0 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 F21136 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.44 O=C(CC1=CC=CC=C1)NCCO W12293 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.337 CC(C)CCNCC1=CC=CC=C1 F52160 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.337 C[C@H](O)CCOCC1=CC=CC=C1 AT15545 [1,0,0,0,0,0|3,0,0]=4 4 B15R1.496 CC(C)C[C@H](N)C(=O)NC1=CC=CC=C1 F15370 [0,1,0,0,0,0|2,0,0]=3 5 B15R2.33 CN1CCC(=O)[C@@H](C2=CC=CC=C2)C1 C12194 [0,0,0,1,0,0|2,0,0]=3 6 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,0,0,0,1,0|2,0,0]=3 7 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [0,0,0,0,1,0|2,0,0]=3 8 B13R1.348 CC(=O)CC(=O)OC1=CC=CC=C1 F12019 [0,0,0,0,1,0|2,0,1]=4 9 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53133 [0,0,0,0,1,0|2,0,1]=4 10 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 AT22332 [0,0,0,0,1,0|2,0,1]=4 11 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 C78125 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.32 CCOC(=O)CC1=CC=NC=C1 31557 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.32 CCOC(=O)CC1=CN=CN=C1 F53477 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.32 CCOC(=O)NC1=CN=CC=C1 F14111 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.32 CCOC(=O)OC1=NC=CC=C1 F18008 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.32 NCCC(=O)NC1=CC=CC=C1 F21144 [2,0,0,0,0,0|2,0,0]=4 17 B14R1.33 CCCCC(=O)CC1=CC=C(Br)C=C1 N14162 [1,1,0,0,0,0|1,0,0]=3 18 B14R1.33 CCCCC(=O)CC1=CC=C(C)C=C1 N14170 [1,1,0,0,0,0|1,0,0]=3 19 B14R1.33 CCCCC(=O)CC1=CC=C(Cl)C=C1 N14154 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.33 CCCCC(=O)CC1=CC=C(F)C=C1 N14144 [1,1,0,0,0,0|1,0,0]=3 21 B14R1.34 CCCCC(=O)CC1=CC=CC(Cl)=C1 N14152 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.34 CCCCC(=O)CC1=CC=CC(F)=C1 N14139 [1,1,0,0,0,0|1,0,0]=3 23 B14R1.34 CCCCC(=O)NC1=CC=CC(F)=C1 AT16580 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.34 NCCNC(=O)CC1=CC=CC(Cl)=C1 F21071 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.946 CCCCC(=O)CC1=C(C)C=CC=C1 N14165 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.946 CCCCC(=O)CC1=C(Cl)C=CC=C1 N14149 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.946 CCCCC(=O)CC1=C(F)C=CC=C1 N14136 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 75641 [0,1,0,0,1,0|2,0,0]=4 29 B14R1.425 CC(C)[C@H](N)C(=O)NC1=CC=CC=C1 F14830 [0,1,0,0,1,0|1,0,0]=3 30 B16R1.22556 CC(C)(O)CNC(=O)OCC1=CC=CC=C1 89967 [0,1,0,0,0,1|1,0,0]=3 31 B14R2.24 O=C1NCCS[C@H]1C2=CC=CC=C2 AT25446 [1,0,0,1,0,0|2,0,0]=4 32 B14R2.5495 CC1(C)CNCCC2=C1C=CC=C2 AT24797 [1,0,0,1,0,0|1,0,1]=4 33 B14R2.403 CC1(C)CN=C(C2=CC=CC=C2)O1 V10355 [0,0,0,1,1,0|1,0,1]=4 34 B14R2.792 O=C(OC[C@H]1CO1)C2=CC=CC=C2 56433 [0,0,0,1,1,0|1,0,0]=3 35 B14R2.8189 CN1CC2=C(C=CC=C2)C(C)(C)C1 22982 [0,0,0,1,1,0|2,0,0]=4 36 B16R2.317 N[C@H]1CCC(=O)N(CC2=CC=CC=C2)C1 P16105 [0,0,0,1,0,1|2,0,0]=4 37 B16R2.317 O=C1CC[C@H](O)CN1CC2=CC=CC=C2 S10984 [0,0,0,1,0,1|2,0,0]=4 38 B16R2.3322 NC1CN(C(=O)OCC2=CC=CC=C2)C1 31403 [0,0,0,1,0,1|2,0,0]=4 39 B16R2.44153 O=C(CNC1CC1)OCC2=CC=CC=C2 D87316 [0,0,0,1,0,1|2,0,0]=4 40 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [1,0,0,0,1,0|2,0,0]=4 41 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [1,0,0,0,1,0|2,0,0]=4 42 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [1,0,0,0,1,0|1,0,0]=3 43 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [1,0,0,0,1,0|1,1,0]=4 44 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [1,0,0,0,1,0|1,0,0]=3 45 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [1,0,0,0,1,0|1,0,0]=3 46 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [1,0,0,0,1,0|2,0,0]=4 47 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [1,0,0,0,1,0|2,0,0]=4 48 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.107 CC(C)CC(=O)C1=CN=CC=C1 F30170 [0,0,0,0,2,0|1,0,0]=3 50 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 F30232 [0,0,0,0,2,0|1,0,0]=3 51 B12R1.43 C[C@H](N)C(=O)NC1=CC=CC=C1 F15365 [0,0,0,0,2,0|2,0,0]=4 52 B12R1.43 C[C@H](N)C(=O)OC1=CC=CC=C1 F52322 [0,0,0,0,2,0|2,0,0]=4 53 B12R1.43 C[C@H](O)C(=O)NC1=CC=CC=C1 F15116 [0,0,0,0,2,0|2,0,0]=4