0 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 OR303002 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 OR11334 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 OR945143 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 OR6054 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 C#CCC(N)C1=CC=CC=C1 OR14851 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.16 CCCC(=O)C1=CC=CC=C1 OR60127 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.16 CCCC(N)C1=CN=CC=C1 OR470277 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.16 COC[C@H](N)C1=CC=CC=C1 OR316004 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.16 N#CCC(O)C1=CC=CC=C1 OR2846 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.16 NC(CCO)C1=CC=CC=C1 OR43504 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 OR24573 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 OR907023 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 OR316044 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 OR316055 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.40 CC(CN)OC1=CC=CC=C1 OR12728 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.40 CNC(=O)CC1=CC=CC=C1 OR16469 [1,0,0,0,0,0|1,0,1]=3 19 B11R1.40 NCC(O)CC1=CC=CC=C1 OR12967 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.40 NNC(=O)CC1=CC=CC=C1 OR310651 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 OR8744 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 OR52324 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 OR303315 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.45 N[C@H]1C2=C(C=CC=C2)C[C@H]1CO OR307619 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.15 CC(CN)C1=CC=CC=C1 OR6734 [2,0,0,0,0,0|1,0,0]=3 26 B10R1.15 CCC(Br)C1=CC=CC=C1 OR55292 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.15 CCC(O)C1=CC=CC=C1 OR10953 [2,0,0,0,0,0|0,0,0]=2 28 B10R1.15 CC[C@H](N)C1=CC=CC=C1 OR52676 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 OR3244 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.15 NC(CO)C1=CC=CC=C1 OR17907 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.15 NCC(=O)C1=CC=CC=C1 OR2784 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.15 NCC(=O)C1=CC=CC=C1 OR6519 [2,0,0,0,0,0|0,0,2]=4 33 B10R1.15 NCC(O)C1=CC=CC=C1 OR52511 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.15 NCC(O)C1=CC=CC=C1 OR9824 [2,0,0,0,0,0|0,0,0]=2 35 B10R1.15 NCC(O)C1=CC=NC=C1 OR12819 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.15 NCC(O)C1=CN=CC=C1 OR12818 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.15 NCC(O)C1=NC=CC=C1 OR12817 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.15 NCC(O)C1=NC=CC=C1 OR60079 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 OR3013 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.15 NC[C@H](O)C1=CC=CC=C1 OR3011 [2,0,0,0,0,0|0,0,0]=2 41 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 OR19518 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.15 N[C@H](CO)C1=CC=CC=C1 OR8743 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 OR3005 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.15 OC[C@H](O)C1=CC=CC=C1 OR3006 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.15 O[C@H](CCl)C1=CC=CC=C1 OR55062 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 OR8742 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 C=CCCC1=CC=CC=C1 OR51831 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.17 CNCCC1=CC=NC=C1 OR12592 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 CNCCC1=NC=CC=C1 OR22222 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.18 CC(Br)CC1=CC=CC=C1 OR323250 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.18 CC(C)=CC1=CC=CC=C1 OR30976 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.18 CC(C)CC1=CC=CC=C1 OR22170 [2,0,0,0,0,0|0,0,0]=2 56 B10R1.18 CC(C)SC1=CC=CC=C1 OR18312 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.18 CC(N)CC1=NC=CC=C1 OR40277 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.18 CC(O)CC1=CC=CC=C1 OR8956 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.18 CN(C)CC1=CC=CC=C1 OR54497 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 OR150 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.18 NC(=O)CC1=CC=CC=C1 OR0700 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.30 CNCCC(O)C1=CC=CC=C1 OR1059 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 OR12706 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 OR13560 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.20 CC(C)C(=O)C1=CC=C(Br)C=C1 OR52251 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 OR28298 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 OR12689 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.564 CC(C)(Br)C(=O)C1=CC=CC=C1 OR6061 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.564 CC(C)(C)C(=O)C1=CC=CC=C1 OR3517 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.564 CC(C)(O)C(=O)C1=CC=CC=C1 OR70171 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.32 CN(CCCl)CC1=CC=CC=C1 OR61419 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.2 C1=CC(C2CCNC2)=CC=N1 OR12555 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.2 C1=CC(C2CCNC2)=CN=C1 OR12554 [1,0,0,1,0,0|2,0,0]=4 74 B12R2.2 C1=CC=C(C2CCCN2)C=C1 OR12503 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR12549 [1,0,0,1,0,0|1,0,0]=3 76 B12R2.2 C1=CC=C(C2CCNC2)C=C1 OR16975 [1,0,0,1,0,0|1,0,0]=3 77 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 OR321342 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.2 C1=CN=C(C2CCNC2)C=C1 OR12553 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.2 C1=CN=C(C2CCNC2)C=C1 OR321362 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.2 C1=CN=CC(C2CCNC2)=C1 OR40682 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.116 NC1(C2=CC=CC=C2)COC1 OR312075 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.116 NC1(C2=CC=CC=C2)COC1 OR61143 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 OR40591 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 OR40592 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.1081 OC1CCCC2=CC=CC=C21 OR24205 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 OR0940 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 OR953381 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.18 CC1CC2=C(C=CC=C2)C1=O OR0627 [1,0,0,1,0,0|0,0,2]=4 89 B12R2.18 NC1C2=CC=CC=C2CC1O OR2608 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.18 NC1CC2=CC=CC=C2C1O OR2609 [1,0,0,1,0,0|0,0,0]=2 91 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O OR2317 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@H]1O OR55290 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.18 N[C@@H]1CC2=CC=CC=C2[C@H]1O OR55258 [1,0,0,1,0,0|0,0,0]=2 94 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O OR52536 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O OR18545 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.18 OC1C2=CC=CC=C2CC1Br OR0846 [1,0,0,1,0,0|1,0,0]=3 97 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1C2=CC=CC=C2 OR10970 [0,1,0,1,0,0|0,0,1]=3