0 B10R1.21 C=CCNCC1=CC=CO1 DY614831 [0,0,0,0,0,0|1,1,2]=4 1 B10R1.21 CCCCCc1cccs1 DY585146 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.21 CCNCCN1C=CN=N1 DY533799 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.21 CNCCCN1C=CN=C1 DY725413 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.21 NCCCCN1C=CN=C1 DY566589 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.21 NCCSCC1=CC=CO1 DY794745 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.21 OCCNCC1=CC=CO1 DY615064 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.12 BrCCCN1C=CC=N1 DY736183 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.12 CCCCC1=CSC=C1 DY550173 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.12 CCCCC1=NC=CN1 DY726205 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.12 CCCCC1=NN=CO1 DY788589 [1,0,0,0,0,0|2,1,0]=4 11 B9R1.12 CCCCC1C=CC=C1 DY114482 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.12 CCOCC1=CC=CO1 NO17009 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.12 CSSCC1=CC=CO1 DY759446 [1,0,0,0,0,0|2,1,0]=4 14 B9R1.12 OCCCN1C=CC=N1 DY602524 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.4 CCCCCCC1=CC=CS1 NO21710 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.4 CCCCCCC1=CSC=C1 NO22304 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.4 CCCCNCC1=CSC=C1 DY609397 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.4 COCCNCC1=CSC=C1 DY610464 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.4 ClCCOCCN1C=CC=N1 DY644277 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.27 CC1=NC(CCCCN)=CS1 DY786280 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.27 CCOCCN1C=CC(N)=N1 DY735835 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.29 CNCC[C@H](O)C1=CC=CS1 NO20305 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.29 N#CCCC(=O)C1=CC=CS1 DY787252 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.30 CCCC(=O)CC1=CC=CO1 DY604803 [0,1,0,0,0,0|0,1,1]=3 25 B11R1.30 CCOC(=O)CC1=NC=CS1 NO13253 [0,1,0,0,0,0|2,0,1]=4 26 B11R2.2 C1=CNC(C2CCCN2)=C1 DY717339 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.2 C1=COC(C2CCCN2)=N1 DY540447 [0,0,0,1,0,0|2,1,0]=4 28 B11R2.2 C1=CSC(C2=NCCC2)=C1 DY717321 [0,0,0,1,0,0|1,0,1]=3 29 B11R2.2 C1=CSC(N2CCCC2)=N1 DY666347 [0,0,0,1,0,0|2,0,0]=3 30 B11R2.2 C1=NNC(C2CCCN2)=C1 DY648639 [0,0,0,1,0,0|3,0,0]=4 31 B11R2.2 C1=NOC(C2CCCN2)=C1 DY529989 [0,0,0,1,0,0|2,1,0]=4 32 B11R2.18 C1=C2CCNCCC2=NN1 NO17231 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.18 C1=CN2CCCNCC2=N1 DY585349 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.18 C1=NC2=C(CCNCC2)N1 DY106432 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.106 CC1NCCN2C=CC=C12 DY611336 [0,0,0,1,0,0|3,0,0]=4 36 B11R1.28 BrCCCCC1=CC=CC=C1 DY519843 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.28 CCCCCC1=CC=CC=C1 DY745567 [0,0,0,0,0,1|1,0,0]=2 40 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.28 COCCSC1=NC=CC=C1 DY713737 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.28 N#CCCCC1=CC=CC=C1 DY461028 [0,0,0,0,0,1|2,0,1]=4 43 B11R1.28 NCCCCC1=NC=CC=C1 DY603285 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [0,0,0,0,0,1|2,0,1]=4 46 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.28 OCCCCC1=CC=NC=C1 NO13477 [0,0,0,0,0,1|2,0,0]=3 48 B11R1.28 OCCCCC1=NC=CC=C1 DY532905 [0,0,0,0,0,1|2,0,0]=3 49 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.8 CCCC1=NC=CN1 NO14621 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.8 CSCC1=CC=CO1 DY523785 [2,0,0,0,0,0|1,1,0]=4 52 B8R1.8 N#CCC1=CC=CS1 NO22998 [2,0,0,0,0,0|1,0,1]=4 53 B8R1.8 NCCC1=CC=CN1 DY717219 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.8 NCCC1=CN=CS1 DY785962 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.8 NNCC1=CC=CS1 DY607641 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.8 O=CCC1=CC=CS1 NO17423 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.8 OCCC1=CC=CS1 NO14939 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.8 OCCC1=NC=CS1 DY578205 [2,0,0,0,0,0|2,0,0]=4 59 B10R0.91 CCCCCC(=O)\C=C\C=O DY503457 [0,1,1,0,0,0|0,1,0]=3 60 B10R0.91 CCCCCC(O)\C=C\C=O DY570585 [0,1,1,0,0,0|0,1,1]=4 61 B10R1.11 CCCC(=O)C1=CC=CS1 DY786724 [1,1,0,0,0,0|0,0,1]=3 62 B10R1.11 CCOC(=O)C1=CC=CS1 NO14077 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.11 CNCC(=O)C1=CC=CS1 DY787552 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.11 NCC[C@H](O)C1=CC=CS1 DY787816 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.29 CCCCC1=C(Br)SC=C1 DY524589 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.1 CCCCOC1=CN=C(Br)C=C1 DY575043 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.1 CCCCSC1=NC=C(Cl)C=C1 DY715244 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.1 FC1=CC=C(CCCCCl)C=C1 DY559677 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.8 CCCCCCC1=CC=NC=C1 NO17088 [0,1,0,0,0,1|1,0,0]=3 70 B12R1.8 CCCCCCC1=NC=CC=C1 DY712183 [0,1,0,0,0,1|1,0,0]=3 71 B12R1.8 CCCCNCC1=CC=NC=C1 DY615027 [0,1,0,0,0,1|1,0,0]=3 72 B12R1.8 CCNCCCC1=CC=CC=C1 DY610544 [0,1,0,0,0,1|1,0,0]=3 73 B12R1.8 COCCNCC1=NC=CC=C1 DY614604 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.8 NCCCNCC1=CC=CC=C1 NO11742 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.8 OCCCNCC1=CC=CC=C1 DY555777 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.27 NCC(F)CCC1=CC=CC=C1 DY527373 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.30 CCCCC(N)C1=CC=CN=C1 DY604358 [0,1,0,0,0,1|1,0,0]=3 79 B12R1.30 NC(CCCO)C1=CC=CC=C1 DY554247 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 DY623915 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.32 NCCC(F)CC1=CC=CC=C1 DY527259 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.252 CC(C)CNCC1=CC=NC=C1 DY611023 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.267 CCCCOC1=NC=CC=C1Cl DY714650 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.267 CCCCOC1=NC=CC=C1O DY715646 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.7 COCCNCC1=CC=C(C)S1 DY610887 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.372 CCCCCCC1=C(Br)SC=C1 NO21339 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.372 CCCCNCC1=C(C)C=CS1 DY609789 [0,2,0,0,0,0|0,0,0]=2 89 B12R1.26 CCC(C)NCC1=CC=C(C)S1 DY614897 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.297 CCC(CO)NCC1=CC=CS1 DY614586 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.54 CN(C)CC[C@H](O)C1=CC=CS1 NO13602 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.260 N[C@@H](CC(=O)O)CC1=CC=CS1 DY701299 [0,2,0,0,0,0|1,0,1]=4 93 B10R1.17 CCCC[N+]1=CC=CC=C1 DY538095 [0,0,1,1,0,0|2,0,0]=4 94 B10R2.7 C1=CC2=C(C=NCC2)S1 DY546489 [1,0,0,1,0,0|1,0,1]=4 95 B10R2.7 C1=CC2=C(CCNC2)S1 DY457060 [1,0,0,1,0,0|1,0,0]=3 96 B10R2.7 C1=CC2=C(CCNC2)S1 NO20419 [1,0,0,1,0,0|1,0,0]=3 97 B10R2.7 C1=CC2=C(CNCC2)S1 NO22489 [1,0,0,1,0,0|1,0,0]=3 98 B10R2.7 C1=CC2=C(N1)NCCC2 DY675505 [1,0,0,1,0,0|2,0,0]=4 99 B10R2.7 C1=NC2=C(CCCC2)N1 NO22485 [1,0,0,1,0,0|2,0,0]=4 100 B10R2.7 C1=NC=C2CCCCN12 DY677001 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.2 C1=CC(C2CCNC2)=NC=N1 DY430224 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.2 C1=CC(N2CCCC2)=CC=N1 NO14007 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.2 C1=CC=C(C2CCCN2)C=C1 DY666606 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.2 C1=CC=C(C2CCCN2)C=C1 NO11140 [0,0,0,1,0,1|2,0,0]=4 105 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 NO17953 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.2 C1=CN=C(C2CCNC2)C=C1 DY525903 [0,0,0,1,0,1|2,0,0]=4 107 B12R2.2 C1=CN=C(C2CCNC2)C=N1 DY500595 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.2 C1=CN=CC(C2CCCN2)=C1 NO21193 [0,0,0,1,0,1|2,0,0]=4 109 B12R2.2 C1=CN=CC(C2CCNC2)=C1 DY106144 [0,0,0,1,0,1|2,0,0]=4 110 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 DY625141 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.23 CN1CCC1C2=CC=CN=C2 DY713389 [0,0,0,1,0,1|2,0,0]=4 112 B12R2.27 NCC1CC1C2=CC=CN=C2 DY650773 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.41 C1=CC2=C(C=C1)CNCCC2 NO12567 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.41 C1=CC2=C(C=C1)NCCCC2 NO18041 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.41 C1=CN=C2CCCCCC2=C1 DY568809 [0,0,0,1,0,1|1,0,0]=3 116 B12R2.1081 CC1CCNC2=CC=CC=C21 NO17518 [0,0,0,1,0,1|2,0,0]=4 117 B12R2.1081 CC1CNCC2=CC=CC=C21 NO17240 [0,0,0,1,0,1|2,0,0]=4 118 B12R2.1081 CC1NCCC2=CC=CC=C21 NO12178 [0,0,0,1,0,1|2,0,0]=4 119 B12R2.1081 CC1NCCC2=CC=CC=C21 NO15270 [0,0,0,1,0,1|2,0,0]=4 120 B12R2.1081 C[C@@H]1CNCC2=CC=CC=C21 DY550353 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.1081 IC1CCCC2=CC=CC=C21 DY528825 [0,0,0,1,0,1|2,0,0]=4 122 B12R2.1081 NC1CCCC2=C1C=NC=C2 DY677013 [0,0,0,1,0,1|2,0,0]=4 123 B12R2.1081 NC1CCCC2=C1N=CC=C2 DY677043 [0,0,0,1,0,1|2,0,0]=4 124 B12R2.1081 N[C@@H]1CCCC2=C1N=CC=C2 DY551577 [0,0,0,1,0,1|2,0,0]=4 125 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 NO13980 [0,0,0,1,0,1|2,0,0]=4 126 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 DY555243 [0,0,0,1,0,1|2,0,0]=4 127 B12R2.2057 C1=CC(OCC2CC2)=NC=N1 NO13034 [0,0,0,1,0,1|2,0,0]=4 128 B12R2.2057 C1=CN=CC(NCC2CC2)=C1 DY716438 [0,0,0,1,0,1|2,0,0]=4 129 B12R2.10 NC1=CC=NN1C2CCCC2 DY33236 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.98 C1=CN(CC2CCCN2)N=C1 DY603219 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.315 CCC1NCCC2=C1NC=N2 DY565227 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.315 OCC1CCCC2=NC=CN21 DY528621 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.6 BrC1=CSC(C2CCCN2)=C1 DY666221 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.202 CC1=CC2=C(CCCC2O)N1 DY673075 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.586 BrC1=CN=C2CCCCCN12 DY674600 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.1041 NC1=NC2=C(CCNCC2)S1 DY676971 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.2298 CC1=CC=C(CNC2CC2)S1 DY614770 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 DY578721 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.466 CN1C=CC=C1CNC2CC2 DY717837 [0,1,0,1,0,0|2,0,0]=4