0 B13R2.3678 O=C(O)C1=CC2=C(S1)C(Br)=CS2 SY059705 [0,1,0,0,0,0|2,0,0]=3 1 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SY035273 [0,0,1,0,0,0|2,0,1]=4 2 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O SY035318 [0,0,1,0,0,0|2,0,1]=4 3 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NO2 SY263552 [0,0,0,0,0,1|2,1,0]=4 4 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 SY004023 [0,0,0,0,0,1|2,0,0]=3 5 B13R2.430 O=C(O)C1=CC2=C(N=C1)NN=C2 SY013960 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 SY069193 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 SY016704 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 SY004025 [0,0,0,0,0,1|2,0,0]=3 9 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 SY046615 [0,0,0,0,0,1|1,1,0]=3 10 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 SY003903 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 SY018731 [0,0,0,0,0,1|2,1,0]=4 12 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 SY006123 [0,0,0,0,0,1|2,0,0]=3 13 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 SY002468 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC=C2NN=CC2=C1 SY003900 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 SY003675 [0,0,0,0,0,1|1,1,0]=3 16 B13R2.430 O=C(O)C1=CC=C2OC=NC2=C1 SY008172 [0,0,0,0,0,1|2,1,0]=4 17 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 SY027147 [0,0,0,0,0,1|2,0,0]=3 18 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 SY005596 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 SY119067 [0,0,0,0,0,1|2,0,1]=4 20 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 SY022609 [0,0,0,0,0,1|1,0,1]=3 21 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 SY013959 [0,0,0,0,0,1|1,0,1]=3 22 B13R2.430 O=[N+]([O-])C1=CC=C2SC=CC2=C1 SY042673 [0,0,0,0,0,1|2,0,1]=4 23 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 SY045444 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 SY001822 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 SY225211 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 SY024481 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 SY024866 [0,0,0,0,0,1|2,0,0]=3 28 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 SY003715 [0,0,0,0,0,1|1,0,0]=2 29 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 SY005603 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 SY003106 [0,0,0,0,0,1|2,0,0]=3 31 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 SY016149 [0,0,0,0,0,1|1,0,0]=2 32 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 SY004412 [0,0,0,0,0,1|1,0,0]=2 33 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 SY004051 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 SY022481 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 SY286053 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.435 O=C(O)C1=NC2=C(C=NC=C2)S1 SY267100 [0,0,0,0,0,1|2,0,1]=4 37 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 SY042596 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 SY004701 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 SY004089 [0,0,0,0,0,1|1,0,2]=4 40 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SY003767 [0,0,0,0,0,1|1,0,2]=4 41 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 SY003766 [0,0,0,0,0,1|1,0,2]=4 42 B10R1.66 O=C(O)CCC1=CC=CS1 SY005413 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.66 O=C(O)CCC1=CSC=C1 SY122984 [1,0,1,0,0,0|0,0,2]=4 44 B10R1.66 O=C(O)\C=C/C1=CC=CO1 SY056646 [1,0,1,0,0,0|1,1,0]=4 45 B10R1.66 O=C(O)\C=C\C1=CC=CO1 SY009542 [1,0,1,0,0,0|1,1,0]=4 46 B10R1.66 O=C(O)\C=C\C1=COC=C1 SY278590 [1,0,1,0,0,0|0,1,0]=3 47 B10R1.66 O=C(O)\C=C\C1=NC=CS1 SY041142 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.31 COC1=CNC(C(=O)O)=C1 SY247648 [1,0,1,0,0,0|1,0,1]=4 49 B10R1.31 O=CC1=CC=C(C(=O)O)O1 SY050542 [1,0,1,0,0,0|2,0,0]=4 50 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 SY147812 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 SY017790 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2S1 SY029797 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 SY018451 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.601 O=C(O)C1=CC=C2N=C(O)SC2=C1 SY263165 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1Br SY300095 [0,1,0,0,0,1|2,0,0]=4 56 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1O SY293900 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 SY003617 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 SY282727 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=C2 SY004326 [0,1,0,0,0,1|1,1,0]=4 60 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 SY002751 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.966 COC(=O)C1=CC2=C(N=C1)NC=C2 SY033608 [0,1,0,0,0,1|1,0,1]=4 62 B14R2.966 COC(=O)C1=CC=C2C=CNC2=N1 SY097826 [0,1,0,0,0,1|1,0,1]=4 63 B14R2.966 COC(=O)C1=CC=C2C=COC2=C1 SY069050 [0,1,0,0,0,1|1,1,0]=4 64 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 SY022474 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(Cl)=CN2 SY294239 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.5719 O=C(O)C1=CC=C2C(Br)=CNC2=C1 SY006248 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.5719 O=C(O)C1=CC=C2C(Br)=CNC2=N1 SY260144 [0,1,0,0,0,1|1,0,1]=4 68 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl SY065160 [0,1,0,0,0,1|1,0,1]=4 69 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(F)=C1 SY128754 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(O)=C1 SY293899 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 SY022482 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2Br SY006247 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.24358 O=C(O)C1=CC2=C(C=C1)NC=C2Cl SY294238 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.24358 O=C(O)C1=CN=C2NC=C(Br)C2=C1 SY259702 [0,1,0,0,0,1|1,0,1]=4 75 B14R2.450 CC1=C(C(=O)O)NC2=C1C=CC=C2 SY101248 [0,1,0,0,0,1|1,0,0]=3 76 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SY050484 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O SY104155 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 SY035628 [0,1,0,0,0,1|2,0,0]=4 79 B14R2.450 NC1=C(C(=O)O)SC2=NC=NC=C21 SY021773 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 SY006239 [0,1,0,0,0,1|1,0,0]=3 81 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 SY021058 [0,1,0,0,0,1|1,0,0]=3 82 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 SY006828 [0,1,0,0,0,1|2,0,0]=4 83 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 SY005381 [0,1,0,0,0,1|1,0,0]=3 84 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 SY045665 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.972 COC(=O)C1=CC2=CC=CN=C2S1 SY297120 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 SY004470 [0,1,0,0,0,1|1,0,0]=3 87 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 SY013022 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.972 O=C(CO)C1=CC2=CC=CC=C2S1 SY131035 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.4529 CC1=CC2=C(C=N1)NC(C(=O)O)=C2 SY241501 [0,1,0,0,0,1|1,0,0]=3 90 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 SY045632 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 SY045639 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 SY251599 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 SY051129 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SY041968 [0,1,0,0,0,1|1,0,0]=3 95 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 SY101335 [0,1,0,0,0,1|1,0,0]=3 96 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 SY035588 [0,1,0,0,0,1|1,0,0]=3 97 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 SY004252 [0,1,0,0,0,1|1,0,0]=3 98 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 SY022888 [0,1,0,0,0,1|1,0,0]=3 99 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 SY042599 [0,1,0,0,0,1|1,0,0]=3 100 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 SY104077 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 SY049517 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 SY045635 [0,1,0,0,0,1|2,0,0]=4 103 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 SY019649 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2S1 SY041971 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2O1 SY019648 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 SY037268 [0,1,0,0,0,1|1,0,0]=3 107 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2O1 SY226910 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 SY031913 [0,1,0,0,0,1|1,0,0]=3 109 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)N1 SY059457 [0,1,0,0,0,1|1,0,0]=3 110 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 SY110415 [0,1,0,0,0,1|1,0,0]=3 111 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2O1 SY285491 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 SY026154 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 SY098773 [0,1,0,0,0,1|1,0,0]=3 114 B14R2.7969 O=C(O)C1=NC2=C(Cl)C=CN=C2N1 SY273274 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 SY021203 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.10637 COC(=O)C1=CC2=C(CCC2=O)N1 SY253327 [0,2,0,0,0,0|1,0,1]=4 117 B12R2.100 CC1=C(N)C=C2C=CSC2=C1 SY277855 [0,0,1,1,0,0|2,0,0]=4 118 B10R1.23 CC(=O)C(=O)C1=CSC=C1 SY253253 [0,0,1,0,1,0|2,0,0]=4 119 B10R1.23 NC(C(=O)O)C1=CC=CS1 SY014049 [0,0,1,0,1,0|1,0,1]=4 120 B10R1.23 NC(C(=O)O)C1=CSC=C1 SY015213 [0,0,1,0,1,0|0,0,1]=3 121 B10R1.23 NC(C(=O)O)C1=CSC=C1 SY025903 [0,0,1,0,1,0|0,0,1]=3 122 B10R1.23 O=C(O)C(=O)C1=CC=CN1 SY299895 [0,0,1,0,1,0|2,0,0]=4 123 B10R1.23 O=C(O)C(F)C1=CSC=C1 SY263434 [0,0,1,0,1,0|1,0,1]=4 124 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O SY006039 [0,0,1,0,0,1|2,0,0]=4 125 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SY015112 [0,0,1,0,0,1|2,0,0]=4 126 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SY009527 [0,0,1,0,0,1|2,0,0]=4 127 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl SY003739 [0,0,1,0,0,1|2,0,0]=4 128 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O SY048367 [0,0,1,0,0,1|2,0,0]=4 129 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SY003985 [0,0,1,0,0,1|2,0,0]=4 130 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 SY003741 [0,0,1,0,0,1|2,0,0]=4 131 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SY012681 [0,0,1,0,0,1|2,0,0]=4 132 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 SY042244 [1,0,0,0,0,1|1,0,0]=3 133 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 SY065641 [1,0,0,0,0,1|1,0,0]=3 134 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SY066930 [1,0,0,0,0,1|1,0,0]=3 135 B12R2.32 O=CC1=CC2=CC=CC=C2O1 SY013762 [1,0,0,0,0,1|2,0,0]=4 136 B12R2.32 O=CC1=CC2=CC=CC=C2S1 SY019968 [1,0,0,0,0,1|2,0,0]=4 137 B12R2.32 O=CC1=NC2=CC=CC=C2N1 SY025423 [1,0,0,0,0,1|2,0,0]=4 138 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 SY045599 [1,0,0,0,0,1|1,0,1]=4 139 B12R2.44 O=CC1=CC2=C(C=C1)NC=C2 SY014625 [1,0,0,0,0,1|2,0,0]=4 140 B12R2.44 O=CC1=CC2=C(C=CN2)C=C1 SY002555 [1,0,0,0,0,1|2,0,0]=4 141 B12R2.44 O=CC1=CC=C2C=COC2=C1 SY026601 [1,0,0,0,0,1|1,1,0]=4 142 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 SY005145 [0,0,0,0,0,2|2,0,0]=4 143 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 SY004481 [0,0,0,0,0,2|2,0,0]=4 144 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=N1 SY048006 [0,0,0,0,0,2|1,0,1]=4 145 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=C1 SY004162 [0,0,0,0,0,2|1,0,1]=4 146 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 SY003115 [0,0,0,0,0,2|2,0,0]=4 147 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 SY001304 [0,0,0,0,0,2|1,0,1]=4 148 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 SY002404 [0,0,0,0,0,2|1,0,1]=4 149 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 SY112327 [0,0,0,0,0,2|1,0,1]=4 150 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=C1 SY014652 [0,0,0,0,0,2|1,0,1]=4 151 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=N1 SY029484 [0,0,0,0,0,2|1,0,1]=4 152 B14R2.1008 O=C(O)CC1=CC=C2OC=CC2=C1 SY029483 [0,0,0,0,0,2|1,1,0]=4 153 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 SY045236 [0,0,0,0,0,2|1,0,0]=3 154 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 SY045645 [0,0,0,0,0,2|2,0,0]=4 155 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 SY122811 [0,0,0,0,0,2|2,0,0]=4