0 B16R2.2832 BrC1=NN(C=N1)CCCC2=CC=CC=C2 MCULE-9543577543 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.2832 CC1=NNC(=N1)CCCC2=CC=CC=C2 MCULE-4270537900 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2832 ClC1=NN(C=N1)CCCC2=CC=CC=C2 MCULE-3778952636 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2832 ClC1=NN(C=N1)CCCC2=CC=CC=C2 MCULE-4132869494 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.2832 NC1=CN(N=C1)CCCC2=CC=CC=C2 MCULE-8256412984 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.2832 NC1=NC(=NN1)NCCC2=CC=CC=C2 MCULE-7952217823 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 NC1=NC(=NS1)SCCC2=CC=CC=C2 MCULE-5615564704 [0,0,0,0,0,0|2,1,1]=4 7 B16R2.2832 NC1=NN(C=C1)CCCC2=CC=CC=C2 MCULE-4574836090 [0,0,0,0,0,0|2,0,1]=3 8 B16R2.2832 NC1=NN(C=C1)CCOC2=CC=CC=C2 MCULE-6862712087 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.2832 NC1=NN=C(O1)CCCC2=CC=CC=C2 MCULE-4989589792 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.2832 NC1=NN=C(S1)CCCC2=CC=CC=C2 MCULE-1674664621 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-1497422530 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-4521581871 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-4557004411 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-9496268863 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.2832 O=C1NCC(O1)COCC2=CC=CC=C2 MCULE-9640739284 [0,0,0,0,0,0|4,0,0]=4 16 B16R2.2832 O=C1OCC(O1)COCC2=CC=CC=C2 MCULE-3408027573 [0,0,0,0,0,0|3,0,0]=3 17 B15R2.2196 C1=CC=C(C=C1)CCCC2CCCN2 MCULE-2252853504 [1,0,0,0,0,0|1,0,2]=4 18 B15R2.2196 C1=CC=C(C=C1)CCCC2CCNC2 MCULE-2909548626 [1,0,0,0,0,0|2,0,1]=4 19 B15R2.2196 C1=CC=C(C=C1)CNCC2CCOC2 MCULE-1866307948 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.2196 C1=CC=C(C=C1)CNCC2CCOC2 MCULE-4208115655 [1,0,0,0,0,0|2,0,1]=4 21 B15R1.504 C=C(C)CCCCCCC1=CC=CC=C1 MCULE-4164123205 [0,0,1,0,0,0|3,0,0]=4 22 B15R1.504 O=C(O)CCCCCCC1=CC=CC=C1 MCULE-3219728847 [0,0,1,0,0,0|3,0,0]=4 23 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 MCULE-3339695532 [0,0,1,0,0,0|3,0,0]=4 24 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 MCULE-8496774056 [0,0,1,0,0,0|3,0,0]=4 25 B15R1.962 COC(=O)CCCOCC1=CC=CC=C1 MCULE-8311539212 [0,0,1,0,0,0|3,0,0]=4 26 B15R1.962 COC(=O)CCNCCC1=CC=CC=C1 MCULE-9195520763 [0,0,1,0,0,0|3,0,0]=4 27 B15R1.962 COC(=O)NCCCCC1=CC=CC=C1 MCULE-6160212054 [0,0,1,0,0,0|1,0,1]=3 28 B15R1.9084 CC(COCC1=CC=CC=C1)CC(=O)O MCULE-5531235538 [0,0,1,0,0,0|3,0,0]=4 29 B17R3.54899 O=C1CCC2(N1)CCCC3=C2C=CC=C3 MCULE-2704890525 [0,0,0,1,0,0|2,0,1]=4 30 B15R2.283 NC1=CC(=NO1)CCC2=CC=CC=C2 MCULE-2581461020 [0,0,0,0,1,0|2,0,1]=4 31 B15R2.283 NC1=NN(C=C1)CCC2=CC=CC=C2 MCULE-5871082720 [0,0,0,0,1,0|2,0,1]=4 32 B15R2.283 NC1=NN(C=N1)CCC2=CC=CC=C2 MCULE-4162033220 [0,0,0,0,1,0|2,0,1]=4 33 B15R2.283 NC1=NNC(=N1)CCC2=CC=CC=C2 MCULE-4683200245 [0,0,0,0,1,0|2,0,1]=4 34 B15R2.283 O=C1NC(CO1)CCC2=CC=CC=C2 MCULE-6273263074 [0,0,0,0,1,0|1,0,1]=3 35 B15R2.342 O=C1CCC1COCC2=CC=CC=C2 MCULE-4706736057 [0,0,0,0,1,0|3,0,0]=4 36 B15R2.617 C=C1CC(C1)COCC2=CC=CC=C2 MCULE-8813833058 [0,0,0,0,1,0|3,0,0]=4 37 B15R2.617 O=C1CC(C1)COCC2=CC=CC=C2 MCULE-9328224917 [0,0,0,0,1,0|3,0,0]=4 38 B17R2.3230 NC1=NN(C=C1)CCCOC2=CC=CC=C2 MCULE-2647645225 [0,0,0,0,0,1|2,0,1]=4 39 B17R2.5301 NC1=NC(=CC=C1)CCCC2=CC=CC=C2 MCULE-3080499713 [0,0,0,0,0,1|1,0,2]=4 40 B14R1.123 C=CCCCCCCC1=CC=CC=C1 MCULE-1323897377 [1,0,1,0,0,0|2,0,0]=4 41 B14R1.123 O=CCCCCCCC1=CC=CC=C1 MCULE-3003665955 [1,0,1,0,0,0|2,0,0]=4 42 B14R1.422 C=C(C)CCCCCC1=CC=CC=C1 MCULE-8947011291 [1,0,1,0,0,0|2,0,0]=4 43 B14R1.422 CC(=O)CCCCCC1=CC=CC=C1 MCULE-3901057427 [1,0,1,0,0,0|2,0,0]=4 44 B14R1.422 CC(=O)NCCCCC1=CC=CC=C1 MCULE-7414237851 [1,0,1,0,0,0|1,0,1]=4 45 B14R1.422 N=C(N)NCCCCC1=CC=CC=C1 MCULE-1462524594 [1,0,1,0,0,0|1,0,1]=4 46 B14R1.422 N=C(N)NCCCCC1=CC=CC=C1 MCULE-6636408352 [1,0,1,0,0,0|1,0,1]=4 47 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 MCULE-8701939268 [1,0,1,0,0,0|2,0,0]=4 48 B16R1.1635 COC(=O)C(N)CCCCC1=CC=CC=C1 MCULE-9772506600 [0,1,1,0,0,0|2,0,0]=4 49 B16R2.137 O=C1NC(CO1)CCC2=CC=C(C=C2)F MCULE-7618325601 [0,1,0,0,1,0|1,0,1]=4 50 B16R2.173257 COC(=O)N1CCCCC2=CC=CC=C12 MCULE-7045693697 [0,0,1,1,0,0|1,0,1]=4 51 B16R2.2400 O=C1NC(CC1CC2=CC=CC=C2)CO MCULE-5670578672 [0,0,1,1,0,0|1,0,1]=4 52 B16R2.2400 O=C1O[C@@H](C[C@H]1CC2=CC=CC=C2)CO MCULE-6704817535 [0,0,1,1,0,0|2,0,0]=4 53 B18R3.2910 NC1=NC(=NO1)C2CCCC3=C2C=CC=C3 MCULE-4034098017 [0,0,0,1,0,1|1,0,1]=4 54 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 MCULE-3768861727 [0,0,1,0,1,0|1,0,0]=3 55 B14R1.716 COC(=O)CCCOC1=CC=CC=C1 MCULE-8338072607 [0,0,1,0,1,0|2,0,0]=4 56 B14R1.716 COC(=O)CCCSC1=CC=CC=C1 MCULE-4192716577 [0,0,1,0,1,0|2,0,0]=4 57 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-3104170816 [0,0,1,0,1,0|2,0,0]=4 58 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-5744013357 [0,0,1,0,1,0|2,0,0]=4 59 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 MCULE-4062318692 [0,0,1,0,1,0|2,0,0]=4 60 B14R1.716 COC(=O)CNCCC1=CC=CC=C1 MCULE-9920135429 [0,0,1,0,1,0|2,0,0]=4 61 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O MCULE-1602400546 [0,0,1,0,1,0|2,0,0]=4 62 B14R1.818 CC(CCC1=CC=CC=C1)NC(=N)N MCULE-9773716893 [0,0,1,0,1,0|1,0,1]=4 63 B14R1.6449 CC(CCCC1=CC=CC=C1)C(=O)O MCULE-8066373993 [0,0,1,0,1,0|1,0,0]=3 64 B14R1.6449 CC(CCOC1=CC=CC=C1)C(=O)O MCULE-8031724019 [0,0,1,0,1,0|2,0,0]=4 65 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O MCULE-6035407655 [0,0,1,0,1,0|2,0,0]=4 66 B14R1.6449 CC(OCCC1=CC=CC=C1)C(=O)O MCULE-7296910904 [0,0,1,0,1,0|2,0,0]=4 67 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O MCULE-2071259648 [0,0,1,0,1,0|2,0,0]=4 68 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O MCULE-2259185991 [0,0,1,0,1,0|2,0,0]=4 69 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O MCULE-6744199997 [0,0,1,0,1,0|2,0,0]=4 70 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O MCULE-2756543981 [0,0,1,0,1,0|2,0,0]=4 71 B14R1.6449 N[C@@H](CCCC1=CC=CC=C1)C(=O)O MCULE-7030141620 [0,0,1,0,1,0|2,0,0]=4 72 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O MCULE-2055410722 [0,0,1,0,1,0|2,0,0]=4 73 B14R1.6449 N[C@H](CCCC1=CC=CC=C1)C(=O)O MCULE-4203953886 [0,0,1,0,1,0|2,0,0]=4 74 B14R1.6449 O=C(O)C(O)CCCC1=CC=CC=C1 MCULE-9769828770 [0,0,1,0,1,0|2,0,0]=4 75 B14R2.3019 C1=CC=C(C=C1)COCC2COC2 MCULE-9799363615 [1,0,0,0,1,0|1,0,1]=4 76 B14R2.19 C1(COC(=O)N1)CC2=CC=CC=C2 MCULE-6384020066 [0,0,0,0,2,0|1,0,1]=4 77 B14R2.19 CC1=NC(CO1)CC2=CC=CC=C2 MCULE-3250214698 [0,0,0,0,2,0|1,0,0]=3 78 B14R2.19 O=C1CC(CO1)CC2=CC=CC=C2 MCULE-9460252061 [0,0,0,0,2,0|2,0,0]=4 79 B14R2.19 O=C1NC(CO1)CC2=CC=CC=C2 MCULE-4264667095 [0,0,0,0,2,0|1,0,1]=4 80 B14R2.19 O=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-3460265096 [0,0,0,0,2,0|1,0,1]=4 81 B14R2.19 O=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-6526627804 [0,0,0,0,2,0|1,0,1]=4 82 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-3967061410 [0,0,0,0,2,0|1,0,1]=4 83 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-5839079000 [0,0,0,0,2,0|1,0,1]=4 84 B14R2.19 S=C1NC(CO1)CC2=CC=CC=C2 MCULE-6218653245 [0,0,0,0,2,0|1,0,1]=4 85 B14R2.19 S=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-4499729230 [0,0,0,0,2,0|1,0,1]=4 86 B14R2.19 S=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-9338198213 [0,0,0,0,2,0|1,0,1]=4 87 B14R2.19 S=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-1603030546 [0,0,0,0,2,0|1,0,1]=4 88 B14R2.19 S=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-7423242801 [0,0,0,0,2,0|1,0,1]=4