0 B7R0.3 CCC(=O)OCOC D72002 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.3 CCCNC(=O)CN C78397 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.3 CCONC(=O)CN AT14835 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.3 CNC(=O)NCCO AT23083 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.3 CNC(=O)OCCO AT13707 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.3 COC(=O)CCCN 32601 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 COC(=O)NCCN AT13709 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.3 COC(=O)\C=C\CO AT12483 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.50 CCN(CCCCO)N=O T72602 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.15 CCN1CCCNC1=O AT26678 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.15 CC[C@H]1CNCCC1=O O11002 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.21 CCC1=CC(CN)=CS1 54989 [0,0,0,1,0,0|1,1,1]=4 17 B9R1.21 CCC1=NN(CC)C=C1 C91457 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.21 CCN1C=C(CBr)C=N1 AT16085 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.89 O=CC1CCCCCC1 AT13628 [0,0,0,1,0,0|0,0,2]=3 21 B9R1.132 CC1=C(C)C(C=O)=CS1 AT17088 [0,0,0,1,0,0|1,0,2]=4 22 B6R0.1 C=C[C@@H](C)CCC T72328 [2,0,0,0,0,0|1,0,1]=4 23 B6R0.1 CCNC(=O)OC C16084 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 COCC(=O)CCl D85993 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.1 COCC(=O)OC F53343 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 C=C(C)CCCO 71061 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.4 CCONC(C)=O AT24904 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 COCOC(C)=O D72003 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.6 CCO\C=C\C=O F18326 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.1 CCNC(=O)NCCO AT23087 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.1 CCOC(=O)NCCN AT13715 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.1 CCOC(=O)\C=C\CN 86087 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.3 C=C(CC)C(=O)OCC 97591 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.3 C=C(CCl)C(=O)OCC T70430 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.6 CNC(=O)OCCCN AT13711 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.6 COC(=O)NCCCN AT13710 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [1,1,0,0,0,0|0,0,1]=3 39 B8R0.9 CC(C)CNC(=O)CN F21149 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [1,1,0,0,0,0|1,0,1]=4 47 B10R0.88 CCCC[C@H](CCC)C(=O)O D86923 [0,2,0,0,0,0|0,0,2]=4 48 B10R0.88 CCCC[C@H](OCC)C(=O)O AC2659 [0,2,0,0,0,0|0,0,2]=4 49 B10R0.133 CCCC[C@@](N)(CC)C(=O)O D78555 [0,2,0,0,0,0|0,0,2]=4 50 B10R0.33 CCOC(=O)[C@H](C=O)OCC AT14239 [0,2,0,0,0,0|1,0,1]=4 51 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [1,0,0,1,0,0|0,0,1]=3 53 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.2 OCC1=CCCCO1 S11090 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.3 O=C1CCC(Br)CC1 C77503 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.5 CN1CCCCC1=O C16744 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.5 C[C@H]1CCNCC1=O P13522 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.5 C[C@H]1CCOCC1=O F53480 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.5 N[C@H]1CCCNC1=O 51548 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.5 O=C1CCCC=C1I 62778 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.5 O=C1OCCC=C1Br AC2797 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.38 CCC(=O)C1CCC1 F53463 [1,0,0,1,0,0|0,0,1]=3 70 B8R1.38 NCC(=O)N1CCC1 C77774 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.50 CC1C(=O)NCC1O 94942 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.50 CC1CCC(C)C1=O F12414 [1,0,0,1,0,0|0,0,2]=4 73 B8R1.11 CC[C@H]1CCNC1=O AT18851 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.11 CO[C@H]1CCCC1=O AT25997 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.19 CCN1CCCNCC1=O AT20058 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.19 N#CC1=C(Cl)CCCCC1 57554 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.29 CCCC[C@H]1CCCC1=O O10708 [0,1,0,1,0,0|0,0,2]=4 78 B10R1.35 CCN1C=C(C=O)C(C)=N1 D85904 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.61 C[C@H](O)C1=C(Br)CCCC1 E70225 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,1,0,1,0,0|0,0,0]=2 83 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.348 OB(O)C1=CCCCCC1 AT23172 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.5 CCCC1=NNC=C1C=O C16225 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.4 NCCN1CCCCC1=O 71801 [0,1,0,1,0,0|1,0,1]=4 87 B10R1.4 O=C1CCCCN1CCO D96983 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.3 CCC1CCC(C=O)CC1 79556 [0,1,0,1,0,0|0,0,2]=4 89 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,2,0,0|0,0,2]=4 90 B10R2.3 O=C1CCC12CCCC2 84855 [0,0,0,2,0,0|0,0,2]=4