0 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,0,0,0,0,0|1,0,0]=1 3 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [0,0,0,0,0,0|3,0,0]=3 5 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [0,0,0,0,0,0|2,0,0]=2 6 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,0,0,0,0,0|2,0,0]=2 8 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [0,0,0,0,0,0|2,0,0]=2 9 B16R2.12 NC(CN1C=CC2=C1N=CC=C2)C(=O)O Z360059800 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [0,0,0,0,0,0|2,0,1]=3 11 B16R2.12 NC(CN1CCC2=C1C=CC=C2)C(=O)O Z4327136236 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,0,0,0,0,0|1,0,0]=1 13 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,0,0,0,0,0|1,0,0]=1 14 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [1,0,0,0,0,0|0,0,2]=3 15 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 Z56939166 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [1,0,0,0,0,0|1,0,0]=2 18 B15R2.6 N=C(N)NCC1=CSC2=C1C=CC=C2 Z1090048388 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [1,0,0,0,0,0|0,0,0]=1 20 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [1,0,0,0,0,0|2,0,0]=3 21 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [1,0,0,0,0,0|1,0,0]=2 23 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [1,0,0,0,0,0|2,0,0]=3 24 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [1,0,0,0,0,0|3,0,0]=4 25 B17R2.7 CNC(=O)C(C)CN1C=CC2=C1C=CC=C2 Z2063902338 [0,1,0,0,0,0|3,0,0]=4 26 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 Z56921839 [0,1,0,0,0,0|1,0,0]=2 27 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=N2 Z4918299399 [0,1,0,0,0,0|2,0,0]=3 28 B17R2.7 COC(=O)C(N)CC1=COC2=C1C=CC=C2 Z2786042022 [0,1,0,0,0,0|2,0,0]=3 29 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 Z1536943518 [0,1,0,0,0,0|1,0,0]=2 30 B17R2.2473 O=S(=O)([O-])C(O)CC1=CNC2=C1C=CC=C2 Z1970017019 [0,1,0,0,0,0|3,0,0]=4 31 B17R2.3450 NC(CC1=CNC2=C1C=CC(=C2)F)C(=O)O Z1332305266 [0,1,0,0,0,0|1,0,0]=2 32 B17R2.5003 N[C@@H](CC1C(=O)NC2=C1C=CC=C2)C(=O)O Z4154843098 [0,1,0,0,0,0|1,0,1]=3 33 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [0,1,0,0,0,0|1,0,0]=2 34 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [0,1,0,0,0,0|1,0,0]=2 35 B17R2.37147 CC1=C2NC=C(C2=CC=C1)CC(N)C(=O)O Z1508920449 [0,1,0,0,0,0|1,0,0]=2 36 B17R2.37147 CC1=C2OC=C(C2=CC=C1)CC(N)C(=O)O Z3717373756 [0,1,0,0,0,0|2,0,0]=3 37 B17R2.37552 NC(CC1=CNC2=C1C(=CC=C2)Br)C(=O)O Z1508591890 [0,1,0,0,0,0|1,0,0]=2 38 B15R2.1255 O=C(O)C(=O)C1=CNC2=C1C=CC=C2 Z381360918 [0,0,0,0,1,0|2,0,1]=4 39 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [0,0,0,0,0,1|1,0,0]=2 40 B17R2.9167 CC(SC1=CC2=C(C=CC=C2)C=C1)C(=O)N Z17458457 [0,0,0,0,0,1|3,0,0]=4 41 B17R2.9167 CC(SC1=NC2=C(C=CC=C2)C=C1)C(=O)N Z19647056 [0,0,0,0,0,1|3,0,0]=4 42 B17R2.9167 NC(CC1=CC2=C(C=CC=C2)N=C1)C(=O)O Z3083125006 [0,0,0,0,0,1|1,0,1]=3 43 B17R2.9167 N[C@@H](CC1=CC2=C(C=CC=C2)C=C1)C(=O)O Z2695741431 [0,0,0,0,0,1|2,0,0]=3 44 B17R2.520754 CC(CC1=C2C=CC=CC2=CN=C1)C(=O)O Z2096659213 [0,0,0,0,0,1|2,0,1]=4 45 B17R2.520754 CC(NC1=C2C=CC=CC2=NC=N1)C(=O)N Z196146308 [0,0,0,0,0,1|2,0,1]=4 46 B17R2.520754 CC(SC1=C2C=CC=CC2=NC=N1)C(=O)N Z19315666 [0,0,0,0,0,1|2,0,1]=4 47 B17R2.520754 NC(CC1=C2C=CC=CC2=CC=N1)C(=O)O Z5620690588 [0,0,0,0,0,1|2,0,0]=3 48 B17R2.520754 N[C@@H](CC1=C2C=CC=CC2=CC=C1)C(=O)O Z995228046 [0,0,0,0,0,1|2,0,0]=3 49 B17R2.520754 O=C(O)C(O)CC1=C2C=CC=CC2=CC=C1 Z1269030425 [0,0,0,0,0,1|3,0,0]=4 50 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O Z1459947400 [1,0,1,0,0,0|2,0,0]=4 51 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [1,0,1,0,0,0|2,0,0]=4 52 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [2,0,0,0,0,0|1,0,1]=4 53 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [2,0,0,0,0,0|0,0,1]=3 54 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [2,0,0,0,0,0|1,0,1]=4 55 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [2,0,0,0,0,0|0,0,1]=3 56 B16R2.33556 CCC(N)CC1=CN(C2=C1C=CC=C2)C Z2719882774 [1,1,0,0,0,0|1,0,1]=4 57 B16R2.14 CNC(=O)CCC1=CNC2=C1C=CC=C2 Z32016249 [1,1,0,0,0,0|0,0,0]=2 58 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 Z13758675 [1,1,0,0,0,0|1,0,0]=3 59 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 Z275127490 [1,1,0,0,0,0|1,0,0]=3 60 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z1272912333 [1,1,0,0,0,0|1,0,0]=3 61 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(=C2)Cl Z1509536927 [1,1,0,0,0,0|1,0,0]=3 62 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [1,1,0,0,0,0|1,0,0]=3 63 B16R2.4003 CC1=NC2=C(N1CCC(=O)N)C=CC=C2 Z53116498 [1,1,0,0,0,0|1,0,1]=4 64 B16R2.4003 NC(=O)N/N=C\1/C(=O)NC2=C1C=CC=C2 Z49560581 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [1,1,0,0,0,0|1,0,1]=4 66 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [1,1,0,0,0,0|1,0,0]=3 67 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [1,1,0,0,0,0|1,0,0]=3 68 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O Z1251197519 [1,1,0,0,0,0|1,0,0]=3 69 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O Z1316679515 [1,1,0,0,0,0|1,0,0]=3 70 B16R2.22904 O=C(O)CCC1=CNC2=C1C(=CC=C2)Br Z1509573127 [1,1,0,0,0,0|1,0,0]=3 71 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O Z335290460 [1,1,0,0,0,0|1,0,0]=3 72 B16R2.104521 CC(C(=O)O)C1=CN(C2=C1C=CC=C2)C Z1508922062 [0,1,0,0,1,0|2,0,0]=4 73 B18R2.14822 CC(OC(=O)C1=CNC2=C1C=CC=C2)C(=O)N Z88097195 [0,1,0,0,0,1|1,0,1]=4 74 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)C=C1 Z208192100 [0,1,0,0,0,1|2,0,0]=4 75 B18R2.30019 COC(=O)C(N)CC1=CC2=C(C=CC=C2)N=C1 Z3398294729 [0,1,0,0,0,1|1,0,1]=4 76 B18R2.904449 COC(=O)C(N)CC1=C2C=CC=CC2=CC=N1 Z5614989226 [0,1,0,0,0,1|2,0,0]=4 77 B18R2.126667 COC(=O)C(N)CC1=CNC2=C1C=CC(=C2)F Z1341564381 [0,2,0,0,0,0|1,0,0]=3 78 B18R2.910620 COC(=O)C(N)CC1=CNC2=C1C(=CC=C2)Br Z1526503322 [0,2,0,0,0,0|1,0,0]=3 79 B18R2.910661 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)Br Z1271802586 [0,2,0,0,0,0|1,0,0]=3 80 B18R2.60850 CC1=C(C2=C(N1)C=CC=C2)CC(F)(F)C(=O)O Z2751565912 [0,2,0,0,0,0|2,0,0]=4 81 B16R2.6284 NC(=O)C(N)C1=CC2=C(C=CC=C2)C=C1 Z477338152 [0,0,1,1,0,0|1,0,1]=4 82 B18R3.7353 NC(=O)C1CC1C2=C3C=CC=CC3=CC=C2 Z1151517055 [0,0,0,1,0,1|2,0,0]=4 83 B18R3.115616 O=C(O)C1CC2=C(CN1)NC3=C2C=CC=C3 Z56762879 [0,1,0,1,0,0|1,0,0]=3 84 B18R3.115616 O=C(O)[C@@H]1CC2=C(CN1)NC3=C2C=CC=C3 Z1508915935 [0,1,0,1,0,0|1,0,0]=3 85 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [1,0,0,0,0,1|1,0,0]=3 86 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [1,0,0,0,0,1|1,0,0]=3 87 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [1,0,0,0,0,1|1,0,0]=3 88 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 Z370714626 [1,0,0,0,0,1|2,0,0]=4 89 B16R2.36 O=C(O)CCCC1=NNC2=C1C=CC=C2 Z1509682641 [1,0,0,0,0,1|2,0,0]=4 90 B16R2.477 NC(=O)COC1=CC2=C(C=CC=C2)C=C1 Z19834621 [1,0,0,0,0,1|2,0,0]=4 91 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)C=C1 Z19647382 [1,0,0,0,0,1|2,0,0]=4 92 B16R2.477 NC(=O)CSC1=NC2=C(C=CC=C2)N=C1 Z33546141 [1,0,0,0,0,1|1,0,1]=4 93 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 Z317037912 [1,0,0,0,0,1|2,0,0]=4 94 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 Z1272682544 [1,0,0,0,0,1|1,0,1]=4 95 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 Z1233207880 [1,0,0,0,0,1|1,0,1]=4 96 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=CC=C1 Z104644698 [1,0,0,0,0,1|2,0,0]=4 97 B16R2.179941 NC(=O)CNC1=C2C=CC=CC2=NC=N1 Z127860128 [1,0,0,0,0,1|1,0,1]=4 98 B16R2.179941 NC(=O)COC1=C2C=CC=CC2=CC=C1 Z19769010 [1,0,0,0,0,1|2,0,0]=4 99 B16R2.179941 NC(=O)CSC1=C2C=CC=CC2=NC=N1 Z19316000 [1,0,0,0,0,1|1,0,1]=4 100 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [1,0,0,0,0,1|2,0,0]=4 101 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CN=C1 Z1272682681 [1,0,0,0,0,1|1,0,1]=4 102 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 Z1165164633 [1,0,0,0,0,1|1,0,1]=4 103 B18R2.2417296 CC(SCC1=C2C=CC=CC2=CC=C1)C(=O)N Z742594214 [0,0,0,0,0,2|2,0,0]=4