0 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 2099AC [0,0,0,0,0,0|4,0,0]=4 1 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 W6794 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CN2NC=CC2=N1 5357AC [0,0,0,0,0,0|2,0,1]=3 3 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 8063AA [0,0,0,0,0,0|2,1,1]=4 4 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 3839AB [0,1,0,0,0,0|0,1,0]=2 5 B13R2.531 COC(=O)C1=CC2=C(N1)OC=C2 0320AB [0,1,0,0,0,0|2,0,0]=3 6 B11R1.35 NC(CC1=COC=C1)C(=O)O 4688AB [0,0,1,0,0,0|2,0,1]=4 7 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O G556 [0,0,1,0,0,0|0,0,2]=3 8 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 2184AC [0,0,1,0,0,0|1,1,0]=3 9 B13R2.430 CC(=O)C1=CC2=C(C=CN2)C=C1 2614AC [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 CC(=O)C1=CN=C2C=COC2=C1 Z8214 [0,0,0,0,0,1|1,0,1]=3 11 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 W6445 [0,0,0,0,0,1|1,0,0]=2 12 B13R2.430 O=C(O)C1=CC2=C(N=CN2)N=C1 1883AB [0,0,0,0,0,1|2,0,1]=4 13 B13R2.430 O=C(O)C1=CC=C2CCOC2=C1 Z4578 [0,0,0,0,0,1|1,0,2]=4 14 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 Z7733 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 Z8614 [0,0,0,0,0,1|0,0,1]=2 16 B13R2.430 O=C(O)C1=CN=C2NN=CC2=C1 6367AC [0,0,0,0,0,1|3,0,0]=4 17 B13R2.430 O=C(O)C1=NN2C=CN=C2C=C1 X0345 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 S727 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 7065AE [0,0,0,0,0,1|3,0,0]=4 20 B13R2.435 NC(=O)C1=CC2=CC=CN=C2N1 Y8330 [0,0,0,0,0,1|2,0,0]=3 21 B13R2.435 NC(=S)C1=CC2=CC=CC=C2N1 7047AE [0,0,0,0,0,1|2,1,0]=4 22 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 5744AB [0,0,0,0,0,1|2,0,0]=3 23 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 8940AC [0,0,0,0,0,1|2,0,0]=3 24 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 3094AA [0,0,0,0,0,1|3,0,0]=4 25 B13R2.435 O=C(O)C1=NC2=C(C=CN=C2)N1 9033AF [0,0,0,0,0,1|2,0,0]=3 26 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 6832AC [0,0,0,0,0,1|2,0,0]=3 27 B10R1.66 O=C(Cl)\C=C\C1=CC=CS1 9119AD [1,0,1,0,0,0|1,1,0]=4 28 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [1,0,1,0,0,0|0,1,1]=4 29 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 X6258 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.31 N#CC1=CNC(C(=O)O)=C1 X5552 [1,0,1,0,0,0|1,0,1]=4 31 B10R1.58 O=C(O)C1=CC(Br)=C(Br)N1 1031AE [1,0,1,0,0,0|2,0,0]=4 32 B12R1.104 CC1=CC(NC(=O)C(=O)O)=NO1 3226AF [0,1,1,0,0,0|2,0,0]=4 33 B12R1.298 N#CC(=CC1=CC=CO1)C(=O)O 7118AE [0,1,1,0,0,0|0,0,1]=3 34 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)O1 7480AD [0,1,0,0,0,1|1,0,0]=3 35 B14R2.601 CC1=CC2=CC=C(C(=O)O)C=C2N1 1365AC [0,1,0,0,0,1|2,0,0]=4 36 B14R2.601 O=C1NC2=C(C=C(C(=O)O)C=C2)O1 5433AE [0,1,0,0,0,1|2,0,0]=4 37 B14R2.601 O=C1NC2=CC(C(=O)O)=CC=C2O1 0025AC [0,1,0,0,0,1|2,0,0]=4 38 B14R2.624 O=C(O)C1=CC2=C(C=C1Cl)NC=C2 Y8463 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 8743AB [0,1,0,0,0,1|1,0,0]=3 40 B14R2.5719 CC1=CNC2=C1C=CC(C(=O)O)=C2 Y8156 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CN=C21 5851AC [0,1,0,0,0,1|2,0,0]=4 42 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CS2)N=C1 3075AL [0,1,0,0,0,1|0,1,1]=4 43 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(F)=C1 4342AC [0,1,0,0,0,1|2,0,0]=4 44 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 Y9555 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 8328AB [0,1,0,0,0,1|2,0,0]=4 46 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 0811AQ [0,1,0,0,0,1|2,0,0]=4 47 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 9185AD [0,1,0,0,0,1|1,0,0]=3 48 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)O1 5281AD [0,1,0,0,0,1|2,0,0]=4 49 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 6900AJ [0,1,0,0,0,1|1,0,0]=3 50 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)S1 4840AD [0,1,0,0,0,1|2,0,0]=4 51 B14R2.972 COC(=O)C1=CC2=CC=NC=C2N1 6857AB [0,1,0,0,0,1|1,0,0]=3 52 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 0613AA [0,1,0,0,0,1|2,0,0]=4 53 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 7544AA [0,1,0,0,0,1|2,0,0]=4 54 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 4503AE [0,1,0,0,0,1|2,0,0]=4 55 B14R2.4529 NC(=O)C1=CC2=CC=C(Br)C=C2N1 2286AF [0,1,0,0,0,1|2,0,0]=4 56 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 X6436 [0,1,0,0,0,1|1,0,0]=3 57 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 W6248 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 6058AB [0,1,0,0,0,1|2,0,0]=4 59 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 W8522 [0,1,0,0,0,1|1,0,0]=3 60 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 6955AA [0,1,0,0,0,1|2,0,0]=4 61 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 6607AA [0,1,0,0,0,1|2,0,0]=4 62 B14R2.4529 O=C(O)C1=CC2=NC(Cl)=CC=C2N1 2495AC [0,1,0,0,0,1|1,0,0]=3 63 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)N=C2N1 Y6673 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.7969 CC1=C2C=C(C(=O)O)SC2=CC=C1 8952AA [0,1,0,0,0,1|2,0,0]=4 65 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2N1 4752AA [0,1,0,0,0,1|1,0,0]=3 66 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 Y5812 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 8093AD [0,1,0,0,0,1|2,0,0]=4 68 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 3305AB [0,1,0,0,0,1|2,0,0]=4 69 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 3730AA [0,1,0,0,0,1|1,0,0]=3 70 B14R2.7969 O=C(O)C1=CC2=C(I)C=CC=C2S1 2847AJ [0,1,0,0,0,1|2,0,0]=4 71 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 X8568 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 W8981 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Br)=CS2 X8942 [0,2,0,0,0,0|0,1,0]=3 74 B12R2.1384 O=C(O)C1=CC=C2C=CC2=C1 L676 [0,0,1,1,0,0|2,0,0]=4 75 B10R1.23 NC(C(=O)O)C1=COC=C1 X3278 [0,0,1,0,1,0|1,0,1]=4 76 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,0,1,0,0,1|2,0,0]=4 77 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 1099AQ [0,0,1,0,0,1|2,0,0]=4 78 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 2200AL [0,0,1,0,0,1|1,0,0]=3 79 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 2079AC [0,0,1,0,0,1|1,0,0]=3 80 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [0,0,1,0,0,1|2,0,0]=4 81 B12R2.32 O=CC1=CC2=NC=CC=C2N1 8910AA [1,0,0,0,0,1|1,0,0]=3 82 B12R2.32 OCC1=CC2=CC=NC=C2N1 8332AH [1,0,0,0,0,1|1,0,1]=4 83 B12R2.44 O=CC1=CC=C2N=COC2=C1 3572AC [1,0,0,0,0,1|2,0,0]=4 84 B12R2.44 O=CC1=CN=C2C=CNC2=C1 Z6439 [1,0,0,0,0,1|1,0,1]=4 85 B12R2.44 O=CC1=NC=C2NC=CC2=C1 5571AA [1,0,0,0,0,1|2,0,0]=4 86 B12R2.44 OCC1=CC2=C(C=N1)OC=C2 W6443 [1,0,0,0,0,1|1,0,1]=4 87 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 9649AH [0,0,0,0,0,2|1,0,1]=4 88 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 Y5348 [0,0,0,0,0,2|2,0,0]=4 89 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 0413AC [0,0,0,0,0,2|2,0,0]=4 90 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 V8914 [0,0,0,0,0,2|1,0,1]=4 91 B14R2.781 O=C(O)C1=CC=C2OCC=CC2=C1 7461AB [0,0,0,0,0,2|1,0,0]=3 92 B14R2.781 O=C(O)C1=CN=C2N=CC=CC2=C1 1079AA [0,0,0,0,0,2|1,0,1]=4 93 B14R2.781 O=C(O)C1=CN=C2N=CC=NC2=C1 2280AF [0,0,0,0,0,2|1,0,1]=4 94 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 0957AB [0,0,0,0,0,2|1,0,1]=4 95 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 W5438 [0,0,0,0,0,2|1,0,0]=3 96 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 W7417 [0,0,0,0,0,2|2,0,0]=4