0 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [0,0,0,0,0,0|2,0,0]=2 1 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [0,0,0,0,0,0|3,0,0]=3 2 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [0,0,0,0,0,0|0,0,0]=0 3 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 Z370714626 [0,0,0,0,0,0|1,0,0]=1 4 B16R2.36 O=C(O)CCCC1=NNC2=C1C=CC=C2 Z1509682641 [0,0,0,0,0,0|1,0,0]=1 5 B16R2.36 O=C(O)CCCN1C=NC2=C1C=CC=C2 Z285049656 [0,0,0,0,0,0|1,0,1]=2 6 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 Z3766503508 [1,0,0,0,0,0|1,0,1]=3 7 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395465 [0,1,0,0,0,0|2,0,0]=3 8 B17R2.4 CN/C(=N/CCC1=CNC2=C1C=CC=C2)/N Z1127393610 [0,1,0,0,0,0|3,0,0]=4 9 B17R2.4 CNC(=O)NCCC1=CSC2=C1C=CC=C2 Z513560640 [0,1,0,0,0,0|3,0,0]=4 10 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 Z45830904 [0,1,0,0,0,0|2,1,0]=4 11 B17R2.4 COC(=O)NCCN1C=NC2=C1C=CC=C2 Z934800016 [0,1,0,0,0,0|2,0,1]=4 12 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 Z1449765636 [0,1,0,0,0,0|2,0,0]=3 13 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 Z57396119 [0,1,0,0,0,0|2,0,0]=3 14 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [0,1,0,0,0,0|0,0,0]=1 15 B17R2.877 O=C(O)CCC(=O)C1=CSC2=C1C=CC=C2 Z370714370 [0,1,0,0,0,0|1,0,1]=3 16 B17R2.5025 O=C(O)CCCN1C(=O)OC2=C1C=CC=C2 Z56974917 [0,1,0,0,0,0|2,0,0]=3 17 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F Z1220452176 [0,1,0,0,0,0|2,0,0]=3 18 B17R2.37553 NC(=NCCC1=CNC2=C1C(=CC=C2)Br)N Z2518791892 [0,1,0,0,0,0|3,0,0]=4 19 B15R1.504 O=C(O)CCCCC#CC1=CC=CC=C1 Z1508922384 [0,0,1,0,0,0|1,0,2]=4 20 B15R1.504 O=C(O)CCCNCCC1=CC=CC=C1 Z600428434 [0,0,1,0,0,0|2,0,1]=4 21 B15R1.504 O=C(O)CCCOCCC1=CC=CC=C1 Z362795662 [0,0,1,0,0,0|2,0,1]=4 22 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O Z85914440 [0,0,1,0,0,0|3,0,0]=4 23 B15R1.8019 NC(=O)CCNC(=O)C1=C(C=CC=C1)N Z431594646 [0,0,1,0,0,0|3,0,0]=4 24 B15R1.8019 NC1=C(C=CC=C1)C(=O)CCCC(=O)O Z4657799880 [0,0,1,0,0,0|1,0,0]=2 25 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Cl Z56821823 [0,0,1,0,0,0|3,0,0]=4 26 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F Z85914939 [0,0,1,0,0,0|3,0,0]=4 27 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 Z1509155775 [0,0,0,1,0,0|2,0,0]=3 28 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [0,0,0,0,1,0|2,0,1]=4 29 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [0,0,0,0,1,0|1,0,0]=2 30 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [0,0,0,0,1,0|1,0,0]=2 31 B15R2.6 O=C(O)/C=C/C1=CSC2=C1C=CC=C2 Z2942853122 [0,0,0,0,1,0|1,0,2]=4 32 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [0,0,0,0,1,0|1,0,0]=2 33 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=C2 Z5336044044 [0,0,0,0,1,0|1,0,1]=3 34 B15R2.6 O=C(O)CCC1=CN=C2N1C=CC=N2 Z5401661850 [0,0,0,0,1,0|2,0,1]=4 35 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,0,1,0|0,0,0]=1 36 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [0,0,0,0,1,0|1,0,0]=2 37 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [0,0,0,0,1,0|1,0,2]=4 38 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [0,0,0,0,1,0|2,0,0]=3 39 B15R2.6 O=C(O)CCN1C=CC2=C1N=CC=C2 Z1216818692 [0,0,0,0,1,0|3,0,0]=4 40 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 Z57070422 [0,0,0,0,1,0|3,0,0]=4 41 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 Z384256698 [0,0,0,0,0,1|3,0,0]=4 42 B17R2.5669 O=C(O)CCCC1=NC2=C(C=CC=N2)C=C1 Z4898404245 [0,0,0,0,0,1|2,0,0]=3 43 B17R2.5669 O=C(O)CCOC1=CC2=C(C=CC=C2)C=C1 Z240085208 [0,0,0,0,0,1|2,0,0]=3 44 B17R2.291558 NC(=O)CCNC1=C2C=CC=CC2=NC=N1 Z600501624 [0,0,0,0,0,1|2,0,1]=4 45 B17R2.291558 NC(=O)CCSC1=C2C=CC=CC2=NC=N1 Z102937348 [0,0,0,0,0,1|2,0,1]=4 46 B17R2.291558 O=C(O)CCOC1=C2C=CC=CC2=CC=C1 Z240085196 [0,0,0,0,0,1|2,0,0]=3 47 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O Z235347059 [1,0,1,0,0,0|1,0,1]=4 48 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br Z295439190 [1,0,1,0,0,0|2,0,0]=4 49 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl Z285049454 [1,0,1,0,0,0|2,0,0]=4 50 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F Z274553234 [1,0,1,0,0,0|2,0,0]=4 51 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 Z2934530053 [1,0,1,0,0,0|0,0,1]=3 52 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 Z361415342 [1,0,1,0,0,0|1,0,0]=3 53 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 Z56854345 [1,0,1,0,0,0|2,0,0]=4 54 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 Z275368768 [1,0,1,0,0,0|2,0,0]=4 55 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 Z1787158574 [2,0,0,0,0,0|1,0,1]=4 56 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [2,0,0,0,0,0|1,0,0]=3 57 B16R1.608 O=C(O)CCCC(=O)NCC1=CC=CC=C1 Z90310984 [0,1,1,0,0,0|2,0,0]=4 58 B16R1.608 O=C(O)CCNC(=O)/C=C/C1=CC=CC=C1 Z57023704 [0,1,1,0,0,0|2,0,0]=4 59 B16R1.610 O=C(O)CSCCC(=O)NC1=CC=CC=C1 Z220140080 [0,1,1,0,0,0|1,0,1]=4 60 B16R2.12 CC(CN1C=CC2=C1C=CC=C2)C(=O)O Z431542264 [0,1,0,0,1,0|2,0,0]=4 61 B16R2.12 CC(CN1C=NC2=C1C=CC=C2)C(=O)O Z420848232 [0,1,0,0,1,0|1,0,1]=4 62 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,1,0,0,1,0|0,0,0]=2 63 B16R2.12 NC(CC1=CNC2=C1C=CC=N2)C(=O)O Z1274773112 [0,1,0,0,1,0|1,0,0]=3 64 B16R2.12 NC(CC1=CNC2=C1C=NC=N2)C(=O)O Z2010009926 [0,1,0,0,1,0|2,0,0]=4 65 B16R2.12 NC(CC1=CNC2=C1N=CC=C2)C(=O)O Z2289799514 [0,1,0,0,1,0|1,0,0]=3 66 B16R2.12 NC(CC1=CNC2=C1N=CC=N2)C(=O)O Z1508941507 [0,1,0,0,1,0|2,0,0]=4 67 B16R2.12 NC(CC1=COC2=C1C=CC=C2)C(=O)O Z1416286798 [0,1,0,0,1,0|1,0,0]=3 68 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O Z995104684 [0,1,0,0,1,0|1,0,0]=3 69 B16R2.12 NC(CN1C=NC2=C1C=CC=C2)C(=O)O Z2289798387 [0,1,0,0,1,0|1,0,1]=4 70 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,1,0,0,1,0|0,0,0]=2 71 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,1,0,0,1,0|0,0,0]=2 72 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 Z275127490 [0,1,0,0,1,0|0,0,0]=2 73 B16R2.520 CC(CC(=O)O)N1C=NC2=C1C=CC=C2 Z1695740381 [0,1,0,0,1,0|1,0,1]=4 74 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z1272912333 [0,1,0,0,1,0|0,0,0]=2 75 B16R2.2976 O=C(O)CCC1=CN=C2N1C=CC(=C2)Br Z5372150272 [0,1,0,0,1,0|1,0,1]=4 76 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(=C2)Cl Z1509536927 [0,1,0,0,1,0|0,0,0]=2 77 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [0,1,0,0,1,0|0,0,0]=2 78 B16R2.4003 CC1=NC2=C(N1CCC(=O)O)C=CC=C2 Z1718361743 [0,1,0,0,1,0|1,0,1]=4 79 B16R2.4003 O=C(O)CCC1C(=O)NC2=C1C=CC=C2 Z1508917501 [0,1,0,0,1,0|0,0,1]=3 80 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 Z57728665 [0,1,0,0,1,0|2,0,0]=4 81 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 Z57728689 [0,1,0,0,1,0|2,0,0]=4 82 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [0,1,0,0,1,0|0,0,0]=2 83 B16R2.15551 O=C(O)CCC1=CN=C2N1C=C(C=C2)Br Z5346930455 [0,1,0,0,1,0|1,0,1]=4 84 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [0,1,0,0,1,0|0,0,0]=2 85 B16R2.15551 O=C(O)CCN1C=CC2=C1C=C(C=C2)Cl Z385445922 [0,1,0,0,1,0|2,0,0]=4 86 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O Z1251197519 [0,1,0,0,1,0|0,0,0]=2 87 B16R2.22833 O=C(O)CCC1=CN=C2N1C=CC=C2Br Z5405727258 [0,1,0,0,1,0|1,0,1]=4 88 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O Z1316679515 [0,1,0,0,1,0|0,0,0]=2 89 B16R2.22904 O=C(O)CCC1=CNC2=C1C(=CC=C2)Br Z1509573127 [0,1,0,0,1,0|0,0,0]=2 90 B16R2.104522 CN1C=C(C2=C1C=CC=C2)/C=C/C(=O)O Z2942853389 [0,1,0,0,1,0|0,0,2]=4 91 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O Z335290460 [0,1,0,0,1,0|0,0,0]=2 92 B18R2.11 CN(CCC(=O)O)CC1=CSC2=C1C=CC=C2 Z1154382698 [0,1,0,0,0,1|1,0,0]=3 93 B18R2.7182 O=C(O)CCNC(=O)C1=CNC2=C1C=CC=C2 Z316090644 [0,1,0,0,0,1|0,0,1]=3 94 B18R2.6153 CC1=C(C=C2C=CC=NC2=N1)CCCC(=O)O Z4912025477 [0,1,0,0,0,1|1,0,1]=4 95 B18R2.9469 CNC(=O)CCCC1=CC2=C(C=CC=C2)C=C1 Z1592702885 [0,1,0,0,0,1|2,0,0]=4 96 B18R2.14644 O=C(O)CCC(=O)C1=CC2=C(C=CC=C2)C=C1 Z108576594 [0,1,0,0,0,1|1,0,1]=4 97 B18R2.63530 O=C(O)CCCC1=NC2=C(C=CC=C2)C(=O)N1 Z56983044 [0,1,0,0,0,1|2,0,0]=4 98 B18R2.282514 O=C(O)CCCN1C=NC2=C(C1=O)C=CC=C2 Z169511492 [0,1,0,0,0,1|1,0,1]=4 99 B18R2.4028 O=C(O)CCSC1=C2C=CC(=CC2=NC=C1)Cl Z64648724 [0,1,0,0,0,1|1,0,1]=4 100 B18R2.6573 O=C(O)CCCN1C(=O)CCC2=C1C=CC=C2 Z285049658 [0,1,0,0,0,1|2,0,0]=4 101 B18R2.2459307 O=C(O)CCC(=O)C1=C2C=CC=CC2=CC=C1 Z367446134 [0,1,0,0,0,1|1,0,1]=4 102 B18R2.9 CCNC(=O)CCCC1=CNC2=C1C=CC=C2 Z30281241 [0,2,0,0,0,0|1,0,0]=3 103 B18R2.9 CCNC(=O)NCCC1=CNC2=C1C=CC=C2 Z44605715 [0,2,0,0,0,0|2,0,0]=4 104 B18R2.9 O=C(CCCl)NCCC1=CNC2=C1C=CC=C2 Z57396155 [0,2,0,0,0,0|2,0,0]=4 105 B18R2.102090 CCC(=O)NCCC1=CNC2=C1C=CC(=C2)C Z981253882 [0,2,0,0,0,0|2,0,0]=4 106 B18R2.746173 O=C(CCl)NCCC1=CNC2=C1C(=CC=C2)Br Z3766270704 [0,2,0,0,0,0|2,0,0]=4 107 B18R2.746213 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2)C Z3587465786 [0,2,0,0,0,0|2,0,0]=4 108 B18R2.746213 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl Z1274619383 [0,2,0,0,0,0|2,0,0]=4 109 B18R2.38 CC(C(=O)O)N(C)CC1=CSC2=C1C=CC=C2 Z1459945568 [0,2,0,0,0,0|2,0,0]=4 110 B18R2.495014 CC1=C(C=C2C(=C1)N=CN2CCCC(=O)O)C Z234893345 [0,2,0,0,0,0|1,0,1]=4 111 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C Z1191880499 [0,2,0,0,0,0|2,0,0]=4 112 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N Z1196462057 [0,2,0,0,0,0|2,0,0]=4 113 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)C=C1 Z317037912 [0,0,1,1,0,0|1,0,1]=4 114 B16R2.477 O=C(O)CCC1=CC2=C(C=CC=C2)N=C1 Z1272682544 [0,0,1,1,0,0|0,0,2]=4 115 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 Z317037922 [0,0,1,1,0,0|1,0,1]=4 116 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=NC=C1 Z1165164633 [0,0,1,1,0,0|0,0,2]=4 117 B16R2.85 O=C(O)C1CCC(CN1)C2=CC=CC=C2 Z4087380841 [0,0,1,1,0,0|0,0,2]=4 118 B16R2.157 O=C(O)CC1CC(=NO1)C2=CC=CC=C2 Z1508923933 [0,0,1,1,0,0|2,0,0]=4 119 B16R2.24933 O=C(O)CC1CC(=O)C2=C(C1)C=CC=C2 Z1508935695 [0,0,1,1,0,0|2,0,0]=4 120 B16R3.3329 CC1=NCCC2=C1NC3=C2C=CC=C3 Z1198723409 [1,0,0,1,0,0|2,0,0]=4 121 B16R3.3329 O=C1CCCC2=C1NC3=C2C=CC=C3 Z57947925 [1,0,0,1,0,0|0,0,0]=2 122 B16R3.3329 O=C1CCCC2=C1SC3=C2C=CC=C3 Z1269244713 [1,0,0,1,0,0|1,0,0]=3 123 B16R3.3329 OC1CCCC2=C1NC3=C2C=CC=C3 Z1198152422 [1,0,0,1,0,0|0,0,1]=3 124 B18R3.117422 O=C(O)C1NCCC2=C1NC3=C2C=CC=C3 Z1508916978 [0,0,0,1,0,1|0,0,0]=2 125 B18R3.7353 NC(=O)C1CC1C2=C3C=CC=CC3=CC=C2 Z1151517055 [0,0,0,1,0,1|2,0,0]=4 126 B18R3.7353 O=C(O)[C@@H]1C[C@H]1C2=C3C=CC=CC3=CC=C2 Z2327124581 [0,0,0,1,0,1|1,0,0]=3 127 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 Z424791194 [0,0,1,0,1,0|0,0,2]=4 128 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 Z1569708913 [0,0,1,0,1,0|1,0,1]=4 129 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 Z316258810 [0,0,1,0,1,0|1,0,1]=4 130 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [0,0,1,0,1,0|1,0,0]=3 131 B14R1.160 NC1=C(C=CC=C1)C(=O)CCC(=O)O Z4561593840 [0,0,1,0,1,0|1,0,0]=3 132 B14R1.160 O=C(O)CCC(=O)C1=C(C=CC=C1)Br Z838955710 [0,0,1,0,1,0|2,0,0]=4 133 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,0,2,0|1,0,0]=3 134 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 Z199464144 [0,0,0,0,2,0|2,0,0]=4 135 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,0,2,0|1,0,0]=3 136 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,0,2,0|0,0,0]=2 137 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=N2 Z978942538 [0,0,0,0,2,0|1,0,0]=3 138 B14R2.2 O=C(O)CC1=CNC2=C1C=CN=C2 Z2213893334 [0,0,0,0,2,0|1,0,0]=3 139 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,0,2,0|1,0,0]=3 140 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,0,2,0|1,0,0]=3 141 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,0,2,0|1,0,0]=3 142 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,0,2,0|2,0,0]=4 143 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,0,2,0|2,0,0]=4 144 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,0,2,0|0,0,2]=4 145 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,0,2,0|2,0,0]=4 146 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,0,2,0|1,0,1]=4 147 B16R1.7414 CC1=C(C=CC=C1)NC(=O)CCCC(=O)O Z56754004 [0,0,1,0,0,1|2,0,0]=4 148 B16R1.7414 O=C(O)CCCC(=O)NC1=C(C=CC=C1)I Z90311789 [0,0,1,0,0,1|2,0,0]=4 149 B18R2.9909 O=C(O)CCCCC1=NC2=C(C=CC=N2)C=C1 Z4912264107 [0,0,0,0,0,2|2,0,0]=4 150 B18R2.556536 NC(=O)CCSCC1=C2C=CC=CC2=CC=C1 Z369456894 [0,0,0,0,0,2|2,0,0]=4 151 B18R2.556536 O=C(O)CCCOC1=C2C=CC=CC2=CC=C1 Z285049492 [0,0,0,0,0,2|1,0,0]=3