0 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 C15271 [1,0,0,0,0,0|1,0,2]=4 1 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 D96951 [1,0,0,0,0,0|2,0,0]=3 2 B14R2.450 O=C(O)C1=C(Br)C2=C(N=CC=C2)S1 93478 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.450 O=C(O)C1=C(Br)C2=NC=CC=C2S1 P19219 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.450 O=C(O)C1=C(Br)N2C=CC=CC2=N1 59882 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C76764 [1,0,0,0,0,0|2,0,0]=3 6 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 A10591 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.450 O=C(O)C1=NN2C=CC=CC2=C1Br 73518 [1,0,0,0,0,0|2,0,1]=4 8 B14R2.1129 CCC1=C(C=O)C2=C(C=CC=C2)S1 D76343 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.27456 O=C(O)C1=C(C(=O)O)C2=C(C=CC=C2)N1 C71127 [0,1,0,0,0,0|0,0,0]=1 10 B16R2.27456 O=C(O)C1=NN2C=CC=CC2=C1C(=O)O A51102 [0,1,0,0,0,0|1,0,1]=3 11 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O F10610 [0,0,1,0,0,0|2,0,1]=4 12 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O T72675 [0,0,1,0,0,0|2,0,1]=4 13 B16R3.3329 ClC1=C2NC3=C(C=CC=C3)C2=CC=C1 C75630 [0,0,0,1,0,0|3,0,0]=4 14 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 D79299 [0,0,0,1,0,0|2,0,1]=4 15 B16R3.3329 O=C1NC=NC2=C1NC3=C2C=CC=C3 C75888 [0,0,0,1,0,0|3,0,0]=4 16 B16R3.3329 O=C1NCCC2=C1NC3=C2C=CC=C3 AC4806 [0,0,0,1,0,0|2,0,1]=4 17 B16R3.3329 OC1=C2OC3=C(C=CC=C3)C2=CC=C1 W16932 [0,0,0,1,0,0|3,0,0]=4 18 B16R2.40082 COC1=CC(C(=O)O)=NC2=CC=CC=C21 D73297 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.45 CC1=C(C=O)NC2=C1C=CC=C2 C13632 [2,0,0,0,0,0|0,0,1]=3 20 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)O1 W18830 [2,0,0,0,0,0|2,0,0]=4 21 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)S1 FD7228 [2,0,0,0,0,0|2,0,0]=4 22 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [2,0,0,0,0,0|1,0,0]=3 23 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 P15923 [2,0,0,0,0,0|2,0,0]=4 24 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 D97587 [2,0,0,0,0,0|1,1,0]=4 25 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [2,0,0,0,0,0|1,0,0]=3 26 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 37347 [2,0,0,0,0,0|2,0,0]=4 27 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [2,0,0,0,0,0|2,0,0]=4 28 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [2,0,0,0,0,0|2,0,0]=4 29 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 87593 [2,0,0,0,0,0|2,0,0]=4 30 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P11993 [2,0,0,0,0,0|2,0,0]=4 31 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P11142 [2,0,0,0,0,0|2,0,0]=4 32 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [2,0,0,0,0,0|2,0,0]=4 33 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [2,0,0,0,0,0|1,0,1]=4 34 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [2,0,0,0,0,0|2,0,0]=4 35 B13R2.135 CC1=C(C=O)C2=C(N=CC=C2)N1 26469 [2,0,0,0,0,0|1,0,1]=4 36 B13R2.135 O=CC1=C(Br)NC2=C1C=CC=C2 W10804 [2,0,0,0,0,0|1,0,0]=3 37 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=C2)O1 C75708 [1,1,0,0,0,0|2,0,0]=4 38 B15R2.1592 COC(=O)C1=C(O)C2=C(C=CC=C2)N1 F53546 [1,1,0,0,0,0|0,0,1]=3 39 B15R2.1592 COC(=O)[C@@H]1CC2=C(C=CC=C2)C1=O 84725 [1,1,0,0,0,0|1,0,1]=4 40 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Br)C=C2 87130 [1,1,0,0,0,0|0,0,1]=3 41 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(Cl)C=C2 87141 [1,1,0,0,0,0|0,0,1]=3 42 B15R2.13463 CC1=C(C(=O)O)SC2=C(Cl)C=CC=C12 87251 [1,1,0,0,0,0|1,0,1]=4 43 B15R2.13629 CC1=C(C(=O)O)SC2=C1C(F)=CC=C2 51659 [1,1,0,0,0,0|1,0,1]=4 44 B15R2.13629 CC1=C(C(=O)O)SC2=CC=CC(Cl)=C21 84251 [1,1,0,0,0,0|1,0,1]=4 45 B15R2.14758 O=C(O)C1=C(Cl)C2=C(C=C(Cl)C=C2)S1 D78291 [1,1,0,0,0,0|2,0,0]=4 46 B15R2.14758 O=C(O)C1=C(O)C2=C(C=C(Cl)C=C2)S1 C72570 [1,1,0,0,0,0|1,0,1]=4 47 B17R2.45126 O=C(O)C1=NC2=CC=CC=C2N=C1C(=O)O D86438 [0,1,0,0,0,1|0,0,1]=3 48 B17R2.57403 COC(=O)C1=C2C=CC=CN2N=C1C(=O)O D85432 [0,2,0,0,0,0|1,0,1]=4 49 B17R2.50009 CCOC(=O)C1=C(C=O)C2=C(C=CC=C2)N1 C15158 [0,2,0,0,0,0|0,0,0]=2 50 B17R2.83594 COC(=O)C1=C(C=O)C2=C(C=CC=C2)N1C 79217 [0,2,0,0,0,0|0,0,0]=2 51 B15R2.984 NC1=CC2=CC=CC=C2N=C1C(=O)O O10947 [0,0,1,1,0,0|1,0,1]=4 52 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1I W19073 [0,0,1,1,0,0|2,0,0]=4 53 B15R2.984 O=C(O)C1=NC2=CC=CC=C2C=C1O D83313 [0,0,1,1,0,0|0,0,2]=4 54 B15R2.993 O=C(O)\C=C1/C(=O)NC2=C1C=CC=C2 D85471 [0,0,1,1,0,0|2,0,0]=4 55 B15R2.63 O=C(O)C1=CN=CN1C2=CC=CC=C2 F11123 [0,0,1,1,0,0|2,0,0]=4 56 B15R2.14951 CC1=CC(C(=O)O)=NC2=CC=CC=C12 71379 [0,0,1,1,0,0|1,0,1]=4 57 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)N1 C14645 [0,0,1,1,0,0|0,0,0]=2 58 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)N1 AC6743 [0,0,1,1,0,0|2,0,0]=4 59 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(Br)=C1 93808 [0,0,1,1,0,0|2,0,0]=4 60 B15R2.14951 O=C(O)C1=NC2=CC=CC=C2C(Br)=C1 C73945 [0,0,1,1,0,0|1,0,1]=4 61 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CN=C3)N2 51754 [1,0,0,1,0,0|2,0,0]=4 62 B15R2.627 O=C(O)C1=COC2=C(C=CC=C2)C1=O A12476 [1,0,0,0,0,1|1,0,0]=3 63 B15R2.629 O=C(O)CN1CC2=C(C=CC=C2)C1=O C15725 [1,0,0,0,0,1|2,0,0]=4 64 B15R2.117 O=CC1=CC2=CC=CC=C2C=C1C=O 73961 [1,0,0,0,0,1|1,0,0]=3