0 B23R3.10324912 CN(C)CC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8112602039 [0,0,0,0,0,0|0,0,0]=0 1 B23R3.10324912 CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7149047798 [0,0,0,0,0,0|0,0,0]=0 2 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-4912229237 [0,0,0,0,0,0|0,0,0]=0 3 B23R3.10324912 CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-7221241811 [0,0,0,0,0,0|0,0,0]=0 4 B23R3.10324912 CN(C)CCCC1C2=CC(=CC=C2NC3=C1C=CC=C3)Cl MCULE-2714985119 [0,0,0,0,0,0|1,0,2]=3 5 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-5976054678 [0,0,0,0,0,0|1,0,1]=2 6 B23R3.10324912 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-8792081568 [0,0,0,0,0,0|1,0,1]=2 7 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-6965276497 [0,0,0,0,0,0|1,1,1]=3 8 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3=C1C=CC=C3)Br MCULE-9356559118 [0,0,0,0,0,0|1,1,1]=3 9 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3C1C=CC=C3)Cl MCULE-3468314078 [0,0,0,0,0,0|1,0,3]=4 10 B23R3.10324912 CN(C)CCCN1C2=CC(=CC=C2SC3C1C=CC=C3)Cl MCULE-7048402492 [0,0,0,0,0,0|1,0,3]=4 11 B22R3.12627800 CNCC/C=C\1/C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-4509603180 [1,0,0,0,0,0|0,0,0]=1 12 B22R3.12627800 CNCCC=C1C2=CC=CC=C2SC3=CC=C(C=C13)Cl MCULE-1610785850 [1,0,0,0,0,0|0,0,0]=1 13 B22R3.16182945 CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-8873728994 [1,0,0,0,0,0|0,0,0]=1 14 B22R3.16182945 CN(C)CCC=S1C2=C(C=CC=C2)CC3=C1C=CC=C3 MCULE-2325191803 [1,0,0,0,0,0|2,0,0]=3 15 B22R3.16182945 CN(C)CCCN1C2=C(C=CC=C2)SC3=C1N=CC=C3 MCULE-5105926538 [1,0,0,0,0,0|2,0,1]=4 16 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2454310422 [1,0,0,0,0,0|1,0,1]=3 17 B22R3.16182945 CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-8672883746 [1,0,0,0,0,0|1,0,1]=3 18 B24R3.11986227 CN(C)CCC=C1C2=CC=C(C=C2SC3=C1C=C(C=C3)Cl)O MCULE-2513337423 [0,1,0,0,0,0|0,0,0]=1 19 B24R3.11986227 CN(C)CCC=C1C2=CC=C(C=C2SC3=C1C=C(C=C3)Cl)O MCULE-7980639028 [0,1,0,0,0,0|0,0,0]=1 20 B24R3.11986227 CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl MCULE-9597276291 [0,1,0,0,0,0|1,0,1]=3 21 B24R3.11986227 CN(C)CCCN1C2=CC=C(C=C2SC3=C1C=C(C=C3)Cl)O MCULE-7506504662 [0,1,0,0,0,0|1,0,1]=3 22 B24R3.13731091 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C(=C3)O)Cl MCULE-4756337702 [0,1,0,0,0,0|0,0,0]=1 23 B24R3.13731091 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C(=C3)O)Cl MCULE-7791700371 [0,1,0,0,0,0|0,0,0]=1 24 B24R3.13731091 CN(C)CCC=C1C2=CC(=C(C=C2SC3=C1C=CC=C3)F)Cl MCULE-2253547590 [0,1,0,0,0,0|0,0,0]=1 25 B24R3.13731091 CN(C)CCC=C1C2=CC(=C(C=C2SC3=C1C=CC=C3)F)Cl MCULE-4386952546 [0,1,0,0,0,0|0,0,0]=1 26 B24R3.15111195 CN(C)CCC(=O)N1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-2698513176 [0,1,0,0,0,0|1,0,0]=2 27 B24R3.15111195 CN(C)CCC(=O)N1C2=C(C=CC=C2)SC3=C1C=C(C=C3)Cl MCULE-7992757150 [0,1,0,0,0,0|1,0,0]=2 28 B24R3.15113496 C[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-2004064650 [0,1,0,0,0,0|0,0,1]=2 29 B24R3.15113496 C[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-2839136484 [0,1,0,0,0,0|0,0,1]=2 30 B24R3.25384571 CN(C)CCCN1C2=C(C=CC=C2)S(=O)C3=C1C=C(C=C3)Cl MCULE-2088133902 [0,1,0,0,0,0|1,0,2]=4 31 B24R3.25384571 CN(C)CCCN1C2=C(C=CC=C2)S(=O)C3=C1C=C(C=C3)Cl MCULE-6238383870 [0,1,0,0,0,0|1,0,2]=4 32 B24R3.25384571 CN(C)CCCN1C2=CC=CC=C2[S@@](=O)C3=C1C=C(C=C3)Cl MCULE-6091985011 [0,1,0,0,0,0|1,0,2]=4 33 B24R3.53940934 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C=C3O)Cl MCULE-1403233456 [0,1,0,0,0,0|0,0,0]=1 34 B24R3.53940934 CN(C)CCC=C1C2=C(C=CC=C2)SC3=C1C=C(C=C3O)Cl MCULE-7720974333 [0,1,0,0,0,0|0,0,0]=1 35 B24R3.118808131 CN(C)CCC=C1C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl MCULE-3138285824 [0,1,0,0,0,0|0,0,0]=1 36 B24R3.118808131 CN(C)CCC=C1C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl MCULE-3931726748 [0,1,0,0,0,0|0,0,0]=1 37 B22R2.4399 CN(C)CCCOC1=C(C=CC=C1)OC2=CC=C(C=C2)Cl MCULE-4794006999 [0,0,1,0,0,0|1,1,1]=4 38 B22R2.3988806 CN(C)CCOC(C1=CC(=CC=C1)Cl)C2=C(C=CC=C2)Cl MCULE-5456691643 [0,0,1,0,0,0|2,0,1]=4 39 B24R3.2679831 CN(C)CCOC1=CC2=CC=CC=C2SC3=CC=C(C=C13)Cl MCULE-9082713433 [0,0,0,0,0,1|1,0,0]=2 40 B24R3.15111086 CN(C)CCSC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-1071837622 [0,0,0,0,0,1|1,0,1]=3 41 B24R3.15111086 CN(C)CCSC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-9674361951 [0,0,0,0,0,1|1,0,1]=3 42 B24R3.118819978 CN(C)CCC=C1C2=CC(=CC=C2CSC3=C1C=CC=C3)F MCULE-5804039035 [0,0,0,0,0,1|0,1,0]=2 43 B24R3.118819978 CN(C)CCC=C1C2=CC(=CC=C2CSC3=C1C=CC=C3)F MCULE-9742188899 [0,0,0,0,0,1|0,1,0]=2 44 B24R3.118819978 CN(C)CCCN1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)Cl MCULE-6443168248 [0,0,0,0,0,1|2,0,1]=4 45 B21R3.8069667 CNCCCN1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2846422713 [2,0,0,0,0,0|1,0,1]=4 46 B23R3.17309 CN(C)CCCN1C2=CC=CC=C2SC3=CC(=CC=C13)Cl MCULE-9529964281 [1,1,0,0,0,0|1,0,1]=4 47 B23R3.41925352 CN(C)CCC(=O)N1C2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2512233993 [1,1,0,0,0,0|1,0,0]=3 48 B23R3.71886310 CC(CN(C)C)CN1C2=CC=CC=C2SC3=C1C=CC=C3 MCULE-3095158236 [1,1,0,0,0,0|1,0,1]=4 49 B23R3.71886310 CC(CN(C)C)CN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-5182129377 [1,1,0,0,0,0|1,0,1]=4 50 B23R3.71886310 CC(CN(C)C)CN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6238833953 [1,1,0,0,0,0|1,0,1]=4 51 B23R3.10326069 CN(C)CC(=O)N1C2=CC(=CC=C2SC3=C1C=CC=C3)Cl MCULE-2259673123 [0,1,0,0,1,0|1,0,0]=3 52 B23R3.10326069 CN(C)CC(=O)N1C2=CC(=CC=C2SC3=C1C=CC=C3)Cl MCULE-6916109071 [0,1,0,0,1,0|1,0,0]=3 53 B25R3.84471985 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=C(C=C3)C=O MCULE-4497041168 [0,1,0,0,0,1|1,1,0]=4 54 B25R3.84471985 CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=C(C=C13)C=O MCULE-9135944292 [0,1,0,0,0,1|1,1,0]=4 55 B25R3.84471985 CN(C)CCC=C1C2=C(C=CC=C2)CSC3=C1C=C(C=C3)C#N MCULE-2341200827 [0,1,0,0,0,1|1,0,0]=3 56 B25R3.84471985 CN(C)CCC=C1C2=C(C=CC=C2)CSC3=C1C=C(C=C3)C#N MCULE-6222540442 [0,1,0,0,0,1|1,0,0]=3 57 B25R3.84471985 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=C(C=C13)C=O MCULE-2539295585 [0,1,0,0,0,1|1,1,0]=4 58 B25R3.84471985 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=C(C=C13)C=O MCULE-7592930847 [0,1,0,0,0,1|1,1,0]=4 59 B25R3.152452223 CN(C)CCC=C1C2=CC(=CC=C2CSC3=C1C=C(C=C3)F)F MCULE-3590687864 [0,1,0,0,0,1|0,1,0]=3 60 B25R3.14411519 CN(C)CCC=C1C2=CC(=C(C=C2SC3=C1C=CC(=C3)F)F)Cl MCULE-4369400742 [0,2,0,0,0,0|0,0,0]=2 61 B25R3.14411519 CN(C)CCC=C1C2=CC(=C(C=C2SC3=C1C=CC(=C3)F)F)Cl MCULE-7784615291 [0,2,0,0,0,0|0,0,0]=2 62 B25R3.2302892839 CN(C)CCC=C1C2=CC(=CC=C2SC3=C1C=C(C(=C3)F)F)Cl MCULE-1290091412 [0,2,0,0,0,0|0,0,0]=2 63 B25R3.2302892839 CN(C)CCC=C1C2=CC(=CC=C2SC3=C1C=C(C(=C3)F)F)Cl MCULE-9564233651 [0,2,0,0,0,0|0,0,0]=2 64 B25R3.199170690 CC[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-1489722770 [0,2,0,0,0,0|0,0,1]=3 65 B25R3.199170690 CC[N+](C)(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-8510963729 [0,2,0,0,0,0|0,0,1]=3 66 B25R3.123138798 CCN(CC)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl MCULE-8704281261 [0,2,0,0,0,0|1,0,1]=4 67 B25R3.319289155 CN(C)CCC=C1C2=CC(=CC=C2SC3=C1C=CC=C3)N(C)C MCULE-4177851903 [0,2,0,0,0,0|1,0,0]=3 68 B25R3.52398032 COC1=C2SC3=C(C=CC=C3)C(=CCCN(C)C)C2=CC(=C1)Cl MCULE-5579317392 [0,2,0,0,0,0|0,0,0]=2 69 B25R3.52398032 COC1=C2SC3=C(C=CC=C3)C(=CCCN(C)C)C2=CC(=C1)Cl MCULE-8857134873 [0,2,0,0,0,0|0,0,0]=2 70 B23R3.10324854 CN(C)CCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13 MCULE-2889935073 [0,0,1,1,0,0|0,0,0]=2 71 B23R3.10324854 CN(C)CCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13 MCULE-8282397808 [0,0,1,1,0,0|0,0,0]=2 72 B25R4.188149510 CN1CCC(=C2C3=CC=CC=C3SC4=CC=C(C=C24)Br)CC1 MCULE-4246157392 [0,1,0,1,0,0|0,1,0]=3 73 B21R2.4552 CN(C)CCOC1=C(C=CC=C1)OC2=CC=C(C=C2)Cl MCULE-5065767307 [0,0,1,0,1,0|1,1,0]=4 74 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-2432442328 [1,0,0,0,1,0|1,0,0]=3 75 B21R3.7877738 CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C13 MCULE-6877848962 [1,0,0,0,1,0|1,0,0]=3 76 B21R3.7877738 CN(C)N=CC1=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-5229876323 [1,0,0,0,1,0|2,0,0]=4 77 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-7246942383 [1,0,0,0,1,0|1,0,1]=4 78 B21R3.9913503 CN(C)CCOC1C2=CC=CC=C2C3=C1C=CC=C3 MCULE-8156128631 [1,0,0,0,1,0|1,0,1]=4 79 B23R3.19159989 CN(C)CCCNC1=C2C=CC=CC2=NC3=CC=CC=C13 MCULE-4870762644 [1,0,0,0,0,1|1,0,1]=4 80 B23R3.19281841 CN(C)CC/C=C\1/C=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-1604323680 [1,0,0,0,0,1|1,0,0]=3 81 B23R3.19281841 CN(C)CC/C=C\1/C=C2C=CC=CC2=CC3=CC=CC=C13 MCULE-6022578350 [1,0,0,0,0,1|1,0,0]=3 82 B23R3.19281841 CN(C)CCCC1OC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2197208538 [1,0,0,0,0,1|0,0,2]=4 83 B23R3.19281841 CN(C)CCCC1OC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-4149895681 [1,0,0,0,0,1|0,0,2]=4 84 B23R3.19281841 CN(C)CCCC1SC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-5875785021 [1,0,0,0,0,1|0,0,2]=4 85 B23R3.19281841 CN(C)CCCN1CC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-2074892026 [1,0,0,0,0,1|1,0,1]=4 86 B23R3.19281841 CN(C)CCCN1CC2=C(C=CC=C2)SC3=C1C=CC=C3 MCULE-6244513537 [1,0,0,0,0,1|1,0,1]=4 87 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-1737040494 [1,0,0,0,0,1|0,1,0]=3 88 B23R3.26139327 CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C13 MCULE-9362508867 [1,0,0,0,0,1|0,1,0]=3 89 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-7646165936 [1,0,0,0,0,1|0,1,0]=3 90 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-8218980694 [1,0,0,0,0,1|0,1,0]=3 91 B23R3.26139327 CN(C)CC/C=C\1/C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7205279069 [1,0,0,0,0,1|0,0,0]=2 92 B23R3.26139327 CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=CC=C3 MCULE-5101040536 [1,0,0,0,0,1|0,0,0]=2 93 B23R3.26139327 CN(C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-3537115467 [1,0,0,0,0,1|1,0,0]=3 94 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C13 MCULE-8200113048 [1,0,0,0,0,1|1,0,0]=3 95 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C13 MCULE-8541827584 [1,0,0,0,0,1|1,0,0]=3 96 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C13 MCULE-4730330659 [1,0,0,0,0,1|0,1,0]=3 97 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-2446742562 [1,0,0,0,0,1|0,0,0]=2 98 B23R3.26139327 CN(C)CCC=C1C2=CC=CC=C2SCC3=C1C=CC=C3 MCULE-9679646305 [1,0,0,0,0,1|0,0,0]=2 99 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-6147328510 [1,0,0,0,0,1|0,0,2]=4 100 B23R3.26139327 CN(C)CCCC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-8333525450 [1,0,0,0,0,1|0,0,2]=4 101 B23R3.26139327 CN(C)CCOC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-5492489613 [1,0,0,0,0,1|1,0,1]=4 102 B23R3.26139327 CN(C)CCSC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-2163615317 [1,0,0,0,0,1|1,0,1]=4 103 B23R3.26139327 CN(C)CCSC1C2=C(C=CC=C2)CSC3=C1C=CC=C3 MCULE-7102788227 [1,0,0,0,0,1|1,0,1]=4 104 B23R3.26139327 C[NH+](C)CCC=C1C2=C(C=CC=C2)CCC3=C1C=CC=C3 MCULE-6119641097 [1,0,0,0,0,1|1,0,1]=4 105 B23R3.26139327 C[NH+](C)CCC=C1C2=C(C=CC=C2)COC3=C1C=CC=C3 MCULE-6150481524 [1,0,0,0,0,1|0,1,1]=4 106 B25R3.18472750 CN(C)CCCSC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-3256125500 [0,0,0,0,0,2|0,0,2]=4 107 B25R3.18472750 CN(C)CCCSC1CC2=CC(=CC=C2SC3=CC=CC=C13)Cl MCULE-5667436328 [0,0,0,0,0,2|0,0,2]=4