0 B7R0.3 COC(=O)CCC=O ACT08469 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 COC(=O)CCSC ACT06346 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.3 CSCC[C@@H](CO)N ACT04170 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 CSCC[C@H](CO)N ACT03140 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CC#CC(=O)OC ACT09348 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.1 CCCC(=O)SC ACT06405 [1,0,0,0,0,0|0,1,0]=2 6 B6R0.1 CCOC(=O)C#C ACT08916 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCOC(=O)CBr ACT01957 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(=O)CN ACT03311 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CNCC(=O)OC ACT07185 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 COC(=O)CCN ACT07866 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 C(CC(=O)O)CN ACT11886 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 CC(=O)CCCO ACT07203 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(=O)NCCCl ACT10150 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CCCSC(=O)C ACT06394 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 CNCCCNC ACT10138 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.1 CCOC(=O)CCCBr ACT03470 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.1 CCOC(=O)CCSC ACT06366 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.1 CCOC(=O)NCCCl ACT09961 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.6 COCCCC(=O)OC ACT03831 [0,1,0,0,0,0|0,1,0]=2 20 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 CN1CCC(=O)CC1 ACT04210 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.5 CC1CNCCC1=O ACT09743 [0,0,0,1,0,0|2,0,0]=3 24 B5R0.1 C(CN)C(=O)N ACT05141 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.1 C(CN)C(=O)O ACT04890 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 CC#CC(=O)O ACT02801 [2,0,0,0,0,0|0,0,2]=4 27 B5R0.1 CC(=CCS)C ACT06408 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CC(C)CCS ACT06430 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 CCSC(=O)C ACT06390 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 CNCC(=O)O ACT04970 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.2 CCCSSC ACT06210 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.2 CNCCNC ACT07313 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.2 CSCCCO ACT06341 [2,0,0,0,0,0|0,0,1]=3 34 B5R0.2 CSSCC=C ACT06216 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.3 COC(=O)C#C ACT08917 [2,0,0,0,0,0|0,0,2]=4 36 B5R0.3 COC(=O)CBr ACT01939 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.3 COC(=O)CN ACT08376 [2,0,0,0,0,0|1,0,0]=3 38 B7R0.2 COC(=O)CC(=S)N ACT08599 [1,1,0,0,0,0|0,0,2]=4 39 B7R0.2 C[C@H](CC(=O)OC)O ACT06831 [1,1,0,0,0,0|0,0,0]=2 40 B7R0.5 CCOC(=O)C(C)Br ACT02065 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.5 CCOC(=O)C(C)Cl ACT02803 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)C(C)N ACT08470 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.5 CCOC(=O)[C@H](C)N ACT00044 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.7 CCOC(=O)C#CC ACT02922 [1,1,0,0,0,0|0,0,2]=4 45 B7R0.7 CCOC(=O)CCN ACT00057 [1,1,0,0,0,0|1,0,0]=3 46 B7R0.7 CCOC(=O)CNC ACT08249 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.7 CCOC(=O)C[N+]#[C-] ACT02731 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.10 CCC(C(=O)OC)Br ACT02122 [1,1,0,0,0,0|0,0,0]=2 49 B7R0.10 CC[C@H](C(=O)OC)N ACT10443 [1,1,0,0,0,0|0,0,0]=2 50 B7R0.10 COC(=O)C(=C)CO ACT03973 [1,1,0,0,0,0|0,1,1]=4 51 B7R0.10 COC(=O)C(CO)N ACT08359 [1,1,0,0,0,0|0,1,0]=3 52 B7R0.10 COC(=O)[C@@H](CO)N ACT05963 [1,1,0,0,0,0|0,1,0]=3 53 B7R0.10 COC(=O)[C@H](CO)N ACT09183 [1,1,0,0,0,0|0,1,0]=3 54 B7R0.10 COC(=O)[C@H](CS)N ACT07406 [1,1,0,0,0,0|0,0,0]=2 55 B7R0.4 C(CCN)CC(=O)O ACT10888 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.4 CC(=O)CCCCBr ACT03439 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.6 CC(=O)CCC(=O)C ACT02799 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.6 CC(=O)NCC(=O)O ACT08307 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.6 CN(C)CCC(=O)O ACT09593 [1,1,0,0,0,0|1,0,0]=3 60 B9R0.5 CCOC(=O)COCCCl ACT02883 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.8 CCCCC(C(=O)OC)Br ACT02534 [0,2,0,0,0,0|1,0,0]=3 62 B9R0.8 COC(=O)[C@@H](CCCN)N ACT05208 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.34 CCOC(=O)C[C@@H](CBr)O ACT10695 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.35 CCCC(C(=O)CCC)O ACT06072 [0,2,0,0,0,0|2,0,0]=4 65 B9R0.48 CCOC(=O)CNC(=O)C ACT05046 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.23 CC(C)C[C@@H](C(=O)OC)N ACT08766 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.23 CC(C)C[C@H](C(=O)OC)N ACT08412 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N ACT07407 [0,2,0,0,0,0|1,0,0]=3 69 B7R1.2 C1[C@@H](CNC1=O)O ACT01696 [1,0,0,1,0,0|1,1,0]=4 70 B7R1.3 C1CNCCC1=O ACT02123 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 C1COCCC1=O ACT01867 [1,0,0,1,0,0|1,1,0]=4 72 B7R1.4 CC1C(=O)CCO1 ACT06568 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.4 CC1C(=O)CCS1 ACT06593 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.15 COC1CCCNC1=O ACT04469 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.49 CN1CCC(=O)NCC1 ACT09833 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.69 CC1CN(CCC1=O)C ACT05241 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.5 C1CCNC(=O)C(C1)N ACT01818 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.5 C1CCNC(=O)[C@H](C1)N ACT05209 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.5 CN1CCCCCC1=O ACT05308 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.11 COC(=O)C1CCCN1 ACT02244 [0,1,0,1,0,0|1,0,0]=3 82 B9R1.11 COC(=O)[C@H]1CCCN1 ACT08555 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.186 COC(=O)C1(CCC1)N ACT10585 [0,1,0,1,0,0|1,0,0]=3 84 B9R1.1 CCN1CCC(=O)CC1 ACT04212 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.1 COC1CCC(=O)CC1 ACT04530 [0,1,0,1,0,0|1,1,0]=4