0 B21R3.590114 BrCCOC1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6276027808 [0,0,0,0,0,0|2,0,1]=3 1 B21R3.590114 N#CCC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6342572565 [0,0,0,0,0,0|1,0,2]=3 2 B21R3.590114 NCCC=C1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-9431986659 [0,0,0,0,0,0|0,0,0]=0 3 B20R3.178278 CNCC1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6826410539 [1,0,0,0,0,0|1,0,2]=4 4 B20R3.178278 OCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6146420904 [1,0,0,0,0,0|2,0,0]=3 5 B22R3.12307660 NC(=O)CC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-9306312231 [0,1,0,0,0,0|1,0,1]=3 6 B22R3.12307660 O=C(Cl)CC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-2153637258 [0,1,0,0,0,0|2,0,1]=4 7 B22R3.12627361 CNCC/C=C/1\C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-3832464125 [0,1,0,0,0,0|1,0,0]=2 8 B22R3.12627361 CNCC/C=C/1\C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-9517871447 [0,1,0,0,0,0|1,0,0]=2 9 B22R3.12627361 CNCC/C=C/1\C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-7131849468 [0,1,0,0,0,0|0,0,0]=1 10 B22R3.12627361 CNCC/C=C/1\C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-8631211577 [0,1,0,0,0,0|0,0,0]=1 11 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-2007884221 [0,1,0,0,0,0|1,0,0]=2 12 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-4699615309 [0,1,0,0,0,0|1,0,0]=2 13 B22R3.12627361 CNCCC=C1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6221890858 [0,1,0,0,0,0|1,0,0]=2 14 B22R3.12627361 CNCCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2397884474 [0,1,0,0,0,0|1,0,0]=2 15 B22R3.12627361 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5904286906 [0,1,0,0,0,0|1,0,1]=3 16 B22R3.12627361 C[NH2+]CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-1872169026 [0,1,0,0,0,0|1,0,2]=4 17 B22R3.13446522 O=C(CCCl)N1C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-7794293226 [0,1,0,0,0,0|2,0,0]=3 18 B22R3.13809978 ClCCCN1C2=CC(=CC=C2CCC3=C1C=CC=C3)Cl MCULE-3413857766 [0,1,0,0,0,0|2,0,1]=4 19 B22R3.13809978 NCCCN1C2=CC=CC=C2CCC3=CC=C(C=C13)Cl MCULE-1731714872 [0,1,0,0,0,0|1,0,1]=3 20 B22R3.14119318 O=C1CC2=CC=CC=C2C(=CCCBr)C3=CC=CC=C13 MCULE-5701416186 [0,1,0,0,0,0|1,0,1]=3 21 B22R3.14119318 OC1CC2=CC=CC=C2C(=CCCBr)C3=CC=CC=C13 MCULE-4022428861 [0,1,0,0,0,0|1,0,0]=2 22 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CC=C2 MCULE-8444480942 [0,0,1,0,0,0|1,0,1]=3 23 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CC=C2 MCULE-9649127474 [0,0,1,0,0,0|1,0,1]=3 24 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CN=C2 MCULE-6186994213 [0,0,1,0,0,0|2,0,1]=4 25 B20R2.3566 NCCCOC1=CC=CC=C1CCC2=CC=CN=C2 MCULE-9854245576 [0,0,1,0,0,0|2,0,1]=4 26 B20R2.3566 NCCCOC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-1827514536 [0,0,1,0,0,0|2,0,1]=4 27 B20R2.3566 NCCCOC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-6476408245 [0,0,1,0,0,0|2,0,1]=4 28 B22R4.1481292 C1=CC=C2C(=C1)CCC3=C(N2CC4CO4)C=CC=C3 MCULE-3366179974 [0,0,0,1,0,0|2,0,1]=4 29 B20R3.357998 BrCCC=C1C2=C(C=CC=C2)CSC3=C1C=CS3 MCULE-7286008151 [0,0,0,0,1,0|3,0,0]=4 30 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-3131107288 [0,0,0,0,1,0|2,0,1]=4 31 B20R3.368533 NCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-8866371003 [0,0,0,0,1,0|2,0,1]=4 32 B20R3.368533 NCCCN1C2=CC=CC=C2OC3=C1C=CC=C3 MCULE-4766118003 [0,0,0,0,1,0|2,0,1]=4 33 B20R3.368533 OCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-2928313721 [0,0,0,0,1,0|3,0,0]=4 34 B22R3.914938 BrCCC=C1C2=C(C=CC=C2)OCOC3=C1C=CC=C3 MCULE-5224223591 [0,0,0,0,0,1|2,0,0]=3 35 B19R2.4446 NCCCC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-8398547924 [1,0,1,0,0,0|1,0,1]=4 36 B19R2.4446 NCCOC1=C(C=CC=C1)OCC2=CC=CC=C2 MCULE-4896137760 [1,0,1,0,0,0|2,0,0]=4 37 B19R2.4446 NCCOC1=CC=CC=C1CCC2=CC=CC=C2 MCULE-3546790500 [1,0,1,0,0,0|1,0,0]=3 38 B19R2.4446 NCCOC1=CC=CC=C1CCC2=CC=CC=C2 MCULE-6287039106 [1,0,1,0,0,0|1,0,0]=3 39 B19R2.4446 NCCOC1=CC=CC=C1OCC2=CC=CC=C2 MCULE-9537809273 [1,0,1,0,0,0|2,0,0]=4 40 B19R3.1757189 NCC1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-1854000325 [2,0,0,0,0,0|0,0,1]=3 41 B19R3.1757189 NCC1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-6208856454 [2,0,0,0,0,0|1,0,1]=4 42 B19R3.1757189 NCC1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-8564282222 [2,0,0,0,0,0|1,0,1]=4 43 B19R3.1757189 OCC1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-5919697431 [2,0,0,0,0,0|1,0,1]=4 44 B19R3.1757189 ON=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-1361306014 [2,0,0,0,0,0|2,0,0]=4 45 B21R3.9509984 CNC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-3415913574 [1,1,0,0,0,0|2,0,0]=4 46 B21R3.9509984 COC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C13 MCULE-7412500770 [1,1,0,0,0,0|2,0,0]=4 47 B21R3.9509984 O=C(CBr)N1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-1006990736 [1,1,0,0,0,0|2,0,0]=4 48 B21R3.9509984 O=C(CCl)N1C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-8206747886 [1,1,0,0,0,0|2,0,0]=4 49 B21R3.8069667 NCCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-3707668043 [0,1,0,0,1,0|1,0,1]=4 50 B21R3.8069667 NCCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-8637364932 [0,1,0,0,1,0|1,0,1]=4 51 B21R3.8481400 CCCC(=O)C1=C2C=CC=CC2=CC3=C1C=CC=C3 MCULE-9248689298 [0,1,0,0,1,0|1,0,1]=4 52 B21R3.8481400 NCCC(=O)N1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-9679720674 [0,1,0,0,1,0|2,0,0]=4 53 B21R3.8481400 NCCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-7513683180 [0,1,0,0,1,0|2,0,0]=4 54 B21R3.8481400 NCC[C@@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-3488733023 [0,1,0,0,1,0|0,0,2]=4 55 B21R3.8481400 NCC[C@@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-8619991211 [0,1,0,0,1,0|0,0,2]=4 56 B21R3.8481400 NCC[C@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-5914088755 [0,1,0,0,1,0|0,0,2]=4 57 B21R3.8481400 NCC[C@H](N)C1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-7301989135 [0,1,0,0,1,0|0,0,2]=4 58 B23R3.21774393 CCCC(=O)NN1C2=CC=CC=C2CCC3=C1C=CC=C3 MCULE-4056474792 [0,2,0,0,0,0|2,0,0]=4 59 B23R3.21774393 CNCC(C)CN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-4655348328 [0,2,0,0,0,0|1,0,1]=4 60 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-1737040494 [0,2,0,0,0,0|1,0,0]=3 61 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-9362508867 [0,2,0,0,0,0|1,0,0]=3 62 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-7646165936 [0,2,0,0,0,0|1,0,0]=3 63 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-8218980694 [0,2,0,0,0,0|1,0,0]=3 64 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7205279069 [0,2,0,0,0,0|1,0,0]=3 65 B23R3.26139327 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-5101040536 [0,2,0,0,0,0|1,0,0]=3 66 B23R3.26139327 CN(C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-3537115467 [0,2,0,0,0,0|0,0,0]=2 67 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C13 MCULE-8200113048 [0,2,0,0,0,0|0,0,2]=4 68 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C13 MCULE-8541827584 [0,2,0,0,0,0|0,0,2]=4 69 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C13 MCULE-4730330659 [0,2,0,0,0,0|1,0,0]=3 70 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2446742562 [0,2,0,0,0,0|1,0,0]=3 71 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-9679646305 [0,2,0,0,0,0|1,0,0]=3 72 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5997199711 [0,2,0,0,0,0|1,0,1]=4 73 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-9471074673 [0,2,0,0,0,0|1,0,1]=4 74 B23R3.26139327 C[NH+](C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6119641097 [0,2,0,0,0,0|0,0,1]=3 75 B23R3.26139327 C[NH+](C)CCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-6150481524 [0,2,0,0,0,0|1,0,1]=4 76 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6661788203 [0,2,0,0,0,0|1,0,1]=4 77 B23R3.38836458 CNCCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-7878739491 [0,2,0,0,0,0|1,0,1]=4 78 B23R3.153679454 CNCC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C13)O MCULE-2317296049 [0,2,0,0,0,0|0,0,0]=2 79 B23R3.153679454 CNCCC=C1C2=C(C=CC=C2)CC(C3=C1C=CC=C3)O MCULE-5833278645 [0,2,0,0,0,0|0,0,0]=2 80 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@@H]4CCN4 MCULE-1460816602 [0,0,0,1,1,0|0,0,2]=4 81 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@@H]4CCN4 MCULE-2562144359 [0,0,0,1,1,0|0,0,2]=4 82 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@H]4CCN4 MCULE-4688796511 [0,0,0,1,1,0|0,0,2]=4 83 B21R4.69256 C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[C@H]4CCN4 MCULE-7093594206 [0,0,0,1,1,0|0,0,2]=4 84 B21R4.754368 NCC1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-3309065217 [0,0,0,1,1,0|0,0,2]=4 85 B21R4.754368 NCC1CC2C3=C(C1C4=C2C=CC=C4)C=CC=C3 MCULE-7387652405 [0,0,0,1,1,0|0,0,2]=4 86 B23R4.85025348 O=C(C1CC1)N2C3=CC=CC=C3CCC4=C2C=CC=C4 MCULE-7393084575 [0,1,0,1,0,0|2,0,0]=4 87 B19R3.109688 CCCC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-9374350119 [1,0,0,0,1,0|1,0,1]=4 88 B19R3.109688 CCOC1=C2C=CC=CC2=NC3=C1C=CC=C3 MCULE-6427078927 [1,0,0,0,1,0|2,0,0]=4 89 B19R3.109688 NCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-3646571849 [1,0,0,0,1,0|2,0,0]=4 90 B19R3.109688 NCCN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-4448381896 [1,0,0,0,1,0|2,0,0]=4 91 B19R3.109688 NN=CC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-3862169440 [1,0,0,0,1,0|1,0,1]=4 92 B19R3.109688 NNCC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-5062039221 [1,0,0,0,1,0|1,0,1]=4 93 B19R3.109688 OCCC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-1435364743 [1,0,0,0,1,0|1,0,1]=4 94 B19R3.223646 CCCC=C1C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-8064713462 [0,0,0,0,2,0|1,0,0]=3 95 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-2143522515 [0,0,0,0,2,0|1,0,1]=4 96 B19R3.223646 NCCCN1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7991975100 [0,0,0,0,2,0|1,0,1]=4