0 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 CS-B0170 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 CS-0059277 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 CS-0047181 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS-W008991 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS-0054139 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 CS-0100540 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.86 CC(C)OC1=CC=CC=C1N CS-W002583 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.86 CC(C)OC1=NC=CC=C1Br CS-0097339 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS-W021389 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.86 O=C(O)CN1C=CC=CC1=O CS-0038742 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.157 CC(=O)NC1=NC(N)=CC=C1 CS-B0370 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.157 CC(C)OC1=CC(Br)=CC=N1 CS-0036316 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 CS-M1734 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.157 CC(C)OC1=CC=CC(O)=C1 CS-0032819 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 CS-M0494 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 CS-0060700 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 CS-W008629 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS-0028779 [0,1,0,0,0,0|2,0,1]=4 26 B11R2.10 BrC1CC2=C(C=CC=C2)C1 CS-0042740 [0,0,0,1,0,0|2,0,1]=4 27 B11R2.10 IC1=NC2=CC=CC=C2S1 CS-W005648 [0,0,0,1,0,0|2,1,0]=4 28 B11R2.10 O=C1NC2=C(C=NC=C2)N1 CS-W021327 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.10 OC1=NC2=CC=CC=C2N1 CS-W008003 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.6 CC(=O)C1=CN=CN=C1 CS-D0295 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.6 CC(=O)C1=NC=NC=C1 CS-0005388 [0,0,0,0,1,0|2,0,0]=3 32 B9R1.6 CC(Cl)C1=CN=CC=C1 CS-0046962 [0,0,0,0,1,0|2,0,1]=4 33 B9R1.6 CC(N)C1=CC=NC=C1 CS-0109447 [0,0,0,0,1,0|2,0,1]=4 34 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [0,0,0,0,1,0|2,0,1]=4 35 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [0,0,0,0,1,0|2,0,1]=4 36 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [0,0,0,0,1,0|2,0,1]=4 37 B9R1.6 NC(=O)C1=NC=CC=C1 CS-0020700 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.6 O=C(O)C1=CN=CN=C1 CS-B0029 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0013645 [0,0,0,0,1,0|1,0,0]=2 40 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 CS-W021781 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 CS-W021780 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS-W021067 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.2 O=CC1=NC=CC=N1 CS-0048725 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 O=CC1=NC=CN=C1 CS-W009118 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.1 CCOC1=CN=C(N)C=C1 CS-W022370 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.1 CCOC1=NC=C(Br)C=C1 CS-0014710 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.10 CNCC1=CC=CC(Cl)=C1 CS-0030402 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.17 O=CC#CC1=CC=CC=C1 CS-W009214 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS-W019730 [0,1,0,0,1,0|1,0,0]=3 52 B10R1.13 CC(=O)C1=CC=C(C)N=C1 CS-B0461 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS-0040244 [0,1,0,0,1,0|1,0,0]=3 54 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS-W018594 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.13 CC(=O)C1=NC=C(O)C=C1 CS-W021245 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0000299 [0,1,0,0,1,0|1,0,1]=4 57 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [0,1,0,0,1,0|1,0,0]=3 58 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS-W008333 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-W008911 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [0,1,0,0,1,0|0,0,2]=4 62 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 CS-W022338 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.13 O=C(O)C1=CC=C(F)N=C1 CS-W019722 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS-D0613 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [0,1,0,0,1,0|0,0,2]=4 66 B10R1.28 CS(=N)(=O)C1=CC=CC=C1 CS-0047091 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS-W013166 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.61 CC(=O)C1=C(F)N=CC=C1 CS-0044029 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.61 CC(=O)C1=CC=CC=C1Br CS-W007689 [0,1,0,0,1,0|0,0,0]=2 70 B10R1.61 CC(=O)C1=CC=CNC1=O CS-W008721 [0,1,0,0,1,0|1,0,0]=3 71 B10R1.61 CN(C)C1=CC=CC=C1N CS-W008997 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 CS-B0638 [0,1,0,0,1,0|0,0,2]=4 73 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 CS-B0639 [0,1,0,0,1,0|0,0,2]=4 74 B10R1.61 O=C(O)C1=C(F)C=CN=C1 CS-0040491 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.61 O=C(O)C1=NC=CC=C1Br CS-W002771 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.61 O=C(O)C1=NC=CC=C1I CS-W021949 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS-W015631 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS-0101623 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS-W008996 [0,1,0,0,1,0|1,0,0]=3 80 B10R1.113 CC(=O)C1=CC(Cl)=CC=N1 CS-0037389 [0,1,0,0,1,0|1,0,0]=3 81 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CS-M0495 [0,1,0,0,1,0|1,0,0]=3 82 B10R1.113 CC(=O)C1=NC(Cl)=CC=C1 CS-0043942 [0,1,0,0,1,0|1,0,0]=3 83 B10R1.113 CC(N)C1=CC=CC(F)=C1 CS-0040943 [0,1,0,0,1,0|1,0,1]=4 84 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS-W005037 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 CS-W020506 [0,1,0,0,1,0|1,0,1]=4 86 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS-W008764 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 CS-0008494 [0,1,0,0,1,0|1,0,1]=4 88 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 CS-W020729 [0,1,0,0,1,0|2,0,0]=4 89 B10R1.113 NC1=CC=NC(C(=O)O)=C1 CS-W022082 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 CS-B1791 [0,1,0,0,1,0|1,0,0]=3 91 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS-W009049 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 CS-W018356 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.27 C=CC(=O)OCC1=CC=CC=C1 CS-W020607 [0,1,0,0,0,1|0,0,1]=3 94 B12R1.27 COC(=O)C#CC1=CC=CC=N1 CS-0036606 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W005117 [0,1,0,0,0,1|0,0,0]=2 96 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 CS-W019479 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O CS-0079975 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS-W004704 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 CS-0047271 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.19 CC1=C(N)C=C(OC(C)C)C=C1 CS-0038999 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 CS-W008407 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS-0038382 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 CS-0102796 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.20 [C@H](N)(C(=O)O)C1=CC=C(F)C=C1 CS-0043796 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 CS-B0171 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 CS-W005153 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1I CS-0038148 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 CS-0047037 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 CS-W020391 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 CS-0063908 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.32 CCOC(=O)CC1=NC=CC=C1 CS-0020135 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 CS-0079928 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.50 COC(=O)CC1=CC(Cl)=NC=C1 CS-0092628 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.50 COC(=O)CC1=CC=CC(C)=C1 CS-0088535 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.50 COC(=O)NC1=CC=CC(Br)=C1 CS-0037970 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.371 COC(=O)CC1=CC=CC=C1N CS-0042528 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.75 COC1=CC=CC=C1CC(N)=O CS-M2045 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.75 O=CC1=CC=CC=C1CC(=O)O CS-M2515 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.127 O=C(O)CC1=C(Br)C=CC(Br)=C1 CS-M3358 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.127 O=C(O)CC1=CC(Br)=CC=C1I CS-M3563 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.127 O=C(O)CC1=CC(Cl)=CC=C1Cl CS-0042646 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.224 O=C(O)CC1=C(F)C(Br)=CC=C1 CS-0041781 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl CS-W015390 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.438 CC(=O)NC1=CC=CC(CN)=C1 CS-B1322 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.438 O=CC1=CC(CC(=O)O)=CC=C1 CS-W021392 [0,2,0,0,0,0|2,0,0]=4 127 B10R2.7 C1=CC2=C(C=CO2)N=C1 CS-0049346 [1,0,0,1,0,0|1,0,1]=4 128 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,1,0,0|1,0,0]=3 129 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CS-W005598 [0,0,0,1,0,1|2,0,0]=4 130 B12R2.24 O=C1COC2=NC=CC=C2N1 CS-0030376 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.606 CC1=CC2=C(C=C(F)C=C2)N1 CS-0027056 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.606 CC1=CC2=C(C=CC(F)=C2)N1 CS-W007738 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.606 CC1=CC2=CC=C(O)C=C2O1 CS-0095467 [0,1,0,1,0,0|1,0,0]=3 134 B12R2.606 CC1=NC2=C(C=C(F)C=C2)N1 CS-W007029 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.606 CC1=NC2=C(C=CC(N)=C2)O1 CS-0035772 [0,1,0,1,0,0|1,0,0]=3 136 B12R2.606 CC1=NC2=C(C=CC(N)=C2)S1 CS-W017900 [0,1,0,1,0,0|1,1,0]=4 137 B12R2.606 CC1CC2=CC(Br)=CC=C2O1 CS-0037566 [0,1,0,1,0,0|1,0,1]=4 138 B12R2.606 FC1=CC=C2OC(=S)NC2=C1 CS-W005135 [0,1,0,1,0,0|1,1,0]=4 139 B12R2.606 FC1=CC=C2OC(Br)=CC2=C1 CS-0067182 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.606 N=C1NC2=C(C=C(Br)C=C2)O1 CS-W006120 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 CS-B0574 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 CS-0054232 [0,1,0,1,0,0|1,0,0]=3 143 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 CS-B0502 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 CS-M1385 [0,1,0,1,0,0|1,0,0]=3 145 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 CS-W009255 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 CS-0112390 [0,1,0,1,0,0|1,1,0]=4 147 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 CS-W020605 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.606 S=C1NC2=CC(Br)=CC=C2O1 CS-0041844 [0,1,0,1,0,0|1,1,0]=4 149 B12R2.18 CN1C(=O)NC2=C1C=NC=C2 CS-0086207 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.18 CN1C(=O)NC2=NC=CC=C21 CS-0086354 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.23 O=C1CCN1C2=CC=CC=C2 CS-0047218 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 CS-0038973 [0,1,0,1,0,0|1,1,0]=4 153 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS-W004828 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.95 O=S1(=O)CC2=C(C=CC=C2)N1 CS-0038994 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.202 CC1=CC2=C(C=CC=C2O)N1 CS-W008342 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.202 O=C1CC2=C(Cl)C=CN=C2N1 CS-0004789 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.202 O=C1CC2=C(F)C=CC=C2N1 CS-0032315 [0,1,0,1,0,0|1,0,0]=3 158 B12R2.202 O=C1CC2=CC=CC(Br)=C2C1 CS-0051004 [0,1,0,1,0,0|1,0,0]=3 159 B12R2.202 O=C1NC2=CC=CC(Cl)=C2S1 CS-0043170 [0,1,0,1,0,0|1,1,0]=4 160 B12R2.202 S=C1NC2=CC=CC(Cl)=C2O1 CS-0064118 [0,1,0,1,0,0|1,1,0]=4 161 B12R2.1286 FC1=CC(OC2CC2)=CC=C1 CS-0087977 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.7 CC(=O)C1=CNN=C1 CS-0044097 [0,0,0,0,2,0|2,0,0]=4 163 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS-W016075 [0,0,0,0,0,2|2,0,0]=4