0 B14R2.28472 CC1=C2C=C(C(=CC2=CC=C1)C)C PI-18357 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.162 Brc1ccc2c(c1)c(Cl)ncc2 PI-17772 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [1,0,0,0,0,0|1,1,0]=3 3 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.162 C1=CC2=NC=CC(=C2C=C1Br)Cl PI-46542 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 Fc1ccc2c(c1)c(Cl)ccn2 PI-20115 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.5179 C1CC(=O)NC2=C1C(=CC=C2)O PI-42918 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 PI-37296 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.5179 CC1=NC2=C(C=C1)C(=CC=C2)Cl PI-33672 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NC=C1 PI-46698 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.5179 Clc1ccc2c(c1)nccc2Cl PI-16432 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.40 C1=CC(=C(C(=C1)Cl)Cl)NC(=O)CCl PI-21064 [0,0,1,0,0,0|2,0,1]=4 30 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,0,0,0,1,0|1,1,1]=4 31 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,0,0,0,1,0|1,0,1]=3 32 B13R2.4825 O=C1C(C)CC2=C1C=CC=C2Cl PI-40272 [0,0,0,0,1,0|1,0,2]=4 33 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,0,0,0,1,0|1,1,1]=4 34 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,0,0,0,1,0|1,1,1]=4 35 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [0,0,0,0,1,0|0,1,1]=3 36 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [0,0,0,0,1,0|0,1,1]=3 37 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [0,0,0,0,1,0|0,1,1]=3 38 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [1,0,1,0,0,0|1,0,1]=4 43 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [1,0,1,0,0,0|1,0,0]=3 46 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [1,0,1,0,0,0|1,0,0]=3 47 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [1,0,1,0,0,0|1,1,0]=4 48 B12R1.125 C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl PI-30466 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl PI-21063 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F PI-30548 [1,0,1,0,0,0|1,0,1]=4 53 B12R1.1631 C1=CC(=C(C(=C1)F)C=CC=O)F PI-10639 [1,0,1,0,0,0|1,1,0]=4 54 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [2,0,0,0,0,0|0,0,1]=3 59 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [2,0,0,0,0,0|0,1,0]=3 62 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [2,0,0,0,0,0|1,0,0]=3 63 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [2,0,0,0,0,0|1,0,1]=4 72 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|0,0,2]=4 73 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [2,0,0,0,0,0|0,0,2]=4 77 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [2,0,0,0,0,0|1,1,0]=4 79 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [2,0,0,0,0,0|1,1,0]=4 80 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [2,0,0,0,0,0|0,1,1]=4 82 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [2,0,0,0,0,0|0,1,1]=4 84 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [2,0,0,0,0,0|2,0,0]=4 86 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [2,0,0,0,0,0|0,0,1]=3 88 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [2,0,0,0,0,0|1,0,0]=3 89 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [2,0,0,0,0,0|1,1,0]=4 90 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [2,0,0,0,0,0|1,1,0]=4 91 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [2,0,0,0,0,0|1,0,1]=4 93 B14R2.142 COc1ccc2nccc(Cl)c2c1 PI-25007 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.4513 C1=CC(=CC2=C1C=CC(=C2F)F)O PI-34367 [1,1,0,0,0,0|1,1,0]=4 95 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [1,1,0,0,0,0|1,0,0]=3 97 B14R2.28480 C1=CC2=C(C(=C1)F)C(=O)NC(=O)N2 PI-36207 [1,1,0,0,0,0|1,1,0]=4 98 B14R2.28480 O=c1[nH]c2cccc(Br)c2c(=O)[nH]1 PI-36084 [1,1,0,0,0,0|1,1,0]=4 99 B14R2.8620 C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl PI-28235 [0,1,0,0,1,0|1,0,1]=4 100 B14R2.9184 ClC1=CC(Cl)=C2NC(=O)C(=O)C2=C1 PI-28708 [0,1,0,0,1,0|1,0,1]=4 101 B14R2.4506 CC1=C(C2=C(C=C1)NC(=O)C2=O)Br PI-11531 [0,1,0,0,1,0|0,1,1]=4 102 B14R2.4506 O=C1NC2=C(C(Cl)=C(F)C=C2)C1=O PI-39891 [0,1,0,0,1,0|0,0,1]=3 103 B14R2.27750 Fc1cc2NC(=O)C(=O)c2c(F)c1 PI-35978 [0,1,0,0,1,0|0,1,1]=4 104 B14R2.4529 Clc1ccc2c(c1)[nH]c(c2)C(=O)O PI-10009 [0,0,1,1,0,0|2,0,0]=4 105 B14R2.781 O=C(N)C1=CC=C2C=CC=CC2=C1 PI-18356 [0,0,1,1,0,0|2,0,0]=4 106 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,0,1,0,1,0|1,0,1]=4 107 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,0,1,0,1,0|1,0,1]=4 108 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,0,1,0,1,0|1,0,1]=4 109 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [1,0,0,0,1,0|1,0,1]=4 110 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=S)N2 PI-45332 [1,0,0,0,1,0|1,1,0]=4 111 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [1,0,0,0,1,0|2,0,0]=4 112 B12R2.202 Oc1sc2c(n1)c(Cl)ccc2 PI-11976 [1,0,0,0,1,0|2,0,0]=4 113 B12R2.203 Cc1c[nH]c2c1c(Cl)ccn2 PI-39357 [1,0,0,0,1,0|2,0,0]=4 114 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,1,0|2,0,0]=4 115 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,1,0|0,0,1]=3 116 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [1,0,0,0,1,0|0,0,2]=4