0 B13R1.718 COC(=O)COCC1=CC=CC=C1 AC-83236 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 AC-82158 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.8 BrCCCCCC1=CC=CC=C1 AC-16353 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.252 CC(=O)COCC1=CC=CC=C1 AC-33619 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.252 CC(=O)NCCC1=NC=CC=C1 AC-90299 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.252 CN(C)CCOC1=CC=CC=C1 AC-79849 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AC-38854 [1,0,0,0,0,0|0,0,0]=1 7 B12R1.252 O=C(O)CCNC1=CC=CC=C1 AC-42393 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-17267 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 O=C(O)CNCC1=NC=CC=C1 AC-94260 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.252 O=C(O)COCC1=CC=CC=C1 AC-51588 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.252 OB(O)CCCC1=CC=CC=C1 AC-95611 [1,0,0,0,0,0|1,0,1]=3 12 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 AC-64865 [0,1,0,0,0,0|0,0,0]=1 13 B14R1.13 COC(=O)CCNC1=NC=C(Br)C=C1 AC-86058 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 AC-29228 [0,1,0,0,0,0|0,0,0]=1 15 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 AC-22881 [0,1,0,0,0,0|1,0,0]=2 16 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 AC-83717 [0,1,0,0,0,0|1,0,0]=2 17 B14R1.837 COC(=O)CCNC1=NC=CC=C1Cl AC-82342 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.1025 COC(=O)CCSC1=NC=CC(Cl)=C1 AC-95832 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.1025 COC(=O)NCCC1=CC=CC(O)=C1 AC-77211 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 AC-11500 [0,0,0,1,0,0|1,0,0]=2 21 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC-11499 [0,0,0,1,0,0|1,0,0]=2 22 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 AC-11531 [0,0,0,1,0,0|1,2,0]=4 23 B14R2.68 NC1CCC(C2=CC=CC=C2)CC1 AC-46457 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AC-85360 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.68 O=C1CCN(C2=CC=NC=C2)CC1 AC-80646 [0,0,0,1,0,0|3,0,0]=4 26 B14R2.95 COC(=O)C1=CCC2=C1C=CC=C2 AC-93883 [0,0,0,1,0,0|0,0,2]=3 27 B14R2.95 COC(=O)C1=CNC2=C1C=CC=C2 AC-31072 [0,0,0,1,0,0|1,0,2]=4 28 B14R2.95 COC(=O)C1=NNC2=C1C=CC=C2 AC-41854 [0,0,0,1,0,0|2,0,1]=4 29 B14R2.95 COC(=O)C1=NOC2=CC=CC=C21 AC-92341 [0,0,0,1,0,0|2,0,1]=4 30 B12R1.27 CCC(=O)OCC1=CC=CC=C1 AC-86751 [0,0,0,0,1,0|2,0,0]=3 31 B12R1.27 COC(=O)C#CC1=NC=CC=C1 AC-88660 [0,0,0,0,1,0|1,0,2]=4 32 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 AC-89581 [0,0,0,0,1,0|0,0,2]=3 33 B12R1.27 NCC(=O)NCC1=CC=CC=C1 AC-88856 [0,0,0,0,1,0|3,0,0]=4 34 B12R1.27 NNC(=O)OCC1=CC=CC=C1 AC-15263 [0,0,0,0,1,0|3,0,0]=4 35 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 AC-24724 [0,0,0,0,1,0|3,0,0]=4 36 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 AC-48268 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 AC-33118 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.27 O=C(NO)OCC1=CC=CC=C1 AC-22907 [0,0,0,0,1,0|3,0,0]=4 39 B14R1.716 COC(=O)CCCOC1=CC=CC=C1 AC-90360 [0,0,0,0,0,1|0,0,0]=1 40 B11R1.28 O=CCOCC1=CC=CC=C1 AC-81292 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.28 OCCCCC1=CC=NC=C1 AC-41310 [2,0,0,0,0,0|1,0,1]=4 42 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 AC-90975 [1,1,0,0,0,0|0,0,1]=3 43 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 AC-84683 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 AC-81636 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 AC-87984 [1,1,0,0,0,0|0,0,0]=2 46 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AC-22857 [1,1,0,0,0,0|0,0,1]=3 47 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 AC-81902 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 AC-86697 [1,1,0,0,0,0|0,0,0]=2 49 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AC-33531 [1,1,0,0,0,0|0,0,0]=2 50 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC-35165 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC-38440 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.158 CC1=CC=CC=C1CCCC(=O)O AC-82439 [1,1,0,0,0,0|0,0,0]=2 53 B13R1.158 NC1=CC=CC=C1OCCC(=O)O AC-32414 [1,1,0,0,0,0|1,0,0]=3 54 B13R1.158 NC1=CC=CC=C1OCCC(=O)O AC-90420 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.158 O=C(O)CCCC1=CC=CC=C1O AC-91141 [1,1,0,0,0,0|0,0,0]=2 56 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 AC-15170 [1,1,0,0,0,0|0,0,0]=2 57 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 AC-15171 [1,1,0,0,0,0|0,0,0]=2 58 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 AC-56539 [1,1,0,0,0,0|0,0,1]=3 59 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 AC-65432 [1,1,0,0,0,0|0,0,0]=2 60 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 AC-65431 [1,1,0,0,0,0|0,0,0]=2 61 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 AC-72140 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 AC-71448 [1,1,0,0,0,0|0,0,0]=2 63 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 AC-81015 [1,1,0,0,0,0|0,0,0]=2 64 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 AC-59463 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 AC-41247 [0,1,0,0,1,0|1,0,1]=4 66 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 AC-30788 [0,1,0,0,1,0|0,0,0]=2 67 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 AC-80247 [0,1,0,0,1,0|0,0,0]=2 68 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 AC-14347 [0,1,0,0,1,0|0,0,0]=2 69 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 AC-30991 [0,1,0,0,1,0|1,0,0]=3 70 B13R1.14 COC(=O)\C=C/C1=CC=C(O)C=C1 AC-58726 [0,1,0,0,1,0|0,0,2]=4 71 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 AC-61681 [0,1,0,0,1,0|0,0,2]=4 72 B13R1.15 COC(=O)COC1=NC=CC(Cl)=C1 AC-95831 [0,1,0,0,1,0|2,0,0]=4 73 B13R1.15 COC(=O)\C=C\C1=CC=CC(Br)=C1 AC-88485 [0,1,0,0,1,0|0,0,2]=4 74 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 AC-82920 [0,1,0,0,1,0|0,0,0]=2 75 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 AC-17013 [0,1,0,0,1,0|0,0,0]=2 76 B13R1.528 COC(=O)CCC1=CC=CC=C1Br AC-30789 [0,1,0,0,1,0|0,0,0]=2 77 B15R1.452 COC(CCOCC1=CC=CC=C1)OC AC-95933 [0,1,0,0,0,1|0,0,2]=4 78 B15R1.778 CCOC(=O)CCOCC1=CC=CC=C1 AC-82642 [0,1,0,0,0,1|0,0,0]=2 79 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 AC-76992 [0,1,0,0,0,1|0,0,1]=3 80 B15R1.633 CCOC(=O)CCSC1=NC=CC(Cl)=C1 AC-95833 [0,2,0,0,0,0|2,0,0]=4 81 B15R1.826 CCOC(=O)C(=O)CCC1=CC=CC=C1 AC-66273 [0,2,0,0,0,0|0,0,1]=3 82 B15R1.1252 CCOC(=O)CCCC1=CC=CC=C1O AC-29100 [0,2,0,0,0,0|0,0,0]=2 83 B15R1.966 COC(=O)CN(C=O)CC1=CC=CC=C1 AC-95269 [0,2,0,0,0,0|1,0,0]=3 84 B15R1.1370 COC(=O)[C@@H](CO)NCC1=CC=CC=C1 AC-81380 [0,2,0,0,0,0|1,0,0]=3 85 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 AC-53226 [1,0,0,1,0,0|1,0,1]=4 86 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 AC-87966 [1,0,0,1,0,0|1,0,1]=4 87 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 AC-40592 [1,0,0,1,0,0|2,0,0]=4 88 B13R2.15 CC1=NCCC1C2=CC=CC=C2 AC-95940 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.1613 O\N=C1/CCCC2=C1C=CC=C2 AC-58615 [1,0,0,1,0,0|2,0,0]=4 90 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 AC-75586 [1,0,0,1,0,0|1,0,1]=4 91 B13R2.10 O=C1CNC(C2=CC=CC=C2)C1 AC-86215 [1,0,0,1,0,0|1,0,0]=3 92 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 AC-11526 [1,0,0,1,0,0|2,0,0]=4 93 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 AC-26533 [1,0,0,1,0,0|2,0,0]=4 94 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 AC-13477 [1,0,0,1,0,0|1,0,0]=3 95 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 AC-92688 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 AC-61836 [1,0,0,1,0,0|0,0,0]=2 97 B13R2.72 O=C(O)C1CCC2=CC=CN=C21 AC-88151 [1,0,0,1,0,0|1,0,0]=3 98 B13R2.163 O=C1CCCC2=CC=CC=C2N1 AC-19159 [1,0,0,1,0,0|1,0,0]=3 99 B13R2.163 O=C1CCNC2=CC=CC=C2N1 AC-57392 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 AC-71462 [1,0,0,1,0,0|1,0,0]=3 101 B13R2.15272 COC(=O)C1=CC2=CC=CC=C21 AC-92992 [0,0,0,1,1,0|0,0,2]=4 102 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 AC-80368 [0,0,0,1,0,1|0,0,2]=4 103 B15R2.4 COC(=O)CC1=NNC2=C1C=CC=C2 AC-86641 [0,0,0,1,0,1|1,0,1]=4 104 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 AC-14553 [0,0,0,1,0,1|1,0,0]=3 105 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 AC-59927 [0,0,0,1,0,1|1,0,0]=3 106 B15R2.29 O=C1CCN(CC2=CC=NC=C2)CC1 AC-40615 [0,0,0,1,0,1|2,0,0]=4 107 B15R2.79765 COC(=O)C1CCNC2=C1C=CC=C2 AC-87840 [0,0,0,1,0,1|0,0,0]=2 108 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 AC-87516 [0,0,0,1,0,1|0,0,0]=2 109 B15R2.3 O=C1CCC(C2=CC=C(O)C=C2)CC1 AC-65429 [0,1,0,1,0,0|1,0,0]=3 110 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 AC-12730 [0,1,0,1,0,0|1,0,0]=3 111 B15R2.325 O=C1NC(CC2=CC=CC=C2)C(=O)O1 AC-90693 [0,1,0,1,0,0|1,0,1]=4 112 B15R2.1601 COC(=O)C1CC2=C(C=CC=C2)CN1 AC-31826 [0,1,0,1,0,0|1,0,0]=3 113 B15R2.1601 NOC(=O)C1CCC2=C(C=CC=C2)C1 AC-71812 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.91 CC(=O)OCC1=CC=NC=C1 AC-24117 [1,0,0,0,1,0|2,0,0]=4 115 B11R1.91 NC(=O)NCC1=CC=CC=C1 AC-85594 [1,0,0,0,1,0|2,0,0]=4 116 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AC-12737 [1,0,0,0,1,0|0,0,2]=4 117 B11R1.91 O=C(O)CCC1=CC=CN=C1 AC-24033 [1,0,0,0,1,0|1,0,0]=3 118 B11R1.91 O=C(O)CCC1=CC=NC=C1 AC-44325 [1,0,0,0,1,0|1,0,0]=3 119 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-64140 [1,0,0,0,1,0|1,0,0]=3 120 B11R1.91 O=C(O)COC1=NC=CC=C1 AC-63733 [1,0,0,0,1,0|2,0,0]=4 121 B11R1.91 O=C(O)CSC1=CC=NC=C1 AC-61576 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 AC-80706 [1,0,0,0,1,0|1,0,1]=4 123 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-20976 [1,0,0,0,1,0|1,0,1]=4 124 B11R1.40 COC(=N)CC1=CC=CC=C1 AC-95822 [0,0,0,0,2,0|1,0,0]=3 125 B11R1.40 COC(=O)CC1=CC=CN=C1 AC-72096 [0,0,0,0,2,0|1,0,0]=3 126 B11R1.40 O=C(CBr)CC1=CC=CC=C1 AC-75854 [0,0,0,0,2,0|2,0,0]=4