0 B12R2.252 CC(=O)C1=CN2C=CN=C2S1 OR321337 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 OR346111 [0,0,0,0,0,0|1,1,0]=2 2 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 OR0190 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 OR102961 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 OR54533 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 OR0694 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 OR6352 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 OR360558 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.15 O=CC1=CC2=C(C=CS2)S1 OR101767 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.531 COC(=O)C1=CC2=C(C=CO2)N1 OR1443 [0,1,0,0,0,0|1,1,0]=3 10 B13R2.531 COC(=O)C1=CC2=C(C=CS2)N1 OR1442 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 OR8520 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.531 COC(=O)C1=CC2=C(N1)OC=C2 OR346110 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 OR42104 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)S1 OR8551 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CO2 OR3798 [0,1,0,0,0,0|1,1,0]=3 16 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 OR6747 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.2334 O=C(O)C1=C(Cl)C2=C(SC=C2)S1 OR12265 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O OR14732 [0,0,1,0,0,0|1,0,2]=4 19 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O OR14715 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O OR14716 [0,0,1,0,0,0|2,0,1]=4 21 B13R2.430 CC(=O)C1=CC2=C(C=C1)SC=N2 OR55232 [0,0,0,0,0,1|2,0,0]=3 22 B13R2.430 O=C(Cl)C1=CC2=C(C=C1)SN=N2 OR01800 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 OR3419 [0,0,0,0,0,1|1,0,0]=2 24 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 OR10183 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=N2 OR23258 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 OR23098 [0,0,0,0,0,1|2,1,0]=4 27 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 OR23085 [0,0,0,0,0,1|1,0,0]=2 28 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=N2 OR7489 [0,0,0,0,0,1|2,0,0]=3 29 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 OR3398 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 OR59396 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 OR3607 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 OR23124 [0,0,0,0,0,1|3,0,0]=4 33 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 OR110125 [0,0,0,0,0,1|1,1,0]=3 34 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 OR01704 [0,0,0,0,0,1|2,0,0]=3 35 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 OR6355 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 OR308076 [0,0,0,0,0,1|3,0,0]=4 37 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 OR40241 [0,0,0,0,0,1|1,0,2]=4 38 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 OR305191 [0,0,0,0,0,1|2,0,0]=3 39 B13R2.430 O=[N+]([O-])C1=CC=C2N=CSC2=C1 OR30630 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 OR110958 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 OR6305 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 OR7075 [0,0,0,0,0,1|3,0,0]=4 43 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)S1 OR6789 [0,0,0,0,0,1|2,0,0]=3 44 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 OR11262 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 OR46104 [0,0,0,0,0,1|1,0,0]=2 46 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 OR15126 [0,0,0,0,0,1|2,0,0]=3 47 B13R2.435 O=C(O)C1=CC2=CC=NC=C2N1 OR46105 [0,0,0,0,0,1|1,0,0]=2 48 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 OR302052 [0,0,0,0,0,1|2,0,0]=3 49 B13R2.435 O=C(O)C1=CC2=CN=CC=C2N1 OR302114 [0,0,0,0,0,1|2,0,0]=3 50 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 OR41130 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 OR6351 [0,0,0,0,0,1|2,0,1]=4 52 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 OR23116 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 OR7662 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.66 O=C(O)C=CC1=CC=CO1 OR6587 [1,0,1,0,0,0|1,1,0]=4 55 B10R1.66 O=C(O)C=CC1=CC=CS1 OR6589 [1,0,1,0,0,0|1,0,0]=3 56 B10R1.66 O=C(O)C=CC1=CSC=C1 OR6590 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.31 N#CC1=CNC(C(=O)O)=C1 OR303210 [1,0,1,0,0,0|0,0,2]=4 58 B10R1.31 O=CC1=CC=C(C(=O)O)S1 OR7093 [1,0,1,0,0,0|1,1,0]=4 59 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 OR15435 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.298 N#C\C(=C\C1=CC=CS1)C(=O)O OR14206 [0,1,1,0,0,0|1,0,1]=4 61 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2N1 OR01727 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2S1 OR15100 [0,1,0,0,0,1|1,0,0]=3 63 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 OR15130 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.601 O=C(O)C1=CC=C2N=C(Cl)SC2=C1 OR12055 [0,1,0,0,0,1|1,0,0]=3 65 B14R2.601 O=C(O)C1=CC=C2N=C(O)SC2=C1 OR15097 [0,1,0,0,0,1|1,0,0]=3 66 B14R2.624 NC1=CC2=C(C=C1C(=O)O)N=CN2 OR53060 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 OR25948 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.966 COC(=O)C1=CC2=C(C=C1)SN=N2 OR0605 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.966 COC(=O)C1=CC=C2OC=NC2=C1 OR14141 [0,1,0,0,0,1|1,1,0]=4 70 B14R2.5719 CN1C=NC2=C1C=CC(C(=O)O)=C2 OR12418 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 OR5666 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 OR10191 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.972 COC(=O)C1=CC2=CC=CN=C2O1 OR41135 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.972 COC(=O)C1=CC2=NC=CC=C2N1 OR41118 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 OR15252 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 OR12042 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 OR10933 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 OR18603 [0,1,0,0,0,1|1,0,0]=3 79 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 OR5661 [0,1,0,0,0,1|2,0,0]=4 80 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 OR53050 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 OR13647 [0,2,0,0,0,0|1,0,0]=3 82 B10R1.23 O=C(O)C(=O)C1=CC=CS1 OR14231 [0,0,1,0,1,0|2,0,0]=4 83 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 OR5662 [1,0,0,0,0,1|2,0,0]=4 84 B12R2.32 O=CC1=CC2=C(N=CC=C2)S1 OR6738 [1,0,0,0,0,1|2,0,0]=4 85 B12R2.32 OCC1=CC2=CC=NC=C2N1 OR43671 [1,0,0,0,0,1|1,0,1]=4 86 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 OR2063 [1,0,0,0,0,1|2,0,0]=4 87 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 OR101286 [1,0,0,0,0,1|2,0,0]=4 88 B12R2.44 O=CC1=CC2=C(C=C1)SN=N2 OR2062 [1,0,0,0,0,1|2,0,0]=4 89 B12R2.44 O=CC1=CC=C2C=CSC2=C1 OR305609 [1,0,0,0,0,1|2,0,0]=4 90 B14R2.781 O=C(O)C1=CC2=NC=CC=C2C=C1 OR17564 [0,0,0,0,0,2|2,0,0]=4 91 B14R2.781 O=C(O)C1=CC2=NC=CN=C2C=C1 OR23160 [0,0,0,0,0,2|2,0,0]=4 92 B14R2.781 O=C(O)C1=CC=C2C=CN=CC2=C1 OR48110 [0,0,0,0,0,2|2,0,0]=4 93 B14R2.781 O=C(O)C1=CC=C2C=NC=CC2=C1 OR48100 [0,0,0,0,0,2|2,0,0]=4 94 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 OR23075 [0,0,0,0,0,2|2,0,0]=4 95 B14R2.781 O=C(O)C1=CN=C2C=CN=CC2=C1 OR01633 [0,0,0,0,0,2|2,0,0]=4 96 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 OR1008 [0,0,0,0,0,2|1,0,1]=4 97 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OC=N2 OR110170 [0,0,0,0,0,2|1,1,0]=4 98 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 OR6306 [0,0,0,0,0,2|2,0,0]=4