0 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 7960AD [0,0,0,0,0,0|1,0,2]=3 1 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 7615AD [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [1,0,0,0,0,0|2,0,1]=4 3 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [1,0,0,0,0,0|3,0,0]=4 4 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [1,0,0,0,0,0|3,0,0]=4 5 B10R1.15 CSC(=N)C1=CC=NC=C1 0163AD [1,0,0,0,0,0|3,0,0]=4 6 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [1,0,0,0,0,0|3,0,0]=4 7 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [1,0,0,0,0,0|1,0,2]=4 8 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [1,0,0,0,0,0|1,0,2]=4 9 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.12 CC1=CC=C(C(C=O)C=O)C=C1 9043AD [0,1,0,0,0,0|1,0,1]=3 12 B12R1.12 O=CC(C=O)C1=CC=C(Cl)C=C1 5196AE [0,1,0,0,0,0|1,0,1]=3 13 B12R1.478 CCC(C(N)=O)C1=CC=CC=C1 H642 [0,1,0,0,0,0|0,0,2]=3 14 B12R1.478 CCN(C(C)=O)C1=CC=CC=C1 5694AF [0,1,0,0,0,0|1,0,1]=3 15 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 1172AL [0,1,0,0,0,0|0,0,2]=3 16 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 1255AL [0,1,0,0,0,0|0,0,2]=3 17 B12R1.478 O=C(Cl)N(CCl)C1=CC=CC=C1 S862 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.1 NCC1=CNC2=C1C=CC=C2 W4590 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.1 O=CC1=CC=C2C=COC=C12 W1751 [0,0,0,1,0,0|1,0,1]=3 20 B12R2.1 OCC1=CNC2=CC=CC=C12 2717AD [0,0,0,1,0,0|1,0,2]=4 21 B12R2.1 OCC1=CSC2=CC=CC=C12 Y9385 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [2,0,0,0,0,0|1,0,0]=3 23 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [2,0,0,0,0,0|1,0,0]=3 25 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [2,0,0,0,0,0|1,0,1]=4 26 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [2,0,0,0,0,0|2,0,0]=4 27 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [2,0,0,0,0,0|2,0,0]=4 28 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|1,0,0]=3 29 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [2,0,0,0,0,0|2,0,0]=4 30 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [2,0,0,0,0,0|2,0,0]=4 31 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 O=C=NC1=CC=CC=C1 9929AF [2,0,0,0,0,0|1,0,1]=4 39 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,1,0,0,0,0|0,0,1]=3 41 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,1,0,0,0,0|0,0,1]=3 42 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X8846 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [1,1,0,0,0,0|1,0,0]=3 44 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [1,1,0,0,0,0|1,0,1]=4 45 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 1099AL [1,1,0,0,0,0|1,0,0]=3 46 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [1,1,0,0,0,0|0,0,0]=2 47 B11R1.36 FC(F)=C(F)C1=CC=CC=C1 3823AE [1,1,0,0,0,0|2,0,0]=4 48 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [1,1,0,0,0,0|1,0,1]=4 49 B13R1.79 CSC\C(C=O)=C/C1=CC=CC=C1 U253 [0,1,0,0,0,1|0,0,1]=3 50 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O 4061AD [0,1,0,0,0,1|0,0,2]=4 51 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(N)=O Y2969 [0,1,0,0,0,1|1,0,1]=4 52 B13R1.713 CN(C)\C=C(/C#N)C1=CC=CC=C1 6114AD [0,2,0,0,0,0|1,0,1]=4 53 B13R1.1111 O=C([O-])C(C(=O)[O-])C1=CC=CC=C1 6618AH [0,2,0,0,0,0|1,0,1]=4 54 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [1,0,0,1,0,0|1,0,1]=4 55 B11R2.1 C[N+]1=CSC2=C1C=CC=C2 6111AL [1,0,0,1,0,0|1,1,0]=4 56 B11R2.1 IC1=CNC2=C1C=CC=C2 2307AJ [1,0,0,1,0,0|2,0,0]=4 57 B11R2.1 NC1=CNC2=C1C=CC=C2 8737AE [1,0,0,1,0,0|2,0,0]=4 58 B11R2.1 OC1=CSC2=CC=CC=C12 Z5532 [1,0,0,1,0,0|1,0,1]=4 59 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 2228AJ [0,0,0,1,0,1|1,0,0]=3 60 B13R2.64 C1=CC=C(CC2=CSC=C2)C=C1 Z5498 [0,0,0,1,0,1|0,1,1]=4 61 B13R2.64 C1=CC=C(OC2=COC=C2)C=C1 7114AE [0,0,0,1,0,1|0,0,2]=4 62 B13R2.64 C1=CC=C(SC2=CSC=C2)C=C1 Y7766 [0,0,0,1,0,1|0,1,1]=4 63 B13R2.1 O=C=NC1=CNC2=CC=CC=C12 5954AE [0,1,0,1,0,0|1,0,1]=4 64 B13R2.1 O=CCC1=CNC2=C1C=CC=C2 2170AB [0,1,0,1,0,0|1,0,0]=3 65 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 Y8690 [0,1,0,1,0,0|0,0,2]=4 66 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CO1 Y2096 [0,1,0,1,0,0|1,0,1]=4 67 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 3450AA [0,1,0,1,0,0|1,0,0]=3 68 B13R2.1613 O=CC1=C2C=CN=CC2=CN=C1 X6529 [0,1,0,1,0,0|1,0,1]=4 69 B13R2.1613 O=CC1=CC=NC2=NC=CC=C12 9864AB [0,1,0,1,0,0|1,0,1]=4 70 B13R2.1613 O=CC1=NC=NC2=CC=CC=C21 5829AC [0,1,0,1,0,0|1,0,0]=3 71 B13R2.12 CC1=CC=C(C2=COC=C2)C=C1 X6557 [0,1,0,1,0,0|0,0,2]=4 72 B13R2.12 CC1=CC=C(C2=CON=C2)C=C1 X5438 [0,1,0,1,0,0|1,0,1]=4 73 B13R2.13 CC1=CC(C2=COC=C2)=CC=C1 X6559 [0,1,0,1,0,0|0,0,2]=4 74 B13R2.13 CC1=CC(C2=CON=C2)=CC=C1 X5430 [0,1,0,1,0,0|1,0,1]=4 75 B13R2.18 CC1=CC=CC=C1C2=COC=C2 X6562 [0,1,0,1,0,0|0,0,2]=4 76 B13R2.18 CC1=CC=CC=C1C2=CON=C2 X5424 [0,1,0,1,0,0|1,0,1]=4 77 B13R2.135 O=CC1=C(Cl)NC2=C1C=CN=C2 1643AJ [0,1,0,1,0,0|2,0,0]=4 78 B13R2.72 CC(=O)C1=CSC2=CC=CC=C21 E546 [0,1,0,1,0,0|0,1,0]=3 79 B13R2.72 NC(N)=C1C=NC2=CC=CC=C21 1899AC [0,1,0,1,0,0|2,0,0]=4 80 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 9220AH [0,1,0,1,0,0|1,0,1]=4 81 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,0,0,0,1|1,0,0]=3 82 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 Z3501 [1,0,0,0,0,1|1,0,0]=3