0 B13R2.1613 C=Cc1cccc2c1cccc2 H51043 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1613 CCc1cccc2c1cccc2 H56413 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.1613 COc1cccc2c1cccc2 B24825 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.1613 c1ccc2c(c1)cccc2C#N L14498 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.1613 c1ccc2c(c1)cccc2C=O A15610 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 c1ccc2c(c1)cccc2CBr H64116 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.1613 c1ccc2c(c1)cccc2CCl B24385 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.1613 c1ccc2c(c1)cccc2CN L03541 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.1613 c1ccc2c(c1)cccc2CO L01347 [0,0,0,0,0,0|4,0,0]=4 9 B13R2.1613 c1ccc2c(c1)ccnc2C#N L19425 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.1613 c1ccc2c(c1)cncc2C=O H61788 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.1613 c1ccc2c(c1)cnnc2NN B22995 [0,0,0,0,0,0|0,0,0]=0 12 B12R2.1081 Cc1c2ccccc2ccn1 H27029 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.1081 Cc1cccc2c1cccc2 A15327 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 c1cc(c2cccnc2c1)N L19628 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 c1cc2cccnc2c(c1)N A16752 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 c1cc2cnccc2c(c1)N L01223 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [1,0,0,0,0,0|2,0,1]=4 18 B12R2.1081 c1ccc2c(c1)c(ncn2)N H66948 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.1081 c1ccc2c(c1)c(ncn2)O A17129 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.1081 c1ccc2c(c1)cccc2Br A14122 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.1081 c1ccc2c(c1)cccc2Cl A15029 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.1081 c1ccc2c(c1)cccc2F A18378 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 c1ccc2c(c1)cccc2I B22644 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 c1ccc2c(c1)cccc2N 44088 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.1081 c1ccc2c(c1)cccc2N H60409 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.1081 c1ccc2c(c1)cccc2O A11862 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 c1ccc2c(c1)cccc2S B24876 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 c1ccc2c(c1)cccc2[Mg+] H51159 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.1081 c1ccc2c(c1)ccnc2Cl L17831 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.1081 c1ccc2c(c1)ccnc2O H29124 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.1081 c1ccc2c(c1)cncc2Br A15951 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.1081 c1ccc2c(c1)cnnc2Cl H27143 [1,0,0,0,0,0|1,0,0]=2 33 B14R2.7150 CCNc1cccc2c1cccc2 A19502 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.7150 CNCc1cccc2c1cccc2 H28719 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.31359 B(c1cncc2c1cccc2)(O)O L20430 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.31359 CC(=O)c1cncc2c1cccc2 H34206 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.31359 CC(c1cccc2c1cccc2)N L09342 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.31359 CN(C)c1cccc2c1cccc2 36438 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N A17176 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N L19301 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.31359 C[C@H](c1cccc2c1cccc2)N A16918 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.31359 C[C@H](c1cccc2c1cccc2)N H66696 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.31359 C[C@H](c1cccc2c1cccc2)N L19300 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.31359 c1ccc2c(c1)cccc2C(=O)N L08364 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.31359 c1ccc2c(c1)cccc2C(=S)N H52204 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.31359 c1ccc2c(c1)ccnc2C(=O)O L05985 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.77 COc1ccccc1C(=O)NN A13619 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.222 Cc1ccccc1C(=O)NN L00668 [1,0,1,0,0,0|1,0,1]=4 49 B11R1.222 Cc1ccccc1\C(=N\O)\N H51719 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N H51782 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [1,0,1,0,0,0|2,0,0]=4 57 B11R2.20 c1ccc2c(c1)cncn2 B24094 [2,0,0,0,0,0|2,0,0]=4 58 B11R2.20 c1ccc2ccccc2c1 33347 [2,0,0,0,0,0|2,0,0]=4 59 B11R2.20 c1ccc2ccccc2c1 A13188 [2,0,0,0,0,0|2,0,0]=4 60 B11R2.20 c1ccc2cnccc2c1 B21279 [2,0,0,0,0,0|1,0,0]=3 61 B11R2.20 c1ccc2cnncc2c1 A12270 [2,0,0,0,0,0|0,0,0]=2 62 B13R2.32 c1ccc2c(c1)ccc(c2N)O B24492 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 c1cc(cc2c1ccnc2Cl)Br L19946 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 c1cc(cc2c1ccnc2O)Br L17800 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.162 c1cc2ccc(cc2c(c1)N)O A19404 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N L13783 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 c1ccc2c(c1)cc(nc2Br)N H50368 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl H59873 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.342 c1cc2c(cccc2N)c(c1)N B24262 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.371 c1ccc2c(c1)c(=O)[nH]nc2Cl H27515 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.371 c1ccc2c(c1)c(ccc2O)N B23978 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.371 c1ccc2c(c1)c(nnc2Cl)Cl H33295 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.4818 c1cc2cccc(c2c(c1)N)N A15966 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.5179 c1cc2c(cc1Br)CN=NC2=O H65609 [1,1,0,0,0,0|1,0,1]=4 75 B15R2.18471 c1ccc2c(c1)cccc2NCCN A17164 [0,2,0,0,0,0|2,0,0]=4 76 B15R2.18471 c1ccc2c(c1)cccc2NCCN J63214 [0,2,0,0,0,0|2,0,0]=4 77 B15R2.68122 c1ccc2c(c1)cccc2NC(=S)N A19024 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.79765 c1ccc2c(c1)cccc2C(=O)NN L07942 [0,2,0,0,0,0|2,0,0]=4 79 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)N A19914 [0,0,1,1,0,0|2,0,0]=4 80 B13R2.18 Cc1ccccc1c2[nH]nnn2 L19262 [0,0,1,1,0,0|0,0,2]=4 81 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)Br B21966 [0,0,1,1,0,0|1,0,1]=4 82 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)Cl L11164 [0,0,1,1,0,0|1,0,1]=4 83 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)F L19259 [0,0,1,1,0,0|1,0,1]=4 84 B13R2.18 c1ccc(c(c1)c2[nH]nnn2)O H27672 [0,0,1,1,0,0|1,0,1]=4 85 B11R2.1 Cn1c2ccccc2nn1 L00297 [1,0,0,0,1,0|2,0,0]=4 86 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,0,1,0|1,0,0]=3 87 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [1,0,0,0,1,0|1,0,1]=4 88 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [1,0,0,0,1,0|0,0,1]=3 89 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.1 c1ccn2c(c1)ncc2N H58726 [1,0,0,0,1,0|2,0,0]=4 91 B11R2.1 c1ccn2c(c1)nnc2N H58980 [1,0,0,0,1,0|1,0,0]=3 92 B11R2.1 c1ccn2c(c1)nnc2S H32694 [1,0,0,0,1,0|2,0,0]=4