0 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.337 CC(=O)NCCSC1=CC=CC=C1 Z91147666 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.337 CC(=O)OC/C=C/C1=CC=CC=C1 Z19628284 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.337 CC(C)CNCCC1=CC=CC=C1 Z90503847 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 Z48820147 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,0,0,0,0|2,0,0]=2 9 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.337 NC(=O)CCNCC1=NC=CC=N1 Z995101296 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.337 O=C(O)C#CCCC1=CC=CC=C1 Z1235951037 [0,0,0,0,0,0|0,0,2]=2 14 B13R1.337 O=C(O)C#CCOC1=CC=CC=C1 Z1235950909 [0,0,0,0,0,0|1,0,2]=3 15 B13R1.337 O=C(O)CC/C=C/C1=CC=CC=C1 Z1222331031 [0,0,0,0,0,0|0,0,2]=2 16 B13R1.337 O=C(O)CCC#CC1=CC=CC=C1 Z1262510757 [0,0,0,0,0,0|0,0,2]=2 17 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,0,0,0,0|0,0,0]=0 18 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,0,0,0,0|1,0,0]=1 19 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 Z228589440 [0,0,0,0,0,0|3,0,0]=3 20 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,0,0,0,0|1,0,0]=1 21 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 Z927645802 [0,0,0,0,0,0|2,0,0]=2 22 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,0,0,0,0|1,0,0]=1 23 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,0,0,0,0|1,0,0]=1 24 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Z444311616 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 Z1272739864 [0,0,0,0,0,0|2,0,0]=2 26 B13R1.337 O=C(O)CCNCC1=NC=CC=C1 Z444311590 [0,0,0,0,0,0|2,0,0]=2 27 B13R1.337 O=C(O)CCNCC1=NC=CC=N1 Z995103122 [0,0,0,0,0,0|3,0,0]=3 28 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,0,0,0,0|1,0,0]=1 29 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,0,0,0,0|1,0,0]=1 30 B13R1.337 O=C(O)CCSCC1=NC=CC=C1 Z295403834 [0,0,0,0,0,0|2,0,0]=2 31 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,0,0,0,0|1,0,0]=1 32 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,0,0,0,0|1,0,0]=1 33 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,0,0,0,0|1,0,0]=1 34 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [1,0,0,0,0,0|2,0,1]=4 36 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [1,0,0,0,0,0|2,0,1]=4 37 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [1,0,0,0,0,0|3,0,0]=4 41 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [1,0,0,0,0,0|3,0,0]=4 42 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [1,0,0,0,0,0|1,0,1]=3 44 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [1,0,0,0,0,0|2,0,1]=4 45 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [1,0,0,0,0,0|2,0,1]=4 46 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [1,0,0,0,0,0|1,0,0]=2 47 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [1,0,0,0,0,0|1,0,1]=3 48 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [1,0,0,0,0,0|1,0,1]=3 49 B12R1.8 OCCCNCC1=CC=NC=C1 Z57455339 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [1,0,0,0,0,0|1,0,1]=3 52 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [1,0,0,0,0,0|1,0,1]=3 53 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [1,0,0,0,0,0|1,0,1]=3 54 B14R1.148 CC(=O)NCCCC1=CC(=CC=C1)Cl Z917589792 [0,1,0,0,0,0|2,0,0]=3 55 B14R1.148 CC(=O)OCCCC1=CC(=CC=C1)N Z1262644871 [0,1,0,0,0,0|2,0,0]=3 56 B14R1.148 CC1=CC(=CC=C1)CNCCC(=O)O Z415636682 [0,1,0,0,0,0|1,0,0]=2 57 B14R1.148 CC1=CC(=CC=C1)OCCCC(=O)O Z56887649 [0,1,0,0,0,0|1,0,0]=2 58 B14R1.148 CC1=CC=CC(=C1)CNCCS(=O)C Z1220772882 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.148 CS(=O)CCNCC1=CC(=CC=C1)Cl Z1220772631 [0,1,0,0,0,0|3,0,0]=4 60 B14R1.148 O=C(O)CCCCC1=CC(=CC=C1)O Z1262513974 [0,1,0,0,0,0|0,0,0]=1 61 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)Br Z56886433 [0,1,0,0,0,0|1,0,0]=2 62 B14R1.148 O=C(O)CCCOC1=CC(=CC=C1)F Z274763238 [0,1,0,0,0,0|1,0,0]=2 63 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)Cl Z449369192 [0,1,0,0,0,0|1,0,0]=2 64 B14R1.148 O=C(O)CCNCC1=CC(=CC=C1)F Z1695822100 [0,1,0,0,0,0|1,0,0]=2 65 B14R1.159 CC(=O)NCCOC1=C(C=CC=C1)Cl Z56753932 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.159 CC1=C(C=CC=C1)CNCCS(=O)C Z1220773265 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)N Z278515042 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.159 CC1=C(C=CC=C1)OCCCC(=O)O Z235347059 [0,1,0,0,0,0|1,0,0]=2 69 B14R1.159 NC(=NCCCC1=C(C=CC=C1)Br)N Z2693278441 [0,1,0,0,0,0|3,0,0]=4 70 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Br Z295439190 [0,1,0,0,0,0|1,0,0]=2 71 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl Z285049454 [0,1,0,0,0,0|1,0,0]=2 72 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)F Z274553234 [0,1,0,0,0,0|1,0,0]=2 73 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)Cl Z444311542 [0,1,0,0,0,0|1,0,0]=2 74 B14R1.159 O=C(O)CCNCC1=C(C=CC=C1)F Z56974823 [0,1,0,0,0,0|1,0,0]=2 75 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)Br Z56808161 [0,1,0,0,0,0|2,0,1]=4 76 B14R1.159 O=C(O)CO/N=C/C1=C(C=CC=C1)O Z56774780 [0,1,0,0,0,0|2,0,1]=4 77 B14R1.420 C/C(=N\OCC(=O)O)/C1=CC=CC=C1 Z56808172 [0,1,0,0,0,0|2,0,1]=4 78 B14R1.420 NC(CCCC(=O)O)C1=CC=CC=C1 Z2934530053 [0,1,0,0,0,0|0,0,0]=1 79 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 Z361415342 [0,1,0,0,0,0|0,0,1]=2 80 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 Z56854345 [0,1,0,0,0,0|1,0,1]=3 81 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 Z228588434 [0,1,0,0,0,0|2,0,1]=4 82 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 Z275368768 [0,1,0,0,0,0|1,0,1]=3 83 B14R1.420 O=C([O-])CCCC(O)C1=CC=CC=C1 Z2306083864 [0,1,0,0,0,0|0,0,1]=2 84 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [0,1,0,0,0,0|1,0,0]=2 85 B14R1.423 CN(CCC(=O)O)CC1=NC=CC=C1 Z431976564 [0,1,0,0,0,0|2,0,0]=3 86 B14R1.423 NC(=O)OCC(N)CC1=CC=CC=C1 Z1509064544 [0,1,0,0,0,0|2,0,0]=3 87 B14R1.423 NC(CC1=CC=CC=C1)NCC(=O)O Z57032609 [0,1,0,0,0,0|1,0,0]=2 88 B14R1.423 NC(CCC(=O)O)CC1=CC=CC=C1 Z1642061385 [0,1,0,0,0,0|0,0,0]=1 89 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 Z56176896 [0,1,0,0,0,0|1,0,1]=3 90 B14R1.423 O=C(O)CCC(=O)NC1=CN=CC=C1 Z429593776 [0,1,0,0,0,0|2,0,1]=4 91 B14R1.423 O=C(O)CCC(=O)NC1=NC=CC=C1 Z57103931 [0,1,0,0,0,0|2,0,1]=4 92 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,1,0,0,0,0|1,0,1]=3 93 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,1,0,0,0,0|2,0,1]=4 94 B14R1.677 CC(=O)NCCSC1=CC=C(C=C1)C Z90769847 [0,1,0,0,0,0|3,0,0]=4 95 B14R1.677 CC1=CC=C(C=C1)CCCCC(=O)O Z361415536 [0,1,0,0,0,0|0,0,0]=1 96 B14R1.677 CC1=CC=C(C=C1)CNCCS(=O)C Z1220772880 [0,1,0,0,0,0|3,0,0]=4 97 B14R1.677 CC1=CC=C(C=C1)OCCCC(=O)O Z56862234 [0,1,0,0,0,0|1,0,0]=2 98 B14R1.677 CC1=CC=C(C=C1)SCCCC(=O)O Z285049588 [0,1,0,0,0,0|1,0,0]=2 99 B14R1.677 CS(=O)CCNCC1=CC=C(C=C1)Cl Z1220772523 [0,1,0,0,0,0|3,0,0]=4 100 B14R1.677 NC(=O)CCCCC1=CC=C(C=C1)F Z1704240604 [0,1,0,0,0,0|1,0,0]=2 101 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)Br Z33546711 [0,1,0,0,0,0|2,0,0]=3 102 B14R1.677 NC(=O)CCCOC1=CC=C(C=C1)F Z278515040 [0,1,0,0,0,0|2,0,0]=3 103 B14R1.677 NC(=O)CCSCC1=CC=C(C=C1)I Z1276482268 [0,1,0,0,0,0|2,0,0]=3 104 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Br Z361415666 [0,1,0,0,0,0|0,0,0]=1 105 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)Cl Z361415664 [0,1,0,0,0,0|0,0,0]=1 106 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)F Z361415604 [0,1,0,0,0,0|0,0,0]=1 107 B14R1.677 O=C(O)CCCCC1=CC=C(C=C1)I Z361415654 [0,1,0,0,0,0|0,0,0]=1 108 B14R1.677 O=C(O)CCCNC1=CC=C(C=C1)I Z362772186 [0,1,0,0,0,0|1,0,0]=2 109 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br Z56886468 [0,1,0,0,0,0|1,0,0]=2 110 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl Z274553116 [0,1,0,0,0,0|1,0,0]=2 111 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F Z235347019 [0,1,0,0,0,0|1,0,0]=2 112 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)I Z381427780 [0,1,0,0,0,0|1,0,0]=2 113 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Br Z390051396 [0,1,0,0,0,0|1,0,0]=2 114 B14R1.677 O=C(O)CCCSC1=CC=C(C=C1)Cl Z56857874 [0,1,0,0,0,0|1,0,0]=2 115 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)Cl Z444311410 [0,1,0,0,0,0|1,0,0]=2 116 B14R1.677 O=C(O)CCNCC1=CC=C(C=C1)F Z444311612 [0,1,0,0,0,0|1,0,0]=2 117 B14R1.677 O=C(O)COCCC1=CC=C(C=C1)Br Z802811836 [0,1,0,0,0,0|1,0,0]=2 118 B14R1.716 C=CC(=O)NCCSC1=CC=CC=C1 Z652690650 [0,1,0,0,0,0|3,0,0]=4 119 B14R1.716 CCC(=O)NCCCC1=CC=CC=C1 Z26437203 [0,1,0,0,0,0|2,0,0]=3 120 B14R1.716 CNC(=O)CCCOC1=CC=CC=C1 Z32016290 [0,1,0,0,0,0|2,0,0]=3 121 B14R1.716 CNC(=O)NCCNC1=CC=CC=C1 Z1334885642 [0,1,0,0,0,0|3,0,0]=4 122 B14R1.716 COC(=O)CCCSC1=CC=CC=C1 Z15777497 [0,1,0,0,0,0|1,0,0]=2 123 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 Z235349199 [0,1,0,0,0,0|1,0,0]=2 124 B14R1.716 COC(=O)CCNCC1=CC=NC=C1 Z53116769 [0,1,0,0,0,0|2,0,0]=3 125 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 Z56862411 [0,1,0,0,0,0|2,0,0]=3 126 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 Z56755199 [0,1,0,0,0,0|3,0,0]=4 127 B14R1.716 O=C(CCl)NCCSC1=CC=CC=C1 Z90121771 [0,1,0,0,0,0|3,0,0]=4 128 B14R1.818 C/C(=C\C(=O)O)/CCC1=CC=CC=C1 Z352748426 [0,1,0,0,0,0|0,0,2]=3 129 B14R1.818 CC(CC(=O)N)NCC1=CC=CC=C1 Z90503215 [0,1,0,0,0,0|2,0,0]=3 130 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O Z352782432 [0,1,0,0,0,0|0,0,0]=1 131 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O Z1459897052 [0,1,0,0,0,0|1,0,0]=2 132 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O Z2832013470 [0,1,0,0,0,0|0,0,0]=1 133 B14R1.3331 NS(=O)(=O)CCOCC1=CC=CC=C1 Z1206904541 [0,1,0,0,0,0|2,0,1]=4 134 B14R1.3331 O=P(O)(O)CCCCC1=CC=CC=C1 Z1269108857 [0,1,0,0,0,0|1,0,0]=2 135 B14R1.6449 CC(CCOC1=CC=CC=C1)C(=O)O Z839123502 [0,1,0,0,0,0|1,0,0]=2 136 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O Z1762658341 [0,1,0,0,0,0|1,0,0]=2 137 B14R1.6449 CC(COCC1=CC=CC=C1)C(=O)O Z431541082 [0,1,0,0,0,0|1,0,0]=2 138 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O Z431541728 [0,1,0,0,0,0|1,0,0]=2 139 B14R1.6449 CC(CSCC1=CN=CC=C1)C(=O)O Z1251190240 [0,1,0,0,0,0|2,0,0]=3 140 B14R1.6449 CC(SCCC1=CC=CC=C1)C(=O)N Z1486300646 [0,1,0,0,0,0|2,0,0]=3 141 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O Z1259335833 [0,1,0,0,0,0|0,0,0]=1 142 B14R1.6449 NC(CCSC1=CC=CC=C1)C(=O)O Z1080372958 [0,1,0,0,0,0|1,0,0]=2 143 B14R1.6449 NC(CNCC1=CC=CC=C1)C(=O)O Z1945696031 [0,1,0,0,0,0|1,0,0]=2 144 B14R1.6449 N[C@@H](CCOC1=CC=CC=C1)C(=O)O Z1262524421 [0,1,0,0,0,0|1,0,0]=2 145 B14R1.6449 O=C(O)C(O)CCCC1=CC=CC=C1 Z1262514933 [0,1,0,0,0,0|0,0,0]=1 146 B14R2.2 CC(=O)NC1CCC2=C1C=CC=C2 Z196761018 [0,0,0,1,0,0|2,0,0]=3 147 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,0,1,0,0|3,0,0]=4 148 B14R2.2 NC(=NC1CCC2=C1C=CC=C2)N Z1696871298 [0,0,0,1,0,0|3,0,0]=4 149 B14R2.2 NC(=O)CN1CCC2=C1C=CC=C2 Z54749713 [0,0,0,1,0,0|2,0,0]=3 150 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,1,0,0|1,0,2]=4 151 B14R2.2 O=C(O)CC1=COC2=C1C=CC=C2 Z119989454 [0,0,0,1,0,0|1,0,2]=4 152 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 Z432090858 [0,0,0,1,0,0|1,0,2]=4 153 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 Z335442472 [0,0,0,1,0,0|2,0,1]=4 154 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 Z99600464 [0,0,0,1,0,0|2,0,1]=4 155 B14R2.2 O=C(O)CC1=NSC2=C1C=CC=C2 Z1262511380 [0,0,0,1,0,0|2,0,1]=4 156 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,1,0,0|0,0,0]=1 157 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,1,0,0|1,0,0]=2 158 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,1,0,0|1,0,0]=2 159 B14R2.2 O=C(O)CC1OCC2=C1C=CC=N2 Z5457661360 [0,0,0,1,0,0|2,0,0]=3 160 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 Z274525914 [0,0,0,1,0,0|1,0,2]=4 161 B14R2.2 O=C(O)CN1C=NC2=C1C=CC=C2 Z237574652 [0,0,0,1,0,0|2,0,1]=4 162 B14R2.2 O=C(O)CN1N=CC2=C1C=CC=C2 Z959320648 [0,0,0,1,0,0|2,0,1]=4 163 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 Z57069978 [0,0,0,1,0,0|3,0,0]=4 164 B14R2.19 C=C1CCN(C1)CC2=CC=CC=C2 Z1182342629 [0,0,0,1,0,0|3,0,0]=4 165 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,0,0,1,0,0|3,0,0]=4 166 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 Z1233210256 [0,0,0,1,0,0|2,0,1]=4 167 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,0,1,0,0|2,0,0]=3 168 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,0,0,1,0,0|1,0,0]=2 169 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,0,0,1,0,0|0,0,0]=1 170 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,0,1,0,0|1,0,0]=2 171 B14R2.19 O=C1NN=C(O1)CC2=CC=CC=C2 Z1206172055 [0,0,0,1,0,0|2,0,1]=4 172 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,1,0,0|2,0,0]=3 173 B14R2.19 OC1CCN(C1)CC2=CC=CC=C2 Z370712446 [0,0,0,1,0,0|2,0,1]=4 174 B14R2.19 O[C@@H]1CCN(C1)CC2=CC=CC=C2 Z817098778 [0,0,0,1,0,0|2,0,1]=4 175 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,1,0,0|2,0,1]=4 176 B14R2.21 CC1CNCC(O1)C2=CC=CC=C2 Z405744536 [0,0,0,1,0,0|2,0,1]=4 177 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [0,0,0,1,0,0|2,0,1]=4 178 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [0,0,0,1,0,0|1,0,1]=3 179 B14R2.21 O=C1C=C(CCC1)C2=CN=CC=C2 Z1258851299 [0,0,0,1,0,0|2,0,1]=4 180 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,1,0,0|1,0,0]=2 181 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,1,0,0|1,0,0]=2 182 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,1,0,0|2,0,0]=3 183 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,1,0,0|2,0,0]=3 184 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,1,0,0|2,0,0]=3 185 B14R2.21 OC1C=C(CCC1)C2=CC=CC=C2 Z1255490746 [0,0,0,1,0,0|1,0,2]=4 186 B14R2.21 OC1CCOC(C1)C2=CC=CC=C2 Z1192341080 [0,0,0,1,0,0|2,0,1]=4 187 B14R2.21 O[C@@H]1CCN[C@@H](C1)C2=CC=CC=C2 Z3334408669 [0,0,0,1,0,0|2,0,1]=4 188 B14R2.333 O=S1(=O)NCCC1C2=CC=CC=C2 Z1813175701 [0,0,0,1,0,0|2,0,1]=4 189 B14R2.391 O=C1CCCCC2=C(N1)C=CC=C2 Z1255423561 [0,0,0,1,0,0|1,0,0]=2 190 B14R2.764 O=C(O)C1CC1CC2=CC=CC=C2 Z979743464 [0,0,0,1,0,0|0,0,0]=1 191 B14R2.764 O=C(O)[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4550381864 [0,0,0,1,0,0|1,0,0]=2 192 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,0,0,1,0,0|1,0,0]=2 193 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 Z826117806 [0,0,0,1,0,0|2,0,0]=3 194 B14R2.3018 C1=CC=C(C=C1)COCCC2CO2 Z1861993933 [0,0,0,1,0,0|2,0,1]=4 195 B14R2.3018 C1=CC=C(C=C1)COCC[C@H]2CO2 Z1861993975 [0,0,0,1,0,0|2,0,1]=4 196 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=N2 Z254451258 [0,0,0,1,0,0|3,0,0]=4 197 B14R2.31359 CC(=O)N1CCCC2=C1N=CC=C2 Z2494633004 [0,0,0,1,0,0|3,0,0]=4 198 B14R2.31359 N=C(N)C1CCCC2=C1C=CC=C2 Z1365396759 [0,0,0,1,0,0|2,0,0]=3 199 B14R2.31359 N=C(N)C1OCCC2=C1C=CC=C2 Z2194170560 [0,0,0,1,0,0|3,0,0]=4 200 B14R2.31359 NC(=O)C1CCNC2=C1C=CC=C2 Z1255503269 [0,0,0,1,0,0|2,0,0]=3 201 B14R2.31359 NC(=O)C1NCCC2=C1C=CC=C2 Z844454790 [0,0,0,1,0,0|2,0,0]=3 202 B14R2.31359 O=C(O)C1CC=CC2=C1C=CC=C2 Z1262514070 [0,0,0,1,0,0|0,0,2]=3 203 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 Z235361249 [0,0,0,1,0,0|0,0,0]=1 204 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=N2 Z3463202985 [0,0,0,1,0,0|1,0,0]=2 205 B14R2.31359 O=C(O)C1CCCC2=C1N=CC=C2 Z1889710360 [0,0,0,1,0,0|1,0,0]=2 206 B14R2.31359 O=C(O)C1CCNC2=C1C=CC=C2 Z2568751807 [0,0,0,1,0,0|1,0,0]=2 207 B14R2.31359 O=C(O)C1CCOC2=C1C=CC=C2 Z792377210 [0,0,0,1,0,0|1,0,0]=2 208 B14R2.31359 O=C(O)C1CCSC2=C1C=CC=C2 Z1262395890 [0,0,0,1,0,0|1,0,0]=2 209 B14R2.31359 O=C(O)C1CNCC2=C1C=CC=C2 Z255149970 [0,0,0,1,0,0|1,0,0]=2 210 B14R2.31359 O=C(O)C1OCCC2=C1C=CC=C2 Z255149974 [0,0,0,1,0,0|1,0,0]=2 211 B14R2.31359 O=C(O)C1SCCC2=C1C=CC=C2 Z1198158777 [0,0,0,1,0,0|1,0,0]=2 212 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,0,0,1,0|2,0,0]=3 213 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,0,0,1,0|2,0,0]=3 214 B12R1.252 CC(=O)NCCC1=CC=NC=C1 Z1198165525 [0,0,0,0,1,0|3,0,0]=4 215 B12R1.252 CC(=O)NCCC1=NC=CC=C1 Z32445986 [0,0,0,0,1,0|3,0,0]=4 216 B12R1.252 CC(=O)NNCC1=CC=CC=C1 Z1726022904 [0,0,0,0,1,0|3,0,0]=4 217 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,0,0,0,1,0|2,0,1]=4 218 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,0,0,0,1,0|2,0,1]=4 219 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,0,0,0,1,0|3,0,0]=4 220 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,0,0,1,0|3,0,0]=4 221 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,0,0,1,0|3,0,0]=4 222 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,0,0,1,0|2,0,0]=3 223 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,0,0,1,0|2,0,0]=3 224 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,0,0,1,0|2,0,0]=3 225 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,0,0,1,0|2,0,0]=3 226 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,0,0,1,0|3,0,0]=4 227 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,0,0,1,0|2,0,0]=3 228 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,0,0,1,0|2,0,0]=3 229 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,0,0,1,0|3,0,0]=4 230 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,0,0,1,0|3,0,0]=4 231 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,0,0,1,0|3,0,0]=4 232 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,0,0,1,0|2,1,0]=4 233 B12R1.252 O=C(O)/C=C/SC1=CC=CC=C1 Z104378002 [0,0,0,0,1,0|1,0,2]=4 234 B12R1.252 O=C(O)CC#CC1=CC=CC=C1 Z976639296 [0,0,0,0,1,0|0,0,2]=3 235 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,0,0,1,0|0,0,0]=1 236 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,0,0,1,0|1,0,0]=2 237 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,0,0,1,0|1,0,0]=2 238 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,0,0,1,0|2,0,0]=3 239 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,0,0,1,0|1,0,0]=2 240 B12R1.252 O=C(O)CCNC1=NC=CC=C1 Z285820166 [0,0,0,0,1,0|2,0,0]=3 241 B12R1.252 O=C(O)CCNC1=NC=CC=N1 Z246310120 [0,0,0,0,1,0|3,0,0]=4 242 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,0,0,1,0|1,0,0]=2 243 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,0,0,1,0|2,0,0]=3 244 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,0,0,1,0|1,0,0]=2 245 B12R1.252 O=C(O)CCSC1=NC=CC=C1 Z102927312 [0,0,0,0,1,0|2,0,0]=3 246 B12R1.252 O=C(O)CCSC1=NC=CC=N1 Z102922408 [0,0,0,0,1,0|3,0,0]=4 247 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,0,0,1,0|2,0,0]=3 248 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z1259041052 [0,0,0,0,1,0|2,0,0]=3 249 B12R1.252 O=C(O)COCC1=CC=NC=C1 Z1262561205 [0,0,0,0,1,0|2,0,0]=3 250 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,0,0,1,0|2,0,0]=3 251 B12R1.252 O=C(O)COCC1=NC=CC=C1 Z1262528420 [0,0,0,0,1,0|2,0,0]=3 252 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,0,0,1,0|1,0,0]=2 253 B12R1.252 O=C(O)CSCC1=CC=NC=C1 Z228589362 [0,0,0,0,1,0|2,0,0]=3 254 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,0,0,1,0|2,0,0]=3 255 B12R1.252 O=C(O)CSCC1=NC=CC=C1 Z228589018 [0,0,0,0,1,0|2,0,0]=3 256 B12R1.255 O=C(O)CCCCC1=CNN=N1 Z1650031577 [0,0,0,0,1,0|3,0,0]=4 257 B12R1.255 O=C(O)CCCCN1C=CN=C1 Z362633758 [0,0,0,0,1,0|2,0,0]=3 258 B12R1.255 O=C(O)CCCCN1C=CN=N1 Z4912522151 [0,0,0,0,1,0|3,0,0]=4 259 B12R1.255 O=C(O)CNCCC1=CC=CS1 Z1259273193 [0,0,0,0,1,0|2,0,0]=3 260 B14R1.422 CC(=CCCNCC1=CC=CC=C1)C Z1262611625 [0,0,0,0,0,1|2,0,1]=4 261 B14R1.422 CC(=O)NCCCSC1=CC=NC=C1 Z1478236166 [0,0,0,0,0,1|3,0,0]=4 262 B14R1.422 CC(O)CCCOCC1=CC=CC=C1 Z902048690 [0,0,0,0,0,1|1,0,1]=3 263 B14R1.422 CN(C)CCCNCC1=CC=CC=C1 Z56983149 [0,0,0,0,0,1|3,0,0]=4 264 B14R1.422 CN(C)CCNCCC1=CC=CC=C1 Z90512805 [0,0,0,0,0,1|3,0,0]=4 265 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 Z424791194 [0,0,0,0,0,1|0,0,0]=1 266 B14R1.422 O=C(O)CCCNCC1=CC=CC=C1 Z1569708913 [0,0,0,0,0,1|0,0,0]=1 267 B14R1.422 O=C(O)CCCNCC1=NC=CC=C1 Z363998446 [0,0,0,0,0,1|1,0,0]=2 268 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 Z316258810 [0,0,0,0,0,1|0,0,0]=1 269 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 Z1270173016 [0,0,0,0,0,1|0,0,0]=1 270 B14R1.422 O=C(O)COC/C=C/C1=CC=CC=C1 Z2887852692 [0,0,0,0,0,1|0,0,2]=3 271 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 Z316259120 [0,0,0,0,0,1|1,0,0]=2 272 B14R1.422 O=C(O)CSCCCC1=CC=CC=C1 Z65517782 [0,0,0,0,0,1|0,0,0]=1 273 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [2,0,0,0,0,0|2,0,0]=4 274 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [2,0,0,0,0,0|1,0,1]=4 275 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [2,0,0,0,0,0|0,0,1]=3 276 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [2,0,0,0,0,0|1,0,1]=4 277 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [2,0,0,0,0,0|1,0,1]=4 278 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [2,0,0,0,0,0|1,0,1]=4 279 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [2,0,0,0,0,0|1,0,1]=4 280 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [2,0,0,0,0,0|2,0,0]=4 281 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [2,0,0,0,0,0|2,0,0]=4 282 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [2,0,0,0,0,0|1,0,0]=3 283 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [2,0,0,0,0,0|2,0,0]=4 284 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [2,0,0,0,0,0|2,0,0]=4 285 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [2,0,0,0,0,0|2,0,0]=4 286 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [2,0,0,0,0,0|2,0,0]=4 287 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [2,0,0,0,0,0|2,0,0]=4 288 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [2,0,0,0,0,0|0,0,0]=2 289 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [2,0,0,0,0,0|1,0,0]=3 290 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [2,0,0,0,0,0|1,0,0]=3 291 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [2,0,0,0,0,0|1,0,0]=3 292 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [2,0,0,0,0,0|2,0,0]=4 293 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [2,0,0,0,0,0|2,0,0]=4 294 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [2,0,0,0,0,0|1,0,0]=3 295 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [2,0,0,0,0,0|2,0,0]=4 296 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [2,0,0,0,0,0|1,0,0]=3 297 B13R1.6 CNCCCCC1=CC(=CC=C1)Br Z3023446824 [1,1,0,0,0,0|2,0,0]=4 298 B13R1.6 OCCCNCC1=CC(=CC=C1)Cl Z1455950511 [1,1,0,0,0,0|1,0,1]=4 299 B13R1.9 NC1=CC=C(C=C1)CCNCCO Z1251358284 [1,1,0,0,0,0|1,0,1]=4 300 B13R1.9 NCCCCCC1=CC=C(C=C1)Br Z3327815448 [1,1,0,0,0,0|1,0,1]=4 301 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [1,1,0,0,0,0|1,0,1]=4 302 B13R1.9 NCCCCCC1=CC=C(C=C1)F Z1255496234 [1,1,0,0,0,0|1,0,1]=4 303 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 Z1219747350 [1,1,0,0,0,0|1,0,1]=4 304 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [1,1,0,0,0,0|1,0,1]=4 305 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [1,1,0,0,0,0|1,0,1]=4 306 B13R1.24 N#CCCCC(N)C1=CC=CC=C1 Z2216303120 [1,1,0,0,0,0|1,0,1]=4 307 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [1,1,0,0,0,0|1,0,1]=4 308 B13R1.28 CNCCCOCC1=CC=CC=C1 Z164328298 [1,1,0,0,0,0|2,0,0]=4 309 B13R1.28 COCCCNCC1=CC=CC=C1 Z1723483716 [1,1,0,0,0,0|1,0,1]=4 310 B13R1.28 COCCNCCC1=CC=CC=C1 Z90501852 [1,1,0,0,0,0|1,0,1]=4 311 B13R1.28 NCCCCOCC1=CC=CC=C1 Z285164088 [1,1,0,0,0,0|1,0,1]=4 312 B13R1.28 NCCCOCCC1=CC=CC=C1 Z330915366 [1,1,0,0,0,0|1,0,1]=4 313 B13R1.28 O=CCCCC#CC1=CC=CC=C1 Z1511742437 [1,1,0,0,0,0|0,0,1]=3 314 B13R1.28 O=CCCCCOC1=CC=CC=C1 Z1041146860 [1,1,0,0,0,0|0,0,0]=2 315 B13R1.28 OCCCCNCC1=CC=CC=C1 Z57203042 [1,1,0,0,0,0|0,0,1]=3 316 B13R1.28 OCCCOCCC1=CC=CC=C1 Z445138016 [1,1,0,0,0,0|0,0,1]=3 317 B13R1.28 OCCOCCOC1=CC=CC=C1 Z756092452 [1,1,0,0,0,0|1,0,1]=4 318 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [1,1,0,0,0,0|1,0,1]=4 319 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [1,1,0,0,0,0|1,0,1]=4 320 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [1,1,0,0,0,0|1,0,1]=4 321 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [1,1,0,0,0,0|1,0,1]=4 322 B13R1.44 C=CCCC(=O)CC1=CC=CC=C1 Z1219747793 [1,1,0,0,0,0|1,0,1]=4 323 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [1,1,0,0,0,0|1,0,1]=4 324 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [1,1,0,0,0,0|0,0,1]=3 325 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [1,1,0,0,0,0|1,0,1]=4 326 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [1,1,0,0,0,0|1,0,1]=4 327 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [0,1,0,0,1,0|2,0,0]=4 328 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,1,0,0,1,0|0,0,0]=2 329 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [0,1,0,0,1,0|1,0,0]=3 330 B13R1.45 CN(CCC(=O)O)C1=CC=NC=C1 Z1762658191 [0,1,0,0,1,0|2,0,0]=4 331 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [0,1,0,0,1,0|2,0,0]=4 332 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,1,0,0,1,0|2,0,0]=4 333 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,1,0,0,1,0|2,0,0]=4 334 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,1,0,0,1,0|0,0,0]=2 335 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,1,0,0,1,0|0,0,1]=3 336 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 Z1255488500 [0,1,0,0,1,0|1,0,1]=4 337 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 Z838955798 [0,1,0,0,1,0|1,0,1]=4 338 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [0,1,0,0,1,0|1,0,1]=4 339 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Br Z2286728666 [0,1,0,0,1,0|2,0,0]=4 340 B13R1.149 CC(=O)NCCC1=CC(=CC=C1)Cl Z52318908 [0,1,0,0,1,0|2,0,0]=4 341 B13R1.149 CC(=O)OCCC1=CC(=CC=C1)N Z1262633949 [0,1,0,0,1,0|2,0,0]=4 342 B13R1.149 CC1=CC(=CC=C1)CNCC(=O)O Z1270446344 [0,1,0,0,1,0|1,0,0]=3 343 B13R1.149 CC1=CC(=CC=C1)COCC(=O)O Z1251362362 [0,1,0,0,1,0|1,0,0]=3 344 B13R1.149 CC1=CC(=CC=C1)CSCC(=O)O Z19692175 [0,1,0,0,1,0|1,0,0]=3 345 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [0,1,0,0,1,0|2,0,0]=4 346 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [0,1,0,0,1,0|2,0,0]=4 347 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)O Z56805757 [0,1,0,0,1,0|1,0,0]=3 348 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [0,1,0,0,1,0|2,0,0]=4 349 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [0,1,0,0,1,0|2,0,0]=4 350 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [0,1,0,0,1,0|2,0,0]=4 351 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [0,1,0,0,1,0|2,0,0]=4 352 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [0,1,0,0,1,0|2,0,0]=4 353 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [0,1,0,0,1,0|2,0,0]=4 354 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,1,0,0,1,0|2,0,0]=4 355 B13R1.149 O=C(O)C/C=C/C1=CC(=CC=C1)F Z1350606434 [0,1,0,0,1,0|0,0,2]=4 356 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,0,0,1,0|0,0,0]=2 357 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,0,0,1,0|0,0,0]=2 358 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Br Z56893184 [0,1,0,0,1,0|1,0,0]=3 359 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)Cl Z240085186 [0,1,0,0,1,0|1,0,0]=3 360 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)F Z240085194 [0,1,0,0,1,0|1,0,0]=3 361 B13R1.149 O=C(O)CCOC1=CC(=CC=C1)I Z381428310 [0,1,0,0,1,0|1,0,0]=3 362 B13R1.149 O=C(O)CCSC1=CC(=CC=C1)Cl Z994465870 [0,1,0,0,1,0|1,0,0]=3 363 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)Br Z239092040 [0,1,0,0,1,0|1,0,0]=3 364 B13R1.149 O=C(O)CNCC1=CC(=CC=C1)F Z763367852 [0,1,0,0,1,0|1,0,0]=3 365 B13R1.149 O=C(O)COCC1=CC(=CC=C1)Cl Z1258763876 [0,1,0,0,1,0|1,0,0]=3 366 B13R1.149 O=C(O)COCC1=CC(=O)NC=C1 Z2680630303 [0,1,0,0,1,0|2,0,0]=4 367 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br Z19692009 [0,1,0,0,1,0|1,0,0]=3 368 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Cl Z19691783 [0,1,0,0,1,0|1,0,0]=3 369 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [0,1,0,0,1,0|2,0,0]=4 370 B13R1.158 CC(=O)NCCC1=C(C=CC=C1)C Z52314092 [0,1,0,0,1,0|2,0,0]=4 371 B13R1.158 CC1=C(C=CC=C1)CNCC(=O)O Z763366336 [0,1,0,0,1,0|1,0,0]=3 372 B13R1.158 CC1=C(C=CC=C1)COCC(=O)O Z1251362361 [0,1,0,0,1,0|1,0,0]=3 373 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [0,1,0,0,1,0|2,0,0]=4 374 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)O Z56922066 [0,1,0,0,1,0|1,0,0]=3 375 B13R1.158 CC1=C(C=CC=C1)OCCC(=O)O Z56805748 [0,1,0,0,1,0|1,0,0]=3 376 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)Cl Z154209976 [0,1,0,0,1,0|2,0,0]=4 377 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [0,1,0,0,1,0|2,0,0]=4 378 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [0,1,0,0,1,0|2,0,0]=4 379 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)F Z103229740 [0,1,0,0,1,0|2,0,0]=4 380 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N Z382712128 [0,1,0,0,1,0|2,0,0]=4 381 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,0,0,1,0|0,0,0]=2 382 B13R1.158 O=C(O)C/C=C/C1=C(C=CC=C1)F Z1354602491 [0,1,0,0,1,0|0,0,2]=4 383 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,0,0,1,0|0,0,0]=2 384 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,0,0,1,0|0,0,0]=2 385 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,0,0,1,0|0,0,0]=2 386 B13R1.158 O=C(O)CCCN1C=CC=CC1=O Z285049636 [0,1,0,0,1,0|1,0,0]=3 387 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Br Z295439184 [0,1,0,0,1,0|1,0,0]=3 388 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)Cl Z206905212 [0,1,0,0,1,0|1,0,0]=3 389 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)F Z56922157 [0,1,0,0,1,0|1,0,0]=3 390 B13R1.158 O=C(O)CCOC1=C(C=CC=C1)O Z1262518325 [0,1,0,0,1,0|1,0,0]=3 391 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Br Z293002250 [0,1,0,0,1,0|1,0,0]=3 392 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)Cl Z56813499 [0,1,0,0,1,0|1,0,0]=3 393 B13R1.158 O=C(O)CCSC1=C(C=CC=C1)F Z103229718 [0,1,0,0,1,0|1,0,0]=3 394 B13R1.158 O=C(O)COCC1=C(C=CC=C1)Cl Z316259048 [0,1,0,0,1,0|1,0,0]=3 395 B13R1.158 O=C(O)CSCC1=C(C=CC=C1)Cl Z19691784 [0,1,0,0,1,0|1,0,0]=3 396 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [0,1,0,0,1,0|1,0,1]=4 397 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,1,0,0,1,0|1,0,0]=3 398 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,0,0,1,0|0,0,0]=2 399 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,0,0,1,0|0,0,0]=2 400 B13R1.351 C=C(COC1=CC=CC=C1)C(=O)O Z1197868054 [0,1,0,0,1,0|1,0,1]=4 401 B13R1.351 CC(/C=C/C1=CC=CC=C1)C(=O)O Z3241898772 [0,1,0,0,1,0|0,0,2]=4 402 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [0,1,0,0,1,0|2,0,0]=4 403 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O Z425469932 [0,1,0,0,1,0|1,0,0]=3 404 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O Z431541708 [0,1,0,0,1,0|1,0,0]=3 405 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O Z426041612 [0,1,0,0,1,0|1,0,0]=3 406 B13R1.351 CC(NCC1=CN=CC=C1)C(=O)O Z440613690 [0,1,0,0,1,0|2,0,0]=4 407 B13R1.351 CC(NCC1=NC=CC=C1)C(=O)O Z1270255478 [0,1,0,0,1,0|2,0,0]=4 408 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,1,0,0,1,0|2,0,0]=4 409 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O Z316258798 [0,1,0,0,1,0|1,0,0]=3 410 B13R1.351 CC(OCC1=CC=NC=C1)C(=O)O Z2235681270 [0,1,0,0,1,0|2,0,0]=4 411 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Z18753939 [0,1,0,0,1,0|1,0,0]=3 412 B13R1.351 C[C@H](NCC1=NC=CC=C1)C(=O)O Z5717815294 [0,1,0,0,1,0|2,0,0]=4 413 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O Z1255498772 [0,1,0,0,1,0|1,0,0]=3 414 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,1,0,0,1,0|0,0,0]=2 415 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O Z3004510439 [0,1,0,0,1,0|1,0,0]=3 416 B13R1.351 NC(CCC1=NC=CC=C1)C(=O)O Z2310672466 [0,1,0,0,1,0|1,0,0]=3 417 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,1,0,0,1,0|0,0,0]=2 418 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,1,0,0,1,0|0,0,0]=2 419 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [0,1,0,0,1,0|0,0,1]=3 420 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,1,0,0,1,0|0,0,0]=2 421 B13R1.513 CC1=CC=C(C=C1)/C=C/CC(=O)O Z1374884612 [0,1,0,0,1,0|0,0,2]=4 422 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,0,0,1,0|0,0,0]=2 423 B13R1.513 CC1=CC=C(C=C1)CNCC(=O)O Z359506420 [0,1,0,0,1,0|1,0,0]=3 424 B13R1.513 CC1=CC=C(C=C1)COCC(=O)O Z2630879936 [0,1,0,0,1,0|1,0,0]=3 425 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,1,0,0,1,0|2,0,0]=4 426 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O Z19691181 [0,1,0,0,1,0|1,0,0]=3 427 B13R1.513 CC1=CC=C(C=C1)NCCC(=O)O Z56886521 [0,1,0,0,1,0|1,0,0]=3 428 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,1,0,0,1,0|2,0,0]=4 429 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)O Z56805738 [0,1,0,0,1,0|1,0,0]=3 430 B13R1.513 CC1=CC=C(C=C1)SCCC(=O)O Z56813260 [0,1,0,0,1,0|1,0,0]=3 431 B13R1.513 CC1=CN=C(C=C1)NCCC(=O)O Z295404834 [0,1,0,0,1,0|2,0,0]=4 432 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,1,0,0,1,0|2,0,0]=4 433 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,1,0,0,1,0|2,0,0]=4 434 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,1,0,0,1,0|2,0,0]=4 435 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,1,0,0,1,0|2,0,0]=4 436 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,1,0,0,1,0|2,0,0]=4 437 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,1,0,0,1,0|2,0,0]=4 438 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,1,0,0,1,0|2,0,0]=4 439 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,1,0,0,1,0|2,0,0]=4 440 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,0,0,1,0|0,0,0]=2 441 B13R1.513 NC1=CC=C(C=C1)OCCC(=O)O Z1259335771 [0,1,0,0,1,0|1,0,0]=3 442 B13R1.513 O=C(O)C/C=C/C1=CC=C(C=C1)Br Z2939850891 [0,1,0,0,1,0|0,0,2]=4 443 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,0,0,1,0|0,0,0]=2 444 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,0,0,1,0|0,0,0]=2 445 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,0,0,1,0|0,0,0]=2 446 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,0,0,1,0|0,0,0]=2 447 B13R1.513 O=C(O)CCCC1=NN=C(C=C1)Cl Z1416161900 [0,1,0,0,1,0|2,0,0]=4 448 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Br Z240085156 [0,1,0,0,1,0|1,0,0]=3 449 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)Cl Z57229608 [0,1,0,0,1,0|1,0,0]=3 450 B13R1.513 O=C(O)CCOC1=CC=C(C=C1)F Z240085178 [0,1,0,0,1,0|1,0,0]=3 451 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Br Z102925164 [0,1,0,0,1,0|1,0,0]=3 452 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl Z56812813 [0,1,0,0,1,0|1,0,0]=3 453 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)F Z90123554 [0,1,0,0,1,0|1,0,0]=3 454 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)Cl Z1259339984 [0,1,0,0,1,0|1,0,0]=3 455 B13R1.513 O=C(O)CNCC1=CC=C(C=C1)F Z818727022 [0,1,0,0,1,0|1,0,0]=3 456 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Br Z19691780 [0,1,0,0,1,0|1,0,0]=3 457 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)Cl Z19691775 [0,1,0,0,1,0|1,0,0]=3 458 B13R1.513 O=C(O)CSCC1=CC=C(C=C1)F Z19691787 [0,1,0,0,1,0|1,0,0]=3 459 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,1,0,0,1,0|1,0,1]=4 460 B13R1.128 O=C(O)COCCC1=CC=C(S1)Cl Z802811852 [0,1,0,0,1,0|2,0,0]=4 461 B13R1.342 O=C(O)CCCC(=O)C1=CC=CS1 Z234895521 [0,1,0,0,1,0|1,0,1]=4 462 B15R1.119 CC1=CC(=CC=C1)OCCCCC(=O)O Z362633584 [0,1,0,0,0,1|0,0,0]=2 463 B15R1.119 O=C(O)CCCNCC1=CC(=CC=C1)Cl Z432066896 [0,1,0,0,0,1|0,0,0]=2 464 B15R1.119 O=C(O)CCCNCC1=CC(=CC=C1)F Z594038296 [0,1,0,0,0,1|0,0,0]=2 465 B15R1.131 CC(=O)NCCSCC1=C(C=CC=C1)F Z88219333 [0,1,0,0,0,1|2,0,0]=4 466 B15R1.131 CC1=C(C=CC=C1)CNCCCC(=O)O Z540729312 [0,1,0,0,0,1|0,0,0]=2 467 B15R1.131 O=C(O)CCCNCC1=C(C=CC=C1)Cl Z951367946 [0,1,0,0,0,1|0,0,0]=2 468 B15R1.497 CC(CSCCC(=O)N)C1=CC=CC=C1 Z1615330227 [0,1,0,0,0,1|1,0,0]=3 469 B15R1.497 NC(CCCCC(=O)O)C1=CC=CC=C1 Z1270384388 [0,1,0,0,0,1|0,0,0]=2 470 B15R1.497 O=C(O)CCCCC(=O)C1=CC=CC=C1 Z424790894 [0,1,0,0,0,1|0,0,0]=2 471 B15R1.497 O=C(O)CCCNC(=O)C1=CC=CC=C1 Z85888857 [0,1,0,0,0,1|0,0,1]=3 472 B15R1.497 O=C(O)CCCNC(=O)C1=CN=CC=C1 Z235541930 [0,1,0,0,0,1|1,0,1]=4 473 B15R1.871 CC(=O)NCCSCC1=CC=C(C=C1)C Z88216693 [0,1,0,0,0,1|2,0,0]=4 474 B15R1.871 CC1=CC=C(C=C1)OCCSCC(=O)N Z45314445 [0,1,0,0,0,1|2,0,0]=4 475 B15R1.871 NC(=O)CSCCOC1=CC=C(C=C1)Br Z45306833 [0,1,0,0,0,1|2,0,0]=4 476 B15R1.871 NC(=O)CSCCOC1=CC=C(C=C1)Cl Z45313753 [0,1,0,0,0,1|2,0,0]=4 477 B15R1.871 O=C(O)CCCCCC1=CC=C(C=C1)F Z424791162 [0,1,0,0,0,1|0,0,0]=2 478 B15R1.871 O=C(O)CCCCCC1=CC=C(C=C1)I Z424791190 [0,1,0,0,0,1|0,0,0]=2 479 B15R1.871 O=C(O)CCCCCC1=CC=C(C=C1)O Z1101449465 [0,1,0,0,0,1|0,0,0]=2 480 B15R1.871 O=C(O)CCCCOC1=CC=C(C=C1)Br Z362633550 [0,1,0,0,0,1|0,0,0]=2 481 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)Cl Z763367840 [0,1,0,0,0,1|0,0,0]=2 482 B15R1.871 O=C(O)CCCNCC1=CC=C(C=C1)F Z540729206 [0,1,0,0,0,1|0,0,0]=2 483 B15R1.871 O=C(O)CSCCOC1=CC=C(C=C1)Cl Z19691056 [0,1,0,0,0,1|1,0,0]=3 484 B15R1.962 C=CC(=O)NCCCOC1=CC=CC=C1 Z979505918 [0,1,0,0,0,1|2,0,0]=4 485 B15R1.962 CCC(=O)NCCCSC1=CC=CC=C1 Z30738226 [0,1,0,0,0,1|2,0,0]=4 486 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 Z1459947037 [0,1,0,0,0,1|0,0,0]=2 487 B15R1.962 COC(=O)CCCOCC1=CC=CC=C1 Z415715900 [0,1,0,0,0,1|0,0,0]=2 488 B15R1.962 O=C(CCl)NCCCCC1=CC=CC=C1 Z258588746 [0,1,0,0,0,1|1,0,0]=3 489 B15R1.962 O=C(CCl)NCCCSC1=CC=CC=C1 Z147651676 [0,1,0,0,0,1|2,0,0]=4 490 B15R1.1081 CN(CCNC(=O)N)CC1=CC=CC=C1 Z807416550 [0,1,0,0,0,1|2,0,0]=4 491 B15R1.1081 O=C(O)CCCC(=O)NC1=CC=NC=C1 Z275154544 [0,1,0,0,0,1|1,0,1]=4 492 B15R1.1081 O=C(O)CCNC(=O)CC1=CC=CC=C1 Z85914383 [0,1,0,0,0,1|0,0,1]=3 493 B15R1.1081 O=C(O)CCNC(=O)NC1=CC=CC=C1 Z56760697 [0,1,0,0,0,1|1,0,1]=4 494 B15R1.1081 O=C([O-])CCCC(O)CC1=CC=CC=C1 Z4609125319 [0,1,0,0,0,1|0,0,1]=3 495 B15R1.3664 CC(NCCOC1=CC=CC=C1)C(=O)O Z1642389853 [0,1,0,0,0,1|1,0,0]=3 496 B15R1.3664 CC(OCCOC1=CC=CC=C1)C(=O)O Z316259124 [0,1,0,0,0,1|1,0,0]=3 497 B15R1.3664 CC(SCCOC1=CC=CC=C1)C(=O)N Z17266239 [0,1,0,0,0,1|2,0,0]=4 498 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O Z4120966915 [0,1,0,0,0,1|0,0,0]=2 499 B15R1.3664 O=C(O)C(=O)NCCCC1=CC=CC=C1 Z600586824 [0,1,0,0,0,1|0,0,1]=3 500 B15R1.3890 NS(=O)(=O)CCCOCC1=CC=CC=C1 Z1206904539 [0,1,0,0,0,1|1,0,1]=4 501 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 Z291879514 [0,1,0,0,0,1|1,0,1]=4 502 B15R1.5919 NC(=NCC(O)CCC1=CC=CC=C1)N Z2518441045 [0,1,0,0,0,1|2,0,0]=4 503 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 Z85886717 [0,1,0,0,0,1|0,0,1]=3 504 B15R1.5919 O=C(O)CNC(=O)COC1=CC=CC=C1 Z57044269 [0,1,0,0,0,1|1,0,1]=4 505 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 Z285919546 [0,1,0,0,0,1|1,0,1]=4 506 B15R1.5919 O=C(O)CNC(=S)NCC1=CC=CC=C1 Z56799653 [0,1,0,0,0,1|1,0,1]=4 507 B15R1.9084 CC(=O)CC(=O)NCCC1=CC=CC=C1 Z57515162 [0,1,0,0,0,1|1,0,1]=4 508 B15R1.64 COC1=CC(=CC=C1)CSCCC(=O)N Z955204320 [0,2,0,0,0,0|2,0,0]=4 509 B15R1.64 COC1=CC(=CC=C1)NCCCC(=O)O Z285672806 [0,2,0,0,0,0|1,0,0]=3 510 B15R1.64 O=CC1=CC=CC(=C1)OCCCC(=O)O Z400426452 [0,2,0,0,0,0|1,0,0]=3 511 B15R1.120 CC1=CC(=CC=C1)NC(=O)CCC(=O)O Z56176901 [0,2,0,0,0,0|1,0,1]=4 512 B15R1.120 CN(CCC(=O)O)CC1=CC(=CC=C1)Cl Z57028587 [0,2,0,0,0,0|1,0,0]=3 513 B15R1.120 O=C(O)CCC(=O)NC1=CC(=CC=C1)Cl Z56176918 [0,2,0,0,0,0|1,0,1]=4 514 B15R1.120 O=C(O)CNC(=O)CC1=CC(=CC=C1)Br Z905183598 [0,2,0,0,0,0|1,0,1]=4 515 B15R1.120 O=C(O)CNC(=O)CC1=CC(=CC=C1)F Z85887050 [0,2,0,0,0,0|1,0,1]=4 516 B15R1.120 O=C(O)CNC(=O)CC1=CC(=CC=C1)O Z816009634 [0,2,0,0,0,0|1,0,1]=4 517 B15R1.123 CC1=C(C(=CC=C1)CNCCC(=O)O)Br Z2935859482 [0,2,0,0,0,0|1,0,0]=3 518 B15R1.123 O=C(O)CCCOC1=C(C(=CC=C1)Cl)Cl Z317258788 [0,2,0,0,0,0|1,0,0]=3 519 B15R1.888 CC(=O)CCCOC1=CC(=C(C=C1)Cl)C Z906196668 [0,2,0,0,0,0|2,0,0]=4 520 B15R1.888 CC1=C(C=C(C=C1)OCCCC(=O)O)C Z285049464 [0,2,0,0,0,0|1,0,0]=3 521 B15R1.888 CC1=C(C=CC(=C1)OCCCC(=O)O)Cl Z56860336 [0,2,0,0,0,0|1,0,0]=3 522 B15R1.888 NC(=O)CCSCC1=CC(=C(C=C1)Br)F Z1337437359 [0,2,0,0,0,0|2,0,0]=4 523 B15R1.888 NC(=O)CCSCC1=CC(=C(C=C1)Cl)F Z1797018829 [0,2,0,0,0,0|2,0,0]=4 524 B15R1.888 O=C(O)CCCCC1=CC(=C(C=C1)Cl)Cl Z389927998 [0,2,0,0,0,0|0,0,0]=2 525 B15R1.888 O=C(O)CCCOC1=CC(=C(C=C1)F)F Z390100640 [0,2,0,0,0,0|1,0,0]=3 526 B15R1.942 COC(=O)CCOCC1=CC(=CC=C1)Br Z1544762136 [0,2,0,0,0,0|1,0,0]=3 527 B15R1.942 O=C(CO)NCCNC1=CC(=CC=C1)Br Z1620473425 [0,2,0,0,0,0|2,0,0]=4 528 B15R1.5448 NC(=O)CCSCC1=CC(=CC(=C1)F)Br Z1337436694 [0,2,0,0,0,0|2,0,0]=4 529 B15R1.8273 CC(NCCC(=O)N)C1=CC(=CC=C1)Cl Z53113200 [0,2,0,0,0,0|2,0,0]=4 530 B15R1.8273 CC1=CC(=CC=C1)C(=O)NCCC(=O)O Z56957409 [0,2,0,0,0,0|1,0,1]=4 531 B15R1.8273 O=C(O)CCNC(=O)C1=CC(=CC=C1)Cl Z85914364 [0,2,0,0,0,0|1,0,1]=4 532 B15R1.8448 CC1=CC(=C(C=C1)C)CSCCC(=O)N Z369459968 [0,2,0,0,0,0|2,0,0]=4 533 B15R1.8448 CC1=CC(=C(C=C1)F)CNCCC(=O)N Z1607898726 [0,2,0,0,0,0|2,0,0]=4 534 B15R1.8448 NC(=O)CCSCC1=C(C=CC(=C1)Br)F Z900454212 [0,2,0,0,0,0|2,0,0]=4 535 B15R1.256 CC1=C(C=CC=C1)CN(C)CCC(=O)N Z53115342 [0,2,0,0,0,0|2,0,0]=4 536 B15R1.256 CN(CCC(=O)N)CC1=C(C=CC=C1)Br Z53115036 [0,2,0,0,0,0|2,0,0]=4 537 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)Cl Z56176911 [0,2,0,0,0,0|1,0,1]=4 538 B15R1.256 O=C(O)CCC(=O)NC1=C(C=CC=C1)O Z57125020 [0,2,0,0,0,0|1,0,1]=4 539 B15R1.1091 CNC(=O)CCCOC1=C(C=CC=C1)Br Z434462528 [0,2,0,0,0,0|2,0,0]=4 540 B15R1.1091 COC(=O)CCCOC1=C(C=CC=C1)F Z415715568 [0,2,0,0,0,0|1,0,0]=3 541 B15R1.5821 CC1=CC(=C(C=C1)OCCCC(=O)O)C Z274567738 [0,2,0,0,0,0|1,0,0]=3 542 B15R1.5821 CC1=CC(=C(C=C1)OCCCC(=O)O)Cl Z995007972 [0,2,0,0,0,0|1,0,0]=3 543 B15R1.5821 O=C(O)CCCOC1=C(C=C(C=C1)Cl)Cl Z57252704 [0,2,0,0,0,0|1,0,0]=3 544 B15R1.5821 O=C(O)CCCOC1=C(C=C(C=C1)F)F Z274553202 [0,2,0,0,0,0|1,0,0]=3 545 B15R1.5821 O=C(O)CCNCC1=C(C=C(C=C1)Cl)Cl Z1222283883 [0,2,0,0,0,0|1,0,0]=3 546 B15R1.8019 CC1=C(C=CC=C1)C(=O)NCCC(=O)O Z85914440 [0,2,0,0,0,0|1,0,1]=4 547 B15R1.8019 NC1=C(C=CC=C1)C(=O)CCCC(=O)O Z4657799880 [0,2,0,0,0,0|0,0,1]=3 548 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)Cl Z56821823 [0,2,0,0,0,0|1,0,1]=4 549 B15R1.8019 O=C(O)CCNC(=O)C1=C(C=CC=C1)F Z85914939 [0,2,0,0,0,0|1,0,1]=4 550 B15R1.8290 O=C(O)CCNCC1=C(C=CC=C1F)F Z4946670322 [0,2,0,0,0,0|1,0,0]=3 551 B15R1.490 O=C(O)CCNS(=O)(=O)C1=CC=CC=C1 Z45532283 [0,2,0,0,0,0|2,0,0]=4 552 B15R1.500 C=C(CN[C@H](C)C1=CC=CC=C1)C(=O)O Z5266789671 [0,2,0,0,0,0|1,0,1]=4 553 B15R1.500 CC(CNC(=O)C1=CC=CC=C1)C(=O)O Z994989346 [0,2,0,0,0,0|1,0,1]=4 554 B15R1.500 CC(NCC(N)C(=O)O)C1=CC=CC=C1 Z2519151303 [0,2,0,0,0,0|1,0,0]=3 555 B15R1.500 NC(CCC(=O)C1=CC=CC=C1)C(=O)O Z1723556613 [0,2,0,0,0,0|0,0,1]=3 556 B15R1.882 CC(SCCC(=O)N)C1=CC=C(C=C1)Cl Z785687054 [0,2,0,0,0,0|2,0,0]=4 557 B15R1.882 CC1=CC=C(C=C1)C(=O)CCCC(=O)O Z361415418 [0,2,0,0,0,0|0,0,1]=3 558 B15R1.882 CC1=CC=C(C=C1)C(=O)NCCC(=O)O Z85914376 [0,2,0,0,0,0|1,0,1]=4 559 B15R1.882 C[C@H](NCCC(=O)O)C1=CC=C(C=C1)F Z3446521391 [0,2,0,0,0,0|1,0,0]=3 560 B15R1.882 NC(CCCC(=O)O)C1=CC=C(C=C1)Br Z5168954345 [0,2,0,0,0,0|0,0,0]=2 561 B15R1.882 NC1=CC=C(C=C1)C(=O)NCCC(=O)O Z90661320 [0,2,0,0,0,0|1,0,1]=4 562 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)Br Z361415350 [0,2,0,0,0,0|0,0,1]=3 563 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)F Z330828710 [0,2,0,0,0,0|0,0,1]=3 564 B15R1.882 O=C(O)CCCS(=O)C1=CC=C(C=C1)Br Z802570822 [0,2,0,0,0,0|1,0,0]=3 565 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)Br Z56940973 [0,2,0,0,0,0|1,0,1]=4 566 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)Cl Z56943777 [0,2,0,0,0,0|1,0,1]=4 567 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)F Z85914341 [0,2,0,0,0,0|1,0,1]=4 568 B15R1.882 O=C(O)CSCC(=O)C1=CC=C(C=C1)Cl Z275931696 [0,2,0,0,0,0|1,0,1]=4 569 B15R1.959 C=CC(=O)NCC[C@@H](O)C1=CC=CC=C1 Z3766089459 [0,2,0,0,0,0|2,0,0]=4 570 B15R1.959 C=CC(=O)NCC[C@H](O)C1=CC=CC=C1 Z3859892486 [0,2,0,0,0,0|2,0,0]=4 571 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 Z1509470270 [0,2,0,0,0,0|0,0,1]=3 572 B15R1.959 COC(=O)CCCN(C)C1=CC=CC=C1 Z415714100 [0,2,0,0,0,0|1,0,0]=3 573 B15R1.1076 CC(CC(=O)O)NC(=O)C1=CC=CC=C1 Z85971724 [0,2,0,0,0,0|1,0,1]=4 574 B15R1.1078 CC(NCC(=O)N)C(C)C1=CC=CC=C1 Z1621624468 [0,2,0,0,0,0|2,0,0]=4 575 B15R1.1078 CN(CCC(=O)O)C(=O)C1=CC=CC=C1 Z715586166 [0,2,0,0,0,0|1,0,1]=4 576 B15R1.111 CN(CCC(=O)N)CC1=CC=C(C=C1)F Z57028586 [0,2,0,0,0,0|2,0,0]=4 577 B15R1.111 NC1=CC=C(C=C1)NC(=O)CCC(=O)O Z56915429 [0,2,0,0,0,0|1,0,1]=4 578 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)Br Z57126452 [0,2,0,0,0,0|1,0,1]=4 579 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)Cl Z56176927 [0,2,0,0,0,0|1,0,1]=4 580 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)I Z56176961 [0,2,0,0,0,0|1,0,1]=4 581 B15R1.111 O=C(O)CNC(=O)CC1=CC=C(C=C1)O Z361585418 [0,2,0,0,0,0|1,0,1]=4 582 B15R1.964 C=CC(=O)NC[C@@H](O)CC1=CC=CC=C1 Z3490366462 [0,2,0,0,0,0|2,0,0]=4 583 B15R1.964 COC(=O)CCC(N)CC1=CC=CC=C1 Z1551463585 [0,2,0,0,0,0|0,0,0]=2 584 B15R1.964 COC(=O)CCN(C)CC1=CC=CC=C1 Z53116225 [0,2,0,0,0,0|1,0,0]=3 585 B15R1.3675 CN(CC1=CC=CC=C1)CC(N)C(=O)O Z854090108 [0,2,0,0,0,0|1,0,0]=3 586 B15R1.12243 O=C(O)CCS(=O)(=O)CC1=CC=NC=C1 Z398513728 [0,2,0,0,0,0|2,0,0]=4 587 B15R1.12243 O=C(O)CCS(=O)(=O)CC1=CN=CC=C1 Z398513722 [0,2,0,0,0,0|2,0,0]=4 588 B15R1.12243 O=C(O)CCS(=O)(=O)CC1=NC=CC=C1 Z406679926 [0,2,0,0,0,0|2,0,0]=4 589 B15R1.12243 O=C(O)CCS(=O)(=O)NC1=CC=CC=C1 Z111875074 [0,2,0,0,0,0|2,0,0]=4 590 B15R1.12243 O=C(O)CNS(=O)(=O)CC1=CC=CC=C1 Z57023740 [0,2,0,0,0,0|2,0,0]=4 591 B15R1.4 COC1=CC=C(C=C1)CCCCC(=O)O Z361415678 [0,2,0,0,0,0|0,0,0]=2 592 B15R1.4 COC1=CC=C(C=C1)NCCCC(=O)O Z285672774 [0,2,0,0,0,0|1,0,0]=3 593 B15R1.4 COC1=CC=C(C=C1)OCCCC(=O)N Z33546582 [0,2,0,0,0,0|2,0,0]=4 594 B15R1.4 COC1=CC=C(C=C1)OCCCC(=O)O Z56862235 [0,2,0,0,0,0|1,0,0]=3 595 B15R1.4 COC1=CC=C(C=C1)SCCCC(=O)O Z285049620 [0,2,0,0,0,0|1,0,0]=3 596 B15R1.4 CSC1=CC=C(C=C1)CSCCC(=O)N Z369461636 [0,2,0,0,0,0|2,0,0]=4 597 B15R1.26 C=CC(=O)NCCCC1=CC=C(C=C1)Cl Z1938105668 [0,2,0,0,0,0|2,0,0]=4 598 B15R1.26 CCC(=O)NCCCC1=CC=C(C=C1)Cl Z980214226 [0,2,0,0,0,0|2,0,0]=4 599 B15R1.26 CNC(=O)CCCSC1=CC=C(C=C1)Br Z1155390379 [0,2,0,0,0,0|2,0,0]=4 600 B15R1.26 CNC(=O)CCNCC1=CC=C(C=C1)Br Z878888738 [0,2,0,0,0,0|2,0,0]=4 601 B15R1.26 COC(=O)CCCOC1=CC=C(C=C1)N Z1266933911 [0,2,0,0,0,0|1,0,0]=3 602 B15R1.26 COC(=O)CCCSC1=CC=C(C=C1)Br Z415716774 [0,2,0,0,0,0|1,0,0]=3 603 B15R1.870 CC(CCC1=CC=C(C=C1)Br)CC(=O)O Z1041181754 [0,2,0,0,0,0|0,0,0]=2 604 B15R1.870 CC(CCC1=CC=C(C=C1)I)CC(=O)O Z1041181746 [0,2,0,0,0,0|0,0,0]=2 605 B15R1.741 CC(CCC1=CC=CC=C1)NC(=O)CCl Z56896254 [0,2,0,0,0,0|2,0,0]=4 606 B15R1.778 CCCC(=O)NCCCC1=CC=CC=C1 Z26437178 [0,2,0,0,0,0|2,0,0]=4 607 B15R1.778 CCOC(=O)CCNCC1=CN=CC=C1 Z53116801 [0,2,0,0,0,0|2,0,0]=4 608 B15R1.778 COCC(=O)NCCSC1=CC=CC=C1 Z102431856 [0,2,0,0,0,0|2,0,0]=4 609 B15R1.778 CSCC(=O)NCCCC1=CC=CC=C1 Z26436449 [0,2,0,0,0,0|1,1,0]=4 610 B15R1.1321 COC(=O)C(C)CNCC1=CC=CC=C1 Z53116254 [0,2,0,0,0,0|1,0,0]=3 611 B15R1.1321 COC(=O)C(C)SCCC1=CN=CC=C1 Z1742659899 [0,2,0,0,0,0|2,0,0]=4 612 B15R1.1321 COC(=O)C(O)CCCC1=CC=CC=C1 Z1269030229 [0,2,0,0,0,0|0,0,0]=2 613 B15R1.3678 CC(C(=O)N)N(C)CCC1=CC=CC=C1 Z644691004 [0,2,0,0,0,0|2,0,0]=4 614 B15R1.9012 CC(C)(CCCC1=CC=CC=C1)C(=O)O Z995179750 [0,2,0,0,0,0|0,0,0]=2 615 B15R1.9012 CC(C)(COCC1=CC=CC=C1)C(=O)O Z1335956862 [0,2,0,0,0,0|1,0,0]=3 616 B13R1.343 O=C(O)CCCCCC1=CC=CS1 Z424791116 [0,0,1,1,0,0|1,0,1]=4 617 B13R2.1 OCCN1CCC2=C1C=CC=C2 Z425793930 [1,0,0,1,0,0|1,0,1]=4 618 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 Z2205958510 [1,0,0,1,0,0|2,0,0]=4 619 B13R2.3 C1=CC=C(C=C1)C2CNCCO2 Z283821656 [1,0,0,1,0,0|1,0,1]=4 620 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [1,0,0,1,0,0|2,0,0]=4 621 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [1,0,0,1,0,0|1,0,1]=4 622 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [1,0,0,1,0,0|0,0,0]=2 623 B13R2.15 O=C1CCCN1C2=CC=CC=C2 Z55670889 [1,0,0,1,0,0|1,0,0]=3 624 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [1,0,0,1,0,0|1,0,0]=3 625 B13R2.15 O=C1NCCC1C2=CN=CC=C2 Z1509251842 [1,0,0,1,0,0|2,0,0]=4 626 B13R2.15 O=C1NCCN1C2=CC=CC=C2 Z1201621797 [1,0,0,1,0,0|2,0,0]=4 627 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [1,0,0,1,0,0|1,0,0]=3 628 B13R2.15 O=C1OCCN1C2=CC=CC=C2 Z235352409 [1,0,0,1,0,0|2,0,0]=4 629 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [1,0,0,1,0,0|1,0,1]=4 630 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [1,0,0,1,0,0|0,0,1]=3 631 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [1,0,0,1,0,0|1,0,1]=4 632 B13R2.25 O=C=NC1CC1C2=CC=CC=C2 Z1094720198 [1,0,0,1,0,0|1,0,1]=4 633 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [1,0,0,1,0,0|0,0,0]=2 634 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [1,0,0,1,0,0|1,0,1]=4 635 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [1,0,0,1,0,0|1,0,1]=4 636 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [1,0,0,1,0,0|0,0,0]=2 637 B13R2.56 OC[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3691037314 [1,0,0,1,0,0|1,0,1]=4 638 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [1,0,0,1,0,0|1,0,1]=4 639 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [1,0,0,1,0,0|2,0,0]=4 640 B13R2.67 C1=CC2=C(C=C1)CNCCCC2 Z1262564835 [1,0,0,1,0,0|2,0,0]=4 641 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 Z1262691695 [1,0,0,1,0,0|1,0,1]=4 642 B13R2.1613 N#CC1CCCC2=C1C=CC=C2 Z295443708 [1,0,0,1,0,0|1,0,1]=4 643 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [1,0,0,1,0,0|1,0,1]=4 644 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 Z1079132786 [1,0,0,1,0,0|0,0,0]=2 645 B13R2.1613 O=CC1CCOC2=C1C=CC=C2 Z608061286 [1,0,0,1,0,0|1,0,0]=3 646 B13R2.1613 O=CC1COCC2=C1C=CC=C2 Z1255449548 [1,0,0,1,0,0|1,0,0]=3 647 B13R2.1613 O=CN1CCCC2=C1C=CC=C2 Z1258520825 [1,0,0,1,0,0|1,0,0]=3 648 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [1,0,0,1,0,0|0,0,1]=3 649 B13R2.1613 OCC1CCCC2=C1N=CC=C2 Z1216823106 [1,0,0,1,0,0|1,0,1]=4 650 B13R2.1613 OCC1CNCC2=C1C=CC=C2 Z2310716062 [1,0,0,1,0,0|1,0,1]=4 651 B13R2.1613 OCC1NCCC2=C1C=CC=C2 Z1192380043 [1,0,0,1,0,0|1,0,1]=4 652 B13R2.2382 C1=CC=C(C=C1)COCC2CO2 Z56346889 [1,0,0,1,0,0|1,0,1]=4 653 B13R2.2382 C1=CC=C(C=C1)COC[C@@H]2CO2 Z1255431172 [1,0,0,1,0,0|1,0,1]=4 654 B13R2.2382 C1=CC=C(C=C1)COC[C@H]2CO2 Z1171222157 [1,0,0,1,0,0|1,0,1]=4 655 B13R2.2383 C1=CC=C(C=C1)CCC2CNC2 Z2831439423 [1,0,0,1,0,0|2,0,0]=4 656 B13R2.5252 C=C1CCCOC2=C1C=CC=C2 Z1097113969 [1,0,0,1,0,0|2,0,0]=4 657 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [1,0,0,1,0,0|0,0,0]=2 658 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [1,0,0,1,0,0|1,0,0]=3 659 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [1,0,0,1,0,0|1,0,0]=3 660 B13R2.5252 O=C1CSCCC2=C1C=CC=C2 Z1407045833 [1,0,0,1,0,0|1,0,0]=3 661 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 Z1201622867 [1,0,0,1,0,0|1,0,0]=3 662 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 Z234898083 [1,0,0,1,0,0|2,0,0]=4 663 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 Z1255372525 [1,0,0,1,0,0|2,0,0]=4 664 B13R2.5252 O=S1CCCNC2=C1C=CC=C2 Z1266856052 [1,0,0,1,0,0|2,0,0]=4 665 B13R2.5252 OB1OCCCC2=C1C=CC=C2 Z4918189532 [1,0,0,1,0,0|2,0,0]=4 666 B13R2.5252 OC1CCCCC2=C1C=CC=C2 Z228586126 [1,0,0,1,0,0|0,0,1]=3 667 B13R2.5252 O[C@@H]1CCCSC2=C1C=CC=C2 Z1436075942 [1,0,0,1,0,0|1,0,1]=4 668 B13R2.5252 O[C@H]1CCCSC2=C1C=CC=C2 Z1436075943 [1,0,0,1,0,0|1,0,1]=4 669 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [0,0,0,1,1,0|1,0,1]=4 670 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,1,1,0|2,0,0]=4 671 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,1,1,0|2,0,0]=4 672 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,1,1,0|2,0,0]=4 673 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,0,0,1,1,0|2,0,0]=4 674 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,1,1,0|2,0,0]=4 675 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,1,1,0|2,0,0]=4 676 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,0,1,1,0|1,0,0]=3 677 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,0,0,1,1,0|1,0,1]=4 678 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 Z30624388 [0,0,0,1,1,0|2,0,0]=4 679 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,0,1,1,0|1,0,0]=3 680 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,0,1,1,0|2,0,0]=4 681 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,0,1,1,0|2,0,0]=4 682 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,0,1,1,0|0,0,0]=2 683 B13R2.72 O=C(O)C1COC2=C1C=CC=C2 Z897815480 [0,0,0,1,1,0|1,0,0]=3 684 B13R2.72 O=C(O)C1CSC2=C1C=CC=C2 Z1222331919 [0,0,0,1,1,0|1,0,0]=3 685 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,0,1,1,0|1,0,0]=3 686 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,0,1,1,0|1,0,0]=3 687 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,0,1,1,0|2,0,0]=4 688 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,0,0,1,1,0|2,0,0]=4 689 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,0,0,1,1,0|2,0,0]=4 690 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,0,0,1,1,0|2,0,0]=4 691 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,0,0,1,1,0|2,0,0]=4 692 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,0,0,1,1,0|0,0,0]=2 693 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,0,0,1,1,0|0,0,0]=2 694 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=NC=C2 Z2379204261 [0,0,0,1,1,0|1,0,0]=3 695 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,0,1,1,0|1,0,0]=3 696 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=NC=CC=C2 Z3070727223 [0,0,0,1,1,0|1,0,0]=3 697 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,0,0,1,1,0|0,0,0]=2 698 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,0,0,1,1,0|0,0,0]=2 699 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 Z57931417 [0,0,0,1,1,0|1,0,1]=4 700 B13R2.432 O=C(O)[C@@H]1CC[C@H]1N2C=CC=N2 Z2311233501 [0,0,0,1,1,0|2,0,0]=4 701 B13R2.5569 NC(=O)C1CCCC2=C1C=CS2 Z1460887846 [0,0,0,1,1,0|2,0,0]=4 702 B13R2.5569 O=C(O)C1CCCC2=C1C=CS2 Z1021396634 [0,0,0,1,1,0|1,0,0]=3 703 B13R2.5569 O=C(O)C1CCCC2=C1C=NN2 Z1322269332 [0,0,0,1,1,0|2,0,0]=4 704 B13R2.5569 O=C(O)C1CCCC2=C1N=CN2 Z1216829004 [0,0,0,1,1,0|2,0,0]=4 705 B13R2.5569 O=C(O)C1CCCC2=C1N=CS2 Z1649764913 [0,0,0,1,1,0|2,0,0]=4 706 B13R2.5569 O=C(O)C1CCCC2=CC=NN12 Z1504670144 [0,0,0,1,1,0|2,0,0]=4 707 B13R2.5569 O=C(O)C1CCCN2C1=CC=N2 Z1504685302 [0,0,0,1,1,0|2,0,0]=4 708 B13R2.5569 O=C(O)C1NCCC2=C1C=CO2 Z2678024886 [0,0,0,1,1,0|2,0,0]=4 709 B13R2.5569 O=C(O)C1NCCC2=C1C=CS2 Z979420372 [0,0,0,1,1,0|2,0,0]=4 710 B13R2.5569 O=C(O)C1NCCC2=C1SC=C2 Z2738576691 [0,0,0,1,1,0|2,0,0]=4 711 B13R2.5569 O=C(O)C1SCCC2=C1C=CS2 Z1269763234 [0,0,0,1,1,0|2,0,0]=4 712 B15R2.6 C=C(Cl)CNC1CCC2=C1C=CC=C2 Z600439960 [0,0,0,1,0,1|2,0,0]=4 713 B15R2.6 CC(=O)NCC1CCC2=C1C=CC=C2 Z1173241291 [0,0,0,1,0,1|1,0,0]=3 714 B15R2.6 NC(=O)NCC1CSC2=C1C=CC=C2 Z2352559472 [0,0,0,1,0,1|2,0,0]=4 715 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [0,0,0,1,0,1|0,0,1]=3 716 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,1,0,1|0,0,2]=4 717 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [0,0,0,1,0,1|0,0,2]=4 718 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [0,0,0,1,0,1|0,0,0]=2 719 B15R2.6 O=C(O)CCN1C=CC2=C1C=CC=C2 Z57316204 [0,0,0,1,0,1|0,0,2]=4 720 B15R2.6 O=C(O)CCN1N=CC2=C1C=CC=C2 Z57070422 [0,0,0,1,0,1|1,0,1]=4 721 B15R2.31 O=C1CC(CCN1)CC2=CC=CC=C2 Z1509151018 [0,0,0,1,0,1|1,0,0]=3 722 B15R2.31 O=C1CCCN(C1)CC2=CC=CC=C2 Z381430294 [0,0,0,1,0,1|1,0,0]=3 723 B15R2.31 O=C1CN(CCN1)CC2=CC=CC=C2 Z46334767 [0,0,0,1,0,1|2,0,0]=4 724 B15R2.31 O=C1COCC(N1)CC2=CC=CC=C2 Z1509178975 [0,0,0,1,0,1|1,0,0]=3 725 B15R2.31 OC1CCCN(C1)CC2=CC=CC=C2 Z54753361 [0,0,0,1,0,1|1,0,1]=4 726 B15R2.63 NC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2301542050 [0,0,0,1,0,1|1,0,0]=3 727 B15R2.63 O=C(O)C1=C(CCC1)C2=CC=CC=C2 Z1262513359 [0,0,0,1,0,1|0,0,1]=3 728 B15R2.63 O=C(O)C1CCCC1C2=CC=CC=C2 Z1255486781 [0,0,0,1,0,1|0,0,0]=2 729 B15R2.63 O=C(O)C1CCCN1C2=CC=CC=C2 Z1416174150 [0,0,0,1,0,1|0,0,0]=2 730 B15R2.63 O=C(O)C1CCCN1C2=NC=CC=N2 Z275027016 [0,0,0,1,0,1|2,0,0]=4 731 B15R2.63 O=C(O)C1CCCN1C2=NC=CN=C2 Z275027012 [0,0,0,1,0,1|2,0,0]=4 732 B15R2.63 O=C(O)C1CCNC1C2=CC=CC=C2 Z2234185678 [0,0,0,1,0,1|0,0,0]=2 733 B15R2.63 O=C(O)[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z2306980862 [0,0,0,1,0,1|0,0,0]=2 734 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2309893016 [0,0,0,1,0,1|0,0,0]=2 735 B15R2.63 O=C(O)[C@@H]1CCO[C@H]1C2=CC=NC=C2 Z2311280998 [0,0,0,1,0,1|1,0,0]=3 736 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2306850629 [0,0,0,1,0,1|0,0,0]=2 737 B15R2.63 O=C(O)[C@@H]1CNC[C@H]1C2=CC=NC=C2 Z2306851221 [0,0,0,1,0,1|1,0,0]=3 738 B15R2.63 O=C(O)[C@@H]1CSC[C@H]1C2=CC=CC=C2 Z2429425592 [0,0,0,1,0,1|0,0,0]=2 739 B15R2.63 O=C(O)[C@@H]1NCC[C@H]1C2=CC=CC=C2 Z2568676758 [0,0,0,1,0,1|0,0,0]=2 740 B15R2.63 O=C(O)[C@@H]1OCC[C@@H]1C2=CC=CC=C2 Z2309897757 [0,0,0,1,0,1|0,0,0]=2 741 B15R2.283 O=C1CCN(C1)CCC2=CC=CC=C2 Z415646538 [0,0,0,1,0,1|1,0,0]=3 742 B15R2.283 O=C1NC(CO1)CCC2=CC=CC=C2 Z1266873591 [0,0,0,1,0,1|1,0,0]=3 743 B15R2.283 O=C1NN=C(O1)CCC2=CC=CC=C2 Z1206171716 [0,0,0,1,0,1|1,0,1]=4 744 B15R2.283 OC1CCC(C1)OCC2=CC=CC=C2 Z1336620217 [0,0,0,1,0,1|1,0,1]=4 745 B15R2.465 O=S1(=O)NCCCC1C2=CC=CC=C2 Z2867460964 [0,0,0,1,0,1|1,0,1]=4 746 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,0,0,1,0,1|2,0,0]=4 747 B15R2.543 O=C1CCCCC(C1)C2=CC=CC=C2 Z1233209527 [0,0,0,1,0,1|1,0,0]=3 748 B15R2.543 O=C1CN(CCCN1)C2=CC=CC=C2 Z1483802566 [0,0,0,1,0,1|2,0,0]=4 749 B15R2.543 OC1CCCCC(C1)C2=CC=CC=C2 Z1557400134 [0,0,0,1,0,1|1,0,1]=4 750 B15R2.1241 O=C(O)C1CCN1CC2=CC=CC=C2 Z1201622714 [0,0,0,1,0,1|0,0,0]=2 751 B15R2.1241 O=C(O)[C@@H]1CC[C@@H]1CC2=CC=CC=C2 Z3690696002 [0,0,0,1,0,1|0,0,0]=2 752 B15R2.4226 C1=CC=C(C=C1)COCCCC2CO2 Z1504686352 [0,0,0,1,0,1|1,0,1]=4 753 B15R2.68122 CC(=O)NC1CCSC2=C1C=CC=C2 Z73330046 [0,0,0,1,0,1|2,0,0]=4 754 B15R2.68122 N=C(N)CC1CCCC2=C1C=CC=C2 Z1380033014 [0,0,0,1,0,1|2,0,0]=4 755 B15R2.68122 NC(=O)CN1CCCC2=C1C=CC=C2 Z54752127 [0,0,0,1,0,1|1,0,0]=3 756 B15R2.68122 NC(=O)NC1CCCC2=C1C=CC=C2 Z198194414 [0,0,0,1,0,1|1,0,0]=3 757 B15R2.68122 NC(=O)NC1COCC2=C1C=CC=C2 Z4130782024 [0,0,0,1,0,1|2,0,0]=4 758 B15R2.68122 NC(=S)NC1CCCC2=C1C=CC=C2 Z445135488 [0,0,0,1,0,1|1,1,0]=4 759 B15R2.68122 O=C(O)/C=C\1/CCOC2=C1C=CC=C2 Z352748474 [0,0,0,1,0,1|0,0,2]=4 760 B15R2.68122 O=C(O)CC1CCCC2=C1C=CC=C2 Z352783024 [0,0,0,1,0,1|0,0,0]=2 761 B15R2.68122 O=C(O)CC1CCNC2=C1C=CC=C2 Z3071178982 [0,0,0,1,0,1|0,0,0]=2 762 B15R2.68122 O=C(O)CC1CCOC2=C1C=CC=C2 Z352783086 [0,0,0,1,0,1|0,0,0]=2 763 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 Z1278581695 [0,0,0,1,0,1|0,0,0]=2 764 B15R2.68122 O=C(O)CC1OCCC2=C1C=CC=C2 Z1098340600 [0,0,0,1,0,1|0,0,0]=2 765 B15R2.68122 O=C(O)C[C@@H]1CCCC2=C1C=CC=C2 Z1262527526 [0,0,0,1,0,1|0,0,0]=2 766 B15R2.68122 O=C(O)C[C@H]1CCCC2=C1C=CC=C2 Z1262518724 [0,0,0,1,0,1|0,0,0]=2 767 B15R2.69183 CC(=O)N1CCCNC2=C1C=CC=C2 Z1250184772 [0,0,0,1,0,1|2,0,0]=4 768 B15R2.69183 CC(=O)N1CCCSC2=C1C=CC=C2 Z52078939 [0,0,0,1,0,1|2,0,0]=4 769 B15R2.69183 NC(=O)C1NCCOC2=C1C=CC=C2 Z1347942336 [0,0,0,1,0,1|2,0,0]=4 770 B15R2.69183 O=C(O)C1CCCCC2=C1C=CC=C2 Z792377252 [0,0,0,1,0,1|0,0,0]=2 771 B15R2.69183 O=C(O)C1NCCOC2=C1C=CC=C2 Z2895740085 [0,0,0,1,0,1|1,0,0]=3 772 B15R2.30 NC1=CC(=CC=C1)C2CCCC(=O)N2 Z2754870257 [0,1,0,1,0,0|1,0,0]=3 773 B15R2.30 O=C1CCCC(C1)C2=CC=CC(=C2)Cl Z1233207245 [0,1,0,1,0,0|1,0,0]=3 774 B15R2.377 O=C(O)CC1CCC2=C1C=CC(=C2)Br Z1269123210 [0,1,0,1,0,0|0,0,0]=2 775 B15R2.377 O=C(O)CC1COC2=C1C=CC(=C2)O Z1255374187 [0,1,0,1,0,0|1,0,0]=3 776 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)Br Z385455852 [0,1,0,1,0,0|2,0,0]=4 777 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)C Z28078709 [0,1,0,1,0,0|2,0,0]=4 778 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)Cl Z364168150 [0,1,0,1,0,0|2,0,0]=4 779 B15R2.384 CC(=O)N1CCCC2=C1C=CC(=C2)N Z1162448830 [0,1,0,1,0,0|2,0,0]=4 780 B15R2.384 O=C(O)C1CCCC2=C1C=CC(=C2)O Z1198180630 [0,1,0,1,0,0|0,0,0]=2 781 B15R2.384 O=C(O)C1CCNC2=C1C=CC(=C2)F Z1813203688 [0,1,0,1,0,0|1,0,0]=3 782 B15R2.384 O=C(O)C1CNCC2=C1C=CC(=C2)Cl Z2442004959 [0,1,0,1,0,0|1,0,0]=3 783 B15R2.384 O=C(O)C1NCCC2=C1C=CC(=C2)Br Z3417146620 [0,1,0,1,0,0|1,0,0]=3 784 B15R2.384 O=C(O)C1NCCC2=C1C=CC(=C2)F Z3251692231 [0,1,0,1,0,0|1,0,0]=3 785 B15R2.384 O=C(O)C1OCCC2=C1C=CC(=C2)Br Z4539092802 [0,1,0,1,0,0|1,0,0]=3 786 B15R2.1115 O=C1CCC(O1)CC2=CC=CC(=C2)O Z1342095237 [0,1,0,1,0,0|0,0,0]=2 787 B15R2.1115 O=C1NCC(O1)CC2=CC=CC(=C2)F Z1509163663 [0,1,0,1,0,0|1,0,0]=3 788 B15R2.7151 O=C(O)C1CC1CC2=CC(=CC=C2)Br Z2733533556 [0,1,0,1,0,0|0,0,0]=2 789 B15R2.1237 O=C(O)C1CCCC2=C(C1)C=CC=C2 Z1262536404 [0,1,0,1,0,0|0,0,0]=2 790 B15R2.1237 O=C(O)C1CCNC2=C(C1)C=CC=C2 Z3768005323 [0,1,0,1,0,0|1,0,0]=3 791 B15R2.1660 NC(=O)CNC1CC2=C(C1)C=CC=C2 Z425812760 [0,1,0,1,0,0|2,0,0]=4 792 B15R2.1660 O=C(O)CCC1=CC2=C(O1)C=CC=C2 Z137628830 [0,1,0,1,0,0|0,0,2]=4 793 B15R2.1660 O=C(O)CCC1=NC2=C(N1)C=CC=C2 Z57115077 [0,1,0,1,0,0|1,0,1]=4 794 B15R2.1660 O=C(O)CCC1=NC2=C(O1)C=CC=C2 Z57990849 [0,1,0,1,0,0|1,0,1]=4 795 B15R2.1660 O=C(O)CCC1=NC2=C(S1)C=CC=C2 Z56867230 [0,1,0,1,0,0|1,0,1]=4 796 B15R2.1660 O=C(O)CCN1CC2=C(C1)C=CC=C2 Z1459994185 [0,1,0,1,0,0|1,0,0]=3 797 B15R2.1660 O=C(O)CNC1CC2=C(C1)C=CC=C2 Z425813460 [0,1,0,1,0,0|1,0,0]=3 798 B15R2.1668 NC(=O)CN1CCC2=C(C1)C=CC=C2 Z54752169 [0,1,0,1,0,0|2,0,0]=4 799 B15R2.1668 O=C(O)CC1CCC2=C(C1)C=CC=C2 Z489292414 [0,1,0,1,0,0|0,0,0]=2 800 B15R2.1668 O=C(O)CC1CCC2=C(N1)C=CC=C2 Z3351996611 [0,1,0,1,0,0|0,0,0]=2 801 B15R2.1668 O=C(O)CC1CNC2=C(S1)C=CC=C2 Z368412990 [0,1,0,1,0,0|1,0,0]=3 802 B15R2.1668 O=C(O)CC1COC2=C(O1)C=CC=C2 Z1198164044 [0,1,0,1,0,0|1,0,0]=3 803 B15R2.1668 O=C(O)CC1CSC2=C(O1)C=CC=C2 Z1508956602 [0,1,0,1,0,0|1,0,0]=3 804 B15R2.13587 CC(=O)NC1CCC2=C(C=CC=C12)Br Z1081318212 [0,1,0,1,0,0|2,0,0]=4 805 B15R2.13611 CC1=C2CCNC(C2=CC=C1)C(=O)O Z1262396064 [0,1,0,1,0,0|1,0,0]=3 806 B15R2.13611 CC1=C2CCOC(C2=CC=C1)C(=O)O Z1198162205 [0,1,0,1,0,0|1,0,0]=3 807 B15R2.13611 O=C(O)C1CCCC2=C1C=CC=C2O Z1262555762 [0,1,0,1,0,0|0,0,0]=2 808 B15R2.13611 O=C(O)C1CCOC2=C1C=CC=C2F Z1255463583 [0,1,0,1,0,0|1,0,0]=3 809 B15R2.13611 O=C(O)C1OCCC2=C1C=CC=C2Br Z1813101017 [0,1,0,1,0,0|1,0,0]=3 810 B15R2.13611 O=C(O)C1OCCC2=C1C=CC=C2O Z4539118606 [0,1,0,1,0,0|1,0,0]=3 811 B15R2.59 NC(=O)C1CC(CN1)C2=CC=CC=C2 Z3102427689 [0,1,0,1,0,0|2,0,0]=4 812 B15R2.59 NC(=O)N1CCC(C1)C2=CC=CC=C2 Z940555700 [0,1,0,1,0,0|2,0,0]=4 813 B15R2.59 NC(=O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z2053902363 [0,1,0,1,0,0|1,0,0]=3 814 B15R2.59 O=C(O)C1CCC(C1)C2=CC=CC=C2 Z1255391877 [0,1,0,1,0,0|0,0,0]=2 815 B15R2.59 O=C(O)C1CCN(C1)C2=CC=CC=C2 Z1198235403 [0,1,0,1,0,0|1,0,0]=3 816 B15R2.59 O=C(O)C1CCN(C1)C2=CC=NC=C2 Z2379902227 [0,1,0,1,0,0|2,0,0]=4 817 B15R2.59 O=C(O)C1CSC(N1)C2=CC=CC=C2 Z197509452 [0,1,0,1,0,0|1,0,0]=3 818 B15R2.59 O=C(O)C1CSC(N1)C2=CC=NC=C2 Z275466112 [0,1,0,1,0,0|2,0,0]=4 819 B15R2.59 O=C(O)[C@@H]1CC[C@@H](O1)C2=CC=CC=C2 Z2309988547 [0,1,0,1,0,0|0,0,0]=2 820 B15R2.59 O=C(O)[C@@H]1CC[C@H](C1)C2=CC=CC=C2 Z2620379353 [0,1,0,1,0,0|0,0,0]=2 821 B15R2.59 O=C(O)[C@@H]1CSC(=N1)C2=CC=CC=C2 Z1269209114 [0,1,0,1,0,0|1,0,1]=4 822 B15R2.59 O=C(O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z1861964101 [0,1,0,1,0,0|0,0,0]=2 823 B15R2.297 CC(C1=CC=CC=C1)N2CCC(=O)C2 Z415646508 [0,1,0,1,0,0|2,0,0]=4 824 B15R2.550 O=C1CCCC(=O)C2=C(N1)C=CC=C2 Z1509146278 [0,1,0,1,0,0|1,0,1]=4 825 B15R2.1113 CC1(COCC(=O)N1)C2=CC=CC=C2 Z1551950376 [0,1,0,1,0,0|2,0,0]=4 826 B15R2.1224 CC(=O)N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z1509234376 [0,1,0,1,0,0|2,0,0]=4 827 B15R2.14628 CC(=O)N1CCC(C2=C1C=CC=C2)N Z1222332816 [0,1,0,1,0,0|2,0,0]=4 828 B15R2.14628 CC(=O)N1CCC(C2=C1C=CC=C2)O Z1222335819 [0,1,0,1,0,0|2,0,0]=4 829 B15R2.14628 CN1CCC(C2=C1C=CC=C2)C(=O)O Z445746200 [0,1,0,1,0,0|1,0,0]=3 830 B15R2.14628 NC1CCC(C2=C1C=CC=C2)C(=O)O Z3083056441 [0,1,0,1,0,0|0,0,0]=2 831 B15R2.14628 O=C1CCC(C2=C1C=CC=C2)C(=O)O Z1198151699 [0,1,0,1,0,0|0,0,1]=3 832 B15R2.16289 O=C(C1=CC=CC=C1)[C@H]2C[C@H]2C(=O)O Z2306780280 [0,1,0,1,0,0|0,0,1]=3 833 B15R2.53147 O=C(O)CC1CC(=O)C2=C1C=CC=C2 Z1255486798 [0,1,0,1,0,0|0,0,1]=3 834 B15R2.53147 O=C(O)CC1NC(=O)C2=C1C=CC=C2 Z1198153244 [0,1,0,1,0,0|1,0,1]=4 835 B15R2.53147 O=C(O)CC1OB(C2=C1C=CC=C2)O Z1262523998 [0,1,0,1,0,0|2,0,0]=4 836 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 Z57055800 [0,1,0,1,0,0|1,0,1]=4 837 B15R2.65988 NC1CCCS(=O)(=O)C2=C1C=CC=C2 Z384973812 [0,1,0,1,0,0|1,0,1]=4 838 B15R2.65988 O=S1(=O)CCCC(C2=C1C=CC=C2)O Z237523340 [0,1,0,1,0,0|1,0,1]=4 839 B15R2.29 O=C1CCC(CC1)CC2=CC=CC=C2 Z1201626930 [0,1,0,1,0,0|1,0,0]=3 840 B15R2.29 O=C1CCC(CN1)CC2=CC=CC=C2 Z1509334089 [0,1,0,1,0,0|1,0,0]=3 841 B15R2.29 O=C1CCN(CC1)CC2=CC=CC=C2 Z54749061 [0,1,0,1,0,0|2,0,0]=4 842 B15R2.33 CN1CCC(=O)CC1C2=CC=CC=C2 Z1198183724 [0,1,0,1,0,0|2,0,0]=4 843 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CC=C2 Z1262629795 [0,1,0,1,0,0|1,0,0]=3 844 B15R2.988 CC(=O)N1CC(CC2=C1C=CC=C2)C Z1129471588 [0,1,0,1,0,0|2,0,0]=4 845 B15R2.988 C[C@@H]1C[C@@H](C2=C(N1)C=CC=C2)C(=O)O Z2768512000 [0,1,0,1,0,0|1,0,0]=3 846 B15R2.988 O=C1CC(C2=C(N1)C=CC=C2)C(=O)O Z221425988 [0,1,0,1,0,0|1,0,1]=4 847 B15R2.993 CC(=O)N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z1509181971 [0,1,0,1,0,0|2,0,0]=4 848 B15R2.993 CC(=O)N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z2378832677 [0,1,0,1,0,0|2,0,0]=4 849 B15R2.993 CC1CC2=C(N1CC(=O)N)C=CC=C2 Z54847173 [0,1,0,1,0,0|2,0,0]=4 850 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [0,1,0,1,0,0|1,0,1]=4 851 B15R2.993 O=C(O)CN1C(=O)CC2=C1C=CC=C2 Z234897271 [0,1,0,1,0,0|1,0,1]=4 852 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)Br Z2733524040 [0,1,0,1,0,0|1,0,0]=3 853 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)O Z2732663057 [0,1,0,1,0,0|1,0,0]=3 854 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O Z1342098214 [0,1,0,1,0,0|0,0,0]=2 855 B15R2.98 O=C1N[C@@H](CO1)CC2=CC=C(C=C2)O Z220564166 [0,1,0,1,0,0|2,0,0]=4 856 B15R2.7268 CC(=O)N1CCCC2=C1C=C(C=C2)N Z970061134 [0,1,0,1,0,0|2,0,0]=4 857 B15R2.7268 O=C(O)C1CCNC2=C1C=C(C=C2)O Z5880427438 [0,1,0,1,0,0|1,0,0]=3 858 B15R2.7268 O=C(O)C1CCOC2=C1C=C(C=C2)Br Z1450923247 [0,1,0,1,0,0|1,0,0]=3 859 B15R2.7268 O=C(O)C1CCOC2=C1C=C(C=C2)Cl Z1269185764 [0,1,0,1,0,0|1,0,0]=3 860 B15R2.7268 O=C(O)C1NCCC2=C1C=C(C=C2)Br Z3688904955 [0,1,0,1,0,0|1,0,0]=3 861 B15R2.9410 CC(=O)NC1CCC2=C1C=C(C=C2)C Z1144325524 [0,1,0,1,0,0|2,0,0]=4 862 B15R2.9410 O=C(O)CC1CCC2=C1C=C(C=C2)O Z1486008032 [0,1,0,1,0,0|0,0,0]=2 863 B15R2.9410 O=C([O-])CC1CNC2=C1C=C(C=C2)Br Z4135118208 [0,1,0,1,0,0|1,0,1]=4 864 B15R2.4 C=CC(=O)NC1CCC2=C1C=CC=C2 Z445136146 [0,1,0,1,0,0|2,0,0]=4 865 B15R2.4 C=CC(=O)N[C@@H]1CCC2=C1C=CC=C2 Z2738282639 [0,1,0,1,0,0|2,0,0]=4 866 B15R2.4 CCC(=O)NC1CCC2=C1C=CC=C2 Z195313604 [0,1,0,1,0,0|2,0,0]=4 867 B15R2.4 COC(=O)CC1CNC2=C1C=CC=C2 Z979710660 [0,1,0,1,0,0|1,0,0]=3 868 B15R2.15 O/N=C\1/CCN(C1)CC2=CC=CC=C2 Z217709970 [0,1,0,1,0,0|2,0,0]=4 869 B15R2.17 O=CC1CCCC(C1)C2=CC=CC=C2 Z1511826280 [0,1,0,1,0,0|1,0,1]=4 870 B15R2.1621 C=CC(=O)N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z3788931109 [0,1,0,1,0,0|2,0,0]=4 871 B15R2.1621 C=CC(=O)N[C@@H]1C[C@H]1C2=CC=CC=C2 Z1509353116 [0,1,0,1,0,0|2,0,0]=4 872 B15R2.1621 C=CC(=O)N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2738282641 [0,1,0,1,0,0|2,0,0]=4 873 B15R2.4083 O=C1CCN(C1=O)CC2=CC=CC=C2 Z825513092 [0,1,0,1,0,0|1,0,1]=4 874 B15R2.79765 C=CC(=O)N1CCCC2=C1C=CC=C2 Z440633624 [0,1,0,1,0,0|2,0,0]=4 875 B15R2.79765 CNC(=O)C1CCCC2=C1C=CC=C2 Z300243698 [0,1,0,1,0,0|1,0,0]=3 876 B15R2.79765 COC(=O)C1CCCC2=C1C=CC=C2 Z308244414 [0,1,0,1,0,0|0,0,0]=2 877 B15R2.79765 COC(=O)C1CCNC2=C1C=CC=C2 Z1255403943 [0,1,0,1,0,0|1,0,0]=3 878 B15R2.79765 COC(=O)C1CCOC2=C1C=CC=C2 Z1100261897 [0,1,0,1,0,0|1,0,0]=3 879 B15R2.79765 COC(=O)C1CNCC2=C1C=CC=C2 Z2234170006 [0,1,0,1,0,0|1,0,0]=3 880 B15R2.79765 COC(=O)C1NCCC2=C1C=CC=C2 Z1276757443 [0,1,0,1,0,0|1,0,0]=3 881 B15R2.79765 NCC(=O)N1CCCC2=C1C=CC=C2 Z818732120 [0,1,0,1,0,0|2,0,0]=4 882 B15R2.79765 O=C(CCl)N1CCCC2=C1C=CC=C2 Z56896325 [0,1,0,1,0,0|2,0,0]=4 883 B15R2.79765 O=C(CO)N1CCCC2=C1C=CC=C2 Z228585450 [0,1,0,1,0,0|1,0,0]=3 884 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [0,1,0,1,0,0|1,0,0]=3 885 B15R2.325 CC1CC(=O)CN1CC2=CC=CC=C2 Z1386896522 [0,1,0,1,0,0|2,0,0]=4 886 B15R2.1162 CC(=O)N1C2=C(C=CC=C2)CCC1C Z28870646 [0,1,0,1,0,0|2,0,0]=4 887 B15R2.1162 CC1COC2=C(C1C(=O)O)C=CC=C2 Z1661242457 [0,1,0,1,0,0|1,0,0]=3 888 B15R2.109477 NS(=O)(=O)C1CCCC2=C1C=CC=C2 Z954606546 [0,1,0,1,0,0|1,0,1]=4 889 B15R2.1255 CC(C(=O)N)N1CCC2=C1C=CC=C2 Z54750516 [0,1,0,1,0,0|2,0,0]=4 890 B15R2.1255 CC(C(=O)[O-])N1CCC2=C1C=CC=C2 Z1501469843 [0,1,0,1,0,0|1,0,1]=4 891 B15R2.1255 NC(C(=O)O)C1CCC2=C1C=CC=C2 Z3267202784 [0,1,0,1,0,0|0,0,0]=2 892 B15R2.16364 CC1(CCCC2=C1C=CC=C2)C(=O)O Z234897187 [0,1,0,1,0,0|0,0,0]=2 893 B15R2.16364 CC1(CCOC2=C1C=CC=C2)C(=O)O Z1259316423 [0,1,0,1,0,0|1,0,0]=3 894 B15R2.16364 CC1(OCCC2=C1C=CC=C2)C(=O)O Z875079792 [0,1,0,1,0,0|1,0,0]=3 895 B15R2.16364 NC1(CCCC2=C1C=CN=C2)C(=O)[O-] Z2888802785 [0,1,0,1,0,0|1,0,1]=4 896 B15R2.16364 NC1(CCOC2=C1C=CC=C2)C(=O)O Z317024734 [0,1,0,1,0,0|1,0,0]=3 897 B15R3.2013 O=C1CN2CCC1C3=C2C=CC=C3 Z1513599173 [0,0,0,2,0,0|2,0,0]=4 898 B15R3.1743 C1=CC2=C(C=C1)C(CCC2)C3CO3 Z3271409277 [0,0,0,2,0,0|1,0,1]=4 899 B15R3.14759 O=C1CC2=C3N1CCCC3=CC=C2 Z1198181116 [0,0,0,2,0,0|2,0,0]=4 900 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,0,0,0,2,0|2,0,0]=4 901 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,0,0,0,2,0|2,0,0]=4 902 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,0,0,0,2,0|2,0,0]=4 903 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,0,0,0,2,0|2,0,0]=4 904 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,0,0,0,2,0|1,0,0]=3 905 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,0,0,0,2,0|2,0,0]=4 906 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,0,0,0,2,0|2,0,0]=4 907 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,0,0,0,2,0|2,0,0]=4 908 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,0,0,0,2,0|2,0,0]=4 909 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,0,0,0,2,0|2,0,0]=4 910 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,0,0,0,2,0|2,0,0]=4 911 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,0,0,0,2,0|1,1,0]=4 912 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 Z104474406 [0,0,0,0,2,0|0,0,2]=4 913 B11R1.91 O=C(O)C#CC1=CC=CC=C1 Z271128592 [0,0,0,0,2,0|0,0,2]=4 914 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,0,0,0,2,0|0,0,0]=2 915 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,0,0,0,2,0|1,0,0]=3 916 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,0,0,0,2,0|1,0,0]=3 917 B11R1.91 O=C(O)CCC1=CN=CN=C1 Z1198279878 [0,0,0,0,2,0|2,0,0]=4 918 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,0,0,0,2,0|1,0,0]=3 919 B11R1.91 O=C(O)CCC1=NC=CC=N1 Z1255372831 [0,0,0,0,2,0|2,0,0]=4 920 B11R1.91 O=C(O)CCC1=NC=CN=C1 Z1198184629 [0,0,0,0,2,0|2,0,0]=4 921 B11R1.91 O=C(O)CCC1=NC=NC=C1 Z1184882132 [0,0,0,0,2,0|2,0,0]=4 922 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,0,0,0,2,0|1,0,0]=3 923 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [0,0,0,0,2,0|2,0,0]=4 924 B11R1.91 O=C(O)CNC1=CN=CC=C1 Z3058782338 [0,0,0,0,2,0|2,0,0]=4 925 B11R1.91 O=C(O)CNC1=NC=CC=C1 Z2470036492 [0,0,0,0,2,0|2,0,0]=4 926 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,0,0,0,2,0|1,0,0]=3 927 B11R1.91 O=C(O)COC1=CN=CC=C1 Z1171978878 [0,0,0,0,2,0|2,0,0]=4 928 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,0,0,0,2,0|1,0,0]=3 929 B11R1.91 O=C(O)CSC1=CC=NC=C1 Z104479390 [0,0,0,0,2,0|2,0,0]=4 930 B11R1.91 O=C(O)CSC1=NC=CC=C1 Z31205663 [0,0,0,0,2,0|2,0,0]=4 931 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,0,0,0,2,0|1,0,1]=4 932 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,0,0,0,2,0|1,0,1]=4 933 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,0,0,2,0|1,0,0]=3 934 B11R1.172 O=C(O)CCCC1=NC=CO1 Z1262554930 [0,0,0,0,2,0|2,0,0]=4 935 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,0,0,2,0|1,0,0]=3 936 B11R1.172 O=C(O)CCCN1C=CC=N1 Z285049638 [0,0,0,0,2,0|2,0,0]=4 937 B11R1.172 O=C(O)CCCN1C=CN=C1 Z285049642 [0,0,0,0,2,0|2,0,0]=4 938 B11R1.172 O=C(O)CSCC1=CC=CS1 Z57983103 [0,0,0,0,2,0|2,0,0]=4 939 B11R1.172 O=C(O)CSCC1=CSC=C1 Z107334134 [0,0,0,0,2,0|2,0,0]=4 940 B15R1.504 N=C(N)NCCCCCC1=CC=CC=C1 Z1117843679 [0,0,0,0,0,2|2,0,0]=4 941 B15R1.504 O=C(O)CCCCC#CC1=CC=CC=C1 Z1508922384 [0,0,0,0,0,2|0,0,0]=2 942 B15R1.504 O=C(O)CCCNCCC1=CC=CC=C1 Z600428434 [0,0,0,0,0,2|0,0,0]=2 943 B15R1.504 O=C(O)CCCOCCC1=CC=CC=C1 Z362795662 [0,0,0,0,0,2|0,0,0]=2