0 B14R2.450 CC1=C(C(=O)O)CC2=CC=CC=C21 AC-8780 [1,0,0,0,0,0|1,0,1]=3 1 B14R2.450 CC1=C(C(=O)O)SC2=CC=CC=C21 AC-4590 [1,0,0,0,0,0|1,0,1]=3 2 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 AC-22708 [1,0,0,0,0,0|2,0,1]=4 3 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2N1 AC-7428 [1,0,0,0,0,0|1,0,0]=2 4 B16R2.3529 O=C(O)C1=C(CCO)C2=CC=CC=C2N1 AC-12242 [0,1,0,0,0,0|0,0,2]=3 5 B16R2.27456 CC(=O)N1C(C(=O)O)=CC2=CC=CC=C21 AC-23520 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.27456 CC(=O)N1C2=CC=CC=C2CC1C(=O)O AC-10188 [0,1,0,0,0,0|2,0,1]=4 7 B16R2.27456 CC(=O)N1C2=CC=CC=C2C[C@@H]1C(=O)O AC-12596 [0,1,0,0,0,0|2,0,1]=4 8 B16R2.27456 CC(=O)N1C2=CC=CC=C2C[C@H]1C(=O)O AC-12595 [0,1,0,0,0,0|2,0,1]=4 9 B16R2.27456 O=C(O)C1=NN2C=CC=CC2=C1C(=O)O AC-3275 [0,1,0,0,0,0|1,0,1]=3 10 B16R3.3329 BrC1=CC=CC2=C1NC3=C2C=CC=C3 AC-33532 [0,0,0,1,0,0|3,0,0]=4 11 B16R3.3329 CC1=NC=CC2=C1NC3=C2C=CC=C3 AC-15673 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 AC-24592 [2,0,0,0,0,0|2,0,0]=4 13 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 AC-29408 [2,0,0,0,0,0|2,0,0]=4 14 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 AC-3062 [2,0,0,0,0,0|0,0,0]=2 15 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 AC-22600 [2,0,0,0,0,0|1,0,0]=3 16 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 AC-4416 [2,0,0,0,0,0|1,0,0]=3 17 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 AC-22996 [2,0,0,0,0,0|1,0,0]=3 18 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 AC-22997 [2,0,0,0,0,0|1,0,0]=3 19 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 AC-28043 [2,0,0,0,0,0|1,0,1]=4 20 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 AC-23056 [2,0,0,0,0,0|1,0,0]=3 21 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 AC-3276 [2,0,0,0,0,0|1,0,1]=4 22 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 AC-1022 [2,0,0,0,0,0|0,0,2]=4 23 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 AC-27796 [2,0,0,0,0,0|0,0,2]=4 24 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 AC-3075 [2,0,0,0,0,0|0,0,2]=4 25 B13R2.435 O=C(O)[C@H]1CC2=CC=CC=C2N1 AC-1319 [2,0,0,0,0,0|0,0,2]=4 26 B13R2.435 OB(O)C1=CC2=CC=CC=C2N1 AC-19437 [2,0,0,0,0,0|1,0,1]=4 27 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 AC-23428 [2,0,0,0,0,0|0,0,1]=3 28 B13R2.135 O=CC1=C(Cl)NC2=CC=CC=C21 AC-18687 [2,0,0,0,0,0|1,0,0]=3 29 B15R2.1592 COC(=O)C1=C(N)C2=CC=CC=C2O1 AC-22918 [1,1,0,0,0,0|2,0,0]=4 30 B17R2.45126 O=C(O)C1=CC2=CC=CC=C2N=C1C(=O)O AC-8377 [0,1,0,0,0,1|0,0,1]=3 31 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O AC-10102 [0,0,1,1,0,0|1,0,1]=4 32 B15R2.63 O=C(O)C1=CC=NN1C2=CC=CC=C2 AC-28848 [0,0,1,1,0,0|1,0,0]=3 33 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 AC-7283 [0,0,1,1,0,0|1,0,0]=3 34 B15R2.14951 O=C(O)C1=NC(=O)C2=C(C=CC=C2)N1 AC-7203 [0,0,1,1,0,0|1,0,0]=3 35 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 AC-2262 [0,0,1,1,0,0|2,0,0]=4 36 B15R2.627 O=C(O)C1=C(O)C2=CC=CC=C2C=C1 AC-13237 [1,0,0,0,0,1|1,0,1]=4 37 B15R2.627 O=C(O)C1=NN=C2C=CC=CC2=C1O AC-27096 [1,0,0,0,0,1|0,0,2]=4