0 B18R3.555453 NC1=C2C=CC=C3C2=C(C(=O)NC3=O)C=C1 MCULE-5608953652 [0,0,0,0,0,0|0,0,0]=0 1 B18R3.555453 NC1=C2C=CC=C3C2=C(C(=O)OC3=O)C=C1 MCULE-9102633604 [0,0,0,0,0,0|1,0,0]=1 2 B18R3.555453 O=C1NC(=O)C2=C3C1=CC=CC3=C(C=C2)Br MCULE-9726798219 [0,0,0,0,0,0|1,0,0]=1 3 B18R3.555453 O=C1OC(=O)C2=C3C1=CC=CC3=C(C=C2)Br MCULE-7361635061 [0,0,0,0,0,0|2,0,0]=2 4 B18R3.555453 O=C1OC(=O)C2=C3C1=CC=CC3=C(C=C2)Cl MCULE-2140064732 [0,0,0,0,0,0|2,0,0]=2 5 B18R3.555453 O=C1OC(=O)C2=CC=C(C3=C2C1=CC=C3)O MCULE-6407158194 [0,0,0,0,0,0|2,0,0]=2 6 B17R3.48264 NC1=CC(=O)C2=C3C1=CC=CC3=CC=C2 MCULE-7240230143 [1,0,0,0,0,0|2,0,0]=3 7 B17R3.48264 O=C1C=C(C2=CC=CC3=C2C1=CC=C3)O MCULE-6076494328 [1,0,0,0,0,0|1,0,1]=3 8 B17R3.48264 O=C1C=C(C2=CC=CC3=CC=CC1=C23)Cl MCULE-5078951668 [1,0,0,0,0,0|2,0,0]=3 9 B17R3.48264 O=C1NC(=O)C2=CC=CC3=C2C1=CC=C3 MCULE-8827702793 [1,0,0,0,0,0|0,0,0]=1 10 B17R3.48264 O=C1OC(=O)C2=CC=CC3=C2C1=CC=C3 MCULE-8718069449 [1,0,0,0,0,0|1,0,0]=2 11 B17R3.48264 O=C1OC(C2=C3C1=CC=CC3=CC=C2)O MCULE-3766533794 [1,0,0,0,0,0|1,0,2]=4 12 B17R3.48264 O=C1SC(=S)C2=CC=CC3=C2C1=CC=C3 MCULE-5709636397 [1,0,0,0,0,0|1,1,0]=3 13 B17R3.277066 N=C1C=CC2=C3C1=CC=CC3=C(C=C2)N MCULE-3877198803 [1,0,0,0,0,0|2,0,0]=3 14 B17R3.277066 N=C1C=CC2=CC=C(C3=C2C1=CC=C3)N MCULE-3733515824 [1,0,0,0,0,0|2,0,0]=3 15 B17R3.277066 NC1=CC=C2C=CC(=O)C3=CC=CC1=C23 MCULE-5540360676 [1,0,0,0,0,0|1,0,0]=2 16 B17R3.277066 O=C1C=CC2=CC=C(C3=CC=CC1=C23)O MCULE-3708562332 [1,0,0,0,0,0|2,0,0]=3 17 B19R3.2440038 CN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)Br MCULE-1236723171 [0,1,0,0,0,0|1,0,0]=2 18 B19R3.2440038 CN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)N MCULE-2084116201 [0,1,0,0,0,0|0,0,0]=1 19 B19R3.2440038 CN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)O MCULE-7255836643 [0,1,0,0,0,0|1,0,0]=2 20 B19R3.2440038 NN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)Br MCULE-5836083749 [0,1,0,0,0,0|1,0,0]=2 21 B19R3.2440038 O=C1C2=CC=C(C3=CC=CC(=C23)C(=O)N1O)Br MCULE-3021471325 [0,1,0,0,0,0|1,0,0]=2 22 B19R3.2440038 O=C1C2=CC=CC3=C2C(=CC=C3Cl)C(=O)N1O MCULE-4266384940 [0,1,0,0,0,0|1,0,0]=2 23 B19R3.2526161 NC1=C(C2=CC=CC3=C2C(=C1)C(=O)OC3=O)O MCULE-1310874027 [0,1,0,0,0,0|2,0,0]=3 24 B19R3.7731494 NC1=CC=C2C(=O)OC(=O)C3=C2C1=C(C=C3)N MCULE-4379594967 [0,1,0,0,0,0|1,0,0]=2 25 B19R3.7731494 O=C1OC(=O)C2=C3C1=CC=C(C3=C(C=C2)Br)Br MCULE-6140826887 [0,1,0,0,0,0|2,0,0]=3 26 B19R3.7731494 O=C1OC(=O)C2=C3C1=CC=C(C3=C(C=C2)Cl)Cl MCULE-5829904558 [0,1,0,0,0,0|2,0,0]=3 27 B17R2.50010 CC=CC(=O)C1=C2C=CC=CC2=C(C=C1)C MCULE-5904800201 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.50010 CC=CC(=O)C1=C2C=CC=CC2=C(C=C1)F MCULE-6507898844 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.50010 CCNC(=O)C1=C2C=CC=CC2=C(C=C1)Br MCULE-4158494010 [0,0,1,0,0,0|2,0,1]=4 30 B17R2.50010 CCOC(=O)C1=C2C=CC=CC2=C(C=C1)N MCULE-6524168680 [0,0,1,0,0,0|2,0,1]=4 31 B17R2.821829 COC=C1C(=O)NC(=O)C2=CC=C(C=C12)I MCULE-2425735154 [0,0,1,0,0,0|2,0,1]=4 32 B17R3.436858 CN1C(=O)C2=CC=CC3=C(C=CC1=C23)N MCULE-9836400509 [0,0,0,0,1,0|2,0,0]=3 33 B17R3.436858 O=C1C(=O)C2=C3C1=CC=C(C3=CC=C2)Br MCULE-9120938114 [0,0,0,0,1,0|1,0,0]=2 34 B16R2.33905 COC(=O)C1=CC=CC2=C(C=CC=C12)N MCULE-3539704019 [1,0,1,0,0,0|1,0,1]=4 35 B16R2.33905 NNC(=O)C1=CC=CC2=C(C=CC=C12)Br MCULE-4728121193 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.160202 CC(NC=O)C1=C2C=CC=CC2=CC=C1 MCULE-8911676197 [1,0,1,0,0,0|1,0,1]=4 37 B16R2.160202 CC=CC(=O)C1=CC=CC2=CC=CC=C12 MCULE-6780463730 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.33942 CNC(=O)C1=C2C=CC=CC2=C(C=C1)Br MCULE-1023616908 [1,0,1,0,0,0|1,0,1]=4 39 B16R2.33942 COC(=O)C1=C2C=CC=CC2=C(C=C1)N MCULE-9850358997 [1,0,1,0,0,0|1,0,1]=4 40 B16R2.33942 NNC(=O)C1=CC=C(C2=CC=CC=C12)Br MCULE-5739460167 [1,0,1,0,0,0|2,0,0]=4 41 B16R2.189523 O=CC1=CC=CC2=CC=CC(=C12)C(=O)O MCULE-8224350131 [1,0,1,0,0,0|1,0,0]=3 42 B16R3.153 O=C1C=CC2=CC=CC3=CC=CC1=C23 MCULE-1793544636 [2,0,0,0,0,0|1,0,0]=3 43 B16R3.153 O=C1CCC2=C3C1=CC=CC3=CC=C2 MCULE-8349787771 [2,0,0,0,0,0|1,0,1]=4 44 B16R3.153 O=C1NCC2=C3C1=CC=CC3=CC=C2 MCULE-2582360458 [2,0,0,0,0,0|0,0,1]=3 45 B16R3.153 O=C1OCC2=CC=CC3=CC=CC1=C23 MCULE-4197773563 [2,0,0,0,0,0|1,0,1]=4 46 B18R2.62470 NC1=CC=C(C2=C(C=CC=C12)C(=O)O)C(=O)O MCULE-7172759781 [0,1,1,0,0,0|1,0,0]=3 47 B18R2.62470 O=C(O)C1=CC=CC2=C(C=CC(=C12)C(=O)O)Br MCULE-9205623984 [0,1,1,0,0,0|2,0,0]=4 48 B18R2.62470 O=C(O)C1=CC=CC2=C(C=CC(=C12)C(=O)O)Cl MCULE-3088547285 [0,1,1,0,0,0|2,0,0]=4 49 B18R3.2518315 CN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-8234747642 [1,1,0,0,0,0|0,0,0]=2 50 B18R3.2518315 NN1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-4880151476 [1,1,0,0,0,0|0,0,0]=2 51 B18R3.2518315 O=C1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-8570354881 [1,1,0,0,0,0|1,0,0]=3 52 B18R3.2518315 O=C1C2=CC=CC3=C2C(=CC=C3)C(=O)N1O MCULE-8673415133 [1,1,0,0,0,0|0,0,0]=2 53 B18R3.2518315 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1[O-] MCULE-2557814744 [1,1,0,0,0,0|0,0,0]=2 54 B18R3.2518315 O=C1C2=CC=CC3=CC=CC(=C23)C(=O)N1[O-] MCULE-5516862950 [1,1,0,0,0,0|0,0,0]=2 55 B18R3.4701895 NC1=CC2=C3C(=CC=C2)C(=O)OC(=O)C3=C1 MCULE-5077894992 [1,1,0,0,0,0|1,0,0]=3 56 B18R3.4701895 O=C1NC(=O)C2=CC(=CC3=C2C1=CC=C3)Br MCULE-2224280636 [1,1,0,0,0,0|0,0,0]=2 57 B18R3.4701895 O=C1NC(=O)C2=CC(=CC3=C2C1=CC=C3)O MCULE-2472108564 [1,1,0,0,0,0|0,0,0]=2 58 B18R3.4701895 O=C1OC(=O)C2=C3C1=CC(=CC3=CC=C2)O MCULE-4019398749 [1,1,0,0,0,0|1,0,0]=3 59 B18R3.4701895 O=C1OC(=O)C2=CC(=CC3=C2C1=CC=C3)Br MCULE-5866779699 [1,1,0,0,0,0|1,0,0]=3 60 B18R3.309344 CCN1C(=O)C2=C3C1=CC=C(C3=CC=C2)N MCULE-3931454088 [0,1,0,0,1,0|2,0,0]=4 61 B18R3.908799 O=C1C(=O)C2=C3C1=CC=C(C3=C(C=C2)Br)Br MCULE-7588612678 [0,1,0,0,1,0|1,0,0]=3 62 B18R3.1337778 N#CC1=C2C=CC=C3C2=C(C(=O)C3=O)C=C1 MCULE-5419721605 [0,1,0,0,1,0|0,0,1]=3 63 B20R3.1579486 CNC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)C MCULE-7811676242 [0,2,0,0,0,0|0,0,0]=2 64 B20R3.1579486 COC1=C2C=CC=C3C2=C(C(=O)N(C3=O)O)C=C1 MCULE-1810369244 [0,2,0,0,0,0|1,0,0]=3 65 B20R3.1579486 COC1=CC=C2C(=O)N(C(=O)C3=CC=CC1=C23)C MCULE-8262660438 [0,2,0,0,0,0|1,0,0]=3 66 B20R3.3472184 CC(=O)C1=C2C=CC=C3C2=C(C(=O)OC3=O)C=C1 MCULE-2189735604 [0,2,0,0,0,0|2,0,0]=4 67 B20R3.3472184 CN(C)C1=C2C=CC=C3C2=C(C(=O)OC3=O)C=C1 MCULE-9703221434 [0,2,0,0,0,0|1,0,0]=3 68 B20R3.3472184 O=C(O)C1=CC=C2C(=O)NC(=O)C3=CC=CC1=C23 MCULE-3983472482 [0,2,0,0,0,0|1,0,0]=3 69 B20R3.3472184 O=C(O)C1=CC=C2C(=O)OC(=O)C3=CC=CC1=C23 MCULE-2055694908 [0,2,0,0,0,0|2,0,0]=4 70 B20R3.3472184 O=C1NC(=O)C2=C3C1=CC=C(C3=CC=C2)N(=O)=O MCULE-1512912476 [0,2,0,0,0,0|0,0,1]=3 71 B20R3.3472184 O=C1OC(=O)C2=CC=C(C3=C2C1=CC=C3)N(=O)=O MCULE-2554378708 [0,2,0,0,0,0|1,0,1]=4 72 B20R3.10746826 CCN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)Cl MCULE-5194004375 [0,2,0,0,0,0|1,0,0]=3 73 B20R3.10746826 CCN1C(=O)C2=CC=CC3=C(C=CC(=C23)C1=O)N MCULE-3858715926 [0,2,0,0,0,0|0,0,0]=2 74 B20R3.10746826 CCN1C(=O)C2=CC=CC3=C2C(=CC=C3Br)C1=O MCULE-6430157022 [0,2,0,0,0,0|1,0,0]=3 75 B20R3.10746826 CON1C(=O)C2=CC=CC3=C2C(=CC=C3Br)C1=O MCULE-3705061855 [0,2,0,0,0,0|1,0,0]=3 76 B20R3.14960938 NN1C(=O)C2=CC=C(C3=C(C=CC(=C23)C1=O)Cl)Cl MCULE-6410941086 [0,2,0,0,0,0|1,0,0]=3 77 B20R3.14960938 O=C1C2=CC=C(C3=C(C=CC(=C23)C(=O)N1O)Cl)Cl MCULE-3540489383 [0,2,0,0,0,0|1,0,0]=3 78 B20R3.61803663 CN1C(=O)C2=CC(=C(C3=CC=CC(=C23)C1=O)Br)N MCULE-2909698196 [0,2,0,0,0,0|1,0,0]=3 79 B20R4.23100332 O=C1NC(=O)C2=CC=C3CCC4=CC=C1C2=C34 MCULE-3218070747 [0,1,0,1,0,0|1,0,0]=3 80 B20R4.23100332 O=C1OC(=O)C2=C3C1=CC=C4C3=C(CC4)C=C2 MCULE-3166218777 [0,1,0,1,0,0|2,0,0]=4 81 B16R3.51217 BrC1=C(C2=CC=CC3=C2C1=CC=C3)Br MCULE-1067240502 [1,0,0,0,1,0|2,0,0]=4 82 B16R3.51217 CN1C(=O)C2=CC=CC3=C2C1=CC=C3 MCULE-2773975847 [1,0,0,0,1,0|2,0,0]=4 83 B16R3.51217 O=C1C(=O)C2=C3C1=CC=CC3=CC=C2 MCULE-7392537942 [1,0,0,0,1,0|0,0,0]=2 84 B16R3.29373 NC1=C2C=CC=C3C2=C(NC3=O)C=C1 MCULE-4088726219 [1,0,0,0,1,0|0,0,0]=2 85 B16R3.29373 NC1=C2C=CC=C3C2=C(NC3=O)C=C1 MCULE-7281153798 [1,0,0,0,1,0|0,0,0]=2 86 B16R3.29373 O=C1NC2=C3C1=CC=CC3=C(C=C2)I MCULE-3300097947 [1,0,0,0,1,0|1,0,0]=3 87 B16R3.29373 O=C1NC2=CC=C(C3=C2C1=CC=C3)Br MCULE-4164853077 [1,0,0,0,1,0|1,0,0]=3 88 B16R3.29373 O=C1NC2=CC=C(C3=C2C1=CC=C3)Cl MCULE-3919477573 [1,0,0,0,1,0|1,0,0]=3 89 B16R3.29373 O=C1SC2=C3C1=CC=CC3=C(C=C2)Br MCULE-4233020007 [1,0,0,0,1,0|2,0,0]=4