0 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.14 COC(=O)\C=C\C1=CN=C(N)C=C1 Y11004 [0,1,0,0,0,0|1,0,2]=4 5 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 D72702 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y13865 [0,1,0,0,0,0|1,0,0]=2 7 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y14153 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,0|1,0,0]=2 9 B13R2.33 O=C1CNC2=C(C=CC=N2)CN1 AT20015 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,0,0,1,0,0|0,0,2]=3 11 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [0,0,0,0,1,0|2,0,1]=4 12 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [0,0,0,0,1,0|2,0,1]=4 13 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [0,0,0,0,1,0|2,0,0]=3 14 B10R1.17 NNCCC1=CC=CC=C1 74134 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.21 O=C(O)CCC1=CN=C(F)C=C1 72627 [1,1,0,0,0,0|1,0,0]=3 16 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 D85212 [1,1,0,0,0,0|1,0,0]=3 17 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 D85249 [1,1,0,0,0,0|1,0,0]=3 18 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 72786 [1,1,0,0,0,0|1,0,0]=3 19 B12R1.125 O=C(O)CCC1=C(Br)C=CC=N1 F30873 [1,1,0,0,0,0|1,0,0]=3 20 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 71960 [1,1,0,0,0,0|1,0,0]=3 21 B12R1.226 CN(C)CCC1=CC=CC(Br)=C1 F52728 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.226 O=C(O)COC1=NC=CC(Cl)=C1 W18283 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 Y13973 [0,1,0,0,1,0|1,0,0]=3 24 B12R1.49 COC(=O)CC1=CN=C(Br)C=N1 P17446 [0,1,0,0,1,0|2,0,0]=4 25 B12R1.49 COC(=O)CC1=CN=C(Cl)N=C1 P19981 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.49 COC(=O)CC1=NC=C(O)C=N1 72519 [0,1,0,0,1,0|2,0,0]=4 27 B12R1.50 COC(=O)CC1=CC(=O)NC=N1 Y14774 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 D77067 [0,1,0,0,0,1|0,0,1]=3 29 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 Y14032 [0,2,0,0,0,0|0,0,0]=2 30 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 Y13668 [0,2,0,0,0,0|0,0,0]=2 31 B14R1.587 COC(=O)C[C@H](N)C1=C(Br)C=CC=C1 Y13732 [0,2,0,0,0,0|0,0,0]=2 32 B14R1.587 COC(=O)C[C@H](N)C1=C(Br)C=CC=C1 Y13733 [0,2,0,0,0,0|0,0,0]=2 33 B14R1.134 COC(=O)[C@@H](N)CC1=CN=C(N)C=C1 Y11495 [0,2,0,0,0,0|1,0,0]=3 34 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Br)C=C1 N10541 [0,2,0,0,0,0|1,0,0]=3 35 B14R1.134 COC(=O)[C@@H](N)CC1=NC=C(Cl)C=C1 Y11460 [0,2,0,0,0,0|1,0,0]=3 36 B14R1.502 CCOC(=O)CCC1=CN=C(F)C=C1 79500 [0,2,0,0,0,0|1,0,0]=3 37 B14R1.135 COC(=O)[C@@H](N)CC1=CC(Cl)=CN=C1 Y12125 [0,2,0,0,0,0|1,0,0]=3 38 B14R1.135 COC(=O)[C@@H](N)CC1=CC(Cl)=CN=C1 Y12126 [0,2,0,0,0,0|1,0,0]=3 39 B14R1.135 COC(=O)[C@@H](N)CC1=CN=CC(C)=C1 Y12224 [0,2,0,0,0,0|1,0,0]=3 40 B14R1.135 COC(=O)[C@@H](N)CC1=CN=CC(C)=C1 Y12225 [0,2,0,0,0,0|1,0,0]=3 41 B14R1.1007 COC(=O)[C@@H](N)CC1=CC=CN=C1Cl Y13864 [0,2,0,0,0,0|1,0,0]=3 42 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [1,0,0,1,0,0|2,0,0]=4 43 B12R2.22 NC1CC(C2=CC=CC=C2)C1 D96745 [1,0,0,1,0,0|1,0,1]=4 44 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 38953 [1,0,0,1,0,0|1,0,1]=4 45 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 D96746 [1,0,0,1,0,0|1,0,1]=4 46 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.24 O=C1CCC2=C(C=CC=N2)N1 66147 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.68 CC1CN[C@H](C2=CC=CC=C2)CO1 F50189 [0,0,0,1,0,1|1,0,1]=4 49 B14R2.279 N[C@@H]1C(=O)NCCC2=C1C=CC=C2 D86155 [0,0,0,1,0,1|2,0,0]=4 50 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72344 [0,1,0,1,0,0|1,0,0]=3 51 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65722 [0,1,0,1,0,0|1,0,0]=3 52 B14R2.4513 CN1C(=O)COC2=C1C=C(N)C=C2 W18825 [0,1,0,1,0,0|2,0,0]=4 53 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(O)C1=O D86144 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [1,0,0,0,1,0|2,0,0]=4