0 B21R2.205989 CC1=C(C=CC=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-5864907407 [0,0,0,0,0,0|0,0,0]=0 1 B21R2.205989 CC1=CC=CC=C1C(OCCN(C)C)C2=CC=CC=C2 MCULE-1907411306 [0,0,0,0,0,0|0,0,0]=0 2 B21R2.205989 CC1=CC=CC=C1C(OCCN(C)C)C2=CC=CC=C2 MCULE-7320950210 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.10799 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3867814648 [1,0,0,0,0,0|0,0,0]=1 4 B20R2.10799 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6260910826 [1,0,0,0,0,0|0,0,0]=1 5 B20R2.10799 CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7781861736 [1,0,0,0,0,0|0,0,0]=1 6 B20R2.10799 CN(C)CCSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1917854647 [1,0,0,0,0,0|0,1,0]=2 7 B20R2.10799 CN(C)CCSC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8914441112 [1,0,0,0,0,0|0,1,0]=2 8 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-7888368317 [1,0,0,0,0,0|0,0,0]=1 9 B20R2.21885 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2C MCULE-8477718810 [1,0,0,0,0,0|0,0,0]=1 10 B22R2.201379 CC1=C(C=CC=C1)C(OCC(N)C(=O)O)C2=CC=CC=C2 MCULE-4633208087 [0,1,0,0,0,0|3,0,0]=4 11 B22R2.3988806 CN(C)CCOC(C1=CC(=CC=C1)Cl)C2=C(C=CC=C2)Cl MCULE-5456691643 [0,1,0,0,0,0|1,0,0]=2 12 B22R2.8239985 CN(C)CCOC(C1=CC=C(C=C1)F)C2=C(C=CC=C2)F MCULE-4600549348 [0,1,0,0,0,0|1,0,0]=2 13 B22R2.8239985 CN(C)CCOC(C1=CC=C(C=C1)F)C2=C(C=CC=C2)F MCULE-9596110127 [0,1,0,0,0,0|1,0,0]=2 14 B22R3.16182945 CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-8873728994 [0,0,0,1,0,0|2,0,1]=4 15 B22R3.16182945 CN(C)CCC=S1C2=C(C=CC=C2)CC3=C1C=CC=C3 MCULE-2325191803 [0,0,0,1,0,0|2,0,0]=3 16 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2454310422 [0,0,0,1,0,0|3,0,0]=4 17 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-8672883746 [0,0,0,1,0,0|3,0,0]=4 18 B20R2.76629 CN(C)CCOC(C1=CC=CC=C1)C2=CC=NN2C MCULE-2326983286 [0,0,0,0,1,0|2,0,0]=3 19 B20R2.76629 CN(C)CCOC(C1=CC=CC=C1)C2=CC=NN2C MCULE-6570998132 [0,0,0,0,1,0|2,0,0]=3 20 B19R2.2474 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6102670976 [2,0,0,0,0,0|0,0,0]=2 21 B19R2.2474 CNCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9442468364 [2,0,0,0,0,0|0,0,0]=2 22 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[1,1,0,0,0,0|1,0,0]=3 33 B21R2.252285 CN(C)CCCC(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4069496583 [1,1,0,0,0,0|1,0,0]=3 34 B21R2.252285 CN(C)CCOC(C)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2551447731 [1,1,0,0,0,0|0,0,0]=2 35 B21R2.252285 CN(C)CCOC(C)(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-3872542853 [1,1,0,0,0,0|1,0,0]=3 36 B21R2.252285 CN(C)CCOC(C)(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-1561851137 [1,1,0,0,0,0|1,0,0]=3 37 B21R2.252285 CN(C)CCOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1350466146 [1,1,0,0,0,0|1,0,0]=3 38 B21R2.252285 C[NH+](C)CCOC(C)(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-7394342520 [1,1,0,0,0,0|1,0,1]=4 39 B21R2.366996 CC1=CC=C(C=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-3077042871 [1,1,0,0,0,0|0,0,0]=2 40 B21R2.366996 CC1=CC=C(C=C1)C(OCCN(C)C)C2=CC=CC=C2 MCULE-8647139942 [1,1,0,0,0,0|0,0,0]=2 41 B21R2.366996 CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-2463311442 [1,1,0,0,0,0|1,0,0]=3 42 B21R2.366996 CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-8298496189 [1,1,0,0,0,0|1,0,0]=3 43 B21R2.366996 CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-9375103807 [1,1,0,0,0,0|1,0,0]=3 44 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br MCULE-5359251560 [1,1,0,0,0,0|0,0,0]=2 45 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br MCULE-8384054041 [1,1,0,0,0,0|0,0,0]=2 46 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl MCULE-4137183803 [1,1,0,0,0,0|0,0,0]=2 47 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl MCULE-9602307051 [1,1,0,0,0,0|0,0,0]=2 48 B21R2.366996 CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)N MCULE-4743151384 [1,1,0,0,0,0|0,0,0]=2 49 B21R2.366996 CN(C)CCO[C@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2 MCULE-2465711470 [1,1,0,0,0,0|1,0,0]=3 50 B21R2.205967 CN(C)C(=O)CC(C1=CC=CC=C1)C2=C(C=CC=C2)Cl MCULE-7247091295 [0,1,0,0,1,0|1,0,1]=4 51 B21R2.3566632 CN(C)CCC(O)(C1=CC=CC=C1)C2=C(C=CC=C2)Cl MCULE-4731554490 [0,1,0,0,1,0|1,0,0]=3 52 B21R2.3566632 CN(C)CCC(O)(C1=CC=CC=C1)C2=C(C=CC=C2)Cl MCULE-9899042682 [0,1,0,0,1,0|1,0,0]=3 53 B21R3.7545 CN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1 MCULE-2089498403 [1,0,0,1,0,0|1,0,1]=4 54 B21R3.7545 CN1CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C1 MCULE-3892292692 [1,0,0,1,0,0|1,0,1]=4 55 B21R3.12150 CN1CCOC(C2=C(C1)C=CC=C2)C3=CC=CC=C3 MCULE-2635908358 [1,0,0,1,0,0|0,0,0]=2 56 B21R3.12150 CN1CCOC(C2=C(C1)C=CC=C2)C3=CC=CC=C3 MCULE-6729144331 [1,0,0,1,0,0|0,0,0]=2 57 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7246942383 [1,0,0,1,0,0|0,0,0]=2 58 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8156128631 [1,0,0,1,0,0|0,0,0]=2 59 B21R3.18311 CC1=C(C=CC=C1)C(OCC2CO2)C3=CC=CC=C3 MCULE-9796920167 [1,0,0,1,0,0|1,0,0]=3 60 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2432442328 [0,0,0,1,1,0|2,0,0]=4 61 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6877848962 [0,0,0,1,1,0|2,0,0]=4 62 B23R3.19281841 CN(C)CCCC1OC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2197208538 [0,0,0,1,0,1|2,0,0]=4 63 B23R3.19281841 CN(C)CCCC1OC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4149895681 [0,0,0,1,0,1|2,0,0]=4 64 B23R3.19281841 CN(C)CCCC1SC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5875785021 [0,0,0,1,0,1|2,0,0]=4 65 B23R3.10324912 CN(C)CCCC1C2=CC(=CC=C2NC3=C1C=CC=C3)Cl MCULE-2714985119 [0,1,0,1,0,0|2,0,0]=4 66 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-1737040494 [0,1,0,1,0,0|1,0,1]=4 67 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-9362508867 [0,1,0,1,0,0|1,0,1]=4 68 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-7646165936 [0,1,0,1,0,0|1,0,1]=4 69 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-8218980694 [0,1,0,1,0,0|1,0,1]=4 70 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7205279069 [0,1,0,1,0,0|1,0,1]=4 71 B23R3.26139327 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-5101040536 [0,1,0,1,0,0|1,0,1]=4 72 B23R3.26139327 CN(C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-3537115467 [0,1,0,1,0,0|1,0,1]=4 73 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C13 MCULE-4730330659 [0,1,0,1,0,0|1,0,1]=4 74 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2446742562 [0,1,0,1,0,0|1,0,1]=4 75 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-9679646305 [0,1,0,1,0,0|1,0,1]=4 76 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6147328510 [0,1,0,1,0,0|1,0,0]=3 77 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-8333525450 [0,1,0,1,0,0|1,0,0]=3 78 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-5997199711 [0,1,0,1,0,0|2,0,0]=4 79 B23R3.26139327 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-9471074673 [0,1,0,1,0,0|2,0,0]=4 80 B23R3.26139327 CN(C)CCOC1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 MCULE-3102596656 [0,1,0,1,0,0|0,0,1]=3 81 B23R3.26139327 CN(C)CCOC1C2=C(C=CC=C2)C=CC3=C1C=CC=C3 MCULE-4603721749 [0,1,0,1,0,0|0,0,1]=3 82 B23R3.26139327 CN(C)CCOC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-5492489613 [0,1,0,1,0,0|0,0,0]=2 83 B23R3.26139327 CN(C)CCSC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-2163615317 [0,1,0,1,0,0|0,1,0]=3 84 B23R3.26139327 CN(C)CCSC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7102788227 [0,1,0,1,0,0|0,1,0]=3 85 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-1277462752 [1,0,0,0,1,0|1,0,0]=3 86 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-1937757973 [1,0,0,0,1,0|1,0,0]=3 87 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-4429131537 [1,0,0,0,1,0|1,0,0]=3 88 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-6921949374 [1,0,0,0,1,0|1,0,0]=3 89 B19R2.13577 CN(C)CCC(C1=CC=CC=C1)C2=NC=CC=C2 MCULE-7152203152 [1,0,0,0,1,0|1,0,0]=3 90 B21R2.12898 CC(C)NCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-5626679297 [1,0,0,0,0,1|1,0,0]=3 91 B21R2.12898 CC(C)NCCOC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-8186267149 [1,0,0,0,0,1|1,0,0]=3 92 B21R2.12898 CN(C)CCCNC(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2184332942 [1,0,0,0,0,1|1,0,0]=3 93 B21R2.12898 CN(C)CCON=C(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-1831278042 [1,0,0,0,0,1|1,0,1]=4 94 B21R2.12898 CN(C)CCON=C(C1=CC=CC=C1)C2=CC=NC=C2 MCULE-4309392049 [1,0,0,0,0,1|1,0,1]=4 95 B21R2.106968 CC1=C(C=CC=C1)SC(CCN(C)C)C2=CC=CC=C2 MCULE-1577375291 [0,0,0,0,1,1|0,0,0]=2 96 B21R2.106968 CC1=C(C=CC=C1)SC(CCN(C)C)C2=CC=CC=C2 MCULE-1722540475 [0,0,0,0,1,1|0,0,0]=2 97 B21R2.106968 CC1=CC=CC=C1OC(CCN(C)C)C2=CC=CC=C2 MCULE-5975916655 [0,0,0,0,1,1|0,0,0]=2 98 B23R2.369890 CC1=CC=CC=C1C(OCCCNC(C)C)C2=CC=CC=C2 MCULE-5945794786 [0,0,0,0,0,2|1,0,0]=3 99 B23R2.369890 CC1=CC=CC=C1C(OCCCNC(C)C)C2=CC=CC=C2 MCULE-9574950707 [0,0,0,0,0,2|1,0,0]=3