0 B15R2.2226 ClC(c1ccccc1)c2ccccc2 T20360 [0,0,0,0,0,0|1,0,1]=2 1 B15R2.2226 NC(c1ccccc1)c2ccccc2 T30373 [0,0,0,0,0,0|1,0,1]=2 2 B15R2.2226 O=C(c1ccccc1)c2cccnc2 T20608 [0,0,0,0,0,0|1,0,0]=1 3 B14R2.6 N(c1ccccc1)c2ccccc2 T8048 [1,0,0,0,0,0|1,0,0]=2 4 B14R2.6 S(c1ccccc1)c2ccccc2 T0574 [1,0,0,0,0,0|1,0,0]=2 5 B16R2.120 Oc1ccc(cc1)C(=O)c2ccccc2 T0624 [0,1,0,0,0,0|0,0,0]=1 6 B16R2.187 N#CC(c1ccccc1)c2ccccc2 T0623 [0,1,0,0,0,0|1,0,1]=3 7 B16R2.2945 ClC(Cl)(c1ccccc1)c2ccccc2 T0544 [0,1,0,0,0,0|1,0,1]=3 8 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 T20361 [0,1,0,0,0,0|0,0,0]=1 9 B16R2.3896 Cc1ccccc1C(O)c2ccccc2 T0566 [0,1,0,0,0,0|0,0,2]=3 10 B16R2.3896 Clc1ccccc1C(=O)c2ccccc2 T0633 [0,1,0,0,0,0|0,0,0]=1 11 B16R3.20606 O=C1c2ncccc2-c3cccnc13 T18971 [0,0,0,1,0,0|2,0,0]=3 12 B16R3.20606 OC1c2ccccc2-c3ccccc13 T8633 [0,0,0,1,0,0|0,0,2]=3 13 B16R2.88 N[C@H](C1=CC=CC=C1)CC2=CC=CC=N2 T15706 [0,0,0,0,0,1|2,0,1]=4 14 B16R2.88 O=C(C1=CC=CN=C1)NC2=NC=CC=C2 T33664 [0,0,0,0,0,1|2,0,0]=3 15 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 T20347 [0,0,0,0,0,1|0,0,0]=1 16 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 T5651 [0,0,0,0,0,1|0,0,0]=1 17 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 T34017 [0,0,0,0,0,1|1,0,0]=2 18 B16R2.88 S=C(Nc1ccccn1)c2ccccn2 T5211 [0,0,0,0,0,1|2,1,0]=4 19 B16R2.88 [O-]/[N+](=N\c1ccccc1)c2ccccc2 T20284 [0,0,0,0,0,1|1,0,1]=3 20 B15R2.31 Clc1cccc(Nc2ccccc2)c1 T21220 [1,1,0,0,0,0|1,0,0]=3 21 B15R2.31 Oc1cccc(Nc2ccccc2)c1 T21197 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.209 Cc1ccc(CC(N)c2ccccc2)cc1 T29536 [0,1,0,0,0,1|1,0,1]=4 23 B17R2.3417 Ic1ccccc1C(=O)Nc2ccccc2 T3601 [0,1,0,0,0,1|0,0,0]=2 24 B17R2.3417 Nc1ccccc1C(=O)Nc2ccccc2 T19097 [0,1,0,0,0,1|0,0,0]=2 25 B17R2.3417 Oc1ccccc1C(=O)Nc2ccccc2 T0753 [0,1,0,0,0,1|0,0,0]=2 26 B17R2.3417 Oc1ccccc1C(=O)Oc2ccccc2 T20250 [0,1,0,0,0,1|0,0,0]=2 27 B17R2.3426 Nc1ccccc1NC(=O)c2cnccn2 T2294 [0,1,0,0,0,1|2,0,0]=4 28 B17R2.5293 Cc1cccc(OC(=O)c2ccccc2)c1 T31093 [0,1,0,0,0,1|0,0,0]=2 29 B17R2.5293 Clc1cccc(NC(=O)c2ccccn2)c1 T13317 [0,1,0,0,0,1|1,0,0]=3 30 B17R2.5293 Clc1cccc(NC(=O)c2ccccn2)c1 T6727 [0,1,0,0,0,1|1,0,0]=3 31 B17R2.10205 O=C(C(=O)c1ccccc1)c2ccccc2 T20305 [0,1,0,0,0,1|0,0,0]=2 32 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 T3939 [0,1,0,0,0,1|0,0,0]=2 33 B17R2.10205 O[C@@H]([C@H](O)c1ccccc1)c2ccccc2 T19540 [0,1,0,0,0,1|0,0,2]=4 34 B17R2.20249 CC(N)(Cc1ccccc1)c2ccccc2 T50052 [0,1,0,0,0,1|1,0,1]=4 35 B17R2.203 CC(C)(c1ccccc1)c2ccc(O)cc2 T5628 [0,2,0,0,0,0|1,0,1]=4 36 B17R2.203 Clc1ccc(cc1)S(=O)(=O)c2ccccc2 T20487 [0,2,0,0,0,0|1,0,0]=3 37 B17R2.217 Nc1ccc(cc1)S(=O)c2ccc(N)cc2 T29424 [0,2,0,0,0,0|1,0,0]=3 38 B17R2.217 Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2 T1344 [0,2,0,0,0,0|0,0,0]=2 39 B17R2.381 Nc1ccccc1C(=O)c2ccc(F)cc2 T7937 [0,2,0,0,0,0|0,0,0]=2 40 B17R2.381 Oc1ccc(cc1)C(=O)c2ccccc2O T7036 [0,2,0,0,0,0|0,0,0]=2 41 B17R2.5362 Oc1ccc(C(=O)c2ccccc2)c(O)c1 T7338L [0,2,0,0,0,0|0,0,0]=2 42 B17R2.159 NCCC(c1ccccc1)c2ccccc2 T0560 [0,2,0,0,0,0|1,0,1]=4 43 B17R2.5711 CC(=O)C(c1ccccc1)c2ccccc2 T20356 [0,2,0,0,0,0|0,0,1]=3 44 B17R2.5711 CC(=O)N(c1ccccc1)c2ccccc2 T20295 [0,2,0,0,0,0|1,0,0]=3 45 B17R2.5356 Nc1ccc(Cl)cc1C(=O)c2ccccc2 T1685 [0,2,0,0,0,0|0,0,0]=2 46 B15R3.3 [I+]1c2ccccc2-c3ccccc13 T7191 [1,0,0,1,0,0|1,0,0]=3 47 B15R3.3 c1ccc2c(c1)[nH]c3cnccc23 T4024 [1,0,0,1,0,0|2,0,0]=4 48 B15R3.3 c1ccc2c(c1)oc3ccccc23 T20238 [1,0,0,1,0,0|1,0,0]=3 49 B15R3.3 c1ccc2c(c1)sc3ccccc23 T0352 [1,0,0,1,0,0|1,0,0]=3 50 B17R3.8708 c1c(oc2ccccc12)-c3ccncc3 T34202 [0,0,0,1,0,1|1,0,1]=4 51 B17R3.54615 O=c1[nH]c2ncccc2c3ccccc13 T29170 [0,0,0,1,0,1|1,0,0]=3 52 B17R3.54615 Oc1cc2ccccc2c3ccccc13 T22537 [0,0,0,1,0,1|0,0,1]=3 53 B17R3.182920 CCn1c2ccccc2c3ccccc13 T20388 [0,1,0,1,0,0|2,0,0]=4 54 B17R3.35227 C[n+]1c2ccccc2nc3ccccc13 T8138 [0,1,0,1,0,0|2,0,0]=4 55 B17R3.35227 Nc1c2ccccc2nc3ccccc13 T0289 [0,1,0,1,0,0|1,0,0]=3 56 B17R3.35227 Nc1c2ccccc2nc3ccccc13 T0289L [0,1,0,1,0,0|1,0,0]=3 57 B17R3.35227 Nc1c2ccccc2nc3ccccc13 T23624 [0,1,0,1,0,0|1,0,0]=3 58 B17R3.35227 O=c1c2ccccc2oc3ccccc13 T2982 [0,1,0,1,0,0|0,0,0]=2 59 B17R3.35227 OC1c2ccccc2Oc3ccccc13 T4582 [0,1,0,1,0,0|0,0,2]=4 60 B17R3.35227 Oc1c2ccccc2nc3ccccc13 T20003 [0,1,0,1,0,0|0,0,1]=3 61 B17R3.35227 [O-][n+]1c2ccccc2nc3ccccc13 T25942 [0,1,0,1,0,0|1,0,1]=4 62 B17R3.35227 c12c(c(c3ccccc3n1)[NH2+])cccc2 T21280 [0,1,0,1,0,0|1,0,0]=3 63 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 TN2282 [1,0,0,0,0,1|0,0,0]=2 64 B15R2.2195 C(=N\c1ccccc1)/c2ccccc2 T20318 [1,0,0,0,0,1|0,0,0]=2 65 B15R2.2195 C(Nc1ccccc1)c2ccccc2 T0651 [1,0,0,0,0,1|0,0,1]=3 66 B15R2.2195 c1ccc(cc1)/N=N/c2ccccc2 T0609 [1,0,0,0,0,1|1,0,0]=3 67 B15R2.2195 c1ccc(cc1)C#Cc2cccnc2 T50090 [1,0,0,0,0,1|1,0,1]=4 68 B15R2.64 N=C(Nc1ccccc1)c2cccs2 T50088 [0,0,0,0,1,1|2,0,0]=4 69 B15R2.64 O=C(Nc1cccnc1)c2cccs2 T8762 [0,0,0,0,1,1|2,0,0]=4 70 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20910 [0,0,0,0,0,2|2,0,0]=4 71 B17R2.143 CN(CC1=CC=CC=C1)CC2=CC=CC=C2 T20911 [0,0,0,0,0,2|2,0,0]=4 72 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 T20253 [0,0,0,0,0,2|1,0,0]=3 73 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 T2716 [0,0,0,0,0,2|0,0,0]=2 74 B17R2.2342 O=C(/C=C/c1ccccc1)c2ccccc2 T2S0961 [0,0,0,0,0,2|0,0,0]=2 75 B17R2.2342 O=C(C1=NC=CC=C1)NNC2=NC=CC=C2 T9243 [0,0,0,0,0,2|2,0,0]=4 76 B17R2.2342 O=C(NNc1ccccc1)c2ccncc2 T1869 [0,0,0,0,0,2|1,0,0]=3 77 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 T0729 [0,0,0,0,0,2|0,0,0]=2 78 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 T7713 [0,0,0,0,0,2|1,0,0]=3 79 B17R2.2342 O=C(\C=C\c1cnccc1)c2ccncc2 T22223 [0,0,0,0,0,2|2,0,0]=4 80 B17R2.2342 O=C(c1ccncc1)C=Cc2cnccc2 T3260 [0,0,0,0,0,2|2,0,0]=4 81 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 T3322 [0,0,0,0,0,2|0,0,0]=2