0 B12R1.75 CC(C)CC1=C(C=CC=C1)C=O Z1171158400 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.75 CC(C)NC1=C(C=CC=N1)C#N Z31191155 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.75 CC(C)OC1=C(C=CC=N1)C#N Z295203628 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.75 COC1=C(C=CC=C1)CC(C)O Z445987128 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.75 COC1=C(C=CC=C1)NC(C)C Z267171966 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.75 CSC1=C(C=CC=C1)CC(C)N Z3067374118 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.41 CCSC1=C(N=CC=N1)C#N Z995023798 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.41 CNCC1=C(C=CC=C1)OC Z56944118 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.41 COC1=C(C=CC=C1)CCN Z104493472 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.41 COC1=C(C=CC=N1)CCO Z1504674309 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.86 CC(C)CC1=C(C=CC=C1)N Z1171158156 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.86 CC(C)OC1=C(C=CC=N1)O Z1255389451 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.86 CC(C)OC1=C(N=CC=C1)N Z1809367930 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.86 CC1=C(C=CC=C1)CC(C)N Z594038086 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.86 CC1=C(C=CC=C1)NC(C)C Z267168760 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.86 CN(C)CC1=C(C=CC=N1)O Z56957565 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.89 COC1=C(C=CC=C1)C(N)C(C)N Z3765855804 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.89 COC1=C(C=CC=N1)C(=O)N(C)C Z300800902 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC Z1691545280 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.622 COC1=C(C=CC=C1)CC(C)(C)N Z839115174 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.3089 COC1=C(C=C(C=C1)Cl)CN(C)C Z103727016 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.3089 COC1=C(C=C(C=C1)N)OC(C)C Z1675167202 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.72 CC(N)C1COC2=C1C=CC=C2 Z1493816383 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.92 COC1=C(C=CC=C1)C2CC2N Z1263820289 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.222 CC1(CNC2=C(C1)C=CC=C2)C Z3817108766 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.222 CC1(CNC2=C(C1)C=CC=N2)C Z4449638275 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.222 CC1(CNC2=C(O1)C=CC=N2)C Z1255421457 [0,0,0,1,0,0|3,0,0]=4 27 B13R2.328 CC1CC(=O)C2=C(C1)C=CC=N2 Z4048181494 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.581 COC1=C2CC(CC2=CC=C1)N Z1255380738 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.53 CC(C)C1=C(C=CC=N1)C=O Z1255398088 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.53 CC(C)C1=C(N=CC=C1)CN Z4927326966 [0,0,0,0,1,0|3,0,0]=4 31 B11R1.53 CNC1=C(C=CC=C1)C(C)C Z335263032 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.53 CNC1=C(N=CC=C1)N(C)C Z1082871914 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.53 COC1=C(C=CC=C1)C(C)N Z57057709 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.53 COC1=C(C=CC=C1)[C@@H](C)O Z360055200 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.53 COC1=C(C=CC=C1)[C@H](C)O Z360055194 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.53 COC1=C(N=CC=N1)C(=N)N Z3810710763 [0,0,0,0,1,0|2,0,1]=4 37 B11R1.57 CC(C)CN1C=CN=C1CN Z965811490 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.57 CC(C)CN1N=CC=C1C=O Z1416179037 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.57 CC(C)CN1N=CN=C1CO Z1266917928 [0,0,0,0,1,0|3,0,0]=4 40 B13R1.90 COC1=C(C=CC=C1)OCC(C)N Z744843996 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.4 CC1=C(N=CC=N1)CCO Z1198163945 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.20 CNC1=C(N=CC=C1)OC Z1082871982 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.20 COC1=C(C=CC=N1)CO Z800297974 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.20 COC1=C(N=CC=N1)C=O Z1198266659 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.20 COC1=C(N=CC=N1)CO Z1661095795 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.18 CC(=O)CC1=NC=CN=C1 Z1098219337 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.77 CCC(N)C1=C(C=CC=C1)OC Z234894889 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.77 COC1=C(N=CC=C1)C(O)CN Z3601606840 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.121 CNCCC1=C(C=CC=C1)OC Z159528470 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.124 CC1=C(C=CC=C1)C(N)C(C)C Z513797128 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.124 CC1=C(N=CC=C1)C(N)C(C)C Z852750962 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.151 CC1=C(C=CC=C1)CC(C)(C)N Z1263602397 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.233 CC(C)CC1=C(C=C(C=C1)O)O Z1513805538 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.46 COC1=C(C=C(C=C1)N)C(C)C Z3244866812 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.76 COC1=C(C=CC=C1)C(C)(C)N Z449374472 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.76 COC1=C(C=CC=C1)C(C)(C)O Z449374410 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.89 CCC1=C(C=NN1CC(C)C)N Z1276653987 [0,1,0,0,1,0|2,0,0]=4 70 B14R1.93 COC1=C(C=CC=C1)SCC(C)(C)O Z802639874 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.840 COC1=C(C=CC=C1)C(N)CC(C)C Z513791346 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.840 COC1=C(C=CC=C1)C(O)CC(C)C Z513747936 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.840 COC1=C(C=CC=N1)C(=O)NC(C)C Z300093770 [0,1,0,0,0,1|1,0,1]=4 74 B14R1.863 COC1=C(C=CC=C1)OCC(C)CN Z406340940 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.863 COC1=C(C=CC=C1)SCC(C)CN Z1263714109 [0,1,0,0,0,1|2,0,0]=4 76 B14R1.3135 COC1=C(C=CC=C1)CC(=O)C(C)C Z734156452 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.3135 COC1=C(C=CC=C1)CC(N)C(C)C Z734162788 [0,1,0,0,0,1|2,0,0]=4 78 B14R1.3135 COC1=C(C=CC=N1)NC(=O)C(C)C Z437341786 [0,1,0,0,0,1|1,0,1]=4 79 B14R1.839 COC1=C(C=CC=C1)C(N)C(C)(C)C Z1404601483 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.2000 COC1=C(C=CC=C1)CC(C)(N)CO Z2725042637 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.41 C1=CC2=C(CCCCN2)N=C1 Z1203732000 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.41 C1=CC2=C(N=C1)NCCCC2 Z1203733884 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.41 C1=CC2=C(N=C1)OCCNC2 Z2143572903 [1,0,0,1,0,0|2,0,0]=4 86 B12R2.2403 CC1(CNC2=C1N=CC=C2)C Z1861999568 [0,0,0,1,1,0|2,0,0]=4 87 B14R2.4491 CC1(CNC2=C(C1)C=C(C=N2)Br)C Z4607148494 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.61 CC(C)C1=C(C=CC=C1)O Z104485440 [1,0,0,0,1,0|2,0,0]=4 89 B10R1.61 CC(C)C1=C(C=CC=N1)N Z1416177001 [1,0,0,0,1,0|2,0,0]=4 90 B10R1.61 CC(C)C1=C(C=NC=N1)O Z1618037650 [1,0,0,0,1,0|2,0,0]=4 91 B10R1.61 CC(C)C1=C(N=CC=C1)N Z1192017957 [1,0,0,0,1,0|2,0,0]=4 92 B10R1.61 CC(C)C1=C(N=CC=N1)Cl Z1255497724 [1,0,0,0,1,0|1,0,0]=3 93 B10R1.61 CC(C)C1=NC=CNC1=O Z1203732938 [1,0,0,0,1,0|0,0,2]=4 94 B10R1.61 CC1=C(C=CC=N1)C(C)N Z4511547602 [1,0,0,0,1,0|2,0,0]=4 95 B10R1.61 CC1=C(C=CC=N1)C(C)O Z1766930129 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.64 CC(C)CN1N=CC=C1N Z85923420 [1,0,0,0,1,0|2,0,0]=4 97 B10R1.64 CC(C)NC1=NC=CN1C Z959381410 [1,0,0,0,1,0|2,0,0]=4 98 B10R1.64 CC1=NC=CN1CC(C)O Z600458168 [1,0,0,0,1,0|2,0,0]=4 99 B10R1.39 CNC1=CC=NN1C(C)C Z1082871154 [0,0,0,0,2,0|2,0,0]=4 100 B14R1.96 CC(C)CCSC1=C(N=CC=N1)C#N Z1272639501 [0,0,0,0,0,2|2,0,0]=4