0 B14R2.8239 O=c1ccc2c(o1)cc(c(c2)O)O PI-11466 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.155 BrC1=CC2=CC(=CC=C2C=C1)Br PI-40219 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.155 Brc1cc2NC(=O)COc2cc1 PI-38345 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.155 C1=CC(=CC2=C1C=CC(=N2)Cl)Br PI-48167 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.155 C1C(=O)NC2=C(O1)C=CC(=C2)Cl PI-23153 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.155 C1CC(=O)NC2=C1C=CC(=C2)O PI-10242 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.155 CC1=CC2=C(C=C1)C=CC(=N2)C PI-29979 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.155 CC1=NC2=CC(F)=CC=C2C=C1 PI-28060 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.155 Cc1ccc2c(c1)cc(cc2)C PI-23889 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.155 Oc1ccc2ccc(O)nc2c1 PI-13540 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.155 SC1=CC=C2C=CC(S)=CC2=C1 PI-18854 [1,0,0,0,0,0|2,1,0]=4 14 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [1,0,0,0,0,0|1,0,1]=3 23 B13R2.3683 BrC1=CC2=CC=C(Br)C=C2C=C1 PI-37059 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.3683 CC1=CC2=C(C=C1)N=C(C=C2)Br PI-35456 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N PI-30830 [1,0,0,0,0,0|3,0,0]=4 28 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)O PI-29761 [1,0,0,0,0,0|2,0,0]=3 29 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.3683 Cc1ccc2cc(Br)ccc2n1 PI-14483 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.3683 Fc1ccc2nc(C)ccc2c1 PI-28059 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [1,0,0,0,0,0|2,0,0]=3 38 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [1,0,0,0,0,0|2,0,0]=3 39 B15R2.1754 O=Cc1cc2ccc(cc2nc1Cl)C PI-28753 [0,1,0,0,0,0|1,0,2]=4 40 B15R2.1824 O=Cc1cc2cc(C)ccc2nc1Cl PI-15411 [0,1,0,0,0,0|3,0,0]=4 41 B15R2.62227 Oc1cc2cc(O)c(cc2cc1Br)Br PI-40582 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.63893 Oc1ccc2c(c1)oc(=O)c(c2C)Cl PI-19770 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.133 CC(=CC1=CC=C(C=C1)F)C(=O)O PI-36345 [0,0,1,0,0,0|3,0,0]=4 44 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,0,0,0,1,0|2,0,1]=4 45 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,0,0,0,1,0|2,0,1]=4 46 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,0,0,0,1,0|1,0,1]=3 47 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,0,0,0,1,0|2,0,1]=4 48 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,0,0,0,1,0|2,0,1]=4 49 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [0,0,0,0,1,0|1,0,1]=3 50 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [0,0,0,0,1,0|1,0,1]=3 51 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,0,0,0,1,0|1,0,1]=3 52 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [0,0,0,0,1,0|1,0,1]=3 53 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F PI-31203 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O PI-11519 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O PI-11523 [1,0,1,0,0,0|1,0,0]=3 57 B12R1.21 Cc1ccc(\C=C\[N+](=O)[O-])cc1 PI-24460 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.21 OC(=O)\C=C\c1ccc(N)cc1 PI-28305 [1,0,1,0,0,0|2,0,0]=4 59 B12R1.21 OC(=O)\C=C\c1ccc(cc1)Cl PI-11979 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.21 OC(=O)\C=C\c1ccc(cc1)O PI-20417 [1,0,1,0,0,0|2,0,0]=4 61 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 62 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [1,0,1,0,0,0|1,0,1]=4 66 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [1,0,1,0,0,0|2,0,0]=4 67 B12R1.226 CC1=CC(=CC=C1)C=CC(=O)O PI-30448 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [1,0,1,0,0,0|1,0,1]=4 69 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [1,0,1,0,0,0|1,0,1]=4 70 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [1,0,1,0,0,0|1,0,1]=4 71 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [2,0,0,0,0,0|0,0,1]=3 77 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [2,0,0,0,0,0|0,1,0]=3 80 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [2,0,0,0,0,0|1,0,0]=3 81 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [2,0,0,0,0,0|1,0,1]=4 86 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [2,0,0,0,0,0|1,0,1]=4 91 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [2,0,0,0,0,0|0,0,2]=4 92 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [2,0,0,0,0,0|1,0,1]=4 93 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [2,0,0,0,0,0|2,0,0]=4 94 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [2,0,0,0,0,0|1,0,1]=4 95 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [2,0,0,0,0,0|0,0,2]=4 96 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [2,0,0,0,0,0|1,1,0]=4 98 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)N PI-16317 [0,1,1,0,0,0|1,1,0]=4 99 B14R1.536 CC1=CC=C(C=C1)C=C(C#N)C(=O)O PI-20308 [0,1,1,0,0,0|2,0,0]=4 100 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 PI-20386 [1,1,0,0,0,0|1,0,0]=3 101 B14R2.134 COc1ccc2ccc(O)cc2c1 PI-18595 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.29365 C1=CC2=C(C=C1Cl)NC(=O)OC2=O PI-18532 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(=C2)N PI-35669 [1,1,0,0,0,0|1,0,0]=3 105 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(=C2)O PI-32646 [1,1,0,0,0,0|2,0,0]=4 106 B14R2.29365 CC1=CC2=C(C=C1)C(=O)NC(=O)N2 PI-36221 [1,1,0,0,0,0|1,0,0]=3 107 B14R2.29365 CC1=CC2=C(C=C1)C(=O)NC(=O)O2 PI-47792 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.29365 Clc1ccc2c(c1)[nH]c(=O)[nH]c2=O PI-36141 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.29365 Fc1ccc2c(c1)[nH]c(=O)[nH]c2=O PI-36137 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.29365 Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O PI-36043 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.29365 Nc1ccc2c(c1)oc(=O)cc2C PI-10241 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.29365 O=C1NC2=C(C=CC(O)=C2)C(C)=C1 PI-37142 [1,1,0,0,0,0|1,0,0]=3 113 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [1,1,0,0,0,0|1,0,0]=3 115 B14R2.2332 CCC1=CC2=C(C=C1)C=C(C=C2)O PI-28151 [1,1,0,0,0,0|1,0,0]=3 116 B14R2.2332 COc1ccc2c(c1)ccc(c2)O PI-18603 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.2332 COc1ccc2cc(Br)ccc2c1 PI-10302 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.2332 COc1ccc2nc(C)ccc2c1 PI-16514 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.2332 N#Cc1ccc2c(c1)ccc(c2)O PI-18633 [1,1,0,0,0,0|1,0,1]=4 120 B14R2.2332 O=Cc1ccc2c(c1)ccc(c2)O PI-28822 [1,1,0,0,0,0|1,0,1]=4 121 B14R2.29369 Brc1ccc2c(c1)ccc(c2Br)O PI-18231 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.29369 C1=CC2=C(C=CC(=C2F)F)C=C1O PI-34366 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.645 CC1=CC2=C(C=C1F)NC(=O)C2=O PI-34496 [0,1,0,0,1,0|1,0,1]=4 124 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O PI-29557 [0,1,0,0,1,0|1,0,1]=4 125 B14R2.4506 CC1=C(C2=C(C=C1)NC(=O)C2=O)Br PI-11531 [0,1,0,0,1,0|1,0,1]=4 126 B14R2.9184 CC1=CC2=C(C(=C1)F)NC(=O)C2=O PI-34498 [0,1,0,0,1,0|1,0,1]=4 127 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O PI-35970 [0,1,0,0,1,0|0,0,1]=3 128 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]=3 129 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]=3 130 B14R2.8737 CC1=C(C=CC2=C1NC(=O)C2=O)F PI-34470 [0,1,0,0,1,0|1,0,1]=4 131 B14R2.27750 Fc1cc2NC(=O)C(=O)c2c(F)c1 PI-35978 [0,1,0,0,1,0|1,0,1]=4 132 B16R2.23520 OC(=O)C1=CC2=CC=C(O)C=C2OC1=O PI-41282 [0,2,0,0,0,0|2,0,0]=4 133 B16R2.37660 COC1=CC2=C(C=C1)C=C(C(=S)N2)C#N PI-25068 [0,2,0,0,0,0|1,1,0]=4 134 B16R2.23521 C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)Br PI-46887 [0,2,0,0,0,0|2,0,0]=4 135 B16R2.23521 Oc1ccc2cc(O)c(cc2c1)C(=O)O PI-25864 [0,2,0,0,0,0|2,0,0]=4 136 B14R2.7969 CC1=C2C(=CC=C1)NC(=N2)C(=O)O PI-34760 [0,0,1,1,0,0|2,0,0]=4 137 B14R2.7969 OC(=O)c1cc2c(C)cccc2[nH]1 PI-22816 [0,0,1,1,0,0|2,0,0]=4 138 B14R2.8620 CC1=C2C(=C(C=C1)F)NC(=O)C2=O PI-34497 [0,0,1,1,0,0|1,0,1]=4 139 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)N2 PI-45071 [1,0,0,0,1,0|2,0,0]=4 140 B12R2.606 C1=CC2=C(C=C1Br)NC(=O)S2 PI-45345 [1,0,0,0,1,0|2,0,0]=4 141 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)S2 PI-12815 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.606 C1=CC2=C(C=C1F)NC(=O)S2 PI-45348 [1,0,0,0,1,0|2,0,0]=4 143 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 PI-28900 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.606 C1C2=C(C=C(C=C2)F)NC1=O PI-22722 [1,0,0,0,1,0|1,0,1]=4 145 B12R2.606 C1C2=C(C=C(C=C2)I)NC1=O PI-48996 [1,0,0,0,1,0|1,0,1]=4 146 B12R2.606 CC1=CC2=C(C=C1)N=C(N2)C PI-45227 [1,0,0,0,1,0|2,0,0]=4 147 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 PI-45351 [1,0,0,0,1,0|2,0,0]=4 148 B12R2.606 CC1=CC2=C(C=C1)NC(=S)N2 PI-11853 [1,0,0,0,1,0|1,1,0]=4 149 B12R2.606 CC1=CC2=C(C=C1)SC(=S)N2 PI-45342 [1,0,0,0,1,0|1,1,0]=4 150 B12R2.606 CC=1NC2=C(C1)C=CC(=C2)Br PI-46796 [1,0,0,0,1,0|2,0,0]=4 151 B12R2.606 O=C1Cc2c(N1)cc(cc2)Br PI-14491 [1,0,0,0,1,0|1,0,1]=4 152 B12R2.606 O=C1Cc2ccc(Cl)cc2N1 PI-10012 [1,0,0,0,1,0|1,0,1]=4 153 B12R2.606 O=C1NC2=CC(F)=CC=C2N1 PI-46692 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [1,0,0,0,1,0|2,0,0]=4 155 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [1,0,0,0,1,0|0,0,1]=3