0 B19R3.7790954 CC1=CC2=C(C=C1)NC3=C2CCCC3C(=O)O MCULE-2626891242 [0,0,0,0,0,0|2,0,0]=2 1 B19R3.7790954 CC1=CC=C2NC3=C(C2=C1)CCCC3C(=O)N MCULE-4334993191 [0,0,0,0,0,0|1,0,0]=1 2 B19R3.7790954 CC1=CC=C2NC3=C(C2=C1)CCNC3C(=O)O MCULE-5048741321 [0,0,0,0,0,0|3,0,0]=3 3 B19R3.7790954 NC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-4813231179 [0,0,0,0,0,0|0,1,0]=1 4 B19R3.7790954 NC(=O)C1CCCC2=C1NC3=CC=C(C=C23)Cl MCULE-2491423827 [0,0,0,0,0,0|0,0,0]=0 5 B19R3.7790954 NC(=O)[C@@H]1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5331325960 [0,0,0,0,0,0|0,0,0]=0 6 B19R3.7790954 NC(=O)[C@@H]1CCCC2=C1NC3=CC=C(C=C23)Cl MCULE-3545296422 [0,0,0,0,0,0|0,0,0]=0 7 B19R3.7790954 NC(=O)[C@H]1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-9272022225 [0,0,0,0,0,0|0,0,0]=0 8 B19R3.7790954 NC(=O)[C@H]1CCCC2=C1NC3=CC=C(C=C23)Cl MCULE-3722163273 [0,0,0,0,0,0|0,0,0]=0 9 B19R3.7790954 O=C(O)C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-9705400245 [0,0,0,0,0,0|1,1,0]=2 10 B19R3.7790954 O=C(O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-6449178331 [0,0,0,0,0,0|1,0,0]=1 11 B19R3.7790954 O=C(O)C1NCCC2=C1NC3=C2C=C(C=C3)F MCULE-1709906297 [0,0,0,0,0,0|2,1,0]=3 12 B18R3.117422 NC(=O)C1CCCC2=C1NC3=CC=CC=C23 MCULE-3806163207 [1,0,0,0,0,0|0,0,0]=1 13 B18R3.117422 NC(=O)C1NCCC2=C1NC3=C2C=CC=C3 MCULE-6293392121 [1,0,0,0,0,0|1,0,0]=2 14 B18R3.117422 NC(=O)C1[NH2+]CCC2=C1NC3=C2C=CC=C3 MCULE-5381256007 [1,0,0,0,0,0|1,0,0]=2 15 B18R3.117422 O=C(O)C1CCCC2=C1NC3=CC=CC=C23 MCULE-3441343070 [1,0,0,0,0,0|1,0,0]=2 16 B18R3.117422 O=C([O-])C1[NH2+]CCC2=C1NC3=CC=CC=C23 MCULE-8223119168 [1,0,0,0,0,0|2,0,0]=3 17 B18R3.152976 CC1=CC2=C(C=C1)NC3=C2CCCC3C#N MCULE-2327080054 [1,0,0,0,0,0|1,0,2]=4 18 B18R3.152976 CNC1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-4034583250 [1,0,0,0,0,0|3,0,0]=4 19 B18R3.152976 N#CC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5126191923 [1,0,0,0,0,0|0,0,2]=3 20 B18R3.152976 N#CC1CCCC2=C1NC3=CC=C(C=C23)Br MCULE-2051254280 [1,0,0,0,0,0|0,1,2]=4 21 B18R3.152976 NCC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-7592702516 [1,0,0,0,0,0|0,0,1]=2 22 B18R3.152976 NCC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-8329217782 [1,0,0,0,0,0|0,0,1]=2 23 B18R3.152976 NN=C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-1620522789 [1,0,0,0,0,0|1,1,1]=4 24 B18R3.152976 NN=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-8401165100 [1,0,0,0,0,0|1,0,1]=3 25 B18R3.152976 NN=C1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-2332362435 [1,0,0,0,0,0|1,1,1]=4 26 B18R3.152976 ON=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-4205213888 [1,0,0,0,0,0|1,0,2]=4 27 B18R3.152976 [C@H]1(CCCC2=C1NC3=C2C=C(C=C3)C)CN MCULE-2612542166 [1,0,0,0,0,0|1,0,1]=3 28 B20R3.5939322 COC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-6951829579 [0,1,0,0,0,0|1,0,0]=2 29 B20R3.5939322 N/C(=N/O)/C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-9710720758 [0,1,0,0,0,0|0,1,1]=3 30 B20R3.5939322 N/C(=N/O)/C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-2087947426 [0,1,0,0,0,0|0,0,1]=2 31 B20R3.15087993 CC1=CC2=C(C=C1)N(C3=C2CCCC3C(=O)N)C MCULE-6872625087 [0,1,0,0,0,0|1,0,0]=2 32 B20R3.30118169 COC1=CC2=C(C=C1)NC3=C2CCNC3C(=O)O MCULE-5714246217 [0,1,0,0,0,0|3,0,0]=4 33 B20R3.54253088 CC1=CC=C2NC3=C(C2=C1)CCCC3(C)C(=O)N MCULE-1662644189 [0,1,0,0,0,0|1,0,0]=2 34 B18R2.3764 NC(=O)C1CCCCN1CC2=CC=C(C=C2)Cl MCULE-3959760719 [0,0,1,0,0,0|2,0,1]=4 35 B18R2.40893 CC(=O)NCCCC1=CNC2=C1C=C(C=C2)C MCULE-3241605365 [0,0,1,0,0,0|3,0,0]=4 36 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Br MCULE-9504069883 [0,0,1,0,0,0|2,1,0]=4 37 B18R2.40893 CC(=O)NCCCC1=CNC2=CC=C(C=C12)Cl MCULE-7359629042 [0,0,1,0,0,0|2,0,0]=3 38 B18R3.4096714 CC1=CC2=C(C=C1)NC3=C2CCC3C(=O)N MCULE-5246304273 [0,0,0,0,1,0|1,0,0]=2 39 B20R3.15051987 NC(=O)C1CCCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-1772644300 [0,0,0,0,0,1|0,0,0]=1 40 B20R3.15051987 NC(=O)[C@H]1CCCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-1099057077 [0,0,0,0,0,1|0,0,0]=1 41 B20R3.15081627 CC(=O)NC1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-4341147875 [0,0,0,0,0,1|2,0,0]=3 42 B20R3.15081627 CC(=O)NC1CCCC2=C1NC3=CC=C(C=C23)Cl MCULE-3495823280 [0,0,0,0,0,1|1,0,0]=2 43 B20R3.15081627 CC(=O)NC1CCCC2=C1NC3=CC=C(C=C23)F MCULE-2056975031 [0,0,0,0,0,1|1,1,0]=3 44 B20R3.15081627 CC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)N MCULE-6828721316 [0,0,0,0,0,1|1,0,0]=2 45 B20R3.15081627 NC(=O)NC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-1639017759 [0,0,0,0,0,1|0,0,0]=1 46 B17R2.137 NC(=O)CCSCC1=CNC2=CC=CC=C12 MCULE-1693128182 [1,0,1,0,0,0|1,0,0]=3 47 B17R2.137 O=C(O)CCCCC1=CNC2=C1C=CC=C2 MCULE-5436372444 [1,0,1,0,0,0|1,0,0]=3 48 B17R2.137 O=C(O)CCCSC1=CNC2=C1C=CC=C2 MCULE-1812397387 [1,0,1,0,0,0|2,0,0]=4 49 B17R2.137 O=C(O)CCSCC1=CNC2=CC=CC=C12 MCULE-7956059624 [1,0,1,0,0,0|2,0,0]=4 50 B17R3.633 N#CC1CCCC2=C1NC3=CC=CC=C23 MCULE-6286558165 [2,0,0,0,0,0|0,0,2]=4 51 B17R3.633 NCC1CCCC2=C1NC3=C2C=CC=C3 MCULE-5156465388 [2,0,0,0,0,0|0,0,1]=3 52 B17R3.633 NCC1CCCC2=C1NC3=C2C=CC=C3 MCULE-5971605757 [2,0,0,0,0,0|0,0,1]=3 53 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3N MCULE-5069546885 [2,0,0,0,0,0|1,0,0]=3 54 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3O MCULE-1977019762 [2,0,0,0,0,0|1,0,1]=4 55 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6788319029 [2,0,0,0,0,0|1,0,1]=4 56 B17R3.284867 NC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6876600633 [2,0,0,0,0,0|1,0,1]=4 57 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4161297277 [2,0,0,0,0,0|0,1,0]=3 58 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-1247300346 [2,0,0,0,0,0|0,0,0]=2 59 B17R3.284867 NC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3323101224 [2,0,0,0,0,0|0,0,0]=2 60 B17R3.284867 NC1CCCC2=C1NC3=CC=C(C=C23)F MCULE-8497621016 [2,0,0,0,0,0|0,1,0]=3 61 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4813662071 [2,0,0,0,0,0|0,1,1]=4 62 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3890355112 [2,0,0,0,0,0|0,0,1]=3 63 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-5148930600 [2,0,0,0,0,0|0,1,1]=4 64 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5138010157 [2,0,0,0,0,0|1,0,1]=4 65 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-7318775878 [2,0,0,0,0,0|0,1,1]=4 66 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-4561789282 [2,0,0,0,0,0|0,0,1]=3 67 B17R3.284867 [C@H]1(CCCC2=C1NC3=C2C=C(C=C3)C)O MCULE-4713401783 [2,0,0,0,0,0|1,0,1]=4 68 B19R3.90030 CN1CCC2=C(C1C(=O)O)NC3=CC=CC=C23 MCULE-5813041710 [1,1,0,0,0,0|2,0,0]=4 69 B19R3.246468 N/C(=N/O)/C1CCCC2=C1NC3=C2C=CC=C3 MCULE-4735140552 [1,1,0,0,0,0|0,0,1]=3 70 B19R3.667259 CC1(NCCC2=C1NC3=C2C=CC=C3)C(=O)O MCULE-5471374570 [1,1,0,0,0,0|2,0,0]=4 71 B19R3.126806 CC1=CC2=C(C=C1)NC3=C2CCCC3NC=O MCULE-6907849561 [1,1,0,0,0,0|1,0,0]=3 72 B19R3.126806 O=CNC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-1600220004 [1,1,0,0,0,0|0,1,0]=3 73 B19R3.126806 O=CNC1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-7667577025 [1,1,0,0,0,0|0,0,0]=2 74 B19R3.126806 O=CNC1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-9675862096 [1,1,0,0,0,0|0,1,0]=3 75 B19R3.1250391 CN1C2=C(C=C(C=C2)Cl)C3=C1C(CCC3)C#N MCULE-7781518457 [1,1,0,0,0,0|0,0,2]=4 76 B19R3.1250391 CNC1CCCC2=C1N(C3=C2C=C(C=C3)Cl)C MCULE-8427363007 [1,1,0,0,0,0|2,0,0]=4 77 B19R3.1250391 CNC1CCCC2=C1N(C3=C2C=C(C=C3)Cl)C MCULE-8708792065 [1,1,0,0,0,0|2,0,0]=4 78 B19R3.3659806 COC1=CC=C2NC3=C(C2=C1)CCCC3CN MCULE-6947983850 [1,1,0,0,0,0|1,0,1]=4 79 B21R3.9528729 CC1=CC2=C(C=C1)NC3=C2CCCC3NC(=O)CCl MCULE-9014138513 [0,1,0,0,0,1|2,0,0]=4 80 B21R3.28196749 CC1=CC2=C(C=C1)NC3=C2CCCC3(C)NC(=O)N MCULE-9455222109 [0,1,0,0,0,1|1,0,0]=3 81 B21R3.40002607 CC1=CC=C2C(=C1)C3=C(N2C)C(CCC3)NC(=O)N MCULE-6450725333 [0,1,0,0,0,1|1,0,0]=3 82 B21R3.62103293 COC1=CC=C2NC3=C(C2=C1)CCCC3NC(=O)C MCULE-6743806083 [0,1,0,0,0,1|2,0,0]=4 83 B21R3.8554336 CCNC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5400502615 [0,2,0,0,0,0|0,0,0]=2 84 B21R3.8554336 CCOC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)C MCULE-5001263114 [0,2,0,0,0,0|2,0,0]=4 85 B21R3.8554336 CCOC(=O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-7052531585 [0,2,0,0,0,0|1,0,0]=3 86 B17R2.468 NC(=O)C1CCCN1CC2=CC=C(C=C2)Cl MCULE-1363752942 [0,0,1,0,1,0|2,0,0]=4 87 B17R2.25462 CC(=O)NCCC1=CNC2=CC=C(C=C12)Cl MCULE-8524378306 [0,0,1,0,1,0|2,0,0]=4 88 B17R2.25462 NC(=O)NCCC1=CNC2=CC=C(C=C12)F MCULE-7766562592 [0,0,1,0,1,0|1,1,0]=4 89 B17R2.25462 O=C(O)CCCC1=CNC2=C1C=C(C=C2)F MCULE-2981152241 [0,0,1,0,1,0|1,1,0]=4 90 B17R2.25462 O=C(O)CCCC1=CNC2=CC=C(C=C12)Br MCULE-8939612998 [0,0,1,0,1,0|1,1,0]=4 91 B17R2.4252 NCCC1=C(NC2=CC=C(C=C12)Cl)C(=O)O MCULE-7123308083 [0,0,1,0,1,0|2,0,0]=4 92 B19R3.197545 CC(=O)CC1NCCC2=C1NC3=CC=CC=C23 MCULE-2967500737 [1,0,0,0,0,1|2,0,0]=4 93 B19R3.197545 CC(=O)CC1NCCC2=C1NC3=CC=CC=C23 MCULE-9342001640 [1,0,0,0,0,1|2,0,0]=4 94 B19R3.197545 CC(=O)NC1CCCC2=C1NC3=CC=CC=C23 MCULE-8558438290 [1,0,0,0,0,1|1,0,0]=3 95 B19R3.197545 O=C(O)CC1CCCC2=C1NC3=C2C=CC=C3 MCULE-8229326820 [1,0,0,0,0,1|1,0,0]=3 96 B19R3.197545 O=C(O)CC1NCCC2=C1NC3=CC=CC=C23 MCULE-7501139402 [1,0,0,0,0,1|2,0,0]=4 97 B19R3.296750 N#CC1CCCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5041947025 [1,0,0,0,0,1|0,0,2]=4