0 B28R4.20007772 N=C1C=CC2=C(C3=C(C=C(C=C3)N)OC2=C1)C4=C(C=CC=C4)C(=O)O MCULE-9376313819 [0,0,0,0,0,0|2,0,1]=3 1 B28R4.20007772 NC1=CC2=C(C=C1)C(=C3C=CC(=[NH2+])C=C3O2)C4=CC=CC=C4C(=O)O MCULE-3766523018 [0,0,0,0,0,0|2,0,1]=3 2 B28R4.20007772 NC1=CC2=[O+]C3=C(C=CC(=C3)N)C(=C2C=C1)C4=CC=CC=C4C(=O)O MCULE-7080295292 [0,0,0,0,0,0|2,0,2]=4 3 B28R4.20007772 NC1=CC2=[O+]C3=C(C=CC(=C3)N)C(=C2C=C1)C4=CC=CC=C4C(=O)O MCULE-9674025155 [0,0,0,0,0,0|2,0,2]=4 4 B28R4.20007772 O=C(O)C1=CC=CC=C1C2C3=CC=C(C=C3OC4=C2C=CC(=C4)O)O MCULE-6561163985 [0,0,0,0,0,0|0,0,0]=0 5 B28R4.20007772 O=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=C(C=CC=C4)C(=O)O MCULE-7303795974 [0,0,0,0,0,0|0,0,2]=2 6 B28R4.20007772 O=C1C=CC2=C(C3=C(C=C(C=C3)O)OC2=C1)C4=CC=CC=C4C(=O)O MCULE-8810198732 [0,0,0,0,0,0|0,0,2]=2 7 B28R4.20007772 O=C1C=CC2=C(C3=C(C=C(C=C3)[O-])OC2=C1)C4=C(C=CC=C4)C(=O)[O-] MCULE-1559500470 [0,0,0,0,0,0|0,0,4]=4 8 B29R4.17743529 COC1=CC2=C(C=C1)C(C3=CC=C(C=C3O2)O)C4=C(C=CC=C4)C(=O)O MCULE-5881829859 [0,1,0,0,0,0|0,0,0]=1 9 B29R4.28294845 NC1=CC=C(C(=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O MCULE-9502910534 [0,1,0,0,0,0|0,0,2]=3 10 B29R4.519008567 COC(=O)C1=C(C=CC=C1)C2=C3C=CC(=O)C=C3OC4=CC(=CC=C24)O MCULE-6106258405 [0,1,0,0,0,0|0,0,2]=3 11 B29R4.519008567 COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N MCULE-4446186677 [0,1,0,0,0,0|2,0,1]=4 12 B29R4.519008567 COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N MCULE-4634113402 [0,1,0,0,0,0|2,0,1]=4 13 B29R4.519008567 COC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N)OC4=C2C=CC(=C4)N MCULE-2261439346 [0,1,0,0,0,0|2,0,0]=3 14 B29R4.1592227189 NC1=CC=C(C(=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O MCULE-3611857922 [0,1,0,0,0,0|0,0,2]=3 15 B29R5.60615037 NC1=CC2=C(C=C1)C3(OC(=O)C4=C3C=CC=C4)C5=C(O2)C=C(C=C5)O MCULE-5707055618 [0,0,0,1,0,0|1,0,0]=2 16 B29R5.60615037 O=C1OC2(C3=C(C=C(C=C3)Cl)OC4=C2C=CC(=C4)Cl)C5=C1C=CC=C5 MCULE-4152362455 [0,0,0,1,0,0|2,0,0]=3 17 B29R5.60615037 O=C1OC2(C3=C(C=C(C=C3)[O-])OC4=C2C=CC(=C4)[O-])C5=C1C=CC=C5 MCULE-1552521657 [0,0,0,1,0,0|0,0,2]=3 18 B29R5.60615037 O=C1OC2(C3=CC=C(C=C3OC4=C2C=CC(=C4)O)O)C5=C1C=CC=C5 MCULE-5973546476 [0,0,0,1,0,0|0,0,0]=1 19 B29R5.60615037 O=C1OC2(C3=CC=CC=C13)C4=C(C=C(C=C4)O)OC5=C2C=CC(=C5)O MCULE-6725544554 [0,0,0,1,0,0|0,0,0]=1 20 B29R4.53845093 O=C(O)C1=C(C=CC=C1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O MCULE-1622902986 [0,0,0,0,0,1|0,0,1]=2 21 B26R3.497743 O=C(O)C1=C(C=CC=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O MCULE-6988763752 [1,0,1,0,0,0|0,0,0]=2 22 B26R3.497743 O=C1C=CC(=C(C2=CC=C(C=C2)O)C3=CC=CC=C3C(=O)O)C=C1 MCULE-3671982063 [1,0,1,0,0,0|0,0,2]=4 23 B30R4.2224181546 O=C(O)C1=C(C=CC=C1)C2=C3C=C(C(=O)C=C3OC4=C2C=C(C(=C4)O)Cl)Cl MCULE-4914807126 [0,2,0,0,0,0|0,0,2]=4 24 B30R4.2224181546 O=C(O)C1=C(C=CC=C1)C2C3=C(C=C(C(=C3)Cl)O)OC4=C2C=C(C(=C4)O)Cl MCULE-4162785785 [0,2,0,0,0,0|0,0,0]=2 25 B30R4.2224181546 O=C(O)C1=CC=CC=C1C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C24)F)O)F MCULE-3540481644 [0,2,0,0,0,0|0,0,2]=4 26 B30R4.2003949808 O=C(O)C1=CC=CC=C1C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)O)Br MCULE-8012873389 [0,2,0,0,0,0|0,0,2]=4 27 B30R4.2003949808 O=C(O)C1=CC=CC=C1C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O MCULE-6383295089 [0,2,0,0,0,0|0,0,2]=4 28 B30R5.41954160 O=S1(=O)OC2(C3=CC=CC=C13)C4=C(C=C(C=C4)O)OC5=C2C=CC(=C5)O MCULE-7930776623 [0,1,0,1,0,0|1,0,0]=3 29 B30R5.41954199 NC1=CC2=C(C=C1)C3(OC2=O)C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O MCULE-8998187936 [0,1,0,1,0,0|0,0,0]=2 30 B30R5.41954159 O=C1OC2(C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)C5=C1C(=CC=C5)Cl MCULE-2114995063 [0,1,0,1,0,0|0,0,0]=2 31 B30R5.221430682 NN1C(=O)C2=C(C13C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)C=CC=C2 MCULE-6265179811 [0,1,0,1,0,0|1,0,0]=3 32 B30R5.41954182 NC1=CC2=C(C=C1)C(=O)OC23C4=CC=C(C=C4OC5=C3C=CC(=C5)O)O MCULE-7418337109 [0,1,0,1,0,0|0,0,0]=2