0 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O A15393 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 c1cc2c(cc1Cl)[nH]c(=O)c(=O)[nH]2 L14038 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.155 Cc1ccc2ccc(cc2c1)C B21704 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.155 c1cc(cc2c1ccc(=O)o2)O L04082 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br H56097 [1,0,0,0,0,0|2,1,0]=4 5 B13R2.155 c1cc(cc2c1ccc(c2)O)O A10229 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 H27493 [1,0,0,0,0,0|1,1,1]=4 7 B13R2.155 c1cc2c(cc1Br)NC(=O)CS2 H61077 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 H27485 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 Cc1c(=O)[nH]c2ccccc2n1 H51733 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.369 Cc1cc2ccccc2cc1C L08386 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.369 Cc1cc2ccccc2nc1Cl H50492 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.369 c1ccc2c(c1)nc(c(n2)O)O L07581 [1,0,0,0,0,0|1,0,2]=4 17 B13R2.369 c1ccc2cc(c(cc2c1)N)N A12993 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [1,0,0,0,0,0|1,0,1]=3 20 B13R2.3683 Cc1ccc2cc(ccc2n1)O A18846 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br L16134 [1,0,0,0,0,0|2,1,0]=4 22 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O A18535 [1,0,0,0,0,0|1,1,0]=3 23 B13R2.3683 c1cc(cc2c1cc(cc2)O)O B21465 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.3683 c1cc(nc2c1cc(cc2)Br)Cl H54895 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.3683 c1cc(nc2c1cc(cn2)Br)Cl H50043 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.3028 Cc1c2cc(ccc2sc1Br)Cl B20250 [0,0,0,0,1,0|3,0,0]=4 27 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 L08009 [0,0,0,0,1,0|2,0,1]=4 28 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 A13641 [0,0,0,0,1,0|1,1,1]=4 29 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 A13125 [0,0,0,0,1,0|1,0,1]=3 30 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 B20831 [0,0,0,0,1,0|1,1,1]=4 31 B13R2.3028 c1cc2c(cc1I)C(=O)C(=O)N2 A14988 [0,0,0,0,1,0|1,1,1]=4 32 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [1,0,1,0,0,0|1,0,0]=3 33 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A13337 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.21 c1cc(ccc1\C=C\C(=O)N)Cl L11406 [1,0,1,0,0,0|0,0,0]=2 36 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A11503 [1,0,1,0,0,0|1,1,0]=4 37 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A15304 [1,0,1,0,0,0|1,0,0]=3 38 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [1,0,1,0,0,0|1,1,0]=4 39 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O A15167 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A13416 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F H26443 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O A11791 [1,0,1,0,0,0|1,0,1]=4 45 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O H26512 [1,0,1,0,0,0|1,0,1]=4 46 B12R2.24 Cc1cc2ccccc2nc1 A13109 [2,0,0,0,0,0|1,0,1]=4 47 B12R2.24 Cc1ccc2ccccc2c1 L02459 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.24 Cc1ccc2ccccc2n1 A13412 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.24 Cc1ccc2cccnc2c1 42475 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 c1cc(=O)[nH]c2c1cncc2 H50121 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.24 c1cc(cc2c1ccnc2)O L17067 [2,0,0,0,0,0|2,0,0]=4 52 B12R2.24 c1cc2cc(ccc2nc1)Cl L20164 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 c1cc2ccc(cc2nc1)Br H63987 [2,0,0,0,0,0|0,1,1]=4 54 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [2,0,0,0,0,0|0,0,2]=4 55 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [2,0,0,0,0,0|1,0,1]=4 57 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [2,0,0,0,0,0|1,0,1]=4 58 B12R2.24 c1ccc2c(c1)cc(cn2)Br A14573 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.24 c1ccc2c(c1)cc(cn2)N A16592 [2,0,0,0,0,0|1,0,1]=4 60 B12R2.24 c1ccc2c(c1)cc(cn2)[Zn+] H58426 [2,0,0,0,0,0|1,0,1]=4 61 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [2,0,0,0,0,0|1,0,0]=3 62 B12R2.24 c1ccc2c(c1)ccc(n2)Br H27302 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 c1ccc2c(c1)ccc(n2)Cl B23443 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [2,0,0,0,0,0|0,0,2]=4 65 B12R2.24 c1ccc2c(c1)ccc(n2)S H55749 [2,0,0,0,0,0|0,1,1]=4 66 B12R2.24 c1ccc2cc(ccc2c1)Br A15300 [2,0,0,0,0,0|1,1,0]=4 67 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.24 c1ccc2cc(ccc2c1)[Mg+] H51160 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [2,0,0,0,0,0|2,0,0]=4 70 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N A15017 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O A10337 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.1128 c1ccc2c(c1)[nH]c(=O)c(n2)CBr H27169 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [1,1,0,0,0,0|0,0,1]=3 75 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.2332 COc1ccc2cc(ccc2c1)Br A19450 [1,1,0,0,0,0|1,1,0]=4 77 B14R2.2332 COc1ccc2cc(ccc2c1)[Mg+] H54076 [1,1,0,0,0,0|2,0,0]=4 78 B14R2.9184 Cc1cc(cc2c1NC(=O)C2=O)Cl L11682 [0,1,0,0,1,0|1,0,1]=4 79 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Cl H66864 [0,0,1,1,0,0|2,0,0]=4 80 B14R2.8620 c1cc(c2c(c1Cl)C(=O)C(=O)N2)Cl A14853 [0,0,1,1,0,0|1,0,1]=4 81 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,0,1,0,1,0|1,0,1]=4 82 B12R2.132 Cc1csc2c1cc(cc2)Cl A11827 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [1,0,0,0,1,0|0,1,1]=4 84 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [1,0,0,0,1,0|0,0,1]=3 86 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [1,0,0,0,1,0|1,0,0]=3 87 B12R2.18 CC1c2ccccc2NC1=O H27662 [1,0,0,0,1,0|1,0,1]=4 88 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [1,0,0,0,1,0|0,0,1]=3