0 B17R1.38903 CCCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-5578617354 [0,0,0,0,0,0|1,0,0]=1 1 B17R1.38903 CCCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-6310657989 [0,0,0,0,0,0|1,0,0]=1 2 B17R1.38903 CCSC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-5108797534 [0,0,0,0,0,0|0,0,0]=0 3 B17R1.38903 COC1=CC(=C(C=C1SC(C)C)OC)CCN MCULE-5590031371 [0,0,0,0,0,0|4,0,0]=4 4 B17R1.38903 COC1=CC(=C(C=C1SC(C)C)OC)CCN MCULE-8865375812 [0,0,0,0,0,0|4,0,0]=4 5 B16R1.20043 CCC1=C(C=C(C(=C1)OC)CC(C)N)OC MCULE-9779805994 [1,0,0,0,0,0|0,0,0]=1 6 B16R1.20043 CCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-4513775531 [1,0,0,0,0,0|0,0,0]=1 7 B16R1.25749 CCCC1=CC(=C(C=C1OC)CCN)OC MCULE-3240542739 [1,0,0,0,0,0|1,0,0]=2 8 B16R1.25749 CCCC1=CC(=C(C=C1OC)CCN)OC MCULE-5259266086 [1,0,0,0,0,0|1,0,0]=2 9 B16R1.25749 CCSC1=C(C=C(C(=C1)OC)CCN)OC MCULE-1874529442 [1,0,0,0,0,0|0,0,0]=1 10 B16R1.25749 CCSC1=C(C=C(C(=C1)OC)CCN)OC MCULE-4231546012 [1,0,0,0,0,0|0,0,0]=1 11 B16R1.25749 COCC1=CC(=C(C=C1OC)COC)OC MCULE-8720976521 [1,0,0,0,0,0|3,0,0]=4 12 B18R1.39998 COC1=CC(=C(C=C1CC(C)N)OC)SC(C)C MCULE-6521069285 [0,1,0,0,0,0|0,0,0]=1 13 B18R1.102645 CCCCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-7049893832 [0,1,0,0,0,0|1,0,0]=2 14 B18R2.107599 COC1=CC(=C(C2=C1OCO2)OC)CC(C)Cl MCULE-8472791187 [0,0,0,1,0,0|2,1,0]=4 15 B15R1.1788 COC1=CC(=C(C=C1Br)OC)CC(C)N MCULE-8949874251 [2,0,0,0,0,0|1,0,0]=3 16 B15R1.1788 COC1=CC(=C(C=C1Br)OC)C[C@H](C)N MCULE-2061862817 [2,0,0,0,0,0|1,0,0]=3 17 B15R1.1788 COC1=CC(=C(C=C1Br)OC)C[C@H](C)N MCULE-7618746407 [2,0,0,0,0,0|1,0,0]=3 18 B15R1.1788 COC1=CC(=C(C=C1C)OC)CC(C)N MCULE-7368986212 [2,0,0,0,0,0|0,0,0]=2 19 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Br MCULE-4524297690 [2,0,0,0,0,0|1,0,0]=3 20 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)C MCULE-9310533628 [2,0,0,0,0,0|0,0,0]=2 21 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Cl MCULE-4172194754 [2,0,0,0,0,0|1,0,0]=3 22 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)Cl MCULE-5043155137 [2,0,0,0,0,0|1,0,0]=3 23 B15R1.1788 COC1=CC(=C(C=C1CC(C)N)OC)I MCULE-4610591643 [2,0,0,0,0,0|1,0,0]=3 24 B15R1.1788 COC1=CC(=C(C=C1C[C@@H](C)N)OC)I MCULE-2324163847 [2,0,0,0,0,0|1,0,0]=3 25 B15R1.1788 COC1=CC(=C(C=C1C[C@@H](C)N)OC)I MCULE-9040804835 [2,0,0,0,0,0|1,0,0]=3 26 B15R1.1788 COC1=CC(=C(C=C1I)OC)CC(C)N MCULE-2915700352 [2,0,0,0,0,0|1,0,0]=3 27 B15R1.1788 COC1=CC(=C(C=C1I)OC)C[C@H](C)N MCULE-8571638302 [2,0,0,0,0,0|1,0,0]=3 28 B15R1.1788 COC1=CC(=C(C=C1I)OC)C[C@H](C)N MCULE-9127170836 [2,0,0,0,0,0|1,0,0]=3 29 B15R1.27356 CCC1=C(C=C(C(=C1)OC)CCN)OC MCULE-8397636477 [2,0,0,0,0,0|0,0,0]=2 30 B15R1.27356 CCC1=C(C=C(C(=C1)OC)CCN)OC MCULE-9333092304 [2,0,0,0,0,0|0,0,0]=2 31 B15R1.27356 CCCC1=C(C=C(C(=C1)OC)C=O)OC MCULE-3456356235 [2,0,0,0,0,0|1,0,1]=4 32 B15R1.27356 CNCC1=CC(=C(C=C1OC)OC)OC MCULE-4965934677 [2,0,0,0,0,0|1,1,0]=4 33 B15R1.27356 COC1=CC(=C(C=C1CCN)OC)OC MCULE-8545025009 [2,0,0,0,0,0|0,1,0]=3 34 B15R1.27356 COC1=CC(=C(C=C1CCN)OC)SC MCULE-4323505130 [2,0,0,0,0,0|0,0,0]=2 35 B15R1.27356 COC1=CC(=C(C=C1OC)OC)CCN MCULE-8546824500 [2,0,0,0,0,0|0,1,0]=3 36 B15R1.27356 COC1=CC(=C(C=C1SC)OC)CCN MCULE-4132235197 [2,0,0,0,0,0|0,0,0]=2 37 B15R1.27356 COCC1=C(C=C(C(=C1)OC)CO)OC MCULE-7737666937 [2,0,0,0,0,0|2,0,0]=4 38 B15R1.27356 N(C)CC1=CC(=C(C=C1OC)OC)OC MCULE-3087017772 [2,0,0,0,0,0|1,1,0]=4 39 B17R1.28752 COC1=CC(=C(C=C1CC(O)CO)OC)OC MCULE-2374623191 [1,1,0,0,0,0|1,1,0]=4 40 B17R1.164164 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)OC MCULE-7793219750 [1,1,0,0,0,0|1,1,0]=4 41 B17R1.164164 COC1=CC(=C(C=C1[C@@H](N)[C@H](C)O)OC)OC MCULE-9972538653 [1,1,0,0,0,0|1,1,0]=4 42 B17R1.164164 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)OC MCULE-4779503569 [1,1,0,0,0,0|1,1,0]=4 43 B17R1.164164 COC1=CC(=C(C=C1[C@H](N)[C@@H](C)O)OC)OC MCULE-9516631861 [1,1,0,0,0,0|1,1,0]=4 44 B17R1.64891 CCCSC1=CC(=C(C=C1OC)CCN)OC MCULE-3386545182 [1,1,0,0,0,0|0,0,0]=2 45 B17R1.64891 CCCSC1=CC(=C(C=C1OC)CCN)OC MCULE-9130807784 [1,1,0,0,0,0|0,0,0]=2 46 B19R1.106084 CCCCCC1=CC(=C(C=C1OC)CC(C)N)OC MCULE-5847159480 [0,2,0,0,0,0|1,0,0]=3 47 B17R2.35502 CCCC1=C(C2=C(OCO2)C(=C1)OC)OC MCULE-7518953781 [1,0,0,1,0,0|1,1,0]=4 48 B17R2.35502 COC1=C2OCOC2=C(C(=C1)CCN)OC MCULE-3084032116 [1,0,0,1,0,0|1,1,0]=4 49 B17R2.35502 COC1=C2OCOC2=C(C(=C1)CCN)OC MCULE-6768653386 [1,0,0,1,0,0|1,1,0]=4 50 B15R1.1828 COC1=CC(=C(C=C1[C@@H](C)N)OC)OC MCULE-5948499762 [1,0,0,0,1,0|0,1,0]=3 51 B15R1.1828 COC1=CC(=C(C=C1[C@@H](C)N)OC)OC MCULE-7216021208 [1,0,0,0,1,0|0,1,0]=3 52 B15R1.1828 COC1=CC(=C(C=C1[C@H](C)N)OC)OC MCULE-8155634797 [1,0,0,0,1,0|0,1,0]=3 53 B15R1.1828 COC1=CC(=C(C=C1[C@H](C)N)OC)OC MCULE-8801620967 [1,0,0,0,1,0|0,1,0]=3 54 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-1781209749 [1,0,0,0,0,1|1,1,0]=4 55 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-6687986916 [1,0,0,0,0,1|1,1,0]=4 56 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-7519152504 [1,0,0,0,0,1|1,1,0]=4 57 B17R1.164004 COC1=CC(=C(C=C1CNC(C)C)OC)OC MCULE-9508791833 [1,0,0,0,0,1|1,1,0]=4 58 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CCC(C)N MCULE-8505566189 [1,0,0,0,0,1|0,1,0]=3 59 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CCC(C)[NH3+] MCULE-2707809180 [1,0,0,0,0,1|0,1,1]=4 60 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CC[C@H](C)N MCULE-1463313547 [1,0,0,0,0,1|0,1,0]=3 61 B17R1.164004 COC1=CC(=C(C=C1OC)OC)CC[C@H](C)N MCULE-3693294698 [1,0,0,0,0,1|0,1,0]=3