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CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C13 MCULE-8541827584 [0,0,0,0,0,0|0,0,2]=2 11 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C13 MCULE-4730330659 [0,0,0,0,0,0|1,0,0]=1 12 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2446742562 [0,0,0,0,0,0|1,0,0]=1 13 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-9679646305 [0,0,0,0,0,0|1,0,0]=1 14 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6147328510 [0,0,0,0,0,0|1,0,2]=3 15 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-8333525450 [0,0,0,0,0,0|1,0,2]=3 16 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 MCULE-3586093892 [0,0,0,0,0,0|1,0,3]=4 17 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 MCULE-8657281348 [0,0,0,0,0,0|1,0,3]=4 18 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5997199711 [0,0,0,0,0,0|1,0,1]=2 19 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-9471074673 [0,0,0,0,0,0|1,0,1]=2 20 B23R3.26139327 CN(C)CCOC1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 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31 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-2007884221 [1,0,0,0,0,0|1,0,0]=2 32 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-4699615309 [1,0,0,0,0,0|1,0,0]=2 33 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6221890858 [1,0,0,0,0,0|1,0,0]=2 34 B22R3.12627361 CNCCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2397884474 [1,0,0,0,0,0|1,0,0]=2 35 B22R3.12627361 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5904286906 [1,0,0,0,0,0|1,0,1]=3 36 B22R3.12627361 C[NH2+]CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-1872169026 [1,0,0,0,0,0|1,0,2]=4 37 B24R3.115675198 CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C MCULE-6027987560 [0,1,0,0,0,0|0,0,2]=3 38 B24R3.115675198 CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C MCULE-7070824573 [0,1,0,0,0,0|0,0,2]=3 39 B24R3.115675198 CC(CN(C)C)CN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-7231868135 [0,1,0,0,0,0|1,0,1]=3 40 B24R3.115675198 CC(CN(C)C)CN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-1241711455 [0,1,0,0,0,0|1,0,1]=3 41 B24R3.115675198 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[1,0,1,0,0,0|1,0,1]=4 62 B21R2.205989 CC1=CC=CC=C1C(OCCN(C)C)C2=CC=CC=C2 MCULE-7320950210 [1,0,1,0,0,0|1,0,1]=4 63 B21R3.590114 NCCC=C1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-9431986659 [2,0,0,0,0,0|0,0,0]=2 64 B23R2.472034 CN(C)CCNC(=O)C1=CC=CC=C1SCC2=CC=CC=C2 MCULE-3912027356 [0,1,1,0,0,0|2,0,0]=4 65 B23R3.21774393 CNCC(C)CN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-4655348328 [1,1,0,0,0,0|1,0,1]=4 66 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6661788203 [1,1,0,0,0,0|1,0,1]=4 67 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-7878739491 [1,1,0,0,0,0|1,0,1]=4 68 B23R3.153679454 CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C13)O MCULE-2317296049 [1,1,0,0,0,0|0,0,0]=2 69 B23R3.153679454 CNCCC=C1C2=C(C=CC=C2)CC(C3=C1C=CC=C3)O MCULE-5833278645 [1,1,0,0,0,0|0,0,0]=2 70 B23R3.89863139 CN(C)CCC=C1C2=CC(=CC=C2CCN3C1=CC=C3)Cl MCULE-4911617616 [0,1,0,0,1,0|1,0,0]=3 71 B23R3.89863139 CN(C)CCC=C1C2=CC(=CC=C2CCN3C1=CC=C3)Cl MCULE-5943373541 [0,1,0,0,1,0|1,0,0]=3 72 B23R3.10324912 CN(C)CC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8112602039 [0,1,0,0,1,0|1,0,0]=3 73 B23R3.10324912 CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7149047798 [0,1,0,0,1,0|1,0,0]=3 74 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-4912229237 [0,1,0,0,1,0|1,0,0]=3 75 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7221241811 [0,1,0,0,1,0|1,0,0]=3 76 B23R3.41925352 CN(C)CCC(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2512233993 [0,1,0,0,1,0|2,0,0]=4 77 B25R3.72609343 CS(=O)(=O)OCCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-9970691069 [0,1,0,0,0,1|2,0,0]=4 78 B25R3.57381326 C#CCN(C)CCC=C1C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-1992947565 [0,2,0,0,0,0|1,0,0]=3 79 B25R3.57381326 C#CCN(C)CCC=C1C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-5926557876 [0,2,0,0,0,0|1,0,0]=3 80 B25R3.57381326 C=CCN(C)CCC=C1C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-2202210407 [0,2,0,0,0,0|1,0,0]=3 81 B25R3.57381326 C=CCN(C)CCC=C1C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-8235144298 [0,2,0,0,0,0|1,0,0]=3 82 B25R3.84471985 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=C(C=C3)C=O MCULE-4497041168 [0,2,0,0,0,0|1,0,0]=3 83 B25R3.84471985 CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=C(C=C13)C=O MCULE-9135944292 [0,2,0,0,0,0|1,0,0]=3 84 B25R3.84471985 CN(C)CCC=C1C2=C(C=CC=C2)CSC3=C1C=C(C=C3)C#N MCULE-2341200827 [0,2,0,0,0,0|1,0,0]=3 85 B25R3.84471985 CN(C)CCC=C1C2=C(C=CC=C2)CSC3=C1C=C(C=C3)C#N MCULE-6222540442 [0,2,0,0,0,0|1,0,0]=3 86 B25R3.84471985 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=C(C=C13)C=O MCULE-2539295585 [0,2,0,0,0,0|1,0,0]=3 87 B25R3.84471985 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=C(C=C13)C=O MCULE-7592930847 [0,2,0,0,0,0|1,0,0]=3 88 B25R3.84471985 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=C(C=C13)C#N MCULE-5467627655 [0,2,0,0,0,0|1,0,1]=4 89 B25R3.84471985 CN(C)CCCN1C2=CC=CC=C2CCC3=CC=C(C=C13)C#N MCULE-7021340652 [0,2,0,0,0,0|1,0,1]=4 90 B25R3.152452223 CN(C)CCC=C1C2=CC(=CC=C2CSC3=C1C=C(C=C3)F)F MCULE-3590687864 [0,2,0,0,0,0|1,0,0]=3 91 B25R3.152452223 CN(C)CCCN1C2=CC(=CC=C2CCC3=CC=C(C=C13)Cl)Cl MCULE-6087317313 [0,2,0,0,0,0|1,0,1]=4 92 B25R3.959874467 CN(C)CCC=C1C2=C(C=CC=C2)CS(=O)(=O)C3=C1C=CC=C3 MCULE-4070825036 [0,2,0,0,0,0|1,0,0]=3 93 B23R3.19281841 CN(C)CC/C=C\1/C=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-1604323680 [0,0,1,1,0,0|0,0,2]=4 94 B23R3.19281841 CN(C)CC/C=C\1/C=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-6022578350 [0,0,1,1,0,0|0,0,2]=4 95 B25R4.17983575 CN1CCC(=C2C3=C(C=CC=C3)CCC4=C2N=CC=C4)CC1 MCULE-6797850777 [0,1,0,1,0,0|1,0,0]=3 96 B25R4.17983575 CN1CCC(=C2C3=C(C=CC=C3)CSC4=C2C=CC=C4)CC1 MCULE-6151292886 [0,1,0,1,0,0|1,0,0]=3 97 B25R4.17983575 CN1CCC(=C2C3=CC=CC=C3C=CC4=C2C=CC=C4)CC1 MCULE-3352282545 [0,1,0,1,0,0|0,0,2]=4 98 B25R4.17983575 CN1CCC(=C2C3=CC=CC=C3CCC4=CC=CN=C24)CC1 MCULE-6046117534 [0,1,0,1,0,0|1,0,0]=3 99 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2432442328 [0,0,0,0,2,0|2,0,0]=4 100 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6877848962 [0,0,0,0,2,0|2,0,0]=4 101 B21R3.7877738 CN(C)N=CC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-5229876323 [0,0,0,0,2,0|1,0,1]=4 102 B21R3.7993561 CN(C)CC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7493922548 [0,0,0,0,2,0|1,0,1]=4 103 B21R3.7993561 CN(C)CC1C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-2746358774 [0,0,0,0,2,0|1,0,1]=4 104 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7246942383 [0,0,0,0,2,0|1,0,1]=4 105 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8156128631 [0,0,0,0,2,0|1,0,1]=4 106 B23R3.19159989 CN(C)CCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-4870762644 [0,0,0,0,1,1|1,0,1]=4