0 B13R1.42 O=C(CCBr)OCC1=CC=CC=C1 D72702 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [1,0,0,0,0,0|1,0,2]=4 2 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 Y13668 [0,1,0,0,0,0|0,0,0]=1 3 B14R1.502 CCOC(=O)CCC1=CN=C(F)C=C1 79500 [0,1,0,0,0,0|1,0,0]=2 4 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72344 [0,0,0,1,0,0|1,0,0]=2 5 B14R2.101 C1=CC=C(CCN2CCCC2)C=C1 D95994 [0,0,0,1,0,0|3,0,0]=4 6 B12R1.32 CCOC(=O)CC1=NN=CC=C1 P11834 [0,0,0,0,1,0|2,0,0]=3 7 B12R1.32 CCOC(=O)NC1=NC=CC=C1 D96330 [0,0,0,0,1,0|2,0,0]=3 8 B14R1.520 CCOC(=O)C\N=C\C1=CC=CC=C1 D77067 [0,0,0,0,0,1|0,0,1]=2 9 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [2,0,0,0,0,0|1,0,0]=3 10 B11R1.91 O=C(O)CCC1=NC=CC=N1 F13615 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.91 O=C(O)CNC1=CN=CC=C1 C75069 [2,0,0,0,0,0|2,0,0]=4 12 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y13865 [1,1,0,0,0,0|1,0,0]=3 13 B13R1.135 COC(=O)[C@@H](N)CC1=CN=CC=C1 Y14153 [1,1,0,0,0,0|1,0,0]=3 14 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 P15081 [0,1,0,0,1,0|2,0,0]=4 15 B15R1.10390 CCOC(=O)CCC1=CC(F)=C(Br)C=C1 W11619 [0,2,0,0,0,0|0,0,0]=2 16 B15R1.3960 C=C(CC1=C(Cl)C=CC=C1)C(=O)OCC C76821 [0,2,0,0,0,0|0,0,1]=3 17 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 73416 [0,2,0,0,0,0|2,0,0]=4 18 B15R1.36731 CCOC(=O)\C=C\C1=C(Cl)C=CC=C1Cl 78554 [0,2,0,0,0,0|0,0,2]=4 19 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [1,0,0,1,0,0|1,0,0]=3 20 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [1,0,0,1,0,0|0,0,2]=4 21 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,1,1,0|2,0,0]=4 22 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Y14016 [0,0,0,1,1,0|1,0,0]=3 23 B15R2.1342 CCOC(=O)C1CC1C2=CN=CC=C2 C91571 [0,0,0,1,0,1|1,0,0]=3 24 B15R2.28 O=C1C[C@@H](C2=CC=C(Br)C=C2)CCN1 P20632 [0,1,0,1,0,0|1,0,0]=3 25 B15R2.28 O=C1C[C@@H](C2=CC=C(Cl)C=C2)CCN1 P11805 [0,1,0,1,0,0|1,0,0]=3 26 B15R3.989 O=C1NCC2=C(C=CC=C2)C13CC3 81667 [0,0,0,2,0,0|2,0,0]=4 27 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [1,0,0,0,1,0|1,0,1]=4 28 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [1,0,0,0,1,0|1,0,1]=4 29 B11R1.40 COC(=O)CC1=CN=NC=C1 37090 [1,0,0,0,1,0|2,0,0]=4