0 B9R1.3 CN1CCCC(C1=O)N PB20691 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [1,0,0,0,0,0|1,0,1]=3 2 B8R1.4 C1CNC(=O)CC1N PB11631 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.4 CC1CC(=O)CCN1 PB18889 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.4 CC1CC(=O)CCO1 PB18115 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.4 CC1CNCC(=O)N1 AB37299 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.4 CN1CCCC(=O)C1 AB39316 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.4 C[C@@H]1CC(=O)CCO1 PB35061 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.4 C[C@@H]1CCC[C@@H](N1)C AB02692 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.4 C[C@@H]1CCC[C@H](N1)C AB76289 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.4 C[C@@H]1CNCC(=O)N1 AB37303 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.4 C[C@H]1CC(=O)CCO1 PB15186 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.4 C[C@H]1CNCC(=O)N1 AB37302 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.5 C1CCC(=O)C(C1)F MB01688 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.5 C1CNCC(C1=O)F PB20587 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.5 C1COCC(C1=O)Br PB18064 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.5 C1COCC(C1=O)F PB28362 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.5 C1C[C@@H](C(=O)NC1)N AB49759 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.5 C1C[C@H](C(=O)NC1)N AB45380 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.5 CC1C(=O)NCCN1 AB04135 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.5 CC1C(=O)NCCO1 AB71412 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.5 CC1CCNCC1=O PB36769 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.5 CC1CNCCC1=O PB23474 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.5 CC1COCCC1=O PB26907 [1,0,0,0,0,0|1,0,1]=3 25 B8R1.5 CN1CCNCC1=O PB24934 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.5 C[C@@H]1C(=O)NCCN1 AB76857 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.5 C[C@H]1C(=O)NCCN1 AB37140 [1,0,0,0,0,0|2,0,0]=3 28 B8R0.2 CCC(C)C(C(=O)O)Br CB10117 [0,0,1,0,0,0|2,0,1]=4 29 B10R2.41 C1C2COC(C2=O)CN1 PB37278 [0,0,0,1,0,0|1,0,2]=4 30 B10R2.41 C1CC2CNCC1C2=O PB30498 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.50 C1CN(C(=O)C1N)O AB02803 [0,0,0,0,1,0|2,0,1]=4 32 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.5 CCC[C@@H](C(=O)O)N AB02603 [1,0,1,0,0,0|1,0,1]=4 34 B7R0.5 CCC[C@H](C(=O)O)N AB00929 [1,0,1,0,0,0|1,0,1]=4 35 B7R0.5 CCOC(=O)C(=O)N AB00911 [1,0,1,0,0,0|2,0,0]=4 36 B7R0.10 CCC(C(=O)OC)N AB16757 [1,0,1,0,0,0|2,0,0]=4 37 B7R1.3 C1CC(=O)CNC1 AB27650 [2,0,0,0,0,0|1,0,1]=4 38 B7R1.3 C1CC(=O)CNC1 PB26241 [2,0,0,0,0,0|1,0,1]=4 39 B7R1.3 C1CC(=O)COC1 PB27461 [2,0,0,0,0,0|1,0,1]=4 40 B7R1.3 C1CC(=O)CSC1 PB28980 [2,0,0,0,0,0|1,0,1]=4 41 B7R1.3 C1CNC(=O)CN1 PB23229 [2,0,0,0,0,0|2,0,0]=4 42 B7R1.3 C1CNCCC1=O PB32095 [2,0,0,0,0,0|1,0,1]=4 43 B7R1.3 C1COC(=O)CN1 AB71646 [2,0,0,0,0,0|2,0,0]=4 44 B7R1.3 C1COCC(=O)N1 PB29100 [2,0,0,0,0,0|2,0,0]=4 45 B7R1.3 C1COCC=C1I AB69543 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.3 C1COCCC1=O PB24536 [2,0,0,0,0,0|1,0,1]=4 47 B7R1.3 C1CSCCC1=O PB25896 [2,0,0,0,0,0|1,0,1]=4 48 B7R1.3 CC1CCCNC1 AB00557 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [0,1,1,0,0,0|0,0,0]=2 50 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [0,1,1,0,0,0|2,0,0]=4 51 B9R1.2 C1CC(NC(=O)C1)CO AB63547 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.2 C1CNC(=O)CC1CN PB30164 [1,1,0,0,0,0|1,0,1]=4 53 B9R1.2 C1CNC(=O)CC1CO PB18227 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.2 CCC1CCCC(=O)N1 CB11733 [1,1,0,0,0,0|1,0,0]=3 55 B9R1.2 CCC1COCC(=O)N1 AB56433 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.15 CCC1C(=O)CCCN1 AB43253 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.15 CCC1C(=O)NCCN1 AB22426 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.15 CCC1CCCCC1=O AB02693 [1,1,0,0,0,0|0,0,1]=3 64 B9R1.15 CCC1COCCC1=O AB75455 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.15 COC1COCCC1=O PB17702 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.40 CC1(C(=O)NCCN1)C AB09796 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.40 CC1(C(=O)NCCO1)C AB71828 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.40 CC1(CNCCC1=O)C PB31517 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.132 CN1C(CCC1=O)CO MB69102 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.33 CCCN1CCCC1=O AB51341 [0,0,1,1,0,0|2,0,0]=4 73 B9R2.19 C1C2CNC(=O)C1N2 PB31914 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.106 C1CC2=NCC=C2C(=O)C1 AB02874 [0,1,0,1,0,0|1,0,1]=4 75 B11R2.106 C1CC2C=NC=C2C(=O)C1 AB22251 [0,1,0,1,0,0|1,0,1]=4 76 B7R1.2 CN1CCC(=O)C1 PB26542 [1,0,0,0,1,0|1,0,1]=4 77 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [1,0,0,0,1,0|2,0,0]=4 78 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [1,0,0,0,1,0|2,0,0]=4 79 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [1,0,0,0,1,0|2,0,0]=4 80 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.48 CC1CC(=O)NCCN1 PB15399 [1,0,0,0,0,1|1,0,1]=4