0 B22R3.12627800 CNCC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-4509603180 [0,0,0,0,0,0|1,0,1]=2 1 B22R3.12627800 CNCCC=C1C2=CC=CC=C2SC3=CC=C(C=C13)Cl MCULE-1610785850 [0,0,0,0,0,0|1,0,1]=2 2 B21R3.590553 ClCCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-3461350417 [1,0,0,0,0,0|1,0,0]=2 3 B21R3.590553 N#CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Cl MCULE-9825662778 [1,0,0,0,0,0|0,0,2]=3 4 B21R3.8069667 CNCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2846422713 [1,0,0,0,0,0|0,0,0]=1 5 B21R3.8069667 NCCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4965768353 [1,0,0,0,0,0|2,0,0]=3 6 B23R3.10324912 CN(C)CC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8112602039 [0,1,0,0,0,0|1,0,1]=3 7 B23R3.10324912 CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7149047798 [0,1,0,0,0,0|1,0,1]=3 8 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-4912229237 [0,1,0,0,0,0|1,0,1]=3 9 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7221241811 [0,1,0,0,0,0|1,0,1]=3 10 B23R3.10324912 CN(C)CCCC1C2=CC(=CC=C2NC3=C1C=CC=C3)Cl MCULE-2714985119 [0,1,0,0,0,0|2,0,0]=3 11 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)OC3=C1C=C(N=N3)Cl MCULE-3702076708 [0,1,0,0,0,0|2,1,0]=4 12 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)OC3=C1C=C(N=N3)Cl MCULE-7365891690 [0,1,0,0,0,0|2,1,0]=4 13 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-5976054678 [0,1,0,0,0,0|0,0,0]=1 14 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8792081568 [0,1,0,0,0,0|0,0,0]=1 15 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-6965276497 [0,1,0,0,0,0|0,1,0]=2 16 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-9356559118 [0,1,0,0,0,0|0,1,0]=2 17 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3C1C=CC=C3)Cl MCULE-3468314078 [0,1,0,0,0,0|0,0,2]=3 18 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3C1C=CC=C3)Cl MCULE-7048402492 [0,1,0,0,0,0|0,0,2]=3 19 B23R3.32306484 NCCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-1104816873 [0,1,0,0,0,0|2,0,1]=4 20 B23R3.32306484 [NH3+]CCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-9143036995 [0,1,0,0,0,0|2,0,1]=4 21 B23R3.4962297 CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=C1C=CC=C3 MCULE-5491752370 [0,0,0,0,0,1|3,0,0]=4 22 B23R3.4962297 CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=C1C=CC=C3 MCULE-8484628436 [0,0,0,0,0,1|3,0,0]=4 23 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6661788203 [0,0,0,0,0,1|1,0,0]=2 24 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-7878739491 [0,0,0,0,0,1|1,0,0]=2 25 B20R2.4909 CCCCN(C1=CC=CC=C1)C2=CC(=CC=C2F)Br MCULE-5048153510 [1,0,1,0,0,0|1,1,0]=4 26 B20R3.178701 CCCC1=C2C=C(C=CC2=NC3=CC=CC=C13)Cl MCULE-6330725559 [2,0,0,0,0,0|2,0,0]=4 27 B20R3.368533 N#CCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-7440619659 [2,0,0,0,0,0|0,0,2]=4 28 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3131107288 [2,0,0,0,0,0|0,0,0]=2 29 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8866371003 [2,0,0,0,0,0|0,0,0]=2 30 B20R3.368533 NCCCN1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-4766118003 [2,0,0,0,0,0|0,1,0]=3 31 B22R2.1405 CCCCC[C@@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-5236045887 [0,1,1,0,0,0|2,0,0]=4 32 B22R2.1405 CCCCC[C@@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-7288214257 [0,1,1,0,0,0|2,0,0]=4 33 B22R2.1405 CCCCC[C@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-3843506828 [0,1,1,0,0,0|2,0,0]=4 34 B22R2.1405 CCCCC[C@H](N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl MCULE-4888124481 [0,1,1,0,0,0|2,0,0]=4 35 B22R2.4399 CN(C)CCCOC1=C(C=CC=C1)OC2=CC=C(C=C2)Cl MCULE-4794006999 [0,1,1,0,0,0|1,1,0]=4 36 B22R3.13446917 NCCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7265174685 [1,1,0,0,0,0|0,0,1]=3 37 B22R3.13446917 O=C(CCCl)N1C2=CC(=CC=C2SC3=C1C=CC=C3)Cl MCULE-5548527234 [1,1,0,0,0,0|1,0,1]=4 38 B22R3.15879846 COC(=O)CN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-3447461812 [1,1,0,0,0,0|1,0,1]=4 39 B22R3.93866040 NCCCN1C2=CC(=CC=C2S(=O)C3=C1C=CC=C3)Cl MCULE-4801593568 [1,1,0,0,0,0|0,0,1]=3 40 B22R3.15927150 CCCCCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6374108463 [1,1,0,0,0,0|1,0,0]=3 41 B22R3.16182945 CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-8873728994 [1,1,0,0,0,0|1,0,1]=4 42 B22R3.16182945 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1N=CC=C3 MCULE-5105926538 [1,1,0,0,0,0|1,0,0]=3 43 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2454310422 [1,1,0,0,0,0|0,0,0]=2 44 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-8672883746 [1,1,0,0,0,0|0,0,0]=2 45 B22R3.16182945 O=C(O)CCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9384223189 [1,1,0,0,0,0|2,0,0]=4 46 B22R3.15927403 CCCCCCN1C2=C(C=CC=C2)C3=C1C=C(C=C3)Br MCULE-8107020808 [0,1,0,0,1,0|1,1,0]=4 47 B24R3.2679831 CN(C)CCOC1=CC2=CC=CC=C2SC3=CC=C(C=C13)Cl MCULE-9082713433 [0,1,0,0,0,1|2,0,0]=4 48 B24R3.15111086 CN(C)CCSC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-1071837622 [0,1,0,0,0,1|2,0,0]=4 49 B24R3.15111086 CN(C)CCSC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-9674361951 [0,1,0,0,0,1|2,0,0]=4 50 B24R3.118819978 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6443168248 [0,1,0,0,0,1|1,0,0]=3 51 B24R3.118819978 C[NH+](C)CCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6495409435 [0,1,0,0,0,1|1,0,1]=4 52 B24R3.11986227 CN(C)CCC=C1C2=CC=C(C=C2SC3=C1C=C(C=C3)Cl)O MCULE-2513337423 [0,2,0,0,0,0|1,0,1]=4 53 B24R3.11986227 CN(C)CCC=C1C2=CC=C(C=C2SC3=C1C=C(C=C3)Cl)O MCULE-7980639028 [0,2,0,0,0,0|1,0,1]=4 54 B24R3.11986227 CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl MCULE-9597276291 [0,2,0,0,0,0|0,0,0]=2 55 B24R3.11986227 CN(C)CCCN1C2=CC=C(C=C2SC3=C1C=C(C=C3)Cl)O MCULE-7506504662 [0,2,0,0,0,0|0,0,0]=2 56 B24R3.13731091 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C(=C3)O)Cl MCULE-4756337702 [0,2,0,0,0,0|1,0,1]=4 57 B24R3.13731091 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C(=C3)O)Cl MCULE-7791700371 [0,2,0,0,0,0|1,0,1]=4 58 B24R3.13731091 CN(C)CCC=C1C2=CC(=C(C=C2SC3=C1C=CC=C3)F)Cl MCULE-2253547590 [0,2,0,0,0,0|1,0,1]=4 59 B24R3.13731091 CN(C)CCC=C1C2=CC(=C(C=C2SC3=C1C=CC=C3)F)Cl MCULE-4386952546 [0,2,0,0,0,0|1,0,1]=4 60 B24R3.15111195 CN(C)CCC(=O)N1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-2698513176 [0,2,0,0,0,0|0,0,1]=3 61 B24R3.15111195 CN(C)CCC(=O)N1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-7992757150 [0,2,0,0,0,0|0,0,1]=3 62 B24R3.25384571 CN(C)CCCN1C2=C(C=CC=C2)S(=O)C3=C1C=C(C=C3)Cl MCULE-2088133902 [0,2,0,0,0,0|0,0,1]=3 63 B24R3.25384571 CN(C)CCCN1C2=C(C=CC=C2)S(=O)C3=C1C=C(C=C3)Cl MCULE-6238383870 [0,2,0,0,0,0|0,0,1]=3 64 B24R3.25384571 CN(C)CCCN1C2=CC=CC=C2[S@@](=O)C3=C1C=C(C=C3)Cl MCULE-6091985011 [0,2,0,0,0,0|0,0,1]=3 65 B24R3.53940934 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C=C3O)Cl MCULE-1403233456 [0,2,0,0,0,0|1,0,1]=4 66 B24R3.53940934 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C=C3O)Cl MCULE-7720974333 [0,2,0,0,0,0|1,0,1]=4 67 B24R3.118808131 CN(C)CCC=C1C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl MCULE-3138285824 [0,2,0,0,0,0|1,0,1]=4 68 B24R3.118808131 CN(C)CCC=C1C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl MCULE-3931726748 [0,2,0,0,0,0|1,0,1]=4 69 B24R3.252557285 CNCCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)C(=O)C MCULE-2046309914 [0,2,0,0,0,0|1,0,0]=3 70 B22R3.262 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@@H]3CNCCN3 MCULE-6041746911 [0,0,1,1,0,0|2,0,0]=4 71 B22R3.262 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@@H]3CNCCN3 MCULE-6061369907 [0,0,1,1,0,0|2,0,0]=4 72 B22R3.262 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@H]3CNCCN3 MCULE-1509458264 [0,0,1,1,0,0|2,0,0]=4 73 B22R3.262 ClC1=CC=C(C=C1)SC2=CC=CC=C2[C@H]3CNCCN3 MCULE-2409141194 [0,0,1,1,0,0|2,0,0]=4 74 B20R2.146 CNCCCOC1=CC=CC=C1C2=CC=C(C=C2)O MCULE-4508715081 [0,0,1,0,1,0|2,0,0]=4 75 B20R3.2040304 BrCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-9857008045 [1,0,0,0,1,0|2,0,0]=4 76 B20R3.2040304 CCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8970752658 [1,0,0,0,1,0|1,0,0]=3 77 B20R3.2040304 CNCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9675162505 [1,0,0,0,1,0|0,0,0]=2 78 B22R3.13809978 ClCCCN1C2=CC(=CC=C2CCC3=C1C=CC=C3)Cl MCULE-3413857766 [1,0,0,0,0,1|2,0,0]=4 79 B22R3.13809978 NCCCN1C2=CC=CC=C2CCC3=CC=C(C=C13)Cl MCULE-1731714872 [1,0,0,0,0,1|1,0,0]=3 80 B22R3.3088238 CNCCCC1SC2=C(C=CC=C2)OC3=C1C=CC=C3 MCULE-1001116443 [1,0,0,0,0,1|1,1,0]=4 81 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6221890858 [1,0,0,0,0,1|1,0,1]=4 82 B22R3.12627361 CNCCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2397884474 [1,0,0,0,0,1|1,0,1]=4 83 B22R3.12627361 CNCCCC1C2=CC=CC=C2C=CC3=C1C=CC=C3 MCULE-3161866738 [1,0,0,0,0,1|2,0,0]=4 84 B22R3.12627361 CNCCCC1C2=CC=CC=C2C=CC3=C1C=CC=C3 MCULE-6023848462 [1,0,0,0,0,1|2,0,0]=4 85 B22R3.12627361 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5904286906 [1,0,0,0,0,1|1,0,0]=3 86 B22R3.12627361 C[NH2+]CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-1872169026 [1,0,0,0,0,1|1,0,1]=4