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[1,0,0,0,0,0|1,0,1]=3 14 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 SBB010825 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.6 O=C(O)CCN1N=NC2=CC=CC=C21 SBB010847 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.6 O=C(O)CSC1=CNC2=CC=CC=C21 SBB027890 [1,0,0,0,0,0|1,0,0]=2 17 B15R2.6 O=C([O-])\C=C\C1=CNC2=CC=CC=C12 SBB037883 [1,0,0,0,0,0|0,0,3]=4 18 B15R2.6 OC(=O)\C=C\C1=CNC2=C1C=CC=C2 SBB003692 [1,0,0,0,0,0|0,0,2]=3 19 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 SBB003122 [0,1,0,0,0,0|0,0,0]=1 20 B17R2.7 COC(=O)[C@@H](N)CC1=CNC2=C1C=CC=C2 SBB028128 [0,1,0,0,0,0|0,0,0]=1 21 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12 SBB053986 [0,1,0,0,0,0|0,0,0]=1 22 B17R2.289 CCC(SC1=CNC2=C1C=CC=C2)C(=O)O SBB027995 [0,1,0,0,0,0|2,0,0]=3 23 B17R2.289 CN[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O SBB012419 [0,1,0,0,0,0|0,0,0]=1 24 B17R2.3450 NC(CC1=CNC2=C1C=CC(F)=C2)C(=O)O SBB096294 [0,1,0,0,0,0|0,0,0]=1 25 B17R2.5003 CC1=NC2=CC=CC=C2N1CC(C)C(=O)O SBB011382 [0,1,0,0,0,0|2,0,1]=4 26 B17R2.5003 NC(CC1C(=O)NC2=C1C=CC=C2)C(=O)O SBB019045 [0,1,0,0,0,0|0,0,1]=2 27 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[0,0,0,0,0,1|2,0,1]=4 40 B17R2.520754 CC(OC1=CC=CC2=C1C=CC=C2)C(=O)O SBB004551 [0,0,0,0,0,1|3,0,0]=4 41 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 SBB053595 [1,0,1,0,0,0|2,0,0]=4 42 B14R2.2 NC(=O)CC1=CNC2=CC=CC=C12 SBB055978 [2,0,0,0,0,0|0,0,1]=3 43 B14R2.2 OC(=O)CC1=CNC2=C1C=CC=C2 SBB017530 [2,0,0,0,0,0|1,0,1]=4 44 B16R1.4122 N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O SBB063194 [0,1,1,0,0,0|2,0,0]=4 45 B16R2.14 COC(=O)CCC1=CNC2=CC=CC=C12 SBB079286 [1,1,0,0,0,0|0,0,0]=2 46 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 SBB021964 [1,1,0,0,0,0|0,0,0]=2 47 B16R2.4003 CC1=CC2=C(C=CC=C2)N1CCC(=O)O SBB011050 [1,1,0,0,0,0|2,0,0]=4 48 B16R2.4003 CC1=NC2=CC=CC=C2N1CCC(=O)O SBB018059 [1,1,0,0,0,0|1,0,1]=4 49 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C21 SBB006970 [1,1,0,0,0,0|2,0,0]=4 50 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 SBB027746 [1,1,0,0,0,0|2,0,0]=4 51 B16R2.4003 O=C(O)CCN1C(=S)OC2=CC=CC=C21 SBB007367 [1,1,0,0,0,0|2,0,0]=4 52 B16R2.104522 CC1=CN(CCC(=O)O)C2=CC=CC=C12 SBB053270 [1,1,0,0,0,0|2,0,0]=4 53 B16R2.104522 CN1C=C(CCC(=O)O)C2=CC=CC=C21 SBB302395 [1,1,0,0,0,0|0,0,0]=2 54 B16R2.104522 CN1C=C(SCC(=O)O)C2=C1C=CC=C2 SBB001901 [1,1,0,0,0,0|1,0,0]=3 55 B18R2.1 COC(=O)CC(=O)CC1=CNC2=CC=CC=C12 SBB303492 [0,1,0,0,0,1|1,0,1]=4 56 B18R2.12 CCNC(=O)C(N)CC1=CNC2=C1C=CC=C2 SBB011635 [0,2,0,0,0,0|1,0,0]=3 57 B18R3.2886 O=C1N[C@@H](CC2=CNC3=C2C=CC=C3)CO1 SBB095263 [0,0,0,1,0,1|1,0,0]=3 58 B18R3.115616 O=C(O)C1CC2=C(CN1)NC3=C2C=CC=C3 SBB043313 [0,1,0,1,0,0|0,0,0]=2 59 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SBB064584 [0,0,1,0,1,0|0,0,2]=4 60 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SBB071425 [0,0,1,0,1,0|1,0,1]=4 61 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O SBB007644 [0,0,1,0,1,0|1,0,1]=4 62 B14R2.95 N1C=C(\C(N)=N\O)C2=CC=CC=C21 SBB089050 [1,0,0,0,1,0|1,0,1]=4 63 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 SBB028533 [1,0,0,0,0,1|0,0,0]=2 64 B16R2.36 O=C([O-])CCCC1=CNC2=C1C=CC=C2 SBB003208 [1,0,0,0,0,1|0,0,1]=3 65 B16R2.477 O=C(O)CSC1=NC2=CC=CC=C2C=C1 SBB300285 [1,0,0,0,0,1|2,0,0]=4 66 B16R2.477 O=C(O)CSC1=NC2=CC=CC=C2N=C1 SBB039272 [1,0,0,0,0,1|1,0,1]=4 67 B16R2.477 OC(=O)COC1=CC=C2C=CC=CC2=C1 SBB003523 [1,0,0,0,0,1|2,0,0]=4 68 B16R2.179941 O=C(O)CCC1=CC=CC2=CC=CC=C21 SBB057501 [1,0,0,0,0,1|1,0,0]=3 69 B16R2.179941 O=C(O)CNC1=NC=NC2=CC=CC=C21 SBB044020 [1,0,0,0,0,1|1,0,1]=4 70 B16R2.179941 O=C(O)COC1=CC=CC2=C1C=CC=C2 SBB004534 [1,0,0,0,0,1|2,0,0]=4 71 B16R2.179941 O=C(O)COC1=NC=NC2=C1C=CC=C2 SBB028085 [1,0,0,0,0,1|1,0,1]=4 72 B16R2.179941 O=C(O)CSC1=C2C=CC=CC2=CC=N1 SBB011422 [1,0,0,0,0,1|2,0,0]=4 73 B16R2.179941 O=C(O)CSC1=NC=NC2=C1C=CC=C2 SBB011444 [1,0,0,0,0,1|1,0,1]=4