0 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 CC1=NC=CN=C1\C=N/O N10113 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.4 CCNC1=NC=CC=C1N AC7989 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.4 CCOC1=C(N)N=CN=C1 O11423 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.20 CCC1=CC=CN=C1C#N 50481 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.20 COC1=CC=CN=C1CCl 27916 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.20 COC1=NC=CC=C1CN 36590 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.20 COC1=NC=CN=C1C=O P10873 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.20 COC1=NC=CN=C1CN C71765 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.75 CC(C)OC1=C(CN)C=CC=C1 S10925 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=N1 N14894 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.283 CCOC1=C(C(N)=O)C=CC=N1 D75012 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 N13079 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1384 [0,0,0,1,0,0|3,0,0]=4 26 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C80018 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.41 C1=CN=C2CCCCCC2=C1 F53451 [0,0,0,1,0,0|2,0,0]=3 28 B12R2.41 C1=CN=C2NCCNCC2=C1 AT20009 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 E71333 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.1081 O=C1CCCC2=NC=CN=C12 P11622 [0,0,0,1,0,0|2,0,1]=4 33 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,0,0,1,0,0|3,0,0]=4 34 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,0,0,1,0,0|3,0,0]=4 35 B12R2.2048 NCC1=NC=CC=C1C2CC2 C91069 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 CCNC1=NC=CN=C1 C76036 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 NCCC1=NC=CN=C1 AT22557 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 CC1=CC=CN=C1CBr D97530 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 CC1=NC=CN=C1CCl P17257 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.15 CC1=NC=CN=C1CN 38702 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.15 CCC1=CC=CN=C1C 75814 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 CCC1=CN=CN=C1O C15413 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [2,0,0,0,0,0|2,0,0]=4 48 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.17 CC1=CC=CN=C1CCCN W10139 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.81 CCOC1=NC=C(C)N=C1Br 93936 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.86 CC(C)OC1=C(I)C=CC=N1 76901 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.182 CCNC1=C(N)N=CC(Br)=N1 23955 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.182 CCOC1=CC(Br)=CN=C1N 92665 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.37 CNC1=C(OC)N=C(Br)C=N1 N11685 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y10459 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.37 COC1=C(CO)C=CC(Br)=N1 Y10714 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.37 COC1=C(NN)N=C(Br)C=N1 BL010271 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.37 COC1=C(OC)N=C(Br)C=C1 AB21165 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.37 COC1=CC(Br)=CN=C1CO 97691 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.37 COC1=CC(Cl)=CN=C1OC N10224 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.37 COC1=CC(O)=CN=C1OC D75062 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.37 COC1=NC=C(Br)C=C1CN 37594 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.53 COC1=C([C@H](C)N)N=CC=C1 90521 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.53 CSC1=NC=CN=C1C(C)C F18029 [1,1,0,0,0,0|0,1,0]=3 76 B11R1.265 CCC1=CC=CC(O)=C1OC O11000 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.382 CCOC1=C([C@@H](N)CC)C=CC=C1 N12645 [0,2,0,0,0,0|2,0,0]=4 78 B13R1.485 CCOC1=C(CCCO)C=CC=C1 C77737 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,0,1,1,0,0|0,0,2]=4 80 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [1,0,0,1,0,0|2,0,0]=4 82 B11R2.106 NC1=C2OCCC2=CC=N1 F53509 [1,0,0,1,0,0|2,0,0]=4 83 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [1,0,0,1,0,0|2,0,0]=4 84 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,0,0,1,0,0|2,0,0]=4 85 B11R2.36 C[C@H]1CCC2=CC=NN2C1 56905 [0,0,0,1,1,0|2,0,0]=4 86 B11R2.36 C[C@H]1CCN2N=CC=C2C1 56894 [0,0,0,1,1,0|2,0,0]=4 87 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 F30281 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50369 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.57 OC[C@H]1COC2=C(C=CC=N2)O1 W10535 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.573 CCC1=C2OC[C@H](N)C2=CC=C1 N16576 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.573 CCC1=C2OC[C@H](N)C2=CC=C1 N16577 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.573 CCC1=C2OC[C@H](N)C2=CC=C1 N16578 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.155 C[C@H]1CCC2=C(C=C(Br)C=C2)O1 94713 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.33 CCOC1=C(C)C=CS1 91672 [1,0,0,0,1,0|1,0,0]=3 95 B9R1.14 CCN1C=CN=C1CBr AT15681 [1,0,0,0,1,0|2,0,0]=4 96 B9R1.14 CCN1C=CN=C1CCl AT15684 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.14 CCN1C=CN=C1CN AT15633 [1,0,0,0,1,0|2,0,0]=4 98 B9R1.14 CCN1C=CN=C1CN D73529 [1,0,0,0,1,0|2,0,0]=4 99 B9R1.14 CCN1C=CN=C1CO W12209 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.14 CCN1N=CC=C1CCl AT15932 [1,0,0,0,1,0|2,0,0]=4 101 B9R1.14 CCN1N=CC=C1CN AT14325 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.14 COC1=NSC=C1CCl AT11782 [1,0,0,0,1,0|2,0,0]=4