0 B18R3.5898 NC1=C2C(=NC3=CC=CC=C13)CCCC2O MCULE-1179284159 [0,0,0,0,0,0|0,0,2]=2 1 B18R3.5898 NC1=C2C(=NC3=CC=CC=C13)CCCC2O MCULE-2034390696 [0,0,0,0,0,0|0,0,2]=2 2 B18R3.5898 NC1=C2C(=NC3=CC=CC=C13)CCCC2O MCULE-4228003322 [0,0,0,0,0,0|0,0,2]=2 3 B18R3.5898 NC1=C2C(=O)CCCC2=NC3=C1C=CC=C3 MCULE-3239187153 [0,0,0,0,0,0|0,0,4]=4 4 B18R3.5898 NC1=C2C(=O)CCCC2=NC3=C1C=CC=C3 MCULE-7654852128 [0,0,0,0,0,0|0,0,4]=4 5 B18R3.5898 NC1=C2C=CC=CC2=NC3=C1C(=O)CCC3 MCULE-4862246095 [0,0,0,0,0,0|0,0,4]=4 6 B17R3.35227 BrC1=C2CCCCC2=NC3=CC=CC=C13 MCULE-5625380312 [1,0,0,0,0,0|1,0,1]=3 7 B17R3.35227 CC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-2546935399 [1,0,0,0,0,0|1,0,1]=3 8 B17R3.35227 ClC1=C2CCCCC2=NC3=C1C=CC=C3 MCULE-8957811182 [1,0,0,0,0,0|1,0,1]=3 9 B17R3.35227 ClC1=C2CCCCC2=NC3=NC=CC=C13 MCULE-9819118382 [1,0,0,0,0,0|2,0,1]=4 10 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-3628803328 [1,0,0,0,0,0|0,0,2]=3 11 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-4824739637 [1,0,0,0,0,0|0,0,2]=3 12 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-6688871242 [1,0,0,0,0,0|0,0,2]=3 13 B17R3.35227 NC1=C2C=CC=CC2=NC3=C1COCC3 MCULE-8899994310 [1,0,0,0,0,0|1,0,2]=4 14 B17R3.35227 NC1=C2CCCCC2=CC3=CC=CC=C13 MCULE-2206793376 [1,0,0,0,0,0|1,0,1]=3 15 B17R3.35227 O=C1C2=C(C=CC=C2)N=C3N1CCCC3 MCULE-6267943915 [1,0,0,0,0,0|2,0,1]=4 16 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1CCCO3 MCULE-7988507370 [1,0,0,0,0,0|2,0,0]=3 17 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1CNCC3 MCULE-8559177090 [1,0,0,0,0,0|2,0,0]=3 18 B17R3.35227 O=C1C2=C(CCCC2)N=C3N1C=CC=C3 MCULE-3627252228 [1,0,0,0,0,0|2,0,1]=4 19 B17R3.35227 OC1=C2C=CC=CC2=NC3=C1CCCC3 MCULE-6355371150 [1,0,0,0,0,0|1,0,1]=3 20 B17R3.50126 O=C1CCCC2=C1SC3=C(N2)C=CC=C3 MCULE-9021609694 [1,0,0,0,0,0|1,0,2]=4 21 B17R3.50126 OC1=C2SC3=C(C=CC=C3)N=C2CCC1 MCULE-1585795967 [1,0,0,0,0,0|1,0,2]=4 22 B17R3.50126 OC1CCCC2=CC3=CC=CC=C3N=C12 MCULE-7968523424 [1,0,0,0,0,0|2,0,0]=3 23 B17R2.12072 CCCCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-6533022639 [0,0,1,0,0,0|2,0,0]=3 24 B17R2.12072 NCCCNC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-1393595503 [0,0,1,0,0,0|3,0,0]=4 25 B17R2.35670 CCCC1=NC2=C(C=CC=C2)C(=C1CC)N MCULE-2893367095 [0,0,1,0,0,0|1,0,2]=4 26 B17R2.35670 CCCC1=NC2=C(C=CC=C2)C(=C1CC)[NH3+] MCULE-7181689026 [0,0,1,0,0,0|1,0,2]=4 27 B19R3.8307 CC1=NC2=C(C=CC=C2)N=C3C1=C(CCC3)O MCULE-9128253915 [0,0,0,0,0,1|1,0,2]=4 28 B19R3.8307 CC1=NC2=C(C=CC=C2)NC3=C1C(=O)CCC3 MCULE-1555320040 [0,0,0,0,0,1|1,0,2]=4 29 B16R2.767 CCCC(O)C1=CC=C2C=CC=CC2=C1 MCULE-6684430143 [1,0,1,0,0,0|1,0,0]=3 30 B16R2.767 CCC[C@@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-4990267521 [1,0,1,0,0,0|2,0,0]=4 31 B16R2.767 CCC[C@@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-9113590468 [1,0,1,0,0,0|2,0,0]=4 32 B16R2.767 CCC[C@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-2584304260 [1,0,1,0,0,0|2,0,0]=4 33 B16R2.767 CCC[C@H](N)C1=CC2=C(C=CC=C2)C=C1 MCULE-3819831079 [1,0,1,0,0,0|2,0,0]=4 34 B16R2.1054 CCCCC1=CC(=C2C=CC=CC2=N1)Cl MCULE-8240823196 [1,0,1,0,0,0|1,0,1]=4 35 B16R2.1054 CCCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-8655182312 [1,0,1,0,0,0|1,0,0]=3 36 B16R2.2441 OCCCCC1=CC=C2C=CC=CC2=C1 MCULE-1802943962 [1,0,1,0,0,0|1,0,0]=3 37 B16R2.5844 CCCC1=C(C2=C(C=CC=C2)N=C1C)O MCULE-8684954626 [1,0,1,0,0,0|1,0,1]=4 38 B16R2.5844 CCCC1=C(C2=C(C=CC=C2)NC1=O)O MCULE-7947674765 [1,0,1,0,0,0|2,0,0]=4 39 B16R2.64 CCCC1=C(C=C2C=CC=CC2=N1)CC MCULE-7016539121 [1,0,1,0,0,0|1,0,1]=4 40 B16R2.23372 CC1=NC2=C(C=CC=C2)C(=C1C(C)O)N MCULE-5684167621 [1,0,1,0,0,0|0,0,2]=4 41 B16R2.1612 COC1=CC2=C(C=CC=C2)C=C1C(C)O MCULE-5243244484 [1,0,1,0,0,0|2,0,0]=4 42 B16R3.1720 C1=CC2=C(C=C1)N=C3CCCCC3=N2 MCULE-9162835146 [2,0,0,0,0,0|1,0,1]=4 43 B16R3.1720 C1=CC2=CC3=C(CCCC3)N=C2C=C1 MCULE-9376392408 [2,0,0,0,0,0|0,0,1]=3 44 B18R2.75286 CCCCCCC1=CC(=O)C2=C(N1)C=CC=C2 MCULE-5803149672 [0,1,1,0,0,0|2,0,0]=4 45 B18R2.178083 CCCCCC1=CC(=O)C2=CC=CC=C2N1C MCULE-3928383242 [0,1,1,0,0,0|2,0,0]=4 46 B18R2.129502 CCCC1=C(C(=N)C2=C(N1C)C=CC=C2)CC MCULE-8213535275 [0,1,1,0,0,0|1,0,0]=3 47 B18R2.129502 CCCC1=C(C(=[NH2+])C2=C(N1C)C=CC=C2)CC MCULE-1878838068 [0,1,1,0,0,0|1,0,1]=4 48 B18R3.5896 CC1=CC=CC2=C(C3=C(CCCC3)N=C12)N MCULE-5786406461 [1,1,0,0,0,0|0,0,2]=4 49 B18R3.5896 CN1CCCC2=C1NC3=C(C2=O)C=CC=C3 MCULE-3148196093 [1,1,0,0,0,0|2,0,0]=4 50 B18R3.5896 CN1CCCC2=C1NC3=C(C2=O)C=CC=C3 MCULE-6597120585 [1,1,0,0,0,0|2,0,0]=4 51 B18R3.5896 O=C1C2=CC=CC(=C2NC3=C1CNCC3)F MCULE-4609571389 [1,1,0,0,0,0|2,0,0]=4 52 B18R3.52086 CC1=CC2=C(C3=C(CCCC3)N=C2C=C1)N MCULE-2593734944 [1,1,0,0,0,0|0,0,2]=4 53 B18R3.52086 CC1=CC=C2N=C3CCCCC3=C(C2=C1)Cl MCULE-8192667839 [1,1,0,0,0,0|1,0,1]=4 54 B18R3.52086 CC1=CC=C2NC3=C(CNCC3)C(=O)C2=C1 MCULE-2364715942 [1,1,0,0,0,0|2,0,0]=4 55 B18R3.52086 CC1CCC2=C(C1)C(=O)C3=C(N2)C=CC=C3 MCULE-7607681272 [1,1,0,0,0,0|1,0,0]=3 56 B18R3.52086 CC1CCC2=NC3=C(C=CC=C3)C(=C2C1)N MCULE-7231368092 [1,1,0,0,0,0|0,0,2]=4 57 B18R3.52086 FC1=CC2=C(C=C1)N=C3CCCCC3=C2Cl MCULE-1133752946 [1,1,0,0,0,0|1,0,1]=4 58 B18R3.52086 NC1=C2CCCCC2=NC3=CC=C(C=C13)Br MCULE-8401257668 [1,1,0,0,0,0|0,0,2]=4 59 B18R3.52086 NC1=C2CCCCC2=NC3=CC=C(C=C13)Cl MCULE-2744187543 [1,1,0,0,0,0|0,0,2]=4 60 B18R3.52086 O=C1C2=CC(=CC=C2NC3=C1CCCC3)Br MCULE-8561550807 [1,1,0,0,0,0|1,0,0]=3 61 B18R3.52086 O=C1C2=CC(=CC=C2NC3=C1CNCC3)Cl MCULE-2415142459 [1,1,0,0,0,0|2,0,0]=4 62 B18R3.52086 O=C1C2=CC(=CC=C2NC3=C1CNCC3)F MCULE-1724940038 [1,1,0,0,0,0|2,0,0]=4 63 B18R3.99697 ClC1=CC=C2C(=C1)N=C3CCCCC3=C2Cl MCULE-2590526038 [1,1,0,0,0,0|1,0,1]=4 64 B18R3.99697 NC1=C2CCCCC2=NC3=CC(=CC=C13)Cl MCULE-2673263383 [1,1,0,0,0,0|0,0,2]=4 65 B18R3.99697 O=C1C2=C(C=C(C=C2)Cl)NC3=C1CCCC3 MCULE-3576556204 [1,1,0,0,0,0|1,0,0]=3 66 B18R3.220425 CNC1=C2CCCCC2=NC3=CC=CC=C13 MCULE-3172945561 [1,1,0,0,0,0|0,0,2]=4 67 B18R3.220425 CNC1=C2CCCCC2=NC3=CC=CC=C13 MCULE-7042205781 [1,1,0,0,0,0|0,0,2]=4 68 B18R3.220425 N#CC1=C2CCCCC2=NC3=C1C=CC=C3 MCULE-8337715393 [1,1,0,0,0,0|0,0,2]=4 69 B18R3.622457 CC1=C2C=CC=CC2=[N+](C3=C1CCCC3)C MCULE-4629762476 [1,1,0,0,0,0|1,0,1]=4 70 B18R3.622457 CC1=C2C=CC=CC2=[N+](C3=C1CCCC3)C MCULE-7524297412 [1,1,0,0,0,0|1,0,1]=4 71 B18R3.622457 CN1C2=C(C=CC=C2)C(=N)C3=C1CCCC3 MCULE-8225467944 [1,1,0,0,0,0|0,0,0]=2 72 B18R3.622457 CN1C2=C(C=CC=C2)C(=O)C3=C1CCNC3 MCULE-2551904755 [1,1,0,0,0,0|2,0,0]=4 73 B18R3.622457 CN1C2=CC=CC=C2C(=O)C3=C1CCCC3 MCULE-7913003298 [1,1,0,0,0,0|1,0,0]=3 74 B18R3.6434 N[C@H]1CC[C@H](C2=NC3=CC=CC=C3C=C12)N MCULE-2048026559 [1,1,0,0,0,0|1,0,1]=4 75 B18R3.834661 O=C1C2=C(C=CC=C2OC3=C1C(CC3)O)O MCULE-4570602808 [0,1,0,0,1,0|2,0,0]=4 76 B18R3.4953944 CC1=CC2=C(C=C1)N(C3=C2CCCC3O)C MCULE-2686684392 [0,1,0,0,1,0|2,0,0]=4 77 B18R3.4953944 [C@H]1(CCCC2=C1N(C3=C2C=C(C=C3)C)C)O MCULE-3383141575 [0,1,0,0,1,0|2,0,0]=4 78 B20R3.282132 CC1(CC(=O)C2=C(C1)NC3=CC=CC=C3C2=N)C MCULE-7522420131 [0,2,0,0,0,0|0,0,2]=4 79 B20R3.282132 CC1(CC2=NC3=CC=CC=C3C(=C2C(C1)O)N)C MCULE-7968088893 [0,2,0,0,0,0|0,0,2]=4 80 B20R3.282132 CC1(CC2=NC3=CC=CC=C3C(=N)C2=C(C1)O)C MCULE-1241581393 [0,2,0,0,0,0|0,0,2]=4 81 B18R3.5867 NC1CCCC2=C1C=NN2C3=NC=CC=C3 MCULE-3789813860 [0,0,1,1,0,0|2,0,0]=4 82 B18R3.5867 NC1CCCC2=C1C=NN2C3=NC=CC=C3 MCULE-8618617557 [0,0,1,1,0,0|2,0,0]=4 83 B18R3.5867 O=C1CCCC2=C1C=NN2C3=CC=CC=C3 MCULE-7652997770 [0,0,1,1,0,0|0,0,2]=4 84 B18R3.5897 O=C1CCCC2=C1C(=NN2)C3=CC=CC=C3 MCULE-6337747380 [0,0,1,1,0,0|0,0,2]=4 85 B18R3.5897 OC1CCCC2=C1C(=NN2)C3=CC=CC=C3 MCULE-9901848583 [0,0,1,1,0,0|0,0,0]=2 86 B18R3.595918 O=C1C2=CC=CC=C2NC3=C1CCCCC3 MCULE-7204466574 [0,0,1,1,0,0|2,0,0]=4 87 B16R2.2272 OCCNCC1=C(C2=C(N1)C=CC=C2)Cl MCULE-6138754301 [0,0,1,0,1,0|2,0,0]=4 88 B16R3.2754 BrC1=C2C=CC=CC2=NC3=C1CCC3 MCULE-3634336657 [1,0,0,0,1,0|1,0,1]=4 89 B16R3.2754 CC1=C2C=CC=CC2=[NH+]C3=C1CCC3 MCULE-5471687520 [1,0,0,0,1,0|1,0,1]=4 90 B16R3.2754 CC1=C2C=CC=CC2=[NH+]C3=C1CCC3 MCULE-8076517996 [1,0,0,0,1,0|1,0,1]=4 91 B16R3.2754 ClC1=C2C=CC=CC2=NC3=C1CCC3 MCULE-1150385533 [1,0,0,0,1,0|1,0,1]=4 92 B16R3.2754 NC1=C2C=CC=CC2=NC3=C1CCC3 MCULE-6238908830 [1,0,0,0,1,0|0,0,2]=4 93 B16R3.2754 NC1=C2C=CC=CC2=NC3=C1CCC3 MCULE-8587963734 [1,0,0,0,1,0|0,0,2]=4 94 B16R3.2754 O=C1C2=C(C=CC=C2)NC3=C1CCO3 MCULE-3198657341 [1,0,0,0,1,0|2,0,0]=4 95 B16R3.2754 O=C1C2=CC=CC=C2OC3=C1CCC3 MCULE-2928361179 [1,0,0,0,1,0|2,0,0]=4 96 B16R3.2754 OC1=C2CCCC2=NC3=CC=CC=C13 MCULE-2643117401 [1,0,0,0,1,0|1,0,1]=4 97 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 MCULE-3493050433 [1,0,0,0,1,0|2,0,0]=4 98 B16R3.3329 NC1CCCC2=C1NC3=C2C=CC=C3 MCULE-5554185141 [1,0,0,0,1,0|2,0,0]=4 99 B16R3.3329 OC1CCCC2=C1NC3=CC=CC=C23 MCULE-8096623094 [1,0,0,0,1,0|1,0,0]=3 100 B16R3.27838 O=C1CCCC2=C1C3=C(N2)C=CC=C3 MCULE-1851720499 [1,0,0,0,1,0|0,0,2]=4