0 B17R2.3417 CC1=C(C=CC=C1)C(=O)NC2=CC=CC=C2 MCULE-1762893185 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.3417 CC1=C(OCCS1)C(=O)NC2=CC=CC=C2 MCULE-7477779736 [0,0,0,0,0,0|0,2,0]=2 2 B17R2.3417 CC1=C(SCCO1)C(=O)NC2=CC=CC=C2 MCULE-1167484479 [0,0,0,0,0,0|0,0,0]=0 3 B17R2.3417 CC1CCCCN1C(=O)NC2=CC=CC=C2 MCULE-5313599517 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.3417 CC1OCCSC1C(=O)NC2=CC=CC=C2 MCULE-7286562784 [0,0,0,0,0,0|0,0,2]=2 5 B16R2.71 O=C1CCCCC1=CNC2=CC=CC=C2 MCULE-2990209582 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.88 O=C(NC1=CC=CC=C1)C2=NCCCN2 MCULE-2012040683 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.88 O=C(NC1=CC=CC=C1)C2COCCN2 MCULE-6954186401 [1,0,0,0,0,0|1,0,2]=4 8 B18R2.6485 CC1=C(S(=O)CCO1)C(=O)NC2=CC=CC=C2 MCULE-6665914368 [0,1,0,0,0,0|0,0,1]=2 9 B18R2.9218 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)F MCULE-9475734635 [0,1,0,0,0,0|0,0,0]=1 10 B16R1.693 CCCCCC=CC(=O)NC1=CC=CC=C1 MCULE-2780837983 [0,0,1,0,0,0|2,0,1]=4 11 B18R3.111 O=C1C2=C(CCCC2)NN1C3=CC=CC=C3 MCULE-7535858697 [0,0,0,1,0,0|3,0,0]=4 12 B16R2.3005 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2 MCULE-3624819589 [0,0,0,0,1,0|0,0,2]=3 13 B16R2.3005 CC1=C(C=CO1)C(=O)NC2=CC=NC=C2 MCULE-2533431060 [0,0,0,0,1,0|1,0,2]=4 14 B16R2.3005 CC1=C(C=CO1)C(=O)NC2=CN=CC=C2 MCULE-4319147125 [0,0,0,0,1,0|1,0,2]=4 15 B16R2.3005 CC1=C(C=NO1)C(=S)NC2=CC=CC=C2 MCULE-3089520311 [0,0,0,0,1,0|1,1,1]=4 16 B16R2.3005 CC1=C(OC=C1)C(=O)NC2=CC=CC=C2 MCULE-4986788674 [0,0,0,0,1,0|0,1,2]=4 17 B16R2.3005 CC1=C(SC=C1)C(=O)CC2=CC=CC=C2 MCULE-6722926592 [0,0,0,0,1,0|1,0,2]=4 18 B16R2.3005 CC1=C(SN=N1)C(=O)NC2=CC=CC=C2 MCULE-5675945805 [0,0,0,0,1,0|2,0,0]=3 19 B16R2.3005 CC1=C(SN=N1)C(=O)NC2=CC=CN=C2 MCULE-1027158143 [0,0,0,0,1,0|3,0,0]=4 20 B16R2.3005 CC1=C(SN=N1)C(=O)NC2=CC=NC=C2 MCULE-1127857829 [0,0,0,0,1,0|3,0,0]=4 21 B16R2.3005 CC1=C(SN=N1)C(=O)NC2=NC=CC=C2 MCULE-7571134716 [0,0,0,0,1,0|3,0,0]=4 22 B16R2.3005 CC1SCCN1C(=O)NC2=CC=CC=C2 MCULE-1141917371 [0,0,0,0,1,0|1,1,1]=4 23 B16R2.3005 CN1CCCC1C(=O)NC2=CC=CC=C2 MCULE-2621757347 [0,0,0,0,1,0|2,0,1]=4 24 B16R2.3005 C[NH+]1CCCC1C(=O)NC2=CC=CC=C2 MCULE-8706066579 [0,0,0,0,1,0|2,0,1]=4 25 B16R2.3005 O=C(CC1=CC=CC=C1)C2CCOC2=O MCULE-6938041873 [0,0,0,0,1,0|2,0,1]=4 26 B16R2.3005 O=C(NC1=CC=CC=C1)C2CCOC2=O MCULE-8777955482 [0,0,0,0,1,0|1,0,1]=3 27 B16R2.3005 O=C1CCCC1C(=O)NC2=CC=CC=C2 MCULE-2913086832 [0,0,0,0,1,0|2,0,1]=4 28 B18R2.3983 O=C(CC1SCCNC1=O)NC2=CC=CC=C2 MCULE-1002205871 [0,0,0,0,0,1|2,0,1]=4 29 B15R1.83 COCCCNC(=O)NC1=CC=CC=C1 MCULE-5432529980 [1,0,1,0,0,0|2,0,0]=4 30 B15R1.551 O=C(NCCO)C(=O)NC1=CC=CC=C1 MCULE-7031025387 [1,0,1,0,0,0|2,0,0]=4 31 B15R1.809 CCOC(=O)/C=C(\C)/NC1=CC=CC=C1 MCULE-2659402451 [1,0,1,0,0,0|2,0,0]=4 32 B15R1.809 CCOC(=O)C=C(C)NC1=CC=CC=C1 MCULE-1607374035 [1,0,1,0,0,0|2,0,0]=4 33 B15R1.809 CCOC(=O)CC(=O)NC1=CC=CC=C1 MCULE-1285432623 [1,0,1,0,0,0|1,0,1]=4 34 B15R1.1289 CCN(CCO)C(=O)NC1=CC=CC=C1 MCULE-9200336827 [1,0,1,0,0,0|1,0,1]=4 35 B15R1.4532 CCC(C(=O)C)C(=O)NC1=CC=CC=C1 MCULE-5225461038 [1,0,1,0,0,0|0,0,2]=4 36 B17R1.1448 C=COCCNC(=O)C(=O)NC1=CC=CC=C1 MCULE-1501559693 [0,1,1,0,0,0|1,0,1]=4 37 B17R2.209 CC1=CC=C(C=C1)NC(=O)C2=CSCCO2 MCULE-6995698992 [1,1,0,0,0,0|0,2,0]=4 38 B17R2.484 CC(=C1CCOC1=O)NC2=CC=C(C=C2)Cl MCULE-7848932228 [0,1,0,0,1,0|2,0,0]=4 39 B17R2.484 CC(=C1CCOC1=O)NC2=CC=C(C=C2)F MCULE-1221869879 [0,1,0,0,1,0|2,0,0]=4 40 B17R2.484 CC(=C1CCOC1=O)NC2=CC=C(C=C2)N MCULE-9319563867 [0,1,0,0,1,0|2,0,0]=4 41 B17R2.484 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)Br MCULE-2617263982 [0,1,0,0,1,0|0,0,2]=4 42 B17R2.484 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)Cl MCULE-1576533258 [0,1,0,0,1,0|0,0,2]=4 43 B17R2.484 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)F MCULE-4839363781 [0,1,0,0,1,0|0,0,2]=4 44 B17R2.484 CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)I MCULE-9521401832 [0,1,0,0,1,0|0,0,2]=4 45 B17R2.484 CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)I MCULE-7111571203 [0,1,0,0,1,0|1,0,1]=4 46 B17R2.484 CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)N MCULE-4265726088 [0,1,0,0,1,0|1,0,1]=4 47 B17R2.484 CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)N MCULE-7507519306 [0,1,0,0,1,0|1,0,1]=4 48 B17R2.484 CC1=C(SC=C1)C(=O)NC2=CC=C(C=C2)O MCULE-7971576594 [0,1,0,0,1,0|0,0,2]=4 49 B17R2.484 CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)Br MCULE-5176803986 [0,1,0,0,1,0|2,0,0]=4 50 B17R2.484 CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)Cl MCULE-4077212070 [0,1,0,0,1,0|2,0,0]=4 51 B17R2.484 CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)F MCULE-5284256460 [0,1,0,0,1,0|2,0,0]=4 52 B17R2.484 CC1=CC=C(C=C1)NC(=C2CCOC2=O)C MCULE-9733745376 [0,1,0,0,1,0|2,0,0]=4 53 B17R2.484 CC1=CC=C(C=C1)NC(=O)C2=C(N=NS2)C MCULE-1555689792 [0,1,0,0,1,0|2,0,0]=4 54 B17R2.484 O=C(NC1=CC=C(C=C1)F)C2CCOC2=O MCULE-6220043193 [0,1,0,0,1,0|1,0,1]=4 55 B17R2.3343 CC1=C(SC(=N1)N)C(=O)NC2=CC=CC=C2 MCULE-5277876830 [0,1,0,0,1,0|1,0,1]=4 56 B17R2.3343 CC1=C(SC(=N1)N)C(=O)NC2=CC=CC=C2 MCULE-6488780453 [0,1,0,0,1,0|1,0,1]=4 57 B17R2.3343 CC1=CC(=C(O1)C)C(=O)NC2=CC=CC=C2 MCULE-4332397900 [0,1,0,0,1,0|0,0,2]=4 58 B17R2.3343 CC1=CC(=C(S1)C(=O)NC2=CC=CC=C2)C MCULE-1349217235 [0,1,0,0,1,0|0,0,2]=4 59 B17R2.3343 CC1=NC(=C(O1)C)C(=O)NC2=CC=CC=C2 MCULE-2659384208 [0,1,0,0,1,0|1,0,1]=4 60 B17R2.3343 CC1=NC(=C(S1)C(=O)NC2=CC=CC=C2)C MCULE-4843023978 [0,1,0,0,1,0|1,0,1]=4 61 B17R2.3343 CC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 MCULE-7568198529 [0,1,0,0,1,0|1,0,1]=4 62 B17R2.3517 CC1=C(SN=N1)C(=O)N(C)C2=CC=CC=C2 MCULE-6752842335 [0,1,0,0,1,0|2,0,0]=4 63 B17R2.8669 CC1=COC(=C1C(=O)NC2=CC=CC=C2)C MCULE-9437571799 [0,1,0,0,1,0|0,0,2]=4 64 B17R2.8669 CC1=NOC(=C1C(=O)NC2=CC=CC=C2)C MCULE-2030142378 [0,1,0,0,1,0|1,0,1]=4 65 B17R2.20534 CC(=C1CCOC1=O)NC2=C(C=CC=C2)F MCULE-5366360269 [0,1,0,0,1,0|2,0,0]=4 66 B17R2.20534 CC1=C(C=CC=C1)NC(=C2CCOC2=O)C MCULE-2903739294 [0,1,0,0,1,0|2,0,0]=4 67 B17R2.20534 CC1=C(C=CO1)C(=O)NC2=C(C=CC=C2)I MCULE-5951549069 [0,1,0,0,1,0|0,0,2]=4 68 B17R2.20534 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2Br MCULE-8113227414 [0,1,0,0,1,0|0,0,2]=4 69 B17R2.20534 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2Cl MCULE-2930879591 [0,1,0,0,1,0|0,0,2]=4 70 B17R2.20534 CC1=C(C=CO1)C(=O)NC2=CC=CC=C2F MCULE-2191235117 [0,1,0,0,1,0|0,0,2]=4 71 B17R2.20534 CC1=C(SN=N1)C(=O)NC2=C(C=CC=C2)Cl MCULE-4847308616 [0,1,0,0,1,0|2,0,0]=4 72 B17R2.20534 CC1=C(SN=N1)C(=O)NC2=CC=CC=C2Br MCULE-1175633466 [0,1,0,0,1,0|2,0,0]=4 73 B17R2.20534 CC1=C(SN=N1)C(=O)NC2=CC=CC=C2F MCULE-1043541838 [0,1,0,0,1,0|2,0,0]=4 74 B17R2.20534 CC1=CC=CC=C1NC(=O)C2=C(N=NS2)C MCULE-2463369085 [0,1,0,0,1,0|2,0,0]=4 75 B17R2.41874 CC1=C(C=CO1)C(=O)NC2=CC(=CC=C2)O MCULE-2968517082 [0,1,0,0,1,0|0,0,2]=4 76 B17R2.41874 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)Br MCULE-7587868795 [0,1,0,0,1,0|0,0,2]=4 77 B17R2.41874 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)Cl MCULE-4138069108 [0,1,0,0,1,0|0,0,2]=4 78 B17R2.41874 CC1=C(C=CO1)C(=O)NC2=CC=CC(=C2)F MCULE-2148303874 [0,1,0,0,1,0|0,0,2]=4 79 B17R2.41874 CC1=C(C=NO1)C(=O)NC2=CC(=CC=C2)N MCULE-2733417854 [0,1,0,0,1,0|1,0,1]=4 80 B17R2.41874 CC1=C(C=NO1)C(=O)NC2=CC(=CC=C2)N MCULE-8962389991 [0,1,0,0,1,0|1,0,1]=4 81 B17R2.41874 CC1=C(SC=C1)C(=O)NC2=CC=CC(=C2)Br MCULE-3157006249 [0,1,0,0,1,0|0,0,2]=4 82 B17R2.41874 CC1=C(SC=C1)C(=O)NC2=CC=CC(=C2)Cl MCULE-1092383120 [0,1,0,0,1,0|0,0,2]=4 83 B17R2.41874 CC1=C(SN=N1)C(=O)NC2=CC(=CC=C2)N MCULE-7770189810 [0,1,0,0,1,0|2,0,0]=4 84 B17R2.41874 CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)Cl MCULE-9312592573 [0,1,0,0,1,0|2,0,0]=4 85 B17R2.41874 CC1=CC(=CC=C1)NC(=O)C2=C(N=NS2)C MCULE-6151742936 [0,1,0,0,1,0|2,0,0]=4 86 B19R2.50154 CC1=CC=CN=C1CNC(=O)C2=C(OCCO2)C MCULE-5653808058 [0,1,0,0,0,1|1,1,0]=4 87 B19R2.8825 O=C(O)C1=C(SCCS1)C(=O)NC2=CC=CC=C2 MCULE-2286186271 [0,2,0,0,0,0|0,1,1]=4 88 B19R2.101153 CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2 MCULE-8801750656 [0,2,0,0,0,0|0,0,1]=3 89 B19R2.103395 CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2Cl)Cl MCULE-8750750084 [0,2,0,0,0,0|0,0,0]=2 90 B19R2.28949 COC1=CC=CC=C1NC(=O)C2=C(OCCS2)C MCULE-5858323756 [0,2,0,0,0,0|0,0,0]=2 91 B17R2.50008 CCOC(=O)C1=C(NC2=C(S1)C=CC=C2)C MCULE-4562267237 [0,0,1,1,0,0|2,0,0]=4 92 B17R2.50008 CCOC(=O)C1=CC2=C(C=CC=C2)NC1=O MCULE-9937289633 [0,0,1,1,0,0|2,0,0]=4 93 B17R2.50008 CCOC(=O)C1=NC2=CC=CC=C2NC1=O MCULE-4997296410 [0,0,1,1,0,0|2,0,0]=4 94 B17R2.50008 CCOC(=O)C1SC2=CC=CC=C2NC1=O MCULE-1441631510 [0,0,1,1,0,0|1,0,1]=4 95 B17R2.50008 CCOC(=O)C1SC2=CC=CC=C2NC1=O MCULE-2534449075 [0,0,1,1,0,0|1,0,1]=4 96 B17R2.17960 O=C1NC2=C(C=CC=C2)C(=C1SCCO)O MCULE-8524662819 [0,0,1,1,0,0|1,0,0]=3 97 B17R2.135589 CNC1=C(N(N(C1=O)C2=CC=CC=C2)C)C MCULE-6001312583 [0,0,1,1,0,0|2,0,0]=4 98 B17R2.135589 CNC1=C(N(N(C1=O)C2=CC=CC=C2)C)C MCULE-6328142081 [0,0,1,1,0,0|2,0,0]=4 99 B17R3.54615 O=C1NC2=CC=CC=C2C3=C1CCCC3 MCULE-4838075208 [1,0,0,1,0,0|2,0,0]=4 100 B17R3.35227 O=C1C2=C(C=CC=C2)NC3=C1CCCO3 MCULE-7988507370 [0,0,0,1,1,0|2,0,0]=4 101 B19R3.6049 O=C1C2=C(SCCS2)C(=O)N1C3=CC=CC=C3 MCULE-1963567144 [0,1,0,1,0,0|0,1,1]=4 102 B15R2.64 O=C(NC1=CC=CC=C1)C2=CC=CS2 MCULE-4836422788 [1,0,0,0,1,0|0,0,2]=4 103 B15R2.64 O=C(NC1=CC=CC=C1)C2=NCCN2 MCULE-8462036227 [1,0,0,0,1,0|2,0,0]=4 104 B15R2.64 O=C(NC1=CC=CC=C1)C2CCCO2 MCULE-9345213946 [1,0,0,0,1,0|1,0,1]=4 105 B15R2.2226 O=C(C1=CC=CC=C1)C2=CCCCC2 MCULE-7862190435 [1,0,0,0,1,0|2,0,0]=4 106 B15R2.395 O=C1OCCC1C(=O)C2=CC=CC=C2 MCULE-9034427859 [0,0,0,0,2,0|1,0,1]=4 107 B17R2.3530 CC1=C(C=CO1)C(=O)NCC2=CC=CC=C2 MCULE-7276989780 [0,0,0,0,1,1|0,0,2]=4 108 B17R2.3530 CC1=C(CCO1)C(=O)OCC2=CC=CC=C2 MCULE-4006113756 [0,0,0,0,1,1|1,0,0]=3 109 B17R2.3530 CC1=C(SN=N1)C(=O)NCC2=CC=CC=C2 MCULE-4284172879 [0,0,0,0,1,1|2,0,0]=4