0 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 CCC(=O)C1=NC=CC=N1 CS-0054932 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(Cl)C1=CN=CC=C1 CS-0046962 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 CC(N)C1=CC=NC=C1 CS-0109447 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.6 CC(N)C1=NC=CC=N1 CS-W021261 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0013645 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.6 OB(O)C1=CC=CC=N1 CS-W013543 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 OB(O)C1=CN=CC=C1 CS-D0809 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 CS-B0616 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.7 NCC(F)(F)C1=NC=CC=C1 CS-B0385 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.12 CCB(CC)C1=CC=CN=C1 CS-B0611 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.16 O=C(OCCl)C1=CC=CC=C1 CS-W004798 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS-W019837 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.22 C#CC(O)C1=CC=C(F)C=C1 CS-0047272 [0,1,0,0,0,0|0,0,2]=3 23 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 CS-0102088 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.22 COC(=O)C1=CC=C(S)C=C1 CS-0037057 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS-W009051 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 CS-W020378 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 CS-0046949 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 CS-0096195 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 CS-W017674 [0,1,0,0,0,0|1,0,2]=4 30 B11R1.23 CCC(=O)C1=NC(Br)=CC=C1 CS-0059800 [0,1,0,0,0,0|1,0,2]=4 31 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 CS-W020621 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.23 COC(=O)C1=CC(S)=CC=C1 CS-M0304 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.23 COC(=O)C1=CC=CC(N)=C1 CS-W018124 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 CS-M2109 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 CS-0037552 [0,1,0,0,0,0|1,0,2]=4 36 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 CS-B0677 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 CS-B0678 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS-W008243 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.222 CC1=CC=CC=C1C(=O)CBr CS-0029521 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.222 CNC(=O)C1=CC=CC=C1N CS-W004940 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.222 NCC(=O)C1=CC=CC=C1F CS-W021538 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl CS-0008415 [0,1,0,0,0,0|1,0,2]=4 45 B11R2.1 NC1=NCC2=CC=CC=C21 CS-B1325 [0,0,0,1,0,0|2,0,1]=4 46 B11R2.1 NC1COC2=CC=CC=C21 CS-0070832 [0,0,0,1,0,0|2,0,0]=3 47 B11R2.1 NC1COC2=NC=CC=C21 CS-B1356 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0487 [0,0,0,1,0,0|1,0,0]=2 49 B9R1.11 NCC(O)C1=CC=CO1 CS-0038432 [0,0,0,0,1,0|2,0,0]=3 50 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 OCC1=CN=CN=C1 CS-D0994 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 SCC1=NC=CC=C1 CS-D0562 [2,0,0,0,0,0|1,1,0]=4 54 B10R1.13 CC1=CC=C(C(C)O)C=N1 CS-B0462 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0000299 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-W008911 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.13 C[C@@H](N)C1=CC=C(Br)N=C1 CS-0101414 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 CS-0101411 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS-W008847 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.28 CS(=N)(=O)C1=CC=CC=C1 CS-0047091 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 CS-W013166 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.61 CC(=O)C1=CC=CC=C1Br CS-W007689 [1,1,0,0,0,0|0,0,2]=4 67 B10R1.61 CC(Cl)C1=C(F)C=NC=C1 CS-0047135 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 CN(C)C1=CC=CC=C1N CS-W008997 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 CS-B0638 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 CS-B0639 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.61 NC1=C(C(F)F)C=CC=C1 CS-0036038 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.61 OB(O)C1=CC=CC=C1Cl CS-D1476 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.113 CC(C)C1=NC=CC(Br)=C1 CS-0102081 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.113 CC(N)C1=CC=CC(F)=C1 CS-0040943 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 CS-W020506 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 CS-0008494 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.113 NC1=CC(C(F)F)=CC=C1 CS-0037842 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS-W004715 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.1 CCOC1=CN=C(N)C=C1 CS-W022370 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.1 CCOC1=NC=C(Br)C=C1 CS-0014710 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.4 CCNC1=C(N)C=NC=C1 CS-0047266 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.10 CC1=CC(CNN)=CC=C1 CS-0046882 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.10 CNCC1=CC=CC(Cl)=C1 CS-0030402 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.10 N#CCC1=CC=CC(Br)=C1 CS-W008786 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.10 N#CCC1=CC=CC(N)=C1 CS-W018941 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.18 CC(=O)CC1=NC=CC=C1 CS-W008575 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.18 CC(C)=CC1=CC=CC=C1 CS-W007259 [1,1,0,0,0,0|0,0,2]=4 93 B10R1.14 CC[C@@H](N)C1=CC=C(C)O1 CS-M1415 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 CS-0079928 [0,1,0,0,0,1|0,0,2]=4 95 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 CS-B0171 [0,1,0,0,0,1|0,0,2]=4 96 B12R1.118 OCC(CO)CC1=CC=CC=C1 CS-M1742 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 CS-W010141 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.17 C=CCC(N)C1=CC=CC(Cl)=C1 CS-0084577 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 CS-M3606 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [0,2,0,0,0,0|0,0,2]=4 102 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 CS-0105639 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.367 OCC(O)C1=CC=C(Cl)C(F)=C1 CS-0084756 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.367 OC[C@H](O)C1=CC=C(Cl)C(F)=C1 CS-M3280 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.367 O[C@H](CCl)C1=CC=C(F)C(F)=C1 CS-0011366 [0,2,0,0,0,0|1,0,0]=3 106 B10R2.320 BrC1CC2=CC=CC=C21 CS-W017070 [1,0,0,1,0,0|1,0,0]=3 107 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,1,0,0|0,0,2]=4 108 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [1,0,0,1,0,0|2,0,0]=4 109 B10R2.32 OC1CCN2C=CN=C12 CS-0028385 [0,0,0,1,1,0|2,0,0]=4 110 B12R2.23 O=C1CCN1C2=CC=CC=C2 CS-0047218 [0,0,0,1,0,1|0,0,2]=4 111 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [0,0,0,1,0,1|1,0,0]=3 112 B12R2.48 N#CC1(C2=NC=CC=C2)CC1 CS-0008674 [0,1,0,1,0,0|2,0,0]=4 113 B12R2.116 NC1(C2=CC=CC=C2)COC1 CS-0046823 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.2403 CC1(O)CCC2=CC=CC=C21 CS-0047056 [0,1,0,1,0,0|0,0,0]=2 115 B12R2.1 C#CC1CCC2=CC=CC=C21 CS-B0617 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.2 C1=CN=C(C2CCNC2)C=C1 CS-0028223 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 CS-M1733 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS-W007464 [0,1,0,1,0,0|0,0,2]=4 121 B12R2.1081 O=C1NCCC2=C1C=CC=C2 CS-W008863 [0,1,0,1,0,0|0,0,2]=4 122 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 CS-0079970 [0,1,0,1,0,0|0,0,0]=2 123 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 CS-0079961 [0,1,0,1,0,0|0,0,0]=2 124 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 CS-0002294 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 CS-0002341 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 CS-W020619 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101114 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 CS-W023083 [0,1,0,1,0,0|1,0,0]=3 129 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 CS-0099142 [0,1,0,1,0,0|1,0,0]=3 130 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS-W008687 [0,1,0,1,0,0|0,0,2]=4 131 B12R2.612 OC1CCC2=CC(Br)=CC=C21 CS-0035517 [0,1,0,1,0,0|0,0,0]=2 132 B12R2.612 O[C@@H]1CCC2=CC(Br)=CC=C21 CS-0037358 [0,1,0,1,0,0|0,0,0]=2 133 B12R2.132 NC1=CC2=C(C=C1)CCC2=O CS-W020513 [0,1,0,1,0,0|0,0,2]=4 134 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 CS-0101141 [0,1,0,1,0,0|1,0,0]=3 135 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 CS-B1314 [0,1,0,1,0,0|0,0,2]=4 136 B12R2.132 OB1OCC2=CC=C(F)C=C12 CS-0078611 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br CS-0054964 [0,1,0,1,0,0|1,0,0]=3 138 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br CS-0054965 [0,1,0,1,0,0|1,0,0]=3 139 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 CS-W008929 [0,1,0,1,0,0|0,0,2]=4 140 B12R2.196 OB1OCC2=C(F)C=CC=C12 CS-0078595 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.196 OC1CCC2=C(Br)C=NC=C21 CS-0047494 [0,1,0,1,0,0|1,0,0]=3 142 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 CS-0002318 [0,1,0,1,0,0|1,0,0]=3 143 B12R2.88 NC1(C2=CC=CC=C2F)CC1 CS-0002314 [0,1,0,1,0,0|1,0,0]=3 144 B12R2.203 O=C1CCC2=CC=CC(F)=C12 CS-D0686 [0,1,0,1,0,0|0,0,2]=4 145 B12R2.203 OC1CCC2=C1C(Br)=CC=C2 CS-0101685 [0,1,0,1,0,0|0,0,0]=2 146 B8R1.7 CC(O)C1=CN=CN1 CS-0036021 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.7 C[C@H](N)C1=CC=CS1 CS-0106541 [1,0,0,0,1,0|2,0,0]=4 148 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,0,0,0,1,0|2,0,0]=4