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 C1=C2C(=NC(=C1)C)C(=CC=C2)O PI-33671 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.162 C1=CC2=C(C(=C1)O)N=C(C=C2)N PI-24571 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 PI-28179 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [1,0,0,0,0,0|1,1,1]=4 5 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.162 C1=CC2=CC=CC(=C2N=C1C)N PI-29287 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.162 CC1=C2C(=CC=C1)C=CC(=N2)C PI-11772 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.162 CC1=CC2=C(C=CC=C2C=C1)C PI-18703 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 CC1=NC2=C(C=CC=C2Cl)C=C1 PI-16458 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.162 Cc1ccc2cccc(Br)c2n1 PI-36505 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [1,0,0,0,0,0|1,0,1]=3 22 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)F)I PI-48867 [1,0,0,0,0,0|1,0,1]=3 24 B13R2.5179 C1=CC2=CC(=CN=C2C(=C1)N)Br PI-48534 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,0,0,0,1,0|0,1,1]=3 29 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,0,0,0,1,0|0,1,1]=3 30 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,0,0,0,1,0|0,0,1]=2 31 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,0,0,0,1,0|0,1,1]=3 32 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [0,0,0,0,1,0|1,1,1]=4 33 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [0,0,0,0,1,0|1,0,1]=3 34 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [0,0,0,0,1,0|1,1,1]=4 35 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O PI-21212 [1,0,1,0,0,0|1,0,1]=4 36 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 37 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [1,0,1,0,0,0|1,1,0]=4 43 B12R1.226 C1=CC(=CC(=C1)F)C=CC(=O)O PI-31202 [1,0,1,0,0,0|1,0,0]=3 44 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O PI-11521 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [1,0,1,0,0,0|2,0,0]=4 46 B12R1.226 OC(=O)\C=C\c1cccc(c1)Br PI-20686 [1,0,1,0,0,0|1,1,0]=4 47 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F PI-30548 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F PI-13376 [1,0,1,0,0,0|2,0,0]=4 50 B12R1.1009 CC(=O)NC1=C(C=CC=C1F)F PI-34150 [1,0,1,0,0,0|1,0,1]=4 51 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [2,0,0,0,0,0|1,0,1]=4 55 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [2,0,0,0,0,0|0,0,1]=3 56 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [2,0,0,0,0,0|1,0,1]=4 57 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [2,0,0,0,0,0|0,1,0]=3 59 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|0,0,2]=4 70 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [2,0,0,0,0,0|1,0,1]=4 71 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [2,0,0,0,0,0|0,0,2]=4 74 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [2,0,0,0,0,0|1,1,0]=4 76 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [2,0,0,0,0,0|1,1,0]=4 77 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 PI-14517 [2,0,0,0,0,0|0,1,1]=4 78 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [2,0,0,0,0,0|0,1,1]=4 79 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 PI-12049 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-33667 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-37979 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [2,0,0,0,0,0|1,1,0]=4 86 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [2,0,0,0,0,0|1,0,0]=3 87 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [2,0,0,0,0,0|1,1,0]=4 88 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [2,0,0,0,0,0|1,0,1]=4 89 B12R2.1081 [O-]c1cccc2c1nccc2 PI-33666 [2,0,0,0,0,0|1,0,1]=4 90 B12R2.1081 [O-]c1cccc2c1nccc2 PI-38357 [2,0,0,0,0,0|1,0,1]=4 91 B14R1.5971 O=C(O)C(NC1=C(C)C=CC=C1C)=O PI-41643 [0,1,1,0,0,0|2,0,0]=4 92 B14R2.142 C1=CC2=C(C(=C1)O)N=C(C=C2)C=O PI-29143 [1,1,0,0,0,0|1,0,1]=4 93 B14R2.4513 C1=CC(=CC2=C1C=CC(=C2F)F)O PI-34367 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.8045 C1=CC2=C(C(=C1)Br)NC(=O)OC2=O PI-40283 [1,1,0,0,0,0|1,1,0]=4 96 B14R2.8045 C1=CC2=C(C(=C1)Cl)NC(=O)OC2=O PI-40282 [1,1,0,0,0,0|1,1,0]=4 97 B14R2.8045 C1C(=O)C2=C(C(=CC=C2)F)NC1=O PI-36208 [1,1,0,0,0,0|0,0,1]=3 98 B14R2.8045 CC1=C2C(=CC=C1)C(=O)C=C(N2)C PI-29160 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.8045 CC1=C2C(=CC=C1)C(=O)OC(=O)N2 PI-18804 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Cl PI-29279 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.8045 O=c1[nH]c2c(F)cccc2c(=O)[nH]1 PI-36139 [1,1,0,0,0,0|1,0,0]=3 102 B14R2.8045 O=c1[nH]c2c(I)cccc2c(=O)[nH]1 PI-36164 [1,1,0,0,0,0|1,1,0]=4 103 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [1,1,0,0,0,0|1,0,0]=3 105 B14R2.1801 C1=CC2=CC(=CN=C2C(=C1)F)C#N PI-48868 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)O PI-18360 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.29369 C1=CC2=C(C=CC(=C2F)F)C=C1O PI-34366 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.8620 C1=CC(=C2C(=C1Cl)C(=O)C(=O)N2)Cl PI-28235 [0,1,0,0,1,0|0,1,1]=4 109 B14R2.8620 C1=CC(=C2C(=C1F)C(=O)C(=O)N2)Br PI-42961 [0,1,0,0,1,0|0,1,1]=4 110 B14R2.8620 CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2 PI-11532 [0,1,0,0,1,0|1,0,1]=4 111 B14R2.8620 CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2 PI-34469 [0,1,0,0,1,0|1,0,1]=4 112 B14R2.8620 CC1=C2C(=C(C=C1)F)C(=O)C(=O)N2 PI-34493 [0,1,0,0,1,0|1,0,1]=4 113 B14R2.8620 CC1=C2C(=C(C=C1)F)NC(=O)C2=O PI-34497 [0,1,0,0,1,0|0,0,1]=3 114 B14R2.8737 CC1=C(C2=C(C=C1)C(=O)C(=O)N2)F PI-34499 [0,1,0,0,1,0|0,0,1]=3 115 B14R2.8737 CC1=C(C2=C(C=C1)C(=O)C(=O)N2)F PI-35157 [0,1,0,0,1,0|0,0,1]=3 116 B14R2.8737 CC1=C(C=CC2=C1NC(=O)C2=O)F PI-34470 [0,1,0,0,1,0|1,0,1]=4 117 B14R2.9184 CC1=CC(=CC2=C1NC(=O)C2=O)Cl PI-11533 [0,1,0,0,1,0|1,0,1]=4 118 B14R2.9184 CC1=CC2=C(C(=C1)F)NC(=O)C2=O PI-34498 [0,1,0,0,1,0|0,0,1]=3 119 B14R2.9184 ClC1=CC(Cl)=C2NC(=O)C(=O)C2=C1 PI-28708 [0,1,0,0,1,0|0,1,1]=4 120 B14R2.9184 O=C1NC2=C(C=C(Br)C=C2Br)C1=O PI-40285 [0,1,0,0,1,0|0,1,1]=4 121 B14R2.9184 O=C1NC2=C(C=C(F)C=C2C)C1=O PI-34495 [0,1,0,0,1,0|1,0,1]=4 122 B14R2.11645 CCc1cccc2C(=O)C(=O)Nc12 PI-28927 [0,1,0,0,1,0|1,0,1]=4 123 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O PI-44590 [0,1,0,0,1,0|1,0,1]=4 124 B14R2.27750 Fc1cc2NC(=O)C(=O)c2c(F)c1 PI-35978 [0,1,0,0,1,0|1,0,1]=4 125 B14R2.4529 C1=CC2=C(C=C1Br)C=C(O2)C(=O)O PI-17688 [0,0,1,1,0,0|1,1,0]=4 126 B14R2.4529 C1=CC2=C(C=C1Cl)C=C(O2)C(=O)O PI-23140 [0,0,1,1,0,0|1,1,0]=4 127 B14R2.4529 CC(=O)C1=CC2=C(O1)C=CC(=C2)Br PI-17063 [0,0,1,1,0,0|1,1,0]=4 128 B14R2.4529 Fc1ccc2[nH]c(cc2c1)C(=O)O PI-21782 [0,0,1,1,0,0|2,0,0]=4 129 B14R2.4529 O=C(C1=CC2=CC(N)=CC=C2O1)O PI-42299 [0,0,1,1,0,0|2,0,0]=4 130 B14R2.7969 CC(=O)C1=CC2=C(O1)C(=CC=C2)O PI-26616 [0,0,1,1,0,0|2,0,0]=4 131 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [1,0,0,0,1,0|1,0,0]=3 132 B12R2.202 C1=CC(=C2C(=C1)SC(=S)N2)F PI-45334 [1,0,0,0,1,0|1,1,0]=4 133 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [1,0,0,0,1,0|0,1,1]=4 134 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [1,0,0,0,1,0|2,0,0]=4 135 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [1,0,0,0,1,0|0,0,1]=3 136 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [1,0,0,0,1,0|0,0,2]=4 137 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,1,0|2,0,0]=4 138 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,1,0|0,0,1]=3