0 B13R2.369 CC1=CC2=C(C=CC=C2)N=C1Cl 7118560783 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=CC2=CC=CC=C2NC1=O 2630813 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O 7020240406 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.369 NC1=NC2=CC=CC=C2N=C1N 7118560424 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2048871 [0,0,0,0,0,0|2,0,2]=4 5 B13R2.369 O=C1NC2=CC=CC=C2NC1=O 2128590 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 1361118 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 6871429 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [1,0,0,0,0,0|0,0,0]=1 12 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [1,0,0,0,0,0|0,0,2]=3 14 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [1,0,0,0,0,0|1,0,2]=4 15 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [1,0,0,0,0,0|2,0,1]=4 16 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [1,0,0,0,0,0|1,0,2]=4 17 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 2819404 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [1,0,0,0,0,0|1,0,0]=2 20 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [1,0,0,0,0,0|1,1,0]=3 21 B14R2.1128 CCC1=CC2=CC=CC=C2NC1=O 22430484 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.1128 N#CC1=CC2=CC=CC=C2N=C1Cl 1049545 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.1128 N#CC1=CC2=CC=CC=C2NC1=O 7020691436 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.1128 NCC1=CC2=CC=CC=C2NC1=O 1048787 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.1128 NNC1=NC2=C(C=CC=C2)N=C1O 7110952617 [0,1,0,0,0,0|3,0,0]=4 26 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O 7020691350 [0,1,0,0,0,0|1,0,1]=3 27 B14R2.8188 CC1=CC2=CC=CC=C2N(C)C1=O 7571174 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.8239 CC1=CC2=CC(N)=CC=C2NC1=O 1151680 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.8239 CC1=CC2=CC=C(N)C=C2NC1=O 1499898 [0,1,0,0,0,0|2,0,0]=3 30 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 2128591 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 1903378 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.8239 NC1=CC=C2N=C(O)C(O)=NC2=C1 15298262 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 1048435 [0,0,1,0,0,0|1,0,2]=4 34 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 7119571874 [0,0,1,0,0,0|2,0,1]=4 35 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 1048342 [0,0,1,0,0,0|1,0,0]=2 36 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 1780058 [0,0,1,0,0,0|1,0,2]=4 37 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 1129961 [0,0,1,0,0,0|2,0,1]=4 38 B12R1.371 CC1=CC=CC=C1OC(=O)CN 1902647 [0,0,1,0,0,0|1,0,2]=4 39 B12R2.18 CC1=C(Br)C2=CC=CC=C2N1 1361130 [0,0,0,0,1,0|3,0,0]=4 40 B12R2.18 CC1=C(I)C2=CC=CC=C2N1 1361959 [0,0,0,0,1,0|3,0,0]=4 41 B12R2.18 CC1=CC2=CC=CC=C2N1C 3458594 [0,0,0,0,1,0|3,0,0]=4 42 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 4247509 [0,0,0,0,1,0|2,0,1]=4 43 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 1435637 [0,0,0,0,1,0|3,0,0]=4 44 B12R2.18 CN1CC2=C(C=CC=C2)C1=O 6338564 [0,0,0,0,1,0|2,0,1]=4 45 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 6850887 [0,0,0,0,1,0|2,0,1]=4 46 B12R2.18 O=C1NC2=CC=CC=C2C1=O 2828769 [0,0,0,0,1,0|1,0,1]=3 47 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 1902056 [1,0,1,0,0,0|1,0,0]=3 48 B11R1.40 O=C(CO)NC1=CC=CC=C1 1015594 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [1,0,1,0,0,0|1,0,0]=3 51 B11R1.91 CC(O)\C=C\C1=CC=CC=C1 3355102 [1,0,1,0,0,0|1,0,1]=4 52 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [1,0,1,0,0,0|1,0,0]=3 53 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [1,0,1,0,0,0|1,0,0]=3 54 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [1,0,1,0,0,0|0,0,2]=4 55 B11R1.91 O=C(O)CNC1=CC=CC=C1 1142601 [1,0,1,0,0,0|1,0,1]=4 56 B11R1.91 O=C(O)COC1=CC=CC=C1 7113231893 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.91 O=C(O)CSC1=CC=CC=C1 7110950354 [1,0,1,0,0,0|1,0,1]=4 58 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [1,0,1,0,0,0|0,0,0]=2 59 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [1,0,1,0,0,0|1,0,0]=3 60 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 2254538 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 2829216 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.86 O=C(O)CC1=CC=CC=C1F 7020330565 [1,0,1,0,0,0|1,0,1]=4 63 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 2826575 [2,0,0,0,0,0|1,0,0]=3 64 B11R2.20 C1=CC=C2C=CC=CC2=C1 2826500 [2,0,0,0,0,0|1,0,0]=3 65 B11R2.20 C1=CC=C2C=NC=CC2=C1 2826576 [2,0,0,0,0,0|2,0,0]=4 66 B13R1.133 C\C(=C/C1=CC=C(Cl)C=C1)C(=O)O 1048354 [0,1,1,0,0,0|1,0,0]=3 67 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O 1048347 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 1368335 [0,1,1,0,0,0|0,0,2]=4 69 B13R1.133 O=C(O)\C(O)=C\C1=CC=C(F)C=C1 5980476 [0,1,1,0,0,0|0,0,0]=2 70 B13R1.148 C\C(=C/C1=CC(Cl)=CC=C1)C(=O)O 1048353 [0,1,1,0,0,0|1,0,0]=3 71 B13R1.202 C\C(=C/C1=C(Cl)C=CC=C1)C(=O)O 1048352 [0,1,1,0,0,0|1,0,0]=3 72 B13R1.202 C\C(=C/C1=C(F)C=CC=C1)C(=O)O 1048346 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.418 CC\C(=C/C1=CC=CC=C1)C(=O)O 1048373 [0,1,1,0,0,0|1,0,0]=3 74 B13R1.418 N#CC(=CC1=CC=CC=C1)C(=O)O 7210540019 [0,1,1,0,0,0|1,0,0]=3 75 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 3358330 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.57 N#CC1=NC2=C(C=CC=C2)C=C1 2820568 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 2224641 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.57 NNC1=CC=C2C=CC=CC2=N1 0138210067 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 2830630 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 2821489 [1,1,0,0,0,0|1,0,0]=3 82 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 3670753 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 5662506 [1,1,0,0,0,0|0,0,0]=2 84 B13R2.162 NC1=C2NC(=O)C=CC2=CC=C1 3671265 [1,1,0,0,0,0|1,0,0]=3 85 B13R2.162 NC1=C2OC(=O)C=CC2=CC=C1 2204903 [1,1,0,0,0,0|0,0,0]=2 86 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 2822318 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 1088486 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 7020542827 [1,1,0,0,0,0|1,0,0]=3 89 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 7119870048 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 2832707 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 2212473 [1,1,0,0,0,0|0,0,0]=2 92 B13R2.3683 OC1=CC2=C(C=C1)C=C(Br)C=C2 1259086 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 22430517 [1,1,0,0,0,0|1,0,0]=3 94 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)N1 0127441736 [0,1,0,0,1,0|2,0,0]=4 95 B13R2.135 CC1=C(C=O)C2=C(C=CC=C2)S1 3676205 [0,1,0,0,1,0|2,0,0]=4 96 B13R2.135 CC1=C(C=O)N2C=CC=CC2=C1 3507237 [0,1,0,0,1,0|2,0,0]=4 97 B13R2.135 CCN1C(=O)OC2=CC=CC=C21 1284655 [0,1,0,0,1,0|2,0,0]=4 98 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 1034072 [0,1,0,0,1,0|2,0,0]=4 99 B13R2.3028 CN1C(=O)OC2=CC=C(N)C=C21 1047624 [0,1,0,0,1,0|2,0,0]=4 100 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1217764 [0,1,0,0,1,0|1,0,1]=4 101 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 7119850531 [0,1,0,0,1,0|1,0,1]=4 102 B13R2.3085 NN1C(=O)C2=C(C=CC=C2)C1=O 2832543 [0,1,0,0,1,0|2,0,0]=4 103 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 7217960092 [0,1,0,0,1,0|1,0,0]=3 104 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1[K] 22430459 [0,1,0,0,1,0|2,0,0]=4 105 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O 1217729 [0,1,0,0,1,0|1,0,1]=4 106 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 1217765 [0,1,0,0,1,0|1,0,1]=4 107 B13R2.4856 CN1C(=O)OC2=CC=CC(N)=C21 3629258 [0,1,0,0,1,0|2,0,0]=4 108 B13R2.5190 CN1C(=O)OC2=CC(N)=CC=C21 1047638 [0,1,0,0,1,0|2,0,0]=4 109 B15R2.274 CC1=C(C#N)C(=O)OC2=CC=CC=C21 7020143419 [0,2,0,0,0,0|1,0,0]=3 110 B15R2.274 CC1=NC2=CC=CC=C2C(O)=C1CO 7011830084 [0,2,0,0,0,0|2,0,0]=4 111 B15R2.888 NCCC1=CC2=CC=CC=C2NC1=O 1048832 [0,2,0,0,0,0|2,0,0]=4 112 B15R2.984 CC(O)C1=CC2=CC=CC=C2N=C1Cl 1085263 [0,2,0,0,0,0|2,0,0]=4 113 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 2930191 [0,2,0,0,0,0|2,0,0]=4 114 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O 2931551 [0,2,0,0,0,0|1,0,0]=3 115 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O 0125160098 [0,2,0,0,0,0|0,0,0]=2 116 B15R2.1754 N#CC1=CC2=CC=C(F)C=C2OC1=O 5044295 [0,2,0,0,0,0|1,0,0]=3 117 B15R2.1754 O=CC1=CC2=CC=C(Br)C=C2NC1=O 7020691372 [0,2,0,0,0,0|1,0,1]=4 118 B15R2.1754 O=CC1=CC2=CC=C(Cl)C=C2NC1=O 7020691362 [0,2,0,0,0,0|1,0,1]=4 119 B15R2.1824 CC1=CC=C2NC(=O)C(CN)=CC2=C1 1048790 [0,2,0,0,0,0|2,0,0]=4 120 B15R2.1824 O=C1NC2=CC=C(Cl)C=C2C=C1CCl 1048931 [0,2,0,0,0,0|2,0,0]=4 121 B15R2.1824 O=CC1=CC2=CC(Br)=CC=C2NC1=O 7020691373 [0,2,0,0,0,0|1,0,1]=4 122 B15R2.1824 O=CC1=CC2=CC(F)=CC=C2NC1=O 7020691360 [0,2,0,0,0,0|1,0,1]=4 123 B15R2.21243 C(=O)C1=CC2=CC=CC=C2N(C)C1=O 7119900023 [0,2,0,0,0,0|1,0,1]=4 124 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 7119900024 [0,2,0,0,0,0|1,0,0]=3 125 B15R2.63893 CC1=C(Br)C(=O)OC2=CC(O)=CC=C21 1106822 [0,2,0,0,0,0|1,0,0]=3 126 B15R2.63893 CC1=C(C)C2=CC=C(O)C=C2OC1=O 1090184 [0,2,0,0,0,0|1,0,0]=3 127 B15R2.63893 CC1=C(Cl)C(=O)OC2=C1C=CC(O)=C2 3020729 [0,2,0,0,0,0|1,0,0]=3 128 B15R2.63893 CC1=C(F)C(=O)OC2=CC(O)=CC=C21 3459785 [0,2,0,0,0,0|1,0,0]=3 129 B15R2.63893 CC1=CC2=CC(N)=CC=C2N(C)C1=O 5681569 [0,2,0,0,0,0|2,0,0]=4 130 B15R2.21336 CC1=CC2=CC(CN)=CC=C2NC1=O 1192148 [0,2,0,0,0,0|2,0,0]=4 131 B15R2.21336 COC1=CC=C2C=C(C)C(=O)NC2=C1 3463693 [0,2,0,0,0,0|2,0,0]=4 132 B15R2.21336 COC1=CC=C2NC(=O)C(C)=CC2=C1 3463694 [0,2,0,0,0,0|2,0,0]=4 133 B15R2.62227 CC1=CC2=CC(C)=C(C)C=C2NC1=O 3463690 [0,2,0,0,0,0|2,0,0]=4 134 B15R2.63633 CC1=CC2=C(C)C=CC(C)=C2NC1=O 3463692 [0,2,0,0,0,0|2,0,0]=4 135 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 1178898 [0,0,1,1,0,0|1,0,0]=3 136 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 7013890553 [0,0,1,1,0,0|1,0,0]=3 137 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 6314184 [0,0,1,1,0,0|2,0,0]=4 138 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 2083827 [0,0,1,1,0,0|2,0,0]=4 139 B11R1.35 C\C(=C/C1=CC=CS1)C(=O)O 1048338 [0,0,1,0,1,0|2,0,0]=4 140 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 3355149 [0,0,1,0,1,0|1,0,1]=4 141 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 1188626 [0,0,1,0,1,0|1,0,1]=4 142 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 2829226 [0,0,1,0,1,0|1,0,1]=4 143 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 3585975 [0,0,1,0,1,0|1,0,1]=4 144 B11R1.36 O=C(C1=CC=CC=C1)C(O)O 12405446 [0,0,1,0,1,0|1,0,1]=4 145 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 1780492 [0,0,1,0,1,0|1,0,1]=4 146 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 1779303 [0,0,1,0,1,0|0,0,1]=3 147 B11R1.222 O=C(NO)C1=CC=CC=C1O 7119720021 [0,0,1,0,1,0|2,0,0]=4 148 B11R2.1 CN1C=CC2=C1C=CC=C2 2826786 [1,0,0,0,1,0|2,0,0]=4 149 B11R2.1 O=C1CCC2=CC=CC=C12 1202552 [1,0,0,0,1,0|0,0,2]=4 150 B11R2.1 O=C1NCC2=C1C=CC=C2 2422687 [1,0,0,0,1,0|1,0,1]=4 151 B11R2.1 O=C1OCC2=C1C=CC=C2 2826988 [1,0,0,0,1,0|1,0,1]=4 152 B11R2.1 OC1=NNC2=CC=CC=C21 7020542804 [1,0,0,0,1,0|2,0,0]=4 153 B11R2.1 OC1=NOC2=CC=CC=C21 5011377 [1,0,0,0,1,0|1,0,0]=3 154 B11R2.10 CC1=CC2=CC=CC=C2N1 7210741752 [1,0,0,0,1,0|2,0,0]=4 155 B11R2.10 CC1=CC2=CC=CC=C2S1 3504244 [1,0,0,0,1,0|1,1,0]=4 156 B11R2.10 O=C1CC2=CC=CC=C2C1 15296930 [1,0,0,0,1,0|1,0,1]=4 157 B11R2.10 O=C1CC2=CC=CC=C2N1 7017680945 [1,0,0,0,1,0|1,0,1]=4 158 B11R2.10 O=C1NC2=CC=CC=C2N1 7214190567 [1,0,0,0,1,0|2,0,0]=4 159 B11R2.10 O=C1NC2=CC=CC=C2O1 2129121 [1,0,0,0,1,0|1,0,0]=3 160 B11R2.10 O=C1NC2=NC=CC=C2O1 1499982 [1,0,0,0,1,0|2,0,0]=4 161 B11R2.10 S=C1NC2=C(C=CC=C2)O1 2829241 [1,0,0,0,1,0|1,1,0]=4 162 B13R1.351 NC(=S)C(=O)OCC1=CC=CC=C1 15380576 [0,0,1,0,0,1|1,1,0]=4 163 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2049032 [0,0,1,0,0,1|0,0,1]=3