0 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 5931045 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4014221 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.3 COC1=CC=C(CNC(C)C)C=C1 4090497 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 4013692 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 4091026 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4035228 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.71 CCNCC1=CC=C(CC)C=C1 4088360 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.71 CCNCC1=CC=C(CC)C=C1 9071424 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.71 CCNCC1=CC=C(SC)C=C1 4090824 [1,0,0,0,0,0|1,1,1]=4 11 B12R1.71 CCNCC1=CC=C(SC)C=C1 9070832 [1,0,0,0,0,0|1,1,1]=4 12 B12R1.71 COC1=CC=C(CCCN)C=C1 4016880 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.71 COC1=CC=C(CCCN)C=C1 4087878 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 4009536 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 4006284 [0,1,0,0,0,0|2,1,0]=4 16 B14R1.3 COC1=CC=C(CN(C)C(=N)N)C=C1 4016007 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.5 CCC(C)NCC1=CC=C(OC)C=C1 4022331 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 3014955 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.142 CCOC1=CC=C(OCC(=O)O)C=C1 6792402 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 4013887 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 4089091 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.3653 COC1=C(C)C=C(\C=C\C(=O)O)C=C1 6072393 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 4110555 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 4088387 [0,0,0,1,0,0|2,0,1]=4 25 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 9071322 [0,0,0,1,0,0|2,0,1]=4 26 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 5301234 [0,0,0,0,1,0|2,0,0]=3 27 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,0,0,0,1,0|2,0,0]=3 28 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 4002818 [0,0,0,0,0,1|3,0,0]=4 29 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 4088907 [0,0,0,0,0,1|2,0,1]=4 30 B14R1.4 COC1=CC=C(CCNC(C)C)C=C1 5535468 [0,0,0,0,0,1|2,0,1]=4 31 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 4003038 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [2,0,0,0,0,0|2,0,0]=4 35 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 4032190 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.14 NNC(=O)CCC1=CC=C(O)C=C1 3005245 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.132 CC(=O)NC(C)C1=CC=C(Br)C=C1 5587422 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.77 CCNCC1=CC=C(OCC)C=C1 4088931 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.77 CCNCC1=CC=C(OCC)C=C1 9070452 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.371 CCCNCC1=CC=C(OC)C=C1 4014222 [1,1,0,0,0,0|1,0,1]=4 41 B13R1.371 CCCNCC1=CC=C(OC)C=C1 4090665 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.371 COC1=CC=C(CNCCO)C=C1 4004515 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.142 CC(=O)NC1=CC=C(CCO)C=C1 5529572 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.653 COC1=CC=C(NC(C)=O)C(N)=C1 4027800 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.1985 CC(=O)OCC1=CSC(C(C)=O)=C1 4004636 [0,1,0,0,1,0|2,0,0]=4 46 B15R1.206 COC1=CC=C(CCNC(=O)CCl)C=C1 6479059 [0,1,0,0,0,1|1,0,0]=3 47 B15R1.15 CCOC1=CC=C(C(N)CC(=O)O)C=C1 4140247 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.793 COC1=CC=C(CNC(=O)CCCl)C=C1 5238058 [0,2,0,0,0,0|1,0,0]=3 49 B15R1.3779 COC(=O)CCC1=CC(O)=C(OC)C=C1 4110743 [0,2,0,0,0,0|1,0,0]=3 50 B13R2.57 COC1=CC=C2CNCCC2=C1 4101917 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [1,0,0,0,1,0|1,0,0]=3 52 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [1,0,0,0,1,0|2,0,0]=4 53 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [1,0,0,0,1,0|2,0,0]=4 54 B13R1.513 CC(=O)CCSC1=CC=C(F)C=C1 4011074 [1,0,0,0,0,1|2,0,0]=4