0 B13R2.12159 C1=CC=C2C(=C1)C(=O)SS2(=O)=O PI-18807 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.12159 C1=CC=C2C(=C1)C(OS2(=O)=O)Cl PI-19371 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.12159 O=C1OS(=O)(=O)c2c1cccc2 PI-18005 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.2028 N=C1NC(=N)c2ccccc12 PI-37309 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.2403 C1=CC=C2C(=C1)C=CS2(=O)=O PI-30948 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [1,0,0,0,0,0|1,0,1]=3 11 B14R2.57380 O=C1N(Cl)S(=O)(C2=C1C=CC=C2)=O PI-37066 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl PI-20052 [0,0,1,0,0,0|2,0,1]=4 13 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)N=C=O PI-11433 [0,0,1,0,0,0|0,0,2]=3 14 B12R1.39 C=CCS(=O)(=O)C1=CC=CC=C1 PI-29173 [0,0,1,0,0,0|2,0,0]=3 15 B12R1.76 C1=CC=C(C(=C1)C#N)S(=O)(=O)Cl PI-30855 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.76 C1=CC=C(C(=C1)C#N)S(=O)(=O)N PI-34253 [0,0,1,0,0,0|1,0,1]=3 17 B12R1.76 O=S(C1=CC=CC=C1OC)(Cl)=O PI-40965 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,0,1,0,0,0|2,0,1]=4 19 B12R1.107 NC(=S)NC(=O)c1ccccc1 PI-28687 [0,0,1,0,0,0|2,1,0]=4 20 B12R1.261 B(C1=CC=CC=C1C(=O)N)(O)O PI-25519 [0,0,1,0,0,0|1,0,2]=4 21 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-] PI-17814 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-] PI-50446 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-] PI-20687 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)C PI-29862 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O PI-29712 [0,0,1,0,0,0|2,0,1]=4 26 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)C PI-12212 [0,0,1,0,0,0|2,0,1]=4 27 B11R1.7 C1=C([S](C=C)(=O)=O)C=CC=C1 PI-13118 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.7 C1=CC(=CN=C1)S(=O)(=O)NN PI-50591 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [1,0,1,0,0,0|1,1,0]=4 36 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.53 O=Cc1ccccc1[N+](=O)[O-] PI-28637 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.87 Brc1ccccc1S(=O)(=O)Cl PI-14385 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)Cl PI-23452 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)N PI-23446 [1,0,1,0,0,0|1,0,0]=3 41 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl PI-15668 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)N)Cl PI-23132 [1,0,1,0,0,0|1,0,0]=3 43 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)O)I PI-48829 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.87 C1=CNC=C(C1=O)S(=O)(=O)O PI-16728 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl PI-50626 [1,0,1,0,0,0|1,0,1]=4 46 B11R1.87 Clc1ccncc1S(=O)(=O)N PI-12776 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.87 Ic1ccccc1S(=O)(=O)Cl PI-36530 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.87 Nc1ccccc1S(=O)(=O)N PI-30481 [1,0,1,0,0,0|1,0,0]=3 49 B11R1.87 O=S(C1=CC=CC=C1Br)(N)=O PI-14384 [1,0,1,0,0,0|1,0,0]=3 50 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [2,0,0,0,0,0|2,0,0]=4 52 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [2,0,0,0,0,0|0,0,1]=3 53 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [2,0,0,0,0,0|1,0,1]=4 54 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [2,0,0,0,0,0|1,1,0]=4 55 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [2,0,0,0,0,0|1,1,0]=4 56 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [2,0,0,0,0,0|1,0,1]=4 58 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [2,0,0,0,0,0|2,0,0]=4 59 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [2,0,0,0,0,0|1,0,1]=4 60 B13R1.29 C1=CC(=CC=C1S(=O)(=O)N=C=O)Cl PI-11436 [0,1,1,0,0,0|0,0,2]=4 61 B13R1.29 CC1=CC=C(C=C1)S(=O)(=O)N=C=O PI-48568 [0,1,1,0,0,0|0,0,2]=4 62 B13R1.29 CC1=CC=C(C=C1)S(=O)(=O)N=S=O PI-19560 [0,1,1,0,0,0|1,0,1]=4 63 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Br PI-19281 [0,1,1,0,0,0|1,0,1]=4 64 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)N PI-15892 [0,1,1,0,0,0|1,0,1]=4 65 B13R1.30 O=S(C1=CC=CC(Br)=C1)(NCC)=O PI-19954 [0,1,1,0,0,0|1,0,1]=4 66 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 PI-30652 [0,1,1,0,0,0|1,0,0]=3 67 B13R1.2819 C1=CC=C(C(=C1)S(=O)(=O)N=C=O)Cl PI-11435 [0,1,1,0,0,0|0,0,2]=4 68 B13R1.2819 CC1=CC=CC=C1S(=O)(=O)N=C=O PI-11434 [0,1,1,0,0,0|0,0,2]=4 69 B13R1.53 CC1=CC(=C(C=C1)S(=O)(=O)N)OC PI-19746 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.53 O=Cc1cc(F)ccc1S(=O)(=O)C PI-23779 [0,1,1,0,0,0|1,0,0]=3 71 B13R1.349 [O-][N+](=O)c1ccccc1S(=O)(=O)Cl PI-33424 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.349 [O-][N+](=O)c1ccccc1S(=O)(=O)N PI-14596 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.3090 O=Cc1ccc(Br)cc1S(=O)(=O)C PI-22171 [0,1,1,0,0,0|1,0,0]=3 74 B13R1.165 C1=CC(=C(C=C1Cl)C(=O)N)[N+](=O)[O-] PI-30587 [0,1,1,0,0,0|1,0,1]=4 75 B13R1.547 C1=CC=C(C(=C1)C(=O)NN)[N+](=O)[O-] PI-14597 [0,1,1,0,0,0|1,0,1]=4 76 B13R2.3085 CN1C(=O)c2c(C1=O)cccc2 PI-24486 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.3085 NN1C(=O)c2c(C1=O)cccc2 PI-30246 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.3085 O=C1N(Br)C(C2=C1C=CC=C2)=O PI-30370 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.4857 C1=CC2=C(C(=C1)Cl)C(=O)OC2=O PI-10203 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.4857 O=C1NC(=O)c2c1c(N)ccc2 PI-17440 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.4857 O=C1OC(=O)c2c1c(F)ccc2 PI-10663 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.4857 O=C1OC(=O)c2cccc(C)c12 PI-17479 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.4857 O=C1OC(=O)c2cccc(O)c12 PI-17470 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.5187 Brc1ccc2C(=O)OC(=O)c2c1 PI-22575 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.5187 C1=CC2=C(C=C1Br)C(=O)NC2=O PI-22750 [1,1,0,0,0,0|1,0,0]=3 87 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O PI-10664 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.5187 C1=CC2=C(C=C1N)C(=O)NC2=O PI-12494 [1,1,0,0,0,0|1,0,0]=3 89 B13R2.5187 C1=CC2=C(C=C1O)C(=O)OC2=O PI-45413 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.5187 CC1=CC2=C(C=C1)C(=O)NC2=O PI-33555 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.3791 C1=CC(=CC2=C1C=CS2(=O)=O)N PI-29312 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,0,1,1,0,0|2,0,0]=4 94 B13R2.371 C1=CC=C2C(=C1)C(=O)NNC2=O PI-12810 [0,0,1,1,0,0|2,0,0]=4 95 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,1,0,1,0|2,0,0]=4 96 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,0,1,0,1,0|1,0,1]=4 97 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,0,1,0,0,1|1,0,1]=4