0 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 CS-0038040 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(C=CO2)S1 CS-0262123 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(C=NN2)S1 CS-0371842 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 CS-0700907 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 CS-W006813 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 CS-0315401 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.15 NCC1=CC2=C(C=CS2)S1 CS-0217402 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.400 CC1=CC2=C(C=C(C(=O)O)S2)S1 CS-0232462 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.400 CC1=NC2=C(NC(C(=O)O)=C2)S1 CS-0263451 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.400 NC1=NC2=C(C=C(C(=O)O)S2)S1 CS-0436005 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.400 O=C(O)C1=CC2=C(C=C(Br)S2)N1 CS-0080386 [0,1,0,0,0,0|0,0,0]=1 11 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 CS-0309231 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)S1 CS-0234637 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.400 O=C(O)C1=CC2=C(N1)SC(Br)=C2 CS-0216760 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.531 COC(=O)C1=CN2C=CSC2=N1 CS-0301999 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)N1 CS-0055847 [0,1,0,0,0,0|1,0,0]=2 16 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)S1 CS-0319574 [0,1,0,0,0,0|2,0,0]=3 17 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 CS-0123146 [0,1,0,0,0,0|0,1,0]=2 18 B11R1.35 C=C(CN1C=CN=C1)C(=O)O CS-0168713 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.35 CC(SC1=CC=CS1)C(=O)O CS-0325982 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.35 NC(CC1=CC=CO1)C(=O)O CS-0664793 [0,0,1,0,0,0|0,1,2]=4 21 B11R1.35 NC(CC1=CN=CS1)C(=O)O CS-0059729 [0,0,1,0,0,0|1,0,2]=4 22 B11R1.35 NC(CC1=CSC=C1)C(=O)O CS-0451750 [0,0,1,0,0,0|2,0,1]=4 23 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O CS-0433306 [0,0,1,0,0,0|2,0,1]=4 24 B11R1.35 O=C(O)C(=O)CC1=CSC=C1 CS-0232150 [0,0,1,0,0,0|2,0,0]=3 25 B11R1.35 O=C(O)C(O)CC1=CSC=C1 CS-0890822 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.48 CC1=C(C=O)SC(C(=O)O)=C1 CS-0230160 [0,0,1,0,0,0|3,0,0]=4 27 B11R1.48 CSC1=C(C)OC(C(=O)O)=C1 CS-0261061 [0,0,1,0,0,0|1,0,2]=4 28 B11R1.48 O=CC1=C(Br)C=C(C(=O)O)S1 CS-0758627 [0,0,1,0,0,0|3,0,0]=4 29 B13R2.430 CC(=O)C1=CC2=C(C=CS2)C=C1 CS-0662003 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 CC(=O)C1=CC=C2N=CSC2=C1 CS-0005566 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.430 CC(=O)C1=CN=C2C=COC2=C1 CS-0139709 [0,0,0,0,0,1|1,1,1]=4 32 B13R2.430 O=C(O)C1=CC2=C(C=N1)N=CS2 CS-0043173 [0,0,0,0,0,1|1,0,1]=3 33 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=N2 CS-0116668 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.430 O=C(O)C1=CC=C2ON=CC2=C1 CS-0058125 [0,0,0,0,0,1|2,1,0]=4 35 B13R2.430 O=C(O)C1=CC=C2SC=CC2=N1 CS-0148803 [0,0,0,0,0,1|0,0,1]=2 36 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 CS-0183268 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.430 O=C(O)C1=CN2N=CC=C2C=C1 CS-0143251 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.430 O=C(O)C1=CN=C2C=CNC2=N1 CS-0091819 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.430 O=C(O)C1=CN=C2OC=CC2=C1 CS-0236623 [0,0,0,0,0,1|1,1,0]=3 40 B13R2.430 O=C(O)C1=NC=C2NN=CC2=C1 CS-0052514 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.430 OB(O)C1=CC2=C(C=CS2)C=C1 CS-0804548 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.430 OB(O)C1=CN=C2SC=CC2=C1 CS-0492489 [0,0,0,0,0,1|2,0,1]=4 43 B13R2.435 CC(=O)C1=CC2=C(C=CN=C2)O1 CS-0833312 [0,0,0,0,0,1|3,0,0]=4 44 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 CS-0084794 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 CS-0183258 [0,0,0,0,0,1|1,0,0]=2 46 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 CS-0489334 [0,0,0,0,0,1|2,0,0]=3 47 B13R2.435 O=C(O)C1=CC2=CC=CC=C2C1 CS-0211365 [0,0,0,0,0,1|2,0,0]=3 48 B13R2.435 O=C(O)C1=CC2=CN=CC=C2S1 CS-0082386 [0,0,0,0,0,1|2,0,0]=3 49 B13R2.435 O=C(O)C1=CC2=CN=CN=C2S1 CS-0046689 [0,0,0,0,0,1|3,0,0]=4 50 B13R2.435 O=C(O)C1=CC2=NC=NC=C2N1 CS-0054776 [0,0,0,0,0,1|1,0,0]=2 51 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 CS-0057604 [0,0,0,0,0,1|2,0,1]=4 52 B13R2.435 O=C(O)C1CC2=C(N=CC=C2)N1 CS-0172718 [0,0,0,0,0,1|1,0,2]=4 53 B13R2.435 OB(O)C1=CC2=CC=CN=C2N1 CS-0178845 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.27 N\C(CC1=CC=CS1)=N/O CS-0070338 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CS1 CS-0173170 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)N1 CS-0248800 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.104 O=C(O)C(=O)CC1=CC(Br)=CS1 CS-0232087 [0,1,1,0,0,0|1,0,1]=4 58 B12R1.104 O=C(O)C(=O)CC1=CC=C(Br)S1 CS-0232148 [0,1,1,0,0,0|1,0,1]=4 59 B12R1.104 O=C(O)C(=O)CC1=CC=C(Cl)S1 CS-0238602 [0,1,1,0,0,0|1,0,1]=4 60 B12R1.120 NC(C(=O)O)C(O)C1=CC=CS1 CS-W016853 [0,1,1,0,0,0|0,0,2]=4 61 B12R1.145 CC1=C(C[C@H](N)C(=O)O)SC=C1 CS-0343810 [0,1,1,0,0,0|0,0,2]=4 62 B12R1.298 N#C\C(=C/C1=CC=CS1)C(N)=O CS-0647575 [0,1,1,0,0,0|1,0,1]=4 63 B12R1.298 NCC(CC1=CC=CS1)C(=O)O CS-0224529 [0,1,1,0,0,0|0,0,2]=4 64 B12R1.63 COC(=O)C1=CC(Br)=C(C=O)N1 CS-1055746 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.699 CN1C(C(=O)O)=CC(Br)=C1C=O CS-0261716 [0,1,1,0,0,0|2,0,0]=4 66 B14R2.601 CC1=CC2=C(N=CC(C(=O)O)=C2)N1 CS-0172802 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.601 CC1=NC2=CC(C(=O)O)=CN=C2S1 CS-0260178 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.601 NC1=NC2=CC=C(C(=O)O)C=C2S1 CS-0073883 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.601 O=C(O)C1=CC=C2SC(Cl)=NC2=C1 CS-WAA0078 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.624 CC1=CC2=C(C=C1C(=O)O)NC=C2 CS-0203790 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CN=C2N1 CS-0443252 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.624 O=C(O)C1=C(Cl)N=C2C=CSC2=C1 CS-0310903 [0,1,0,0,0,1|0,0,1]=3 73 B14R2.624 O=C(O)C1=C(F)C=C2C=CN=C2N1 CS-0443454 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.624 O=C(O)C1=C(F)C=C2C=CNC2=C1 CS-0325913 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.966 COC(=O)C1=CC2=C(C=C1)SN=C2 CS-0934940 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 CS-0147214 [0,1,0,0,0,1|1,0,0]=3 77 B14R2.966 COC(=O)C1=CN=C2C=COC2=C1 CS-0139615 [0,1,0,0,0,1|0,1,1]=4 78 B14R2.966 COC(=O)C1=CN=C2NC=CC2=N1 CS-0048978 [0,1,0,0,0,1|1,0,1]=4 79 B14R2.966 COC(=O)C1=CN=C2SC=CC2=C1 CS-0055853 [0,1,0,0,0,1|1,0,0]=3 80 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 CS-0049231 [0,1,0,0,0,1|1,0,1]=4 81 B14R2.966 NNC(=O)C1=CC2=C(C=CS2)C=N1 CS-0223536 [0,1,0,0,0,1|1,0,1]=4 82 B14R2.5719 CN1C=CC2=NC(C(=O)O)=CC=C21 CS-0505358 [0,1,0,0,0,1|1,0,1]=4 83 B14R2.5998 O=C(O)C1=C(F)C2=C(C=CN2)C=C1 CS-0245748 [0,1,0,0,0,1|2,0,0]=4 84 B14R2.5998 O=C(O)C1=CC=C2NC=CC2=C1Cl CS-0450132 [0,1,0,0,0,1|2,0,0]=4 85 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1F CS-0050860 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.5998 O=C(O)C1=CNC2=CC=NN2C1=O CS-0060298 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.5998 O=C(O)C1=CNN2C=CC=C2C1=O CS-0478868 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.8824 O=C(O)C1=CC2=C(SC=C2)C(=O)N1 CS-0222519 [0,1,0,0,0,1|1,0,0]=3 89 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C CS-0054121 [0,1,0,0,0,1|2,0,0]=4 90 B14R2.450 CC1C(C(=O)O)=CC2=C1C=CC=C2 CS-0239521 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 CS-0513971 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.450 CN1C2=CC=CC=C2N=C1C(=O)O CS-W019148 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.450 NC1=C(C(=O)O)SC2=C1N=CC=N2 CS-0234730 [0,1,0,0,0,1|2,0,0]=4 94 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2O1 CS-0456278 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CN=C2S1 CS-0084894 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.450 O=C(O)C1=C(Cl)C2=NC=CN=C2S1 CS-0163536 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.972 CNC(=O)C1=CC2=C(C=CC=C2)N1 CS-0263161 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 CS-0055581 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.972 COC(=O)C1=CC2=C(C=NC=N2)S1 CS-0960570 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.972 COC(=O)C1=CC2=CN=CN=C2N1 CS-0054633 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 CS-D0493 [0,1,0,0,0,1|1,0,0]=3 102 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=N1 CS-0050169 [0,1,0,0,0,1|1,0,0]=3 103 B14R2.4529 CC1=CN=C2NC(C(=O)O)=CC2=C1 CS-0050442 [0,1,0,0,0,1|1,0,0]=3 104 B14R2.4529 CC1=NC2=C(C=C1)OC(C(=O)O)=C2 CS-0047107 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)N1 CS-0062132 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.4529 NC(=O)C1=CC2=C(C=CC(N)=C2)N1 CS-0249805 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 CS-0205369 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.4529 O=C(O)C1=CC2=C(C=CC(I)=C2)N1 CS-0224488 [0,1,0,0,0,1|1,0,0]=3 109 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 CS-0050310 [0,1,0,0,0,1|1,0,0]=3 110 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 CS-0050234 [0,1,0,0,0,1|1,0,0]=3 111 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=NC=C1 CS-0172080 [0,1,0,0,0,1|1,0,0]=3 112 B14R2.7969 NC1=C2C=C(C(=O)O)OC2=CC=C1 CS-1056431 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2Br)N1 CS-0041608 [0,1,0,0,0,1|1,0,0]=3 114 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 CS-0216290 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.7969 O=C(O)C1=CC2=C(O)C=CC=C2N1 CS-0070999 [0,1,0,0,0,1|1,0,0]=3 116 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 CS-0050035 [0,1,0,0,0,1|2,0,0]=4 117 B14R2.10815 COC(=O)C1=CC2=C(C=C(Br)S2)N1 CS-0078997 [0,2,0,0,0,0|0,0,0]=2 118 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)S2)N1 CS-0080387 [0,2,0,0,0,0|0,0,0]=2 119 B14R2.10815 COC(=O)C1=CC2=C(C=C(Cl)S2)N1 CS-0080388 [0,2,0,0,0,0|0,0,0]=2 120 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(C)=N2 CS-0263450 [0,2,0,0,0,0|2,0,0]=4 121 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(Cl)=C2 CS-0263454 [0,2,0,0,0,0|2,0,0]=4 122 B14R2.10637 COC(=O)C1=CC2=C(N1)C(=O)CC2 CS-0309944 [0,2,0,0,0,0|1,0,1]=4 123 B14R2.4281 O=CC1=C(C(=O)O)NC2=C1SC=C2 CS-0464058 [0,2,0,0,0,0|0,0,0]=2 124 B10R1.23 NC(C(=O)O)C1=CC=CO1 CS-0328547 [0,0,1,0,1,0|0,1,1]=4 125 B10R1.23 O=C(O)C(=O)C1=CC=CS1 CS-0204912 [0,0,1,0,1,0|1,0,0]=3 126 B10R1.23 O=C(O)[C@@H](O)C1=CSC=C1 CS-0890509 [0,0,1,0,1,0|1,0,1]=4 127 B10R1.64 CC1=C(CC(=O)O)SC=C1 CS-0238394 [0,0,1,0,1,0|1,0,1]=4 128 B10R1.64 O=C(O)CC1=C(Br)C=CS1 CS-0223501 [0,0,1,0,1,0|1,0,1]=4 129 B10R1.64 O=C(O)CC1=C(Cl)SC=C1 CS-0223099 [0,0,1,0,1,0|1,0,1]=4 130 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O CS-0344071 [0,0,1,0,0,1|2,0,0]=4 131 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 CS-0067488 [0,0,1,0,0,1|2,0,0]=4 132 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O CS-0887088 [0,0,1,0,0,1|2,0,0]=4 133 B12R1.125 O=C(O)\C=C\C1=C(F)C=NC=C1 CS-0779184 [0,0,1,0,0,1|2,0,0]=4 134 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 CS-0075252 [0,0,1,0,0,1|1,0,0]=3 135 B12R2.32 O=CC1=CC2=C(N=CC=C2)O1 CS-0215135 [1,0,0,0,0,1|2,0,0]=4 136 B12R2.32 O=CC1=CC2=C(N=CC=N2)S1 CS-0368283 [1,0,0,0,0,1|2,0,0]=4 137 B12R2.32 O=CC1=CC2=NC=CC=C2S1 CS-0249244 [1,0,0,0,0,1|2,0,0]=4 138 B12R2.32 O=CC1=CC2=NC=CN=C2N1 CS-0777483 [1,0,0,0,0,1|1,0,0]=3 139 B12R2.44 O=CC1=CC2=C(C=CO2)N=C1 CS-0207710 [1,0,0,0,0,1|0,1,1]=4 140 B12R2.44 O=CC1=CC=C2NC=CC2=N1 CS-0696731 [1,0,0,0,0,1|1,0,1]=4 141 B12R2.44 O=CC1=CN=C2OC=CC2=C1 CS-0089300 [1,0,0,0,0,1|1,1,0]=4 142 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)N=N1 CS-0021465 [0,0,0,0,0,2|1,0,1]=4 143 B14R2.781 O=C(O)C1=CC2=C(C=CC=N2)N=C1 CS-0155782 [0,0,0,0,0,2|1,0,1]=4 144 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=N1 CS-0652238 [0,0,0,0,0,2|1,0,1]=4 145 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 CS-0052127 [0,0,0,0,0,2|1,0,1]=4 146 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=N1 CS-0070506 [0,0,0,0,0,2|1,0,1]=4 147 B14R2.781 O=C(O)C1=CN=C2N=CC=CC2=C1 CS-0155669 [0,0,0,0,0,2|1,0,1]=4 148 B14R2.781 O=C(O)C1=NC2=CN=CC=C2C=C1 CS-0450933 [0,0,0,0,0,2|1,0,1]=4 149 B14R2.781 O=C(O)C1=NC=C2C=CC=CC2=N1 CS-0453795 [0,0,0,0,0,2|1,0,1]=4 150 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 CS-W021423 [0,0,0,0,0,2|2,0,0]=4