0 B6R0.1 CCCC(=O)NN F3191-0132 [1,0,0,0,0,0|2,0,0]=3 1 B6R0.4 C#CCCC(=O)O F1913-1832 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.4 CCCCB(O)O F0001-1206 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CNCCN(C)C F0001-0495 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.4 CSCCC(C)=O F0001-0996 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 N#CCCC(=O)O F8884-9159 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 NC(=O)NCCO F1019-0075 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 CCCCCCC F1908-0180 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.6 CCCCN=C=S F1915-0013 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.6 CCNCCNC F2147-1525 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 CC\C=C\CCO F0001-2233 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.6 OCCCCCO F0001-0238 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.6 CCCCOC(=O)CS F0001-0048 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.9 COC(=O)CCC(=O)O F1107-0326 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.11 CCCCC(CC)CBr F0001-0679 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.1 CN1CCC(CO)C1 F2147-0775 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.2 BrCC1CCCCO1 F1909-1580 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.2 CSC1=NCCCN1 F2147-0307 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.2 ON=C1CCCCC1 F1723-0300 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 C[C@H]1CC[C@H](N)CC1 F0001-0986 [0,0,0,1,0,0|1,0,1]=3 21 B8R1.5 CC1CCCNC1=O F1913-7611 [0,0,0,1,0,0|1,0,0]=2 22 B8R1.22 O=C1CCNCCN1 F2158-1556 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.22 O=C1CCNCCN1 F8880-3444 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.22 O=C1CCOCCN1 F8881-7824 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.22 O=C1CCSCCN1 F2147-1376 [0,0,0,1,0,0|2,0,0]=3 26 B5R0.2 CCCCC#N F0001-0220 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.2 CCCCC=O F2190-0583 [2,0,0,0,0,0|0,0,0]=2 28 B5R0.2 CCCCCO F0001-1831 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.2 CCCCNN F2169-0384 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 CCOCCCl F0001-1693 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 CCSCCN F2147-1017 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 CNCCOC F0001-1089 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 ICCCCI F0001-1692 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 CNC(=O)CBr F3310-0893 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CNC(=O)CS F8886-4364 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.3 O=C(CO)CO F0001-2767 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.2 CC(C)NC(=O)CBr F3310-0886 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.2 CCC(=O)CC(C)=O F8880-5203 [1,1,0,0,0,0|0,0,1]=3 39 B7R0.2 CNC(=O)CC(C)=O F0001-0716 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.2 COC(=O)CC(C)=O F0001-0105 [1,1,0,0,0,0|1,0,1]=4 41 B7R0.5 CC(C)C(=O)CC#N F2108-0263 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.7 CCCC(=O)OCC F0001-0107 [1,1,0,0,0,0|0,0,0]=2 43 B7R0.7 CCOC(=O)CCS F0001-1439 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.10 CCC(Br)C(=O)OC F2190-0282 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.10 CNC(C)C(=O)OC F8880-5208 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.4 C=CCCCC(=O)O F1913-3310 [1,1,0,0,0,0|1,0,1]=4 47 B7R0.4 CCCCCC(=O)Cl F0001-0498 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.4 CCCCCC(C)N F0001-0370 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 CN(C)CCCCN F2187-2324 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.6 CC(C)SCC(=O)O F3249-0157 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.1 CCCCCCCC F0001-0244 [1,1,0,0,0,0|0,0,1]=3 52 B7R0.1 CCCCCCCN F9995-1631 [1,1,0,0,0,0|0,0,1]=3 53 B7R0.1 CCCCCCCO F0001-0245 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.1 CCNCCNCC F8889-7850 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.1 ClCCCCCCBr F0001-1706 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.1 ICCCCCCI F0001-1700 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.1 OCCCCCCO F0001-1701 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.5 CCCCNC(=O)CC#N F2199-0293 [0,2,0,0,0,0|0,0,1]=3 59 B9R0.8 CON(C)C(=O)CCCCl F1903-0109 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.34 CCOC(=O)CC(=O)CC F8889-9376 [0,2,0,0,0,0|0,0,1]=3 61 B9R0.48 CC(C)COC(=O)CC#N F0001-0446 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.1 COC(=O)CCC[N+](=O)[O-] F2147-8058 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.13 CCCCC(CC)C(=O)O F0001-0703 [0,2,0,0,0,0|0,0,1]=3 64 B7R1.2 O=C1CCC(=O)C1 F0001-1098 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.3 C=C1CCNCC1 F8888-3171 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 IC1CCCCC1 F2190-0186 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.3 O=C1COCCN1 F8889-4140 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.4 CC1CCCC1=O F9995-1299 [1,0,0,1,0,0|0,0,0]=2 69 B7R1.22 O=C(CBr)C1CC1 F2158-1114 [1,0,0,1,0,0|1,0,0]=3 70 B7R1.18 CC(=O)C1CCC1 F0001-0928 [1,0,0,1,0,0|0,0,0]=2 71 B7R1.18 NC(=O)C1CCC1 F1913-0022 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.18 NC(=O)C1CNC1 F2158-1524 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.24 C1CNCCOC1 F2148-0116 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.7 CCCC1=NNC(=O)C1 F3146-4773 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.8 CCCC1CCCCN1 F8881-6048 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.8 NCCN1CCCCC1 F2187-2168 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.69 CC1CN(C)CCC1=O F0908-3964 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.11 CNC(=O)C1CCCN1 F2158-0298 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.11 COC(=O)C1CSCN1 F1962-0024 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.82 COC(=O)N1CC(O)C1 F6661-6528 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.133 CNC1CCS(=O)(=O)C1 F1040-0002 [0,1,0,1,0,0|2,0,0]=4