0 B20R3.2040304 BrCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-9857008045 [1,0,0,0,0,0|1,0,1]=3 1 B20R3.2040304 C=COCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-6401598430 [1,0,0,0,0,0|2,0,0]=3 2 B20R3.2040304 CC=COCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-6199512604 [1,0,0,0,0,0|2,0,1]=4 3 B20R3.2040304 CCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8970752658 [1,0,0,0,0,0|1,0,1]=3 4 B20R3.2040304 CNCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9675162505 [1,0,0,0,0,0|2,0,0]=3 5 B20R3.2040304 ClCCOCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-8125431507 [1,0,0,0,0,0|2,0,1]=4 6 B22R3.12550 CC(=O)OCCN1C2=C(C=CC=C2)C3=C1C=CC(=C3)Cl MCULE-8796845713 [0,1,0,0,0,0|2,0,0]=3 7 B22R3.16272594 C=CC(=O)OCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-3996885183 [0,1,0,0,0,0|2,0,0]=3 8 B22R3.16272594 O=C(CCl)OCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-3268984642 [0,1,0,0,0,0|2,0,0]=3 9 B22R3.41064905 CN(C)CC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1314077127 [0,1,0,0,0,0|3,0,0]=4 10 B22R3.219953434 O=P(O)(O)CCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-4152549278 [0,1,0,0,0,0|1,0,0]=2 11 B20R2.10592 CC(=O)NCCOC1=C(C=CC=C1)C2=CC=CC=C2 MCULE-6144175781 [0,0,1,0,0,0|3,0,0]=4 12 B20R2.10592 N=C(N)CCCOC1=C(C=CC=C1)C2=CC=CC=C2 MCULE-4117473249 [0,0,1,0,0,0|3,0,0]=4 13 B20R2.10592 N=C(N)CCCOC1=C(C=CC=C1)C2=CC=CC=C2 MCULE-6043183899 [0,0,1,0,0,0|3,0,0]=4 14 B20R2.10592 O=C(O)CCCOC1=CC=CC=C1C2=CC=CC=C2 MCULE-7215217012 [0,0,1,0,0,0|1,0,0]=2 15 B20R2.10799 CC(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7963537969 [0,0,1,0,0,0|3,0,0]=4 16 B20R2.10799 O=C(O)CCCN(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6954649169 [0,0,1,0,0,0|0,0,0]=1 17 B20R2.10799 O=C(O)CCCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6124995173 [0,0,1,0,0,0|0,1,0]=2 18 B20R2.10799 O=C(O)CCSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7721967451 [0,0,1,0,0,0|2,0,0]=3 19 B20R3.651490 CC(=CCN1C2=C(C=CC=C2)C3=C1C=CC=C3)Cl MCULE-5123908843 [0,0,0,0,1,0|2,0,1]=4 20 B20R3.651490 CC(=O)OCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-8986014385 [0,0,0,0,1,0|2,0,0]=3 21 B20R3.651490 CC(C)CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-7795154777 [0,0,0,0,1,0|2,0,1]=4 22 B20R3.651490 NC(=O)CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9200050961 [0,0,0,0,1,0|1,0,0]=2 23 B20R3.651490 NC(=O)OCC1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1760734726 [0,0,0,0,1,0|3,0,0]=4 24 B20R3.651490 O=C(Cl)OCC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-4584551790 [0,0,0,0,1,0|3,0,0]=4 25 B20R3.651490 O=C(O)CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-7997310077 [0,0,0,0,1,0|0,0,0]=1 26 B20R3.651490 O=P([O-])CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1002405345 [0,0,0,0,1,0|1,0,1]=3 27 B20R3.651490 O=P([O-])CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-5786708867 [0,0,0,0,1,0|1,0,1]=3 28 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2454310422 [0,0,0,0,0,1|3,0,0]=4 29 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-8672883746 [0,0,0,0,0,1|3,0,0]=4 30 B22R3.16182945 O=C(O)CCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9384223189 [0,0,0,0,0,1|0,0,0]=1 31 B22R3.16182945 O=C(O)CCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-3317423731 [0,0,0,0,0,1|2,0,0]=3 32 B22R3.16182945 O=C(O)CCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-4227355019 [0,0,0,0,0,1|2,0,0]=3 33 B22R3.16182945 O=C(O)COCC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-5109516507 [0,0,0,0,0,1|2,0,0]=3 34 B19R3.223646 BrCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2237750727 [2,0,0,0,0,0|1,0,0]=3 35 B19R3.223646 CCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-5790669497 [2,0,0,0,0,0|0,0,1]=3 36 B19R3.223646 CCOCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-5224304020 [2,0,0,0,0,0|1,0,1]=4 37 B19R3.223646 N#CCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-5905138412 [2,0,0,0,0,0|1,0,1]=4 38 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-2143522515 [2,0,0,0,0,0|1,0,0]=3 39 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7991975100 [2,0,0,0,0,0|1,0,0]=3 40 B21R2.12962 O=C(O)CCC(=O)NC1=C(C=CC=C1)C2=CC=CC=C2 MCULE-6968002087 [0,1,1,0,0,0|0,0,1]=3 41 B21R2.21291 COC(=O)CCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1038034977 [0,1,1,0,0,0|2,0,0]=4 42 B21R2.21291 COC(=O)NCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4341166410 [0,1,1,0,0,0|2,0,0]=4 43 B21R2.32761 N[C@@H](CSC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O MCULE-2139028628 [0,1,1,0,0,0|2,0,0]=4 44 B21R2.32761 N[C@@H](CSC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O MCULE-8567580968 [0,1,1,0,0,0|2,0,0]=4 45 B21R2.32761 N[C@H](CSC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O MCULE-9058424929 [0,1,1,0,0,0|2,0,0]=4 46 B21R2.252285 O=C(O)CCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6410569129 [0,1,1,0,0,0|0,1,0]=3 47 B21R2.402445 O=C(O)CCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4308559553 [0,1,1,0,0,0|0,0,1]=3 48 B21R3.2451468 C=COCCN1C2=C(C=CC=C2)C3=C1C=CC(=C3)Br MCULE-6343468848 [1,1,0,0,0,0|2,0,0]=4 49 B21R3.3772129 C=CCOCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9614025252 [1,1,0,0,0,0|1,0,0]=3 50 B21R3.3772129 CCCCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9924214950 [1,1,0,0,0,0|1,0,1]=4 51 B21R3.3772129 OCCOCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1021109711 [1,1,0,0,0,0|0,0,1]=3 52 B21R3.3772129 SCCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-1646213394 [1,1,0,0,0,0|0,1,1]=4 53 B21R3.8487692 CNCC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1572974212 [1,1,0,0,0,0|2,0,0]=4 54 B21R3.8487692 COCC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2001897382 [1,1,0,0,0,0|2,0,0]=4 55 B21R3.9552478 O=C(CCN1C2=C(C=CC=C2)C3=C1C=CC=C3)NO MCULE-5937184082 [1,1,0,0,0,0|1,0,1]=4 56 B21R3.8630 O=C(O)CCN1C2=CC=C(C=C2C3=C1C=CC=C3)I MCULE-6876560028 [0,1,0,0,1,0|0,0,0]=2 57 B21R3.14721492 O=P(O)(O)CCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-8269538080 [0,1,0,0,1,0|1,0,0]=3 58 B23R3.151415612 NC(CSCC1C2=C(C=CC=C2)C3=C1C=CC=C3)C(=O)O MCULE-5586750909 [0,1,0,0,0,1|1,0,0]=3 59 B23R3.151415612 NC(CSCC1C2=C(C=CC=C2)C3=C1C=CC=C3)C(=O)O MCULE-8722471234 [0,1,0,0,0,1|1,0,0]=3 60 B23R3.151415612 N[C@@H](CSCC1C2=C(C=CC=C2)C3=C1C=CC=C3)C(=O)O MCULE-4602980836 [0,1,0,0,0,1|1,0,0]=3 61 B23R3.151415612 N[C@@H](CSCC1C2=C(C=CC=C2)C3=C1C=CC=C3)C(=O)O MCULE-5397328093 [0,1,0,0,0,1|1,0,0]=3 62 B23R3.151415612 N[C@@H](CSCC1C2=C(C=CC=C2)C3=C1C=CC=C3)C(=O)O MCULE-7470934175 [0,1,0,0,0,1|1,0,0]=3 63 B23R3.151415612 N[C@@H](CSCC1C2=C(C=CC=C2)C3=C1C=CC=C3)C(=O)O MCULE-7501416496 [0,1,0,0,0,1|1,0,0]=3 64 B23R3.151415612 N[C@H](CSCC1C2=CC=CC=C2C3=C1C=CC=C3)C(=O)O MCULE-5638917879 [0,1,0,0,0,1|1,0,0]=3 65 B23R3.41949547 O=C(O)CCC(=O)C1=CC2=CC=CC=C2C3=CC=CC=C13 MCULE-6882904077 [0,1,0,0,0,1|1,0,1]=4 66 B23R3.26475393 COC(=O)CCCC1=C2C=CC=CC2=NC3=C1C=CC=C3 MCULE-4504189922 [0,1,0,0,0,1|1,0,0]=3 67 B23R3.434039265 O=S(=O)(O)CCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9576692054 [0,1,0,0,0,1|1,0,0]=3 68 B23R3.434039265 O=S(=O)([O-])CCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-5038681714 [0,1,0,0,0,1|1,0,1]=4 69 B23R3.8317244 CC(=O)OCCN1C2=C(C=C(C=C2)Cl)C3=C1C=CC(=C3)Cl MCULE-5154696705 [0,2,0,0,0,0|2,0,0]=4 70 B21R4.8321968 NC(=O)C1CC12C3=CC=CC=C3C4=C2C=CC=C4 MCULE-6212827020 [0,0,0,1,1,0|2,0,0]=4 71 B23R4.1781969 CC1COC(O1)CN2C3=C(C=CC=C3)C4=C2C=CC=C4 MCULE-7198415093 [0,0,0,1,0,1|1,0,1]=4 72 B23R4.1781969 O=C1NCC(O1)CN2C3=C(C=CC=C3)C4=C2C=CC=C4 MCULE-9710113963 [0,0,0,1,0,1|0,0,0]=2 73 B23R4.1781969 O=C1OCC(O1)CN2C3=C(C=CC=C3)C4=C2C=CC=C4 MCULE-7722802857 [0,0,0,1,0,1|0,0,0]=2 74 B23R4.290685694 CC(=O)N1CCN2C3=C(C=C(C=C3)C)C4=C2C1=CC=C4 MCULE-2494358819 [0,1,0,1,0,0|2,0,0]=4 75 B19R2.8685 O=C(O)CCOC1=C(C=CC=C1)C2=CC=CC=C2 MCULE-5148432258 [0,0,1,0,1,0|1,0,0]=3 76 B19R2.13577 O=C(O)CC=C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7732850952 [0,0,1,0,1,0|1,0,1]=4 77 B19R2.13577 O=C(O)CCP(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1680052976 [0,0,1,0,1,0|0,1,0]=3 78 B19R2.13577 O=C(O)CNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3672251986 [0,0,1,0,1,0|2,0,0]=4 79 B19R2.13577 O=C(O)CNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9604746423 [0,0,1,0,1,0|2,0,0]=4 80 B19R2.13577 O=C(O)CSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7142155605 [0,0,1,0,1,0|2,0,0]=4 81 B19R3.631815 CC(O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9930268097 [0,0,0,0,2,0|1,0,1]=4 82 B19R3.631815 NC(=O)CN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2507816423 [0,0,0,0,2,0|1,0,0]=3 83 B19R3.631815 O=C(O)C=C1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-3730132567 [0,0,0,0,2,0|1,0,1]=4 84 B19R3.631815 O=C(O)CC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-9181412304 [0,0,0,0,2,0|1,0,0]=3 85 B19R3.631815 O=C(O)CN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7359951977 [0,0,0,0,2,0|0,0,0]=2 86 B21R2.12898 NC(=O)CNCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5696570095 [0,0,1,0,0,1|2,0,0]=4 87 B21R2.12898 NC(=O)CNCCC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7890322593 [0,0,1,0,0,1|2,0,0]=4 88 B21R2.12898 O=C(O)CCCC=C(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3171430707 [0,0,1,0,0,1|1,0,0]=3 89 B21R3.8069667 CNCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2846422713 [1,0,0,0,0,1|2,0,0]=4 90 B21R3.8069667 NCCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4965768353 [1,0,0,0,0,1|1,0,1]=4 91 B21R3.7877738 O=C(O)C#CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9474851453 [0,0,0,0,1,1|0,0,2]=4 92 B21R3.7877738 O=C(O)CCC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-6469261052 [0,0,0,0,1,1|1,0,0]=3 93 B21R3.7877738 O=C(O)CCC1=C2C=CC=CC2=NC3=C1C=CC=C3 MCULE-8050598620 [0,0,0,0,1,1|1,0,0]=3 94 B21R3.7877738 O=C(O)CCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5383919490 [0,0,0,0,1,1|0,0,0]=2 95 B21R3.7877738 O=C(O)CCN1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-4151482205 [0,0,0,0,1,1|0,0,0]=2 96 B21R3.7877738 O=C(O)CNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-2970726888 [0,0,0,0,1,1|2,0,0]=4 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