,0,0,1,0,0|2,0,1]=4 40 B5R0.2 BrCCCCBr BB_SC-06730 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.2 CCCCCN BB_SC-06799 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.2 CCNCCO BB_SC-07158 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.2 CCOCCBr BB_SC-07261 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.2 CNCCCN BB_SC-07066 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.2 COCCCN BB_SC-06753 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.2 NCCCCN BB_NC-02221 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.3 CCCCC(=O)CC BB_SC-07061 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,1,0,0,0,0|0,0,2]=4 50 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,1,0,0,0,0|0,0,2]=4 51 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.7 CCCC(=O)CCC BB_SC-06946 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.7 CCOC(C)OCC BB_SC-07086 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.18 CCCCC(=O)CCCC BB_SC-00140 [0,2,0,0,0,0|2,0,0]=4 55 B9R0.2 CCCCCCCC(=O)Cl BB_SC-06812 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.2 CCCCCCCC(C)=O BB_SC-06918 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.45 CCCCCCCCCBr BB_SC-09432 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.45 CCCCCCCCCI BB_SC-06636 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.45 CCCCCCCCCN BB_SC-05554 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.45 NCCCCCCCCN BB_SC-12384 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.46 CCCCCCC(=O)OC BB_SC-07042 [0,2,0,0,0,0|1,0,1]=4 62 B7R1.1 BrCC1OCCO1 BB_SC-06594 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.1 CNC1CCSC1 BB_SC-11874 [1,0,0,1,0,0|1,1,0]=4 64 B7R1.1 ClCC1OCCO1 BB_SC-06593 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.3 CN1CCNCC1 BB_SC-06441 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 NN1CCCCC1 BB_SC-04637 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 NN1CCOCC1 BB_SC-06464 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 O=C1CCOCC1 BB_SC-11189 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.3 OC1CCCCC1 BB_SC-07055 [1,0,0,1,0,0|0,0,0]=2 71 B7R1.3 OC1CCNCC1 BB_SC-02766 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.3 OC1COCOC1 BB_SC-07035 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.4 NC1CSCC1O BB_NC-00016 [1,0,0,1,0,0|1,1,0]=4 74 B7R1.4 OC1COCC1O BB_NC-00093 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.7 CCCCC1CO1 BB_SC-05509 [1,0,0,1,0,0|0,0,0]=2 76 B7R1.24 C1=CCOCOC1 BB_SC-05392 [1,0,0,1,0,0|0,0,2]=4 77 B7R1.24 C1CCCNCC1 BB_SC-12394 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.24 C1CNCCNC1 BB_SC-11240 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.2 CN1CCCC(CO)C1 BB_SC-06860 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.8 ClCCC1CCCCN1 BB_SC-09738 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.8 ClCCN1CCCCC1 BB_SC-03898 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.8 ClCCN1CCOCC1 BB_SC-06553 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.8 NCCC1=CCCCC1 BB_SC-09389 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.8 NCCN1CCNCC1 BB_SC-06469 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.8 NCCN1CCOCC1 BB_SC-06589 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.8 OCCC1CCCCN1 BB_NC-00043 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.8 OCCN1CCNCC1 BB_SC-06855 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.8 OCCN1CCOCC1 BB_SC-03887 [0,1,0,1,0,0|1,0,0]=3 89 B9R1.12 CNCCN1CCCC1 BB_SC-09620 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.12 N#CCCN1CCCC1 BB_SC-08092 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.15 CN1CCCCC1CO BB_SC-06794 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.50 O=C1CCCCCCC1 BB_SC-06800 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.14 CCN1CCCC1CN BB_SC-06884 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.83 CCCCCCC1CO1 BB_SC-05510 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.83 CCCCOCC1CO1 BB_SC-00249 [0,1,0,1,0,0|0,0,0]=2 96 B9R1.89 BrCC1OCCCCO1 BB_SC-01174 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.6 O=C(O)C1CCCCN1 BB_SC-11513 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.13 O=C(O)CN1CCCC1 BB_SC-04947 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.40 CC1(O)CCOCC1O BB_NC-00062 [0,1,0,1,0,0|0,0,0]=2 100 B9R1.85 CC(C)COCC1CO1 BB_SC-05609 [0,1,0,1,0,0|2,0,0]=4