0 B10R1.21 NCCCOC1=NOC=C1 AT19585 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 NCCCC1=CN=CN1 97527 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.12 NCCCC1=CN=CN1 P16679 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.29 CNCC[C@H](O)C1=CC=CS1 D76696 [0,1,0,0,0,0|1,0,0]=2 4 B11R2.2 C1=CSC([C@H]2CCNC2)=N1 E72877 [0,0,0,1,0,0|2,0,0]=3 5 B11R2.2 C1=NN=C([C@@H]2CCCN2)S1 F52413 [0,0,0,1,0,0|3,0,0]=4 6 B11R2.18 C1=C2CCNCCC2=NN1 O10581 [0,0,0,1,0,0|3,0,0]=4 7 B11R2.18 C1=CC2=C(CCCCN2)S1 A10557 [0,0,0,1,0,0|1,0,0]=2 8 B11R2.18 C1=CC2=C(CCCNC2)N1 AT13727 [0,0,0,1,0,0|2,0,0]=3 9 B11R2.18 C1=CN2CCCNCC2=N1 P18817 [0,0,0,1,0,0|3,0,0]=4 10 B11R2.18 C1=CN2CCNCCC2=N1 W14832 [0,0,0,1,0,0|3,0,0]=4 11 B11R2.18 C1=NC=C2CCNCCN12 W14835 [0,0,0,1,0,0|3,0,0]=4 12 B11R2.106 C[C@@H]1NCCC2=C1N=CN2 AT14794 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.237 C1=CC(CC2CNC2)=CS1 E73035 [0,0,0,1,0,0|3,0,0]=4 14 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [0,0,0,0,0,1|2,0,1]=4 15 B11R1.28 OCCCNC1=NC=CC=C1 D86278 [0,0,0,0,0,1|3,0,0]=4 16 B8R1.8 CNCC1=CC=NS1 AT21224 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.11 CCC[C@H](N)C1=CSC=N1 Y14517 [1,1,0,0,0,0|2,0,0]=4 18 B10R1.11 N[C@@H](CCO)C1=CC=CO1 D96373 [1,1,0,0,0,0|1,1,0]=4 19 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.32 NCC[C@H](F)CC1=CC=CC=C1 D76607 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [0,1,0,0,0,1|2,0,0]=4 22 B12R1.252 C[C@H](O)CCCC1=CC=NC=C1 AT26625 [0,1,0,0,0,1|1,0,0]=3 23 B10R2.7 C1=CC2=C(C=NCC2)S1 D77275 [1,0,0,1,0,0|1,0,1]=4 24 B10R2.32 N[C@H]1CCC2=C1N=CS2 AT24603 [1,0,0,1,0,0|2,0,0]=4 25 B10R2.32 O[C@H]1CCC2=C1N=CS2 AT24602 [1,0,0,1,0,0|2,0,0]=4 26 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22268 [0,0,0,1,0,1|2,0,0]=4 27 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22269 [0,0,0,1,0,1|2,0,0]=4 28 B12R2.2 C1=CN=C([C@H]2CCNC2)C=N1 AR1451 [0,0,0,1,0,1|2,0,0]=4 29 B12R2.2 C1=CN=C([C@H]2CCNC2)C=N1 H11543 [0,0,0,1,0,1|2,0,0]=4 30 B12R2.2 C1=CN=C([C@H]2CCNC2)C=N1 P10995 [0,0,0,1,0,1|2,0,0]=4 31 B12R2.23 OC1CCC1C2=CC=CC=C2 84063 [0,0,0,1,0,1|2,0,0]=4 32 B12R2.41 C1=CN=C2CCNCCC2=C1 P12285 [0,0,0,1,0,1|2,0,0]=4 33 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16102 [0,0,0,1,0,1|2,0,0]=4 34 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W16103 [0,0,0,1,0,1|2,0,0]=4 35 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=N2 P16789 [0,0,0,1,0,1|2,0,0]=4 36 B12R2.1081 Cl[C@H]1CCCC2=C1C=CN=C2 D76416 [0,0,0,1,0,1|2,0,0]=4 37 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22993 [0,0,0,1,0,1|2,0,0]=4 38 B12R2.2058 C1=CC(CC2CNC2)=CC=N1 E72899 [0,0,0,1,0,1|2,0,0]=4 39 B12R2.2058 C1=CC(NC2CCC2)=CC=N1 D74722 [0,0,0,1,0,1|2,0,0]=4 40 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 P15109 [0,0,0,1,0,1|2,0,0]=4 41 B12R2.2058 C1=CN=C(NC2CCC2)C=C1 D74717 [0,0,0,1,0,1|2,0,0]=4 42 B12R2.2058 C1=CN=CC(CC2CNC2)=C1 D74724 [0,0,0,1,0,1|2,0,0]=4 43 B12R2.2058 C1=CN=CC(NC2CCC2)=C1 D74719 [0,0,0,1,0,1|2,0,0]=4 44 B12R2.98 C1=CSC(C[C@H]2CCNC2)=N1 E73169 [0,1,0,1,0,0|1,0,0]=3 45 B12R2.229 C[C@@H]1NCCCN2N=CC=C12 W14952 [0,1,0,1,0,0|2,0,0]=4 46 B12R2.229 O=C1CCCCC2=C1OC=C2 AC9322 [0,1,0,1,0,0|0,1,1]=4 47 B12R2.229 O=C1CCCCN2C=CC=C12 E70280 [0,1,0,1,0,0|1,0,1]=4 48 B12R2.315 CC[C@@H]1NCCC2=C1NC=N2 D75173 [0,1,0,1,0,0|2,0,0]=4 49 B12R2.6 NC1=NC(C2CCCC2)=CS1 AT15434 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.586 NC1=NNC2=C1CCCCC2 W15805 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.533 CC1(C)CN[C@@H]1C2=CC=CO2 E72918 [0,1,0,1,0,0|1,1,0]=4 52 B12R2.1354 O=C(O)[C@H]1C[C@@H]1C2=CC=CS2 AT22397 [0,1,0,1,0,0|1,0,1]=4 53 B12R2.1354 O=C(O)[C@H]1C[C@@H]1C2=CC=CS2 AT22520 [0,1,0,1,0,0|1,0,1]=4