0 B22R3.12627361 CNCC/C=C/1\C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-3832464125 [0,0,0,0,0,0|2,0,1]=3 1 B22R3.12627361 CNCC/C=C/1\C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-9517871447 [0,0,0,0,0,0|2,0,1]=3 2 B22R3.12627361 CNCC/C=C/1\C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-7131849468 [0,0,0,0,0,0|1,0,1]=2 3 B22R3.12627361 CNCC/C=C/1\C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-8631211577 [0,0,0,0,0,0|1,0,1]=2 4 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-2007884221 [0,0,0,0,0,0|2,0,1]=3 5 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-4699615309 [0,0,0,0,0,0|2,0,1]=3 6 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6221890858 [0,0,0,0,0,0|2,0,1]=3 7 B22R3.12627361 CNCCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2397884474 [0,0,0,0,0,0|2,0,1]=3 8 B22R3.12627361 CNCCCC1C2=CC=CC=C2C=CC3=C1C=CC=C3 MCULE-3161866738 [0,0,0,0,0,0|1,0,2]=3 9 B22R3.12627361 CNCCCC1C2=CC=CC=C2C=CC3=C1C=CC=C3 MCULE-6023848462 [0,0,0,0,0,0|1,0,2]=3 10 B22R3.12627361 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5904286906 [0,0,0,0,0,0|0,0,0]=0 11 B22R3.12627361 C[NH2+]CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-1872169026 [0,0,0,0,0,0|0,0,1]=1 12 B21R3.590114 BrCCOC1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6276027808 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.590114 NCCC=C1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-9431986659 [1,0,0,0,0,0|1,0,1]=3 14 B23R3.21774393 CCCC(=O)NN1C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-4056474792 [0,1,0,0,0,0|2,0,1]=4 15 B23R3.21774393 CNCC(C)CN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-4655348328 [0,1,0,0,0,0|0,0,0]=1 16 B23R3.26139327 CC(C)NCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-3370237095 [0,1,0,0,0,0|2,0,0]=3 17 B23R3.26139327 CC(C)NCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6732249109 [0,1,0,0,0,0|2,0,0]=3 18 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-1737040494 [0,1,0,0,0,0|2,0,1]=4 19 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-9362508867 [0,1,0,0,0,0|2,0,1]=4 20 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-7646165936 [0,1,0,0,0,0|2,0,1]=4 21 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-8218980694 [0,1,0,0,0,0|2,0,1]=4 22 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7205279069 [0,1,0,0,0,0|2,0,1]=4 23 B23R3.26139327 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-5101040536 [0,1,0,0,0,0|2,0,1]=4 24 B23R3.26139327 CN(C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-3537115467 [0,1,0,0,0,0|1,0,1]=3 25 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C13 MCULE-4730330659 [0,1,0,0,0,0|2,0,1]=4 26 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2446742562 [0,1,0,0,0,0|2,0,1]=4 27 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-9679646305 [0,1,0,0,0,0|2,0,1]=4 28 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6147328510 [0,1,0,0,0,0|2,0,0]=3 29 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-8333525450 [0,1,0,0,0,0|2,0,0]=3 30 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 MCULE-3586093892 [0,1,0,0,0,0|0,0,2]=3 31 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 MCULE-8657281348 [0,1,0,0,0,0|0,0,2]=3 32 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5997199711 [0,1,0,0,0,0|0,0,0]=1 33 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-9471074673 [0,1,0,0,0,0|0,0,0]=1 34 B23R3.26139327 CN(C)CCOC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-5492489613 [0,1,0,0,0,0|3,0,0]=4 35 B23R3.26139327 CN(C)CCSC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-2163615317 [0,1,0,0,0,0|3,0,0]=4 36 B23R3.26139327 CN(C)CCSC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7102788227 [0,1,0,0,0,0|3,0,0]=4 37 B23R3.26139327 C[NH+](C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6119641097 [0,1,0,0,0,0|1,0,2]=4 38 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6661788203 [0,1,0,0,0,0|0,0,0]=1 39 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-7878739491 [0,1,0,0,0,0|0,0,0]=1 40 B23R3.153679454 CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C13)O MCULE-2317296049 [0,1,0,0,0,0|1,0,1]=3 41 B23R3.153679454 CNCCC=C1C2=C(C=CC=C2)CC(C3=C1C=CC=C3)O MCULE-5833278645 [0,1,0,0,0,0|1,0,1]=3 42 B23R3.153679454 CNCCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C13 MCULE-6486113514 [0,1,0,0,0,0|1,0,1]=3 43 B23R3.237256451 CNCCCC1(C2=C(C=CC=C2)CSC3=C1C=CC=C3)O MCULE-9471921593 [0,1,0,0,0,0|2,0,0]=3 44 B21R3.8069667 CNCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2846422713 [0,0,0,0,1,0|1,0,0]=2 45 B21R3.8069667 NCCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4965768353 [0,0,0,0,1,0|3,0,0]=4 46 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CC=C2 MCULE-8444480942 [1,0,1,0,0,0|1,0,0]=3 47 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CC=C2 MCULE-9649127474 [1,0,1,0,0,0|1,0,0]=3 48 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CN=C2 MCULE-6186994213 [1,0,1,0,0,0|2,0,0]=4 49 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CN=C2 MCULE-9854245576 [1,0,1,0,0,0|2,0,0]=4 50 B20R2.3566 NCCCOC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-1827514536 [1,0,1,0,0,0|2,0,0]=4 51 B20R2.3566 NCCCOC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-6476408245 [1,0,1,0,0,0|2,0,0]=4 52 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-7888368317 [1,0,1,0,0,0|2,0,0]=4 53 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-8477718810 [1,0,1,0,0,0|2,0,0]=4 54 B20R3.178278 CNCC1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6826410539 [2,0,0,0,0,0|1,0,0]=3 55 B20R3.178278 OCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6146420904 [2,0,0,0,0,0|1,0,0]=3 56 B22R2.20529 CNCC(C)COC1=C(C=CC=C1)OCC2=CC=CC=C2 MCULE-3255053009 [0,1,1,0,0,0|2,0,0]=4 57 B22R2.20529 CNCC(C)COC1=C(C=CC=C1)OCC2=CC=CC=C2 MCULE-3752161280 [0,1,1,0,0,0|2,0,0]=4 58 B22R2.26914 CN(C)CCCOC1=C(C=CC=C1)OCC2=CC=CC=C2 MCULE-3364485705 [0,1,1,0,0,0|2,0,0]=4 59 B22R2.26914 CN(C)CCCOC1=C(C=CC=C1)OCC2=CC=CC=C2 MCULE-7912100228 [0,1,1,0,0,0|2,0,0]=4 60 B22R3.13446522 O=C(CCCl)N1C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-7794293226 [1,1,0,0,0,0|1,0,1]=4 61 B22R3.13809978 ClCCCN1C2=CC(=CC=C2CCC3=C1C=CC=C3)Cl MCULE-3413857766 [1,1,0,0,0,0|1,0,0]=3 62 B22R3.13809978 NCCCN1C2=CC=CC=C2CCC3=CC=C(C=C13)Cl MCULE-1731714872 [1,1,0,0,0,0|0,0,0]=2 63 B22R3.15879546 CNC(=O)CC1C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-5634075586 [1,1,0,0,0,0|1,0,1]=4 64 B22R3.15927150 CCCCCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-6374108463 [0,1,0,0,1,0|2,0,0]=4 65 B22R3.16182945 CN(C)CCC=S1C2=C(C=CC=C2)CC3=C1C=CC=C3 MCULE-2325191803 [0,1,0,0,1,0|1,0,1]=4 66 B22R3.16182945 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1N=CC=C3 MCULE-5105926538 [0,1,0,0,1,0|2,0,0]=4 67 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2454310422 [0,1,0,0,1,0|1,0,0]=3 68 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-8672883746 [0,1,0,0,1,0|1,0,0]=3 69 B24R3.115675198 CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C MCULE-6027987560 [0,2,0,0,0,0|1,0,0]=3 70 B24R3.115675198 CC(CC1C2=CC=CC=C2CCC3=CC=CC=C13)CN(C)C MCULE-7070824573 [0,2,0,0,0,0|1,0,0]=3 71 B24R3.115675198 CC(CN(C)C)CN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-7231868135 [0,2,0,0,0,0|0,0,0]=2 72 B24R3.115675198 CC(CN(C)C)CN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-1241711455 [0,2,0,0,0,0|0,0,0]=2 73 B24R3.115675198 CC(CN(C)C)CN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-8735840899 [0,2,0,0,0,0|0,0,0]=2 74 B24R3.118819978 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6443168248 [0,2,0,0,0,0|0,0,0]=2 75 B24R3.118819978 C[NH+](C)CCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6495409435 [0,2,0,0,0,0|0,0,1]=3 76 B24R3.218520876 CN(C)CCC=C1C2=C(C=CC=C2)CC(C3=C1C=CC=C3)O MCULE-8416958529 [0,2,0,0,0,0|1,0,1]=4 77 B24R3.589719615 CN(C)CCCC1(C2=CC=CC=C2CCC3=C1C=CC=C3)O MCULE-5756827617 [0,2,0,0,0,0|1,0,0]=3 78 B24R3.1505225918 CN(=O)(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-5457376293 [0,2,0,0,0,0|0,0,1]=3 79 B22R3.3018052 C1=CC=C(C=C1)COC2=CC=CC=C2OCC3CNC3 MCULE-1321043569 [0,0,1,1,0,0|2,0,0]=4 80 B22R3.3018052 C1=CC=C(C=C1)COC2=CC=CC=C2OCC3CNC3 MCULE-9074518937 [0,0,1,1,0,0|2,0,0]=4 81 B22R4.1481292 C1=CC=C2C(=C1)CCC3=C(N2CC4CO4)C=CC=C3 MCULE-3366179974 [1,0,0,1,0,0|1,0,0]=3 82 B24R4.17399619 O=C1CCCN1N2C3=C(C=CC=C3)CCC4=C2C=CC=C4 MCULE-7861744313 [0,1,0,1,0,0|2,0,0]=4 83 B24R4.6573729 C1=CC2=C(C=C1)C(C3=C(C=CC=C3)CC2)N4CCNCC4 MCULE-7604816889 [0,1,0,1,0,0|2,0,0]=4 84 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3131107288 [1,0,0,0,1,0|1,0,0]=3 85 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8866371003 [1,0,0,0,1,0|1,0,0]=3 86 B20R3.368533 NCCCN1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-4766118003 [1,0,0,0,1,0|1,0,0]=3 87 B20R3.2040304 BrCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-9857008045 [0,0,0,0,2,0|2,0,0]=4 88 B20R3.2040304 CCCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8970752658 [0,0,0,0,2,0|1,0,0]=3 89 B20R3.2040304 CNCCCN1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9675162505 [0,0,0,0,2,0|0,0,0]=2