0 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 OR315228 [0,0,0,0,0,0|0,0,2]=2 1 B13R1.42 CCOC(=O)C#CC1=CC=CN=C1 OR470614 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.42 CCOC(=O)C#CC1=NC=CC=C1 OR470613 [0,0,0,0,0,0|1,0,2]=3 3 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 OR470607 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.42 CCOC(=O)CCC1=CC=NC=C1 OR470608 [0,0,0,0,0,0|1,0,2]=3 5 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 OR25664 [0,0,0,0,0,0|1,0,1]=2 6 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 OR303597 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.42 CCOC(=O)\C=C\C1=CN=CC=C1 OR303585 [0,0,0,0,0,0|1,0,0]=1 8 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 OR303583 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.42 O=C(\C=C\C1=CC=CC=C1)N=C=S OR28419 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.27 COC(=O)C#CC1=CC=CC=C1 OR315233 [1,0,0,0,0,0|0,0,2]=3 11 B12R1.27 COC(=O)C#CC1=CC=NC=C1 OR470615 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.27 COC(=O)CCC1=NC=CC=C1 OR470609 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.27 COC(=O)COC1=CC=CC=C1 OR8842 [1,0,0,0,0,0|1,0,1]=3 14 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 OR350234 [1,0,0,0,0,0|0,0,0]=1 15 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 OR301198 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.27 O=C(CCl)COC1=CC=CC=C1 OR311224 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 OR303240 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.29 CCOC(=O)CC(=O)C1=CC=CN=C1 OR400142 [0,1,0,0,0,0|1,0,1]=3 19 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 OR300756 [0,1,0,0,0,0|0,0,2]=3 20 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 OR300757 [0,1,0,0,0,0|0,0,2]=3 21 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 OR350163 [0,1,0,0,0,0|0,0,2]=3 22 B14R1.29 CCOC(=O)N[C@@H](C)C1=CC=CC=C1 OR470088 [0,1,0,0,0,0|1,0,1]=3 23 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 PC510104 [0,1,0,0,0,0|1,0,1]=3 24 B14R1.32 CCOC(=O)COC1=CC=CC(I)=C1 OR318049 [0,1,0,0,0,0|1,0,1]=3 25 B14R1.60 [C@H](N)(CC1=CC=CC=C1)C(=O)OCC OR28736 [0,1,0,0,0,0|0,0,2]=3 26 B14R2.203 CCN1C(=O)COC2=C1C=CC=C2 OR52439 [0,0,0,1,0,0|2,0,1]=4 27 B14R2.203 COC1=C(Br)C=CC2=C1C=CC=C2 OR111505 [0,0,0,1,0,0|3,0,0]=4 28 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 OR315293 [0,0,0,1,0,0|2,0,1]=4 29 B14R1.520 CCOC(=O)CCNC1=CC=CC=C1 OR300754 [0,0,0,0,0,1|0,0,2]=3 30 B13R1.337 CC(=O)\C=C\C=C\C1=CC=CC=C1 OR23890 [1,1,0,0,0,0|1,0,1]=4 31 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 BICR112 [1,1,0,0,0,0|0,0,2]=4 32 B13R1.14 COC(=O)COC1=CC=C(I)C=C1 OR310454 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 OR322013 [1,1,0,0,0,0|0,0,0]=2 34 B13R1.14 COC(=O)\C=C\C1=CC=C(N)C=C1 OR11332 [1,1,0,0,0,0|0,0,0]=2 35 B13R1.15 COC(=O)\C=C\C1=CC=CC(F)=C1 PC3279 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 OR322217 [1,1,0,0,0,0|0,0,2]=4 37 B13R1.528 COC(=O)CCC1=CC=CC=C1Br OR350280 [1,1,0,0,0,0|0,0,2]=4 38 B13R1.19 CCOC(=O)CC1=CC=C(F)C=C1 PC408245 [0,1,0,0,1,0|0,0,1]=3 39 B13R1.19 CCOC(=O)CC1=CC=C(I)C=C1 OR110943 [0,1,0,0,1,0|0,0,1]=3 40 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 OR11216 [0,1,0,0,1,0|1,0,0]=3 41 B13R1.47 CCOC(=O)[C@@H](O)C1=CC=CC=C1 OR350174 [0,1,0,0,1,0|0,0,1]=3 42 B13R1.47 CCOC(=O)[C@H](O)C1=CC=CC=C1 OR350172 [0,1,0,0,1,0|0,0,1]=3 43 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 OR310625 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 PC7118 [0,1,0,0,1,0|0,0,1]=3 45 B13R1.33 CCOC(=O)CC(=O)C1=COC=C1 OR400173 [0,1,0,0,1,0|1,0,1]=4 46 B13R1.33 CCOC(=O)CC(=O)C1=CSC=C1 OR400169 [0,1,0,0,1,0|1,0,1]=4 47 B15R1.11 CCOC(=O)CCNC1=CC=C(F)C=C1 PC6097 [0,1,0,0,0,1|0,0,2]=4 48 B15R1.11 CCOC(=O)CCSC1=CC=C(F)C=C1 PC32470 [0,1,0,0,0,1|0,0,2]=4 49 B15R1.809 CCOC(=O)\C=C(/C)NC1=CC=CC=C1 OR21126 [0,1,0,0,0,1|0,0,0]=2 50 B15R1.826 CCOC(=O)[C@H](O)CCC1=CC=CC=C1 OR307153 [0,1,0,0,0,1|0,0,2]=4 51 B15R1.826 CCOC(=O)\C(Cl)=N\NC1=CC=CC=C1 OR322310 [0,1,0,0,0,1|1,0,0]=3 52 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Br)N=C1 OR470268 [0,2,0,0,0,0|1,0,1]=4 53 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(Cl)C=C1 OR346250 [0,2,0,0,0,0|0,0,1]=3 54 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(F)C=C1 PC9093 [0,2,0,0,0,0|0,0,1]=3 55 B15R1.24 CCOC(=O)CC(=O)C1=CC(F)=CC=C1 PC1849 [0,2,0,0,0,0|0,0,1]=3 56 B15R1.24 CCOC(=O)CC(N)C1=CC(Br)=CC=C1 OR111502 [0,2,0,0,0,0|0,0,2]=4 57 B15R1.1002 COC(=O)C(=O)\C=C\C1=CC=CC(Cl)=C1 OR303158 [0,2,0,0,0,0|2,0,0]=4 58 B15R1.10390 CCOC(=O)CNC1=CC(Cl)=C(F)C=C1 PC8623 [0,2,0,0,0,0|1,0,1]=4 59 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(Cl)C=C1 OR322620 [0,2,0,0,0,0|1,0,0]=3 60 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(F)C=C1 PC4896 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.48 CCOC(=O)C(N)CC1=CC=C(Cl)C=C1 OR322220 [0,2,0,0,0,0|0,0,2]=4 62 B15R1.791 CCOC(=O)\C=C\C1=CC=C(F)C=C1F PC7253 [0,2,0,0,0,0|0,0,0]=2 63 B15R1.793 CCOC(=O)\C=C\C1=CC=C(OC)C=C1 OR4808 [0,2,0,0,0,0|0,0,0]=2 64 B15R1.1001 COC(=O)C(=O)\C=C\C1=CC=C(Br)C=C1 OR303171 [0,2,0,0,0,0|2,0,0]=4 65 B15R1.1323 COC(=O)C(=O)\C=C\C1=CC=CC=C1Br OR303101 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.464 CCOC(=O)C1=NC=CC=C1C=O OR303904 [0,0,1,1,0,0|2,0,0]=4 67 B13R1.446 CCOC(=O)C1=C(Br)C=CC(F)=C1 PC53349 [0,0,1,1,0,0|2,0,0]=4 68 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 OR110167 [0,0,1,1,0,0|1,0,1]=4 69 B13R1.446 CCOC(=O)C1=C(O)C=CC(F)=C1 PC10376 [0,0,1,1,0,0|2,0,0]=4 70 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1F PC201270 [0,0,1,1,0,0|2,0,0]=4 71 B13R1.446 CCOC(=O)C1=CC(Cl)=CC=C1F PC300718 [0,0,1,1,0,0|2,0,0]=4 72 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1F PC201287 [0,0,1,1,0,0|2,0,0]=4 73 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1F PC201304 [0,0,1,1,0,0|2,0,0]=4 74 B13R2.1613 BrCC1=C2C=CC=CC2=CC=C1 OR350420 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.1613 COC1=C2C=CC=CC2=CC=C1 OR350223 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 OR350290 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.33 O=C1CCC2=CC=CC=C2CC1 OR310416 [1,0,0,1,0,0|0,0,2]=4 78 B13R2.163 O=C1CCCC2=CC=CC=C2N1 OR301054 [0,0,0,1,1,0|2,0,0]=4 79 B15R2.73 CCOC(=O)C1=CN=C2N=CC=CN12 OR110094 [0,0,0,1,0,1|2,0,0]=4 80 B15R2.73 CCOC(=O)C1=NNC2=C1C=CN=C2 OR301224 [0,0,0,1,0,1|2,0,0]=4 81 B15R2.73 CCOC(=O)C1=NNC2=CC=CN=C21 OR305461 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.543 O=C1C=C(C2=CC=CC=C2)NCCN1 OR303942 [0,1,0,1,0,0|1,0,0]=3 83 B15R2.886 CCCC1=CC(N)=C2C=CC=CC2=N1 OR309309 [0,1,0,1,0,0|2,0,0]=4 84 B15R2.2248 CCN1N=C(C2=CC=CC=C2)C=C1N OR306175 [0,1,0,1,0,0|2,0,0]=4 85 B15R2.1290 CCOC1=CC=C2N=CC=C(Cl)C2=C1 OR307967 [0,1,0,1,0,0|2,0,0]=4 86 B15R2.1290 CCOC1=CC=C2N=CC=C(N)C2=C1 OR307944 [0,1,0,1,0,0|2,0,0]=4 87 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 OR309240 [0,1,0,1,0,0|2,0,0]=4 88 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=N2)N1 OR321483 [0,1,0,1,0,0|1,0,0]=3 89 B15R2.1356 CCOC(=O)C1=CC2=CC=NC=C2O1 OR302015 [0,1,0,1,0,0|1,0,0]=3 90 B15R2.1356 CCOC(=O)C1=CC2=NC=CC=C2S1 OR111150 [0,1,0,1,0,0|1,0,0]=3 91 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 OR111305 [0,1,0,1,0,0|1,0,0]=3 92 B15R2.1356 CCOC(=O)C1=CN2C=CC=NC2=N1 OR110046 [0,1,0,1,0,0|2,0,0]=4 93 B15R2.1356 CCOC(=O)C1=CN2C=CN=CC2=N1 OR301337 [0,1,0,1,0,0|2,0,0]=4 94 B15R2.1162 CC(N)C1=C(O)C=CC2=CC=CC=C21 OR307641 [0,1,0,1,0,0|1,0,1]=4 95 B11R1.25 COC(=O)\C=C\C1=CC=CN1 OR302238 [1,0,0,0,1,0|1,0,0]=3 96 B11R1.25 COC(=O)\C=C\C1=CC=CS1 OR25428 [1,0,0,0,1,0|1,0,0]=3 97 B11R1.40 O=C(CBr)NC1=CC=CC=C1 OR346345 [1,0,0,0,1,0|2,0,0]=4 98 B11R1.40 O=C(CCl)OC1=CC=CC=C1 OR25299 [1,0,0,0,1,0|2,0,0]=4 99 B11R1.16 CCOC(=O)C1=NC=CN=C1 OR110404 [0,0,0,0,2,0|2,0,0]=4 100 B11R1.30 CCOC(=O)CC1=CSC=C1 OR6630 [0,0,0,0,2,0|1,0,1]=4