0 B10R1.15 C#CC(C)C1=CC=CC=C1 CS-B0615 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 C#CC(O)C1=CC=CC=C1 CS-W013411 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 CS-0028334 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.15 C\C(=N\O)C1=NC=CC=C1 CS-M2152 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 OCC(O)C1=CC=CC=C1 CS-W016504 [0,0,0,0,0,0|2,0,0]=2 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|1,0,0]=2 7 B9R1.6 CC(N)C1=NC=CC=N1 CS-W021261 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.6 C[C@@H](N)C1=CC=CN=C1 CS-0029799 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 C[C@H](N)C1=CC=NC=C1 CS-0098146 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 C[C@H](N)C1=NC=CC=C1 CS-M3539 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 NC(=O)C1=NC=CC=C1 CS-0020700 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0013645 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CNCC1=NC=CC=C1 CS-0062387 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 CS-B0616 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.7 NCC(F)(F)C1=NC=CC=C1 CS-B0385 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.12 CCB(CC)C1=CC=CN=C1 CS-B0611 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.16 O=C(OCCl)C1=CC=CC=C1 CS-W004798 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.16 OC(CCCl)C1=CC=CC=C1 CS-W019837 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.22 C#CC(O)C1=CC=C(F)C=C1 CS-0047272 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.22 C\C(=N\O)C1=CC=C(Cl)C=C1 CS-M3526 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS-W009051 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 CS-W020378 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 CS-0046949 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 CS-0096195 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 CS-W017674 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.23 NC(CO)C1=CC=CC(Cl)=C1 CS-M2109 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 CS-0037552 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 CS-B0677 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 CS-B0678 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS-W008243 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CS-W021161 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 CS-0040444 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.222 CC1=CC=CC=C1C(=O)CBr CS-0029521 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.222 NCC(=O)C1=CC=CC=C1F CS-W021538 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CS-B1329 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl CS-0008415 [0,1,0,0,0,0|2,0,1]=4 39 B11R2.1 BrC1=NNC2=CC=CC=C21 CS-W007434 [0,0,0,1,0,0|2,0,1]=4 40 B11R2.1 CC1=NOC2=CC=CC=C21 CS-W008538 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.1 NC1COC2=CC=CC=C21 CS-0070832 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.1 NC1COC2=NC=CC=C21 CS-B1356 [0,0,0,1,0,0|3,0,0]=4 43 B11R2.40 NC1(C2=CC=CC=C2)CC1 CS-B0487 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.11 NCC(O)C1=CC=CO1 CS-0038432 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 CS-W018114 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.2 NCC1=CC=NC=C1 CS-W005997 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.2 NCC1=NC=NC=C1 CS-W018555 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 NNC1=CC=CC=N1 CS-W007453 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.2 NNC1=CC=CN=C1 CS-W021932 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 SCC1=NC=CC=C1 CS-D0562 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.13 CC(C)C1=NC=C(Br)C=N1 CS-0043184 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.13 CC1=CC=C(C(C)O)C=N1 CS-B0462 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0000299 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-W008911 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.13 CN(C)C1=NC=C(Br)C=C1 CS-0030447 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.13 CN(C)C1=NC=C(I)C=C1 CS-0045370 [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|1,0,0]=3 59 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.13 C[C@H](N)C1=CC=C(Br)N=C1 CS-0101411 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 CS-M0358 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [1,1,0,0,0,0|1,0,0]=3 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|1,0,0]=3 66 B10R1.61 CC(=O)C1=CC=CC=C1Br CS-W007689 [1,1,0,0,0,0|1,0,1]=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|1,0,0]=3 69 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 CS-B0638 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 CS-B0639 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.61 NC1=C(C(F)F)C=CC=C1 CS-0036038 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.113 CC(C)C1=NC=CC(Br)=C1 CS-0102081 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.113 CC(N)C1=CC=CC(F)=C1 CS-0040943 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.113 CC1=CC([C@@H](C)N)=CC=C1 CS-W020506 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.113 CN(C)C1=CC(Br)=NC=C1 CS-W005087 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.113 CN(C)C1=NC=CC(Br)=C1 CS-W006697 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 CS-0008494 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.113 N=C(N)C1=CC(Cl)=CC=C1 CS-W020729 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.113 NC1=CC(C(F)F)=CC=C1 CS-0037842 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.1 NCCC1=CC=C(Br)C=C1 CS-W009109 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.10 CC1=CC(CNN)=CC=C1 CS-0046882 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.10 CNCC1=CC=CC(Cl)=C1 CS-0030402 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 N#CCC1=CC=CC(Br)=C1 CS-W008786 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.10 N#CCC1=CC=CC(N)=C1 CS-W018941 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.17 FCCNC1=CC=CC=C1 CS-W023117 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.118 OCC(CO)CC1=CC=CC=C1 CS-M1742 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 CS-D0635 [0,2,0,0,0,0|0,0,2]=4 91 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 CS-M0468 [0,2,0,0,0,0|0,0,2]=4 92 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 CS-W010141 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.17 C=CCC(N)C1=CC=CC(Cl)=C1 CS-0084577 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 CS-M3606 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.367 OCC(O)C1=CC=C(Cl)C(F)=C1 CS-0084756 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.367 OC[C@H](O)C1=CC=C(Cl)C(F)=C1 CS-M3280 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.367 O[C@H](CCl)C1=CC=C(F)C(F)=C1 CS-0011366 [0,2,0,0,0,0|2,0,0]=4 99 B10R2.320 BrC1CC2=CC=CC=C21 CS-W017070 [1,0,0,1,0,0|1,0,0]=3 100 B10R2.320 O=C1CC2=C1C=CC=C2 CS-W022591 [1,0,0,1,0,0|1,0,1]=4 101 B10R2.7 C1=CN=C2NCCC2=C1 CS-B0149 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [0,0,0,1,0,1|1,0,0]=3 103 B12R2.32 C#CC1CC2=CC=CC=C2C1 CS-B0618 [0,0,0,1,0,1|1,0,1]=4 104 B12R2.116 NC1(C2=CC=CC=C2)COC1 CS-0046823 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.2403 CC1(O)CCC2=CC=CC=C21 CS-0047056 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.1 C#CC1CCC2=CC=CC=C21 CS-B0617 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 CS-W019085 [0,1,0,1,0,0|0,0,0]=2 108 B12R2.2 C1=CN=C(C2CCNC2)C=C1 CS-0028223 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [0,1,0,1,0,0|0,0,0]=2 110 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 CS-0079970 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 CS-0079961 [0,1,0,1,0,0|2,0,0]=4 112 B12R2.2028 CN1C=[N+](C)C2=CC=CC=C21 CS-0091484 [0,1,0,1,0,0|1,0,1]=4 113 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 CS-0002294 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 CS-0002341 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 CS-W020619 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.612 CC1=NNC2=C1C=CC(O)=C2 CS-W006810 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.612 CC1=NNC2=CC(Br)=CC=C21 CS-D0196 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 CS-0101114 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 CS-W023083 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 CS-0099142 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.612 OC1CCC2=CC(Br)=CC=C21 CS-0035517 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.612 O[C@@H]1CCC2=CC(Br)=CC=C21 CS-0037358 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.132 CC1=NNC2=C1C=C(N)C=C2 CS-W009222 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 CS-0101141 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.196 CC1=CNC2=C(Br)C=CC=C12 CS-0093897 [0,1,0,1,0,0|0,0,2]=4 126 B12R2.196 N[C@@H]1CCC2=C1C=CC=C2Br CS-0054964 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.196 N[C@H]1CCC2=C1C=CC=C2Br CS-0054965 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.1282 NC1(C2=CC=CC(F)=C2)CC1 CS-0002318 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.88 NC1(C2=CC=CC=C2F)CC1 CS-0002314 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.203 CC1=CNC2=CC=CC(O)=C12 CS-0038575 [0,1,0,1,0,0|0,0,2]=4 131 B12R2.203 OC1CCC2=C1C(Br)=CC=C2 CS-0101685 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.7 CC(N)C1=CN=CN1 CS-0062144 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.7 C[C@H](N)C1=CC=CS1 CS-0106541 [1,0,0,0,1,0|1,0,0]=3 134 B8R1.8 NCCN1C=CN=C1 CS-W005094 [1,0,0,0,1,0|2,0,0]=4 135 B8R1.8 OCCC1=CC=CO1 CS-0047160 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CS-W005117 [0,0,0,0,0,2|1,0,1]=4