0 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 PI-50390 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 PI-34628 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.45 CN(C)CCC(C1=CC=CC=C1)N PI-34629 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.45 CN(C)CCC(C1=CC=CC=C1)O PI-45554 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.45 CN(\C=C\C(=O)c1cccnc1)C PI-38897 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [1,0,0,0,0,0|0,0,2]=3 8 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [1,0,0,0,0,0|0,0,0]=1 11 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,0,0|1,0,1]=3 12 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1N PI-50397 [0,1,0,0,0,0|0,0,0]=1 13 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O PI-50394 [0,1,0,0,0,0|0,0,0]=1 14 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 PI-29398 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N PI-50391 [0,1,0,0,0,0|0,0,0]=1 16 B14R2.68 C1C(COC(O1)C2=CC=CC=C2)O PI-42270 [0,0,0,1,0,0|1,0,2]=4 17 B14R2.68 C1C(COC(O1)C2=CC=CC=C2)O PI-46928 [0,0,0,1,0,0|1,0,2]=4 18 B14R2.68 CN1CCC(=CC1)c2ccccc2 PI-38937 [0,0,0,1,0,0|3,0,0]=4 19 B14R2.403 CC1(C)N=C(C2=CC=CC=C2)OC1 PI-47011 [0,0,0,1,0,0|1,0,0]=2 20 B14R2.403 CC1(COC(=N1)C2=CN=CC=C2)C PI-21258 [0,0,0,1,0,0|2,0,0]=3 21 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 PI-37737 [0,0,0,0,1,0|3,0,0]=4 22 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,0,0,0,1,0|3,0,0]=4 23 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,0,0,0,1,0|0,0,0]=1 24 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,0,0,0,1,0|1,0,2]=4 25 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,0,0,0,1,0|1,0,0]=2 26 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,0,0,0,1,0|1,0,0]=2 27 B14R1.420 CN(C)CCOC(=O)c1ccccc1 PI-32927 [0,0,0,0,0,1|1,0,0]=2 28 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 PI-19023 [0,0,0,0,0,1|0,0,0]=1 29 B14R1.423 CC(O)CNC(=S)Nc1ccccc1 PI-20858 [0,0,0,0,0,1|2,1,0]=4 30 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [2,0,0,0,0,0|0,0,2]=4 31 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [2,0,0,0,0,0|0,0,2]=4 32 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [2,0,0,0,0,0|0,0,2]=4 33 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [2,0,0,0,0,0|1,0,0]=3 38 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [2,0,0,0,0,0|1,0,0]=3 39 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [2,0,0,0,0,0|1,0,0]=3 40 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [2,0,0,0,0,0|1,0,1]=4 43 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.28 NCCOCc1ccccc1 PI-36880 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.28 OCCOCc1ccccc1 PI-24526 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)F PI-28473 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)O PI-19859 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.17 C1=CC(=CC=C1C(=O)NCCO)N PI-28631 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Br PI-26872 [1,1,0,0,0,0|1,0,0]=3 50 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl PI-12720 [1,1,0,0,0,0|1,0,0]=3 51 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O PI-12345 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.17 NCCNC(=O)c1ccc(cc1)Cl PI-30987 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N PI-50402 [1,1,0,0,0,0|0,0,2]=4 55 B13R1.674 CCCOC(=O)C1=CC=CC=C1O PI-50398 [1,1,0,0,0,0|0,0,0]=2 56 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.3523 CC(O)(C)COCC1=CC=CC=C1 PI-46611 [1,1,0,0,0,0|0,0,1]=3 59 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,1,0,0,1,0|1,0,1]=4 60 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,1,0,0,1,0|1,0,1]=4 61 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O PI-13839 [0,1,0,0,1,0|0,0,0]=2 62 B13R1.132 O=C(OC(C)C)C1=CC=C(N)C=C1 PI-19238 [0,1,0,0,1,0|0,0,0]=2 63 B13R1.147 CC(C)OC(=O)C1=CC(=CC=C1)N PI-50595 [0,1,0,0,1,0|0,0,0]=2 64 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,1,0,0,1,0|1,0,1]=4 65 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1O PI-19714 [0,1,0,0,1,0|1,0,0]=3 66 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1N PI-19239 [0,1,0,0,1,0|0,0,0]=2 67 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 PI-22878 [0,1,0,0,1,0|1,0,0]=3 68 B15R1.3675 CC(C(=O)CC(=O)Nc1ccccc1)C PI-37702 [0,1,0,0,0,1|1,0,1]=4 69 B15R1.86 CC(C)COC(=O)C1=CC=CC=C1NC PI-35670 [0,2,0,0,0,0|0,0,0]=2 70 B15R1.652 CCN(CC)CCC(=O)C1=CC=CC=C1 PI-34630 [0,2,0,0,0,0|2,0,0]=4 71 B13R2.371 CC1CCC(=O)C2=CC=CC=C12 PI-17609 [1,0,0,1,0,0|1,0,0]=3 72 B13R2.5252 C1CC(=O)C2=CC=CC=C2NC1 PI-24047 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.5252 O=C1CCCCc2c1cccc2 PI-38859 [1,0,0,1,0,0|1,0,0]=3 74 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 PI-10361 [1,0,0,1,0,0|1,0,1]=4 75 B13R2.2382 O(Cc1ccccc1)CC2OC2 PI-35223 [1,0,0,1,0,0|1,0,1]=4 76 B13R2.2382 c1ccc(COC[C@H]2OC2)cc1 PI-16665 [1,0,0,1,0,0|1,0,1]=4 77 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,0,0,1,1,0|1,0,1]=4 78 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,0,0,1,1,0|1,0,1]=4 79 B13R2.12159 B1(C2=CC=CC=C2C(O1)(C)C)O PI-49003 [0,0,0,1,1,0|1,0,1]=4 80 B15R2.467 CC1(C)COB(OC1)c2ccccc2 PI-39339 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [1,0,0,0,1,0|1,0,0]=3 82 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,1,0|1,0,1]=4 83 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,0,0,0,1,0|2,0,0]=4 84 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,1,0|1,0,1]=4 85 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,1,0|1,0,1]=4 86 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,0,0,0,2,0|2,0,0]=4 87 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,0,0,0,2,0|1,0,0]=3 88 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [0,0,0,0,2,0|1,0,1]=4 89 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [1,0,0,0,0,1|0,0,2]=4