0 B14R2.22 CC1=CC=CC(C2=CSC(N)=N2)=C1 86965 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 C92465 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 C92467 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.22 CN1CC[C@H](C2=CC=CC(F)=C2)C1 N13848 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 65777 [0,0,0,0,0,0|4,0,0]=4 5 B14R2.22 NC1=NC(C2=CC(O)=CC=C2)=CS1 C77656 [0,0,0,0,0,0|1,1,2]=4 6 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 94459 [0,0,0,0,0,0|3,1,0]=4 7 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 94464 [0,0,0,0,0,0|3,1,0]=4 8 B14R2.22 O=C1CC[C@H](C2=CC=CC(Br)=C2)C1 AT13918 [0,0,0,0,0,0|3,1,0]=4 9 B14R2.22 O=C1CC[C@H](C2=CC=CC(Cl)=C2)C1 53472 [0,0,0,0,0,0|3,1,0]=4 10 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 53468 [0,0,0,0,0,0|3,0,0]=3 11 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 C92468 [0,0,0,0,0,0|3,0,0]=3 12 B14R2.22 O=C1CC[C@H](C2=CC=CC(F)=C2)C1 C92471 [0,0,0,0,0,0|3,0,0]=3 13 B14R2.22 O=C1C[C@H](C2=CC=CC(Cl)=C2)CN1 65766 [0,0,0,0,0,0|3,1,0]=4 14 B14R2.22 O=C1C[C@H](C2=CC=CC(F)=C2)CN1 65764 [0,0,0,0,0,0|3,0,0]=3 15 B14R2.22 O=C1NC[C@@H](C2=CC=CC(Br)=C2)O1 W10425 [0,0,0,0,0,0|3,1,0]=4 16 B14R2.22 O=C1N[C@H](C2=CC=CC(Br)=C2)CO1 C77588 [0,0,0,0,0,0|1,1,1]=3 17 B14R2.22 OC1=CC(C2=CC=CC(F)=C2)=NO1 AC3136 [0,0,0,0,0,0|3,0,1]=4 18 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 AT24335 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.10 NC1=NN(C2=CC=CC=C2)N=C1 S10660 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 W13327 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [1,0,0,0,0,0|2,0,1]=4 22 B13R2.13 FC1=CC(C2=NNC=N2)=CC=C1 91790 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65739 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65741 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 N11081 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.13 NC1=CC=CC(C2=COC=N2)=C1 D82649 [1,0,0,0,0,0|1,0,2]=4 27 B15R2.290 O=C1C[C@H](C2=C(F)C=CC(F)=C2)CN1 97186 [0,1,0,0,0,0|3,0,0]=4 28 B15R2.299 NC1=CC(C2=CC(F)=C(Br)C=C2)=NO1 72468 [0,1,0,0,0,0|2,0,1]=4 29 B15R2.303 CC1=C(F)C=CC=C1[C@@H]2COC(N)=N2 90498 [0,1,0,0,0,0|0,0,0]=1 30 B15R2.41345 O=C1C[C@H](C2=CC(F)=CC(F)=C2)CN1 97184 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.149 NC(=O)NCCC1=CC(O)=CC=C1 E72610 [0,0,1,0,0,0|3,0,0]=4 33 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,0,0,0,1,0|2,0,0]=3 34 B13R2.151 O[C@H]1C[C@H](C2=CC=CC(F)=C2)C1 91841 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.13 CN[C@@H](CO)C1=CC=CC(F)=C1 N12971 [1,0,1,0,0,0|0,0,2]=4 36 B12R1.17 COC[C@H](N)C1=CC=CC(F)=C1 D81287 [1,0,1,0,0,0|0,0,2]=4 37 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [1,0,1,0,0,0|0,0,2]=4 38 B12R1.252 N=C(N)SCCC1=NC=CC=C1 F17998 [1,0,1,0,0,0|1,1,0]=4 39 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(F)=C1 N16369 [0,1,1,0,0,0|2,0,0]=4 40 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(F)=C1 N16380 [0,1,1,0,0,0|2,0,0]=4 41 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CO1 D85515 [1,1,0,0,0,0|0,0,2]=4 42 B14R2.20 O=C1N[C@H](C2=CC=C(Br)C=C2)CO1 C77587 [1,1,0,0,0,0|1,0,1]=4 43 B14R2.70 CC1=C(F)C=C(C2=NOC=N2)C=C1 C11511 [1,1,0,0,0,0|1,0,1]=4 44 B14R2.4471 OC1(C2=CC=CC(F)=C2)CC=CC1 W11286 [1,1,0,0,0,0|2,0,0]=4 45 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC=CC(F)=C2 P18652 [0,0,1,1,0,0|2,0,0]=4 46 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 N14137 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.50 CC[C@H](N)CC1=CC=CC(F)=C1 N14524 [0,0,1,0,1,0|1,0,1]=4 48 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AC7657 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11689 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(F)=C1 98545 [0,0,1,0,1,0|2,0,0]=4 51 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [1,0,0,0,1,0|1,0,1]=4 52 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 D86978 [0,0,0,0,2,0|0,1,1]=4 53 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(Cl)=C2 AC1027 [0,0,0,0,2,0|0,1,1]=4 54 B12R2.80 N[C@H]1C[C@@H]1C2=CC=CC(F)=C2 E72638 [0,0,0,0,2,0|0,0,1]=3 55 B14R2.68 NC1=NN=C(C2=CC=CC=C2)CS1 F13861 [1,0,0,0,0,1|0,1,1]=4 56 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77665 [1,0,0,0,0,1|1,0,1]=4 57 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P18324 [1,0,0,0,0,1|1,0,1]=4