0 B12R1.32 CCNC(=O)OC1=CC=CC=C1 BTB13270 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 BTB06265 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.32 N#CCC(=O)NC1=NC=CC=C1 BTB06714 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 JFD01130 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [1,0,0,0,0,0|2,1,0]=4 5 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [1,0,0,0,0,0|2,1,0]=4 6 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.40 NNC(=O)CC1=CC=CC=C1 JFD03115 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.19 CCOC(=S)NC1=CC=C(I)C=C1 NH00781 [0,1,0,0,0,0|2,1,0]=4 11 B13R1.19 N#CCC(=O)NC1=CC=C(Br)C=C1 DP00459 [0,1,0,0,0,0|2,0,1]=4 12 B13R1.19 N#CCC(=O)NC1=CC=C(Cl)C=C1 BTB06264 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.19 N#CCC(=O)NC1=CC=C(F)C=C1 BTB05238 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.20 N#CCC(=O)NC1=CC(Cl)=CC=C1 BTB06560 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S03160 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 S01421 [0,1,0,0,0,0|2,1,0]=4 17 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 RDP00069 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 BTB13267 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.470 CC1=CC=CC=C1NC(=O)CC#N DP00170 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.470 N#CCC(=O)NC1=CC=CC=C1F BTB06552 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.15 O=C1CCCN1C2=CC=CC=C2 RH00722 [0,0,0,1,0,0|1,0,0]=2 22 B13R2.26 CCSC1=NC2=CC=CC=C2N1 BTB13462 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.135 CC[N+]1=C(C)SC2=CC=CC=C21 RJC03274 [0,0,0,1,0,0|2,1,0]=4 24 B13R2.444 CC(NC1=CC=CC=C1)C2CC2 RJC01874 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.16 N#CCS(=O)C1=CC=CC=C1 NRB01569 [0,0,0,0,1,0|2,0,1]=4 26 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 S02279 [0,0,0,0,0,1|2,1,0]=4 27 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 DSHS00133 [0,0,0,0,0,1|2,0,0]=3 28 B13R1.42 CCSC(=O)NCC1=CC=CC=C1 JFD01101 [0,0,0,0,0,1|2,0,0]=3 29 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S03159 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 BTB13280 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 JFD02738 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.371 CNC(=O)SC1=C(Cl)C=CC=C1 EN00233 [1,1,0,0,0,0|1,1,0]=4 33 B12R1.3 CCC\C(=N/O)C1=NC=CC=C1 RJC00757 [0,1,0,0,1,0|1,0,1]=4 34 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 KM01491 [0,1,0,0,1,0|1,0,1]=4 35 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 KM01815 [0,1,0,0,1,0|1,0,1]=4 36 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 RDP00009 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 KM01406 [0,1,0,0,1,0|1,0,1]=4 38 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [0,1,0,0,1,0|1,0,1]=4 39 B14R1.60 [C@H](N)(CC1=CC=CC=C1)C(=O)OCC SB01138 [0,1,0,0,0,1|2,0,0]=4 40 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 RJC02477 [0,1,0,0,0,1|1,0,1]=4 41 B14R1.502 CCOC(=O)CNC1=CC=C(F)C=C1 S14316 [0,1,0,0,0,1|2,0,0]=4 42 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 S14315 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BTB13412 [0,1,0,0,0,1|1,0,1]=4 44 B14R1.33 CCCNC(=O)NC1=CC=C(Cl)C=C1 KM09074 [0,2,0,0,0,0|1,0,0]=3 45 B14R1.33 CCCNC(=S)NC1=CC=C(Cl)C=C1 RDR00171 [0,2,0,0,0,0|1,1,0]=4 46 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Cl)C=C1 GK03631 [0,2,0,0,0,0|1,0,1]=4 47 B14R1.698 CC(C)OC(=O)NC1=CC=C(Cl)C=C1 SPB07910 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.967 CSCC(=O)NC1=CC(Cl)=C(F)C=C1 CD11422 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.6823 CCOC(=O)NC1=C(F)C=C(F)C=C1 SEW04913 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.952 CCOC(=O)NC1=CC(Cl)=CC(Cl)=C1 SEW04919 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.5978 CC(C)NC(=O)OC1=CC(Cl)=CC=C1 BTB13281 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.423 CC(=O)CNC(=O)CC1=CC=CC=C1 BTB09315 [0,2,0,0,0,0|1,0,1]=4 53 B14R1.423 CC(C)CNC(=O)OC1=CC=CC=C1 JFD00115 [0,2,0,0,0,0|0,0,0]=2 54 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 RH01868 [0,2,0,0,0,0|1,0,1]=4 55 B14R1.946 CCCNC(=O)NC1=C(C)C=CC=C1 KM09906 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1Cl BTB13411 [0,2,0,0,0,0|1,0,1]=4 57 B14R1.433 CC(C)(C)NC(=O)OC1=CC=CC=C1 JFD00114 [0,2,0,0,0,0|1,0,0]=3 58 B12R2.1081 OC1CCOC2=C1C=CC=C2 JFD00618 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [1,0,0,1,0,0|1,1,0]=4 60 B12R2.24 O=C1COC2=CC=CC=C2O1 RH00750 [1,0,0,1,0,0|1,0,0]=3 61 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [1,0,0,1,0,0|2,0,0]=4 62 B12R2.2028 CN1SC(=O)C2=C1C=CC=C2 BTB03211 [0,0,0,1,1,0|2,0,0]=4 63 B14R2.949 O=C(NC1=CC=C(F)C=C1)C2CC2 SEW04208 [0,1,0,1,0,0|1,0,0]=3 64 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 JFD00974 [0,1,0,1,0,0|0,0,2]=4 65 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 BTB10779 [0,1,0,1,0,0|0,0,2]=4 66 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BTB10013 [0,1,0,1,0,0|0,0,2]=4 67 B14R2.19 CC1CN=C(NC2=CC=CC=C2)S1 BTB13006 [0,1,0,1,0,0|1,1,0]=4 68 B14R2.24 O=C1NCCSC1C2=CC=CC=C2 KM03386 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.277 CC1=C(C2=CC=CC=C2)C(=O)NC1 BTB09329 [0,1,0,1,0,0|1,0,1]=4 70 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 S11995 [0,1,0,1,0,0|0,0,2]=4 71 B14R2.738 CC1CC(=O)NC2=C(C=CC=C2)S1 RJC00303 [0,1,0,1,0,0|1,0,0]=3 72 B14R2.738 CC1CC(=O)NC2=CC=CC=C2O1 JFD00283 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.738 CC1CC(=S)NC2=C(C=CC=C2)S1 RJC00328 [0,1,0,1,0,0|1,1,0]=4 74 B14R3.49 C1=CC=C2C(=C1)NC3=C2CCC3 RH00738 [0,0,0,2,0,0|2,0,0]=4