0 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 N=C(N)NCC1=CC=CC=C1 4087928 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 N=C(N)NCC1=CC=CC=C1 4089197 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 3020214 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,0,0,0,0,0|1,1,1]=4 5 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4089836 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4091020 [0,1,0,0,0,0|2,0,0]=3 7 B12R2.24 NC1COC2=CC=CC=C2C1 4089584 [0,0,0,1,0,0|2,0,1]=4 8 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 4093276 [0,0,0,1,0,0|2,0,1]=4 9 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 4092002 [0,0,0,1,0,0|2,0,1]=4 10 B10R1.18 CC(=O)CC1=CC=CN=C1 4090943 [0,0,0,0,1,0|2,0,0]=3 11 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [0,0,0,0,1,0|3,0,0]=4 12 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.1 C#CCOC1=CC=C(N)C=C1 4089055 [1,1,0,0,0,0|1,0,1]=4 14 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [1,1,0,0,0,0|1,0,1]=4 15 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [1,1,0,0,0,0|1,0,1]=4 16 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [1,1,0,0,0,0|1,0,0]=3 17 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [1,1,0,0,0,0|1,0,1]=4 18 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [1,1,0,0,0,0|1,0,1]=4 19 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [1,1,0,0,0,0|1,0,1]=4 20 B11R1.36 N=C(N)[C@@H](O)C1=CC=CC=C1 4079011 [0,1,0,0,1,0|2,0,0]=4 21 B11R1.36 N=C(N)[C@H](O)C1=CC=CC=C1 4052271 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.86 O=C(O)CC1=CN=CNC1=O 4036148 [0,1,0,0,1,0|2,0,0]=4 23 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,1,0,0,1,0|1,0,0]=3 24 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,0,0,1,0|2,0,0]=4 25 B11R1.90 CN1C=CC=C1CCC(=O)O 4043736 [0,1,0,0,1,0|2,0,0]=4 26 B13R1.149 CC1=CC(OCCC(=O)O)=CC=C1 5579227 [0,1,0,0,0,1|0,0,0]=2 27 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4040865 [0,1,0,0,0,1|1,0,0]=3 28 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 4088850 [0,1,0,0,0,1|1,0,0]=3 29 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 4091347 [0,2,0,0,0,0|0,0,0]=2 30 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 3013843 [0,2,0,0,0,0|0,0,0]=2 31 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Cl 3013794 [0,2,0,0,0,0|0,0,0]=2 32 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl 3013821 [0,2,0,0,0,0|0,0,0]=2 33 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl 3013826 [0,2,0,0,0,0|0,0,0]=2 34 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 4089654 [0,2,0,0,0,0|1,0,0]=3 35 B13R1.528 NNC(=O)CCC1=CC=CC=C1O 3005121 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.148 CC1=CC(OC(C)C(=O)O)=CC=C1 3013839 [0,2,0,0,0,0|0,0,0]=2 37 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 3002550 [0,2,0,0,0,0|0,1,0]=3 38 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [1,0,0,1,0,0|2,0,0]=4 39 B11R2.1 NC1COC2=CC=CC=C21 4088614 [1,0,0,1,0,0|1,0,1]=4 40 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 3001896 [0,0,0,1,0,1|0,1,1]=4 41 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 4027629 [0,1,0,1,0,0|1,0,0]=3 42 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 3001973 [0,1,0,1,0,0|2,0,0]=4 43 B13R2.33 O=C1CCC2=CC=CC=C2CN1 4036517 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.369 NC1CC2=CC=CC=C2NC1=O 3002841 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.435 O=C(O)C1=NC2=CC=CC=C2O1 4088837 [0,1,0,1,0,0|0,0,1]=3 46 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4087999 [0,1,0,1,0,0|0,1,1]=4 47 B13R2.328 NC1CC(=O)NC2=CC=CC=C21 4089977 [0,1,0,1,0,0|2,0,0]=4