0 B14R1.156 C#CCNC(=O)/C=C/C1=CN=CC=C1 Z284120674 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.156 C#CCNC(=O)CCC1=CC=CC=C1 Z52404020 [0,0,0,0,0,0|1,0,3]=4 2 B14R1.156 C#CCNC(=O)COC1=CC=CC=C1 Z52404201 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.156 C#CCNC(=O)NCC1=CC=CC=C1 Z166726184 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 Z193021306 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.156 C=CCNC(=O)/C=C/C1=CC=CC=C1 Z32064585 [0,0,0,0,0,0|1,0,1]=2 6 B14R1.156 C=CCNC(=O)CCC1=CC=CC=C1 Z32064610 [0,0,0,0,0,0|1,0,3]=4 7 B14R1.156 C=CCNC(=O)COC1=CC=CC=C1 Z19735433 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.156 CCCNC(=O)CSC1=CC=CC=C1 Z19750894 [0,0,0,0,0,0|2,0,1]=3 9 B14R1.156 CCONC(=O)CCC1=CC=CC=C1 Z281499448 [0,0,0,0,0,0|2,0,2]=4 10 B14R1.156 N#CCNC(=O)CCC1=CC=CC=C1 Z600498292 [0,0,0,0,0,0|1,0,3]=4 11 B14R1.156 N#CCNC(=O)COC1=CC=CC=C1 Z600498220 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.156 N#CCNC(=O)OCC1=CC=CC=C1 Z1255386820 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.156 NCCCC(=O)OCC1=CC=CC=C1 Z2943527868 [0,0,0,0,0,0|3,0,1]=4 14 B14R1.156 NCCNC(=O)COC1=CC=CC=C1 Z381061494 [0,0,0,0,0,0|2,0,1]=3 15 B14R1.156 NCCNC(=O)NCC1=NC=CC=C1 Z5409054586 [0,0,0,0,0,0|3,0,1]=4 16 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 Z1741979610 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.156 O=C(/C=C/C1=CC=CC=C1)NCCO Z2681891576 [0,0,0,0,0,0|0,0,0]=0 18 B14R1.156 O=C(CCC1=CC=CC=C1)NCCO Z31725258 [0,0,0,0,0,0|0,0,2]=2 19 B14R1.156 O=C(NCC1=CC=CC=C1)OCCO Z1198155419 [0,0,0,0,0,0|2,0,1]=3 20 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 Z31725823 [0,0,0,0,0,0|1,0,1]=2 21 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 Z44585735 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.42 CCOC(=O)/C=C/C1=CC=CC=C1 Z53834692 [1,0,0,0,0,0|1,0,0]=2 25 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.42 CONC(=O)CCC1=CC=CC=C1 Z254325116 [1,0,0,0,0,0|1,0,2]=4 27 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 Z285214492 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [1,0,0,0,0,0|2,0,1]=4 29 B15R1.78 CCCCNC(=O)/C=C/C1=NC=CC=C1 Z734648508 [0,1,0,0,0,0|2,0,0]=3 30 B15R1.78 CCCCNC(=O)CSC1=CC=CC=C1 Z19750824 [0,1,0,0,0,0|2,0,1]=4 31 B15R1.78 COCCNC(=O)/C=C/C1=CC=CC=C1 Z31438089 [0,1,0,0,0,0|0,0,0]=1 32 B15R1.78 COCCNC(=O)CNC1=CC=CC=C1 Z52830743 [0,1,0,0,0,0|1,0,1]=3 33 B15R1.78 O=C(CCC1=CC=CC=C1)NCCCO Z68223340 [0,1,0,0,0,0|0,0,2]=3 34 B15R1.78 OCCCNC(=S)NCC1=CC=CC=C1 Z45808332 [0,1,0,0,0,0|1,1,1]=4 35 B15R1.115 CCCNC(=O)CN(C)C1=CC=CC=C1 Z54748463 [0,1,0,0,0,0|2,0,1]=4 36 B15R1.127 CCCNC(=O)NNC1=CC(=CC=C1)C Z44597713 [0,1,0,0,0,0|3,0,0]=4 37 B15R1.139 CC1=CC=C(C=C1)CCC(=O)NCCO Z194856678 [0,1,0,0,0,0|0,0,2]=3 38 B15R1.139 CC1=CC=C(C=C1)CNC(=O)NCCO Z299658950 [0,1,0,0,0,0|1,0,1]=3 39 B15R1.139 CCCNC(=O)/C=C/C1=CC=C(C=C1)F Z33030769 [0,1,0,0,0,0|1,0,0]=2 40 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)C Z192605382 [0,1,0,0,0,0|1,0,2]=4 41 B15R1.139 CCCNC(=O)CSC1=CC=C(C=C1)F Z16034325 [0,1,0,0,0,0|2,0,1]=4 42 B15R1.139 CCCNC(=O)CSC1=CC=C(C=C1)O Z733875534 [0,1,0,0,0,0|2,0,1]=4 43 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)C Z44616613 [0,1,0,0,0,0|2,0,1]=4 44 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)Cl Z44585257 [0,1,0,0,0,0|2,0,1]=4 45 B15R1.139 CCCNC(=O)NNC1=CC=C(C=C1)F Z44603545 [0,1,0,0,0,0|3,0,0]=4 46 B15R1.551 CCCNC(=O)C(=O)NC1=CC=CC=C1 Z57317773 [0,1,0,0,0,0|2,0,0]=3 47 B15R1.741 CC(CO)NC(=O)NCC1=CC=CC=C1 Z332430596 [0,1,0,0,0,0|1,0,1]=3 48 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 Z353295958 [0,1,0,0,0,0|1,0,1]=3 49 B15R1.741 CCC(C)NC(=O)CCC1=CC=CC=C1 Z31442130 [0,1,0,0,0,0|1,0,2]=4 50 B15R1.741 CCC(C)NC(=O)NCC1=CC=CC=C1 Z123610172 [0,1,0,0,0,0|2,0,1]=4 51 B15R1.1208 C=CCNC(=O)/C=C/C1=C(C=CC=C1)Cl Z32064882 [0,1,0,0,0,0|1,0,1]=3 52 B15R1.1208 CCCNC(=O)CCC1=C(C=CC=C1)Cl Z33029438 [0,1,0,0,0,0|1,0,2]=4 53 B15R1.1208 O=C(CCC1=C(C=CC=C1)Br)NCCO Z605783116 [0,1,0,0,0,0|0,0,2]=3 54 B15R1.1208 O=C(CCN1C=CC=CC1=O)NCCO Z374359192 [0,1,0,0,0,0|1,0,2]=4 55 B15R1.5919 CC(C)CNC(=O)CCC1=CC=CC=C1 Z32385890 [0,1,0,0,0,0|1,0,2]=4 56 B15R1.5919 NC(=O)COC(=O)/C=C/C1=CC=CC=C1 Z19782661 [0,1,0,0,0,0|1,0,2]=4 57 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 Z56883153 [0,1,0,0,0,0|0,0,1]=2 58 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CN=CC=C1 Z2312404046 [0,1,0,0,0,0|1,0,1]=3 59 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 Z85886717 [0,1,0,0,0,0|0,0,3]=4 60 B15R1.5919 O=C(O)CNC(=O)COC1=CC=CC=C1 Z57044269 [0,1,0,0,0,0|1,0,2]=4 61 B15R1.5919 O=C(O)CNC(=O)OCC1=CC=CC=C1 Z285919546 [0,1,0,0,0,0|1,0,2]=4 62 B15R1.5934 C=CCNS(=O)(=O)/C=C/C1=CC=CC=C1 Z45529935 [0,1,0,0,0,0|2,0,1]=4 63 B15R1.5934 CCCNS(=O)(=O)/C=C/C1=CC=CC=C1 Z45545190 [0,1,0,0,0,0|2,0,0]=3 64 B15R1.5934 O=S(=O)(CCC1=CC=CC=C1)NCCO Z425749972 [0,1,0,0,0,0|1,0,2]=4 65 B15R2.38 O=C1NCCCC1CC2=CC=CC=C2 Z1255379456 [0,0,0,1,0,0|1,0,2]=4 66 B15R2.38 O=C1NCCCN1CC2=CC=CC=C2 Z1255447124 [0,0,0,1,0,0|2,0,1]=4 67 B15R2.38 O=C1NCCNC1CC2=CC=CC=C2 Z2238934540 [0,0,0,1,0,0|1,0,2]=4 68 B15R2.38 O=C1NCCSC1CC2=CC=CC=C2 Z1258578706 [0,0,0,1,0,0|0,1,2]=4 69 B15R2.352 BrCCOC1=CC2=C(C=CC=C2)C=C1 Z285922232 [0,0,0,1,0,0|3,0,0]=4 70 B15R2.352 NCCNC1=NC2=C(C=CC=C2)C=C1 Z802671684 [0,0,0,1,0,0|2,0,0]=3 71 B15R2.352 NCCOC1=CC2=C(C=CC=C2)C=C1 Z335451476 [0,0,0,1,0,0|3,0,0]=4 72 B15R2.352 OCCCC1=NC2=C(C=CC=C2)C=C1 Z1198265860 [0,0,0,1,0,0|2,0,0]=3 73 B15R2.352 OCCNC1=NC2=C(C=CC=C2)C=C1 Z31212267 [0,0,0,1,0,0|1,0,0]=2 74 B15R2.543 O=C1C=C(NCCN1)C2=CC=CC=C2 Z336080720 [0,0,0,1,0,0|1,0,0]=2 75 B15R2.543 O=C1C=C(NCCN1)C2=CN=CC=C2 Z2471612527 [0,0,0,1,0,0|2,0,0]=3 76 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,0,0,1,0,0|1,0,2]=4 77 B15R2.543 O=C1CN(CCCN1)C2=CC=CC=C2 Z1483802566 [0,0,0,1,0,0|2,0,1]=4 78 B15R2.9941 NCCN1C(=O)COC2=C1C=CC=C2 Z1695669928 [0,0,0,1,0,0|2,0,1]=4 79 B15R2.9941 O=C1COC2=C(N1CCO)C=CC=C2 Z425794444 [0,0,0,1,0,0|1,0,1]=3 80 B15R2.9941 O=C1NCC2=C(N1CCO)C=CC=C2 Z1127315179 [0,0,0,1,0,0|1,0,1]=3 81 B15R2.24490 O=C(CCC1=CC=CC=C1)N2CCC2 Z69031669 [0,0,0,1,0,0|1,0,2]=4 82 B15R2.24490 O=C(COC1=CC=CC=C1)N2CCC2 Z69031695 [0,0,0,1,0,0|2,0,1]=4 83 B15R2.24490 O=C(CSC1=CC=CC=C1)N2CCC2 Z69032595 [0,0,0,1,0,0|2,0,1]=4 84 B15R2.24490 O=C(OCC1=CC=CC=C1)N2CCC2 Z117067568 [0,0,0,1,0,0|2,0,1]=4 85 B15R2.24494 O=C(CNC1=CC=CC=C1)NC2CC2 Z52830497 [0,0,0,1,0,0|2,0,1]=4 86 B15R2.24494 O=C(CSC1=CC=CC=C1)NC2CC2 Z19751504 [0,0,0,1,0,0|2,0,1]=4 87 B13R1.44 C#CCNC(=O)NC1=CC=CC=C1 Z105755866 [0,0,0,0,1,0|2,0,1]=4 88 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 Z55295481 [0,0,0,0,1,0|2,0,1]=4 89 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 Z44586337 [0,0,0,0,1,0|2,0,0]=3 90 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 Z1449746694 [0,0,0,0,1,0|3,0,0]=4 91 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [0,0,0,0,1,0|1,0,1]=3 92 B13R1.44 NCCNC(=S)NC1=CC=CC=C1 Z56814594 [0,0,0,0,1,0|2,1,0]=4 93 B13R1.44 O=C(NCCO)OC1=CC=CC=C1 Z31725824 [0,0,0,0,1,0|1,0,0]=2 94 B13R1.153 C=CCNC(=O)/C=C/C1=CC=CS1 Z32064894 [0,0,0,0,1,0|2,0,1]=4 95 B13R1.153 O=C(/C=C/C1=CC=CS1)NCCO Z31725542 [0,0,0,0,1,0|1,0,0]=2 96 B15R1.157 CCCNC(=O)CCNC1=CC=CC=C1 Z337819288 [0,0,0,0,0,1|1,0,2]=4 97 B15R1.157 CCCNC(=O)CCSC1=CC=CC=C1 Z33031155 [0,0,0,0,0,1|1,0,2]=4 98 B15R1.157 NCCNC(=O)CCCC1=CC=CC=C1 Z1455674835 [0,0,0,0,0,1|1,0,2]=4 99 B15R1.157 NCCNC(=O)CCOC1=CC=CC=C1 Z1455673914 [0,0,0,0,0,1|1,0,2]=4 100 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [2,0,0,0,0,0|0,0,2]=4 101 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [2,0,0,0,0,0|0,0,2]=4 102 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [2,0,0,0,0,0|1,0,1]=4 104 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [2,0,0,0,0,0|1,0,1]=4 105 B12R1.27 COC(=O)/C=C/C1=CC=CC=C1 Z19782655 [2,0,0,0,0,0|1,0,0]=3 106 B12R1.27 COC(=O)/C=C/C1=CC=NC=C1 Z3226989482 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [2,0,0,0,0,0|1,0,1]=4 108 B14R1.38 O=C(CCNCCO)C1=CC=CC=C1 Z56770951 [1,1,0,0,0,0|0,0,2]=4 109 B14R1.123 OCCN/N=C/C=C/C1=CC=CC=C1 Z56850471 [1,1,0,0,0,0|0,0,0]=2 110 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 Z57055787 [1,1,0,0,0,0|1,0,1]=4 111 B14R1.32 CCNC(=O)/C=C/C1=CC(=CC=C1)Br Z30281577 [1,1,0,0,0,0|0,0,0]=2 112 B14R1.32 CCNC(=O)COC1=CC(=CC=C1)N Z239127548 [1,1,0,0,0,0|1,0,1]=4 113 B14R1.32 CCNC(=O)NCC1=CC(=CC=C1)Br Z642328022 [1,1,0,0,0,0|1,0,1]=4 114 B14R1.32 CCNC(=O)NCC1=CC(=CC=C1)Cl Z44603123 [1,1,0,0,0,0|1,0,1]=4 115 B14R1.32 CONC(=O)/C=C/C1=CC(=CC=C1)Cl Z193289760 [1,1,0,0,0,0|1,0,0]=3 116 B14R1.60 CCOC(=O)C(=O)NC1=CC=CC=C1 Z56755839 [1,1,0,0,0,0|2,0,0]=4 117 B14R1.502 CCNC(=O)CCC1=CC=C(C=C1)O Z1634469457 [1,1,0,0,0,0|0,0,2]=4 118 B14R1.502 CCNC(=O)CNC1=CC=C(C=C1)Br Z104586806 [1,1,0,0,0,0|1,0,1]=4 119 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)Cl Z19727269 [1,1,0,0,0,0|1,0,1]=4 120 B14R1.502 CCNC(=O)COC1=CC=C(C=C1)N Z239127440 [1,1,0,0,0,0|1,0,1]=4 121 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C Z44616623 [1,1,0,0,0,0|1,0,1]=4 122 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)Cl Z44585267 [1,1,0,0,0,0|1,0,1]=4 123 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)N Z600392026 [1,1,0,0,0,0|1,0,1]=4 124 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)C Z54083206 [1,1,0,0,0,0|1,0,0]=3 125 B14R1.502 CCOC(=O)/C=C/C1=CC=C(C=C1)N Z56770907 [1,1,0,0,0,0|1,0,0]=3 126 B14R1.502 CCOC(=O)/C=C/C1=NC=C(C=C1)Br Z1725938497 [1,1,0,0,0,0|2,0,0]=4 127 B14R1.598 CCNC(=O)CCC1=C(C=CC=C1)Br Z605597262 [1,1,0,0,0,0|0,0,2]=4 128 B14R1.598 CCNC(=O)NCC1=C(C=CC=C1)C Z53120536 [1,1,0,0,0,0|1,0,1]=4 129 B14R1.756 NC(CO)C(=O)OCC1=CC=CC=C1 Z2418413533 [1,1,0,0,0,0|1,0,1]=4 130 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 Z2757548458 [1,1,0,0,0,0|0,0,2]=4 131 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)F Z44586769 [0,1,0,0,1,0|2,0,0]=4 132 B14R1.33 NC1=CC=C(C=C1)CC(=O)NCCO Z1160900184 [0,1,0,0,1,0|0,0,1]=3 133 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,1,0,0,1,0|0,0,1]=3 134 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl Z123743880 [0,1,0,0,1,0|1,0,0]=3 135 B14R1.33 O=C(NCCO)NC1=NC=C(C=C1)Br Z1665418173 [0,1,0,0,1,0|2,0,0]=4 136 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)N Z992264158 [0,1,0,0,1,0|1,0,1]=4 137 B14R1.34 CCCNC(=O)NC1=CC(=CC=C1)C Z44586517 [0,1,0,0,1,0|2,0,0]=4 138 B14R1.34 CCCNC(=O)NC1=CC(=CC=C1)O Z55290397 [0,1,0,0,1,0|2,0,0]=4 139 B14R1.34 NCCNC(=O)CC1=CC(=CC=C1)F Z285198030 [0,1,0,0,1,0|1,0,1]=4 140 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 Z44603417 [0,1,0,0,1,0|2,0,0]=4 141 B14R1.423 CC(O)CNC(=O)CC1=CC=CC=C1 Z68385325 [0,1,0,0,1,0|0,0,1]=3 142 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 Z104955688 [0,1,0,0,1,0|1,0,0]=3 143 B14R1.423 CC(O)CNC(=O)NC1=NC=CC=C1 Z446687052 [0,1,0,0,1,0|2,0,0]=4 144 B14R1.423 C[C@H](O)CNC(=O)NC1=CC=CC=C1 Z1563512128 [0,1,0,0,1,0|1,0,0]=3 145 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,1,0,0,1,0|0,0,2]=4 146 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,1,0,0,1,0|1,0,1]=4 147 B14R1.743 CC(CO)NC(=O)NC1=CC=CC=C1 Z332430536 [0,1,0,0,1,0|1,0,0]=3 148 B14R1.743 CCC(C)NC(=O)NC1=CC=CC=C1 Z44585021 [0,1,0,0,1,0|2,0,0]=4 149 B14R1.946 CCCNC(=O)CC1=C(C=CC=C1)C Z51751528 [0,1,0,0,1,0|1,0,1]=4 150 B14R1.946 CCCNC(=O)NC1=C(C=CC=C1)Br Z44586409 [0,1,0,0,1,0|2,0,0]=4 151 B14R1.946 CCCNC(=O)NC1=C(C=CC=C1)F Z44591377 [0,1,0,0,1,0|2,0,0]=4 152 B14R1.946 O=C(NCCO)NC1=C(C=CC=C1)I Z445998836 [0,1,0,0,1,0|1,0,0]=3 153 B14R1.588 CCC(C)NC(=O)/C=C/C1=CC=CS1 Z31442414 [0,1,0,0,1,0|2,0,0]=4 154 B14R1.4526 O=C(O)CNC(=O)/C=C/C1=CC=CO1 Z85886706 [0,1,0,0,1,0|1,0,1]=4 155 B16R1.119 O=C(CCCO)N/N=C/C1=CC(=CC=C1)Br Z49705405 [0,1,0,0,0,1|2,0,0]=4 156 B16R1.700 O=C(CNC(=O)C1=CC=CC=C1)NCCO Z31725269 [0,1,0,0,0,1|0,0,1]=3 157 B16R1.1694 COCCNC(=O)CCNC1=CC=CC=C1 Z299616338 [0,1,0,0,0,1|0,0,2]=4 158 B16R1.1694 COCCNC(=O)CCSC1=CC=CC=C1 Z31438811 [0,1,0,0,0,1|0,0,2]=4 159 B16R1.35 COCCNC(=O)CN(C)C1=CC=CC=C1 Z46176057 [0,2,0,0,0,0|1,0,1]=4 160 B16R1.51 COCCNC(=O)/C=C/C1=CC=C(C=C1)Br Z27706270 [0,2,0,0,0,0|0,0,0]=2 161 B16R1.51 COCCNC(=O)/C=C/C1=CC=C(C=C1)F Z31438425 [0,2,0,0,0,0|0,0,0]=2 162 B16R1.51 COCCNC(=O)CCC1=CC=C(C=C1)Cl Z192601686 [0,2,0,0,0,0|0,0,2]=4 163 B16R1.51 COCCNC(=O)COC1=CC=C(C=C1)Br Z19725425 [0,2,0,0,0,0|1,0,1]=4 164 B16R1.51 COCCNC(=O)CSC1=CC=C(C=C1)C Z18769674 [0,2,0,0,0,0|1,0,1]=4 165 B16R1.51 COCCNC(=O)CSC1=CC=C(C=C1)Cl Z19728405 [0,2,0,0,0,0|1,0,1]=4 166 B16R1.51 COCCNC(=O)CSC1=CC=C(C=C1)F Z16034245 [0,2,0,0,0,0|1,0,1]=4 167 B16R1.51 COCCNC(=O)CSC1=CC=C(C=C1)O Z733875418 [0,2,0,0,0,0|1,0,1]=4 168 B16R1.51 COCCNC(=O)NCC1=CC=C(C=C1)C Z211760328 [0,2,0,0,0,0|1,0,1]=4 169 B16R1.52 COCCNC(=O)CCC1=CC(=CC=C1)F Z192601698 [0,2,0,0,0,0|0,0,2]=4 170 B16R1.52 COCCNC(=O)COC1=CC(=CC=C1)Br Z19736329 [0,2,0,0,0,0|1,0,1]=4 171 B16R1.52 COCCNC(=O)COC1=CC(=CC=C1)I Z25075915 [0,2,0,0,0,0|1,0,1]=4 172 B16R1.608 O=C(O)CCNC(=O)/C=C/C1=CC=CC=C1 Z57023704 [0,2,0,0,0,0|0,0,0]=2 173 B16R1.608 O=C(O)CCNC(=O)NCC1=CC=CC=C1 Z212063110 [0,2,0,0,0,0|1,0,1]=4 174 B16R1.688 CCCCCOC(=O)/C=C/C1=CC=CC=C1 Z762368632 [0,2,0,0,0,0|2,0,0]=4 175 B16R1.688 COCCCNC(=O)/C=C/C1=CC=CC=C1 Z31817601 [0,2,0,0,0,0|0,0,0]=2 176 B16R1.1216 COCCNC(=O)[C@@H](N)CC1=CC=CC=C1 Z1449743971 [0,2,0,0,0,0|0,0,2]=4 177 B16R1.1343 CC(C#N)CNC(=O)/C=C/C1=CC=CC=C1 Z1171898368 [0,2,0,0,0,0|1,0,0]=3 178 B16R1.1343 COC(=O)CNC(=O)/C=C/C1=CC=CC=C1 Z24046761 [0,2,0,0,0,0|0,0,1]=3 179 B16R1.1343 O=C(NCC(O)CO)OCC1=CC=CC=C1 Z1270415328 [0,2,0,0,0,0|1,0,1]=4 180 B16R1.1570 COCC(C)NC(=O)/C=C/C1=CN=CC=C1 Z283921024 [0,2,0,0,0,0|1,0,0]=3 181 B16R1.1570 COCC(C)NC(=O)CSC1=CC=CC=C1 Z19750897 [0,2,0,0,0,0|1,0,1]=4 182 B16R1.1696 COCCNC(=O)CCC1=C(C=CC=C1)Cl Z31437094 [0,2,0,0,0,0|0,0,2]=4 183 B16R1.1696 COCCNC(=O)CCC1=C(C=CC=C1)F Z58422768 [0,2,0,0,0,0|0,0,2]=4 184 B16R1.1696 COCCNC(=O)CNC1=C(C=CC=C1)Cl Z64884420 [0,2,0,0,0,0|1,0,1]=4 185 B16R1.1696 COCCNC(=O)COC1=C(C=CC=C1)F Z19724511 [0,2,0,0,0,0|1,0,1]=4 186 B16R1.1696 COCCNC(=O)CSC1=C(C=CC=C1)C Z31438347 [0,2,0,0,0,0|1,0,1]=4 187 B16R1.1696 COCCNC(=O)CSC1=C(C=CC=C1)F Z18098035 [0,2,0,0,0,0|1,0,1]=4 188 B16R1.1696 O=C(CCC1=C(C=CC=C1)Br)NCCCO Z647147754 [0,2,0,0,0,0|0,0,2]=4 189 B16R1.20527 CCCCNS(=O)(=O)/C=C/C1=CC=CC=C1 Z45516940 [0,2,0,0,0,0|2,0,0]=4 190 B16R1.20527 COCCNS(=O)(=O)/C=C/C1=CC=CC=C1 Z53825233 [0,2,0,0,0,0|1,0,0]=3 191 B16R1.7010 CC1=C(C=CC=C1)/C(=C/C(=O)NCC#N)/C Z1211953678 [0,2,0,0,0,0|1,0,1]=4 192 B16R1.11227 CC1=CC=CC(=C1)OCC(=O)NC[C@@H](C)O Z1564781816 [0,2,0,0,0,0|1,0,1]=4 193 B16R1.11227 C[C@H](O)CNC(=O)/C=C/C1=CC(=CC=C1)Cl Z1566432045 [0,2,0,0,0,0|0,0,0]=2 194 B16R1.20755 C=CCNC(=O)/C=C/C1=CC=CC(=C1)OC Z32064885 [0,2,0,0,0,0|1,0,1]=4 195 B16R1.658 C/C(=C/C1=CC=C(C=C1)F)/C(=O)NCC#N Z1343947706 [0,2,0,0,0,0|1,0,1]=4 196 B16R1.658 CC(SC1=CC=C(C=C1)Br)C(=O)NCCO Z605782990 [0,2,0,0,0,0|1,0,1]=4 197 B16R1.850 CCC(C)NC(=O)/C=C/C1=CC=C(C=C1)F Z31442441 [0,2,0,0,0,0|1,0,0]=3 198 B16R1.1061 C[C@@H](O)CNC(=O)NCC1=CC=C(C=C1)Br Z1875249346 [0,2,0,0,0,0|1,0,1]=4 199 B16R1.1061 O=C(/C=C/C1=CC=C(C=C1)Cl)OCC(F)F Z762581090 [0,2,0,0,0,0|2,0,0]=4 200 B16R1.1478 CC1=C(C=CC(=C1)Br)SCC(=O)NCCO Z31725663 [0,2,0,0,0,0|1,0,1]=4 201 B16R1.1478 O=C(COC1=C(C=C(C=C1)Cl)Cl)NCCO Z31725119 [0,2,0,0,0,0|1,0,1]=4 202 B16R1.1478 O=C(COC1=C(C=C(C=C1)F)Br)NCCO Z31724174 [0,2,0,0,0,0|1,0,1]=4 203 B16R1.17824 NCCNS(=O)(=O)/C=C/C1=CC=C(C=C1)Br Z1491213500 [0,2,0,0,0,0|2,0,0]=4 204 B16R1.1127 CC(CO)NC(=O)C(C)SC1=CC=CC=C1 Z353251772 [0,2,0,0,0,0|1,0,1]=4 205 B16R1.7523 CCCNC(=O)C(=O)NC1=C(C=CC=C1)Br Z57317802 [0,2,0,0,0,0|2,0,0]=4 206 B16R1.853 CC1=C(C=CC=C1)/C=C/C(=O)NC(C)CO Z353288332 [0,2,0,0,0,0|0,0,0]=2 207 B16R1.4122 CC(C)C(C)NC(=O)/C=C/C1=CN=CC=C1 Z283975798 [0,2,0,0,0,0|2,0,0]=4 208 B16R1.4122 CC(NC(=O)/C=C/C1=CC=CC=C1)C(=O)O Z56347601 [0,2,0,0,0,0|0,0,1]=3 209 B16R1.4122 C[C@H](NC(=O)/C=C/C1=CC=CC=C1)C(=O)O Z57023692 [0,2,0,0,0,0|0,0,1]=3 210 B16R1.10317 CC(C)(CO)NC(=O)OCC1=CC=CC=C1 Z425736724 [0,2,0,0,0,0|1,0,1]=4 211 B16R1.10317 CCC(C)(C)NC(=O)/C=C/C1=CN=CC=C1 Z283918290 [0,2,0,0,0,0|2,0,0]=4 212 B16R1.17161 C[C@@H](CO)NS(=O)(=O)/C=C/C1=CC=CC=C1 Z1268431605 [0,2,0,0,0,0|1,0,0]=3 213 B16R1.400 O=C(O)CNC(=O)/C=C/C1=C(C=CC=C1)Br Z85887335 [0,2,0,0,0,0|0,0,1]=3 214 B16R1.6744 NCCNS(=O)(=O)/C=C/C1=C(C=CC=C1)Cl Z3071331193 [0,2,0,0,0,0|2,0,0]=4 215 B16R1.1771 O=C(O)CNS(=O)(=O)/C=C/C1=CC=CC=C1 Z45658565 [0,2,0,0,0,0|1,0,1]=4 216 B16R1.22556 CC(C)(O)CNC(=O)COC1=CC=CC=C1 Z1258733836 [0,2,0,0,0,0|1,0,1]=4 217 B16R1.22556 O=C(/C=C/C1=CC=CC=C1)NCC(F)(F)F Z33476209 [0,2,0,0,0,0|1,0,0]=3 218 B14R2.7150 NCCC1=C2C=CC=CC2=CC=C1 Z285143746 [1,0,0,1,0,0|2,0,0]=4 219 B14R2.7150 OCCC1=C2C=CC=CC2=NC=C1 Z1198313078 [1,0,0,1,0,0|2,0,0]=4 220 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [1,0,0,1,0,0|1,0,0]=3 221 B14R2.21 O=C1C=C(CCC1)C2=CN=CC=C2 Z1258851299 [1,0,0,1,0,0|2,0,0]=4 222 B14R2.21 O=C1C=C(N=CN1)C2=CC=CC=C2 Z276162008 [1,0,0,1,0,0|1,0,1]=4 223 B14R2.52 CC1NC(=O)COC2=C1C=CC=C2 Z1255387364 [1,0,0,1,0,0|1,0,1]=4 224 B14R2.112 CCNC1=CC2=C(C=CC=C2)C=C1 Z286374752 [1,0,0,1,0,0|1,0,0]=3 225 B14R2.112 CCOC1=CC2=C(C=CC=C2)C=C1 Z53835291 [1,0,0,1,0,0|2,0,0]=4 226 B14R2.112 NCCC1=CC2=C(C=CC=C2)C=C1 Z381785718 [1,0,0,1,0,0|2,0,0]=4 227 B14R2.112 OCCC1=CC2=C(C=CC=C2)C=C1 Z397587214 [1,0,0,1,0,0|1,0,0]=3 228 B14R2.112 OCCC1=CC2=C(C=CC=N2)C=C1 Z1198313086 [1,0,0,1,0,0|2,0,0]=4 229 B14R2.112 OCCC1=NC2=C(C=CC=C2)C=C1 Z1198157695 [1,0,0,1,0,0|1,0,0]=3 230 B14R2.280 O=C1CCC2=C(C=CC=C2)CCN1 Z1255361336 [1,0,0,1,0,0|0,0,2]=4 231 B14R2.33858 CCNC(=O)C1CC2=C1C=CC=C2 Z1250591407 [1,0,0,1,0,0|0,0,2]=4 232 B14R2.67 OCCNC1=NC2=C(N1)C=CC=C2 Z56886118 [0,0,0,1,1,0|2,0,0]=4 233 B14R2.67 OCCNC1=NC2=C(S1)C=CC=C2 Z86233261 [0,0,0,1,1,0|1,1,0]=4 234 B14R2.517 CC1=NC2=C(N1CCO)C=CC=C2 Z56989568 [0,0,0,1,1,0|2,0,0]=4 235 B14R2.517 CCCN1C(=O)NC2=C1C=CC=C2 Z56791853 [0,0,0,1,1,0|2,0,0]=4 236 B14R2.517 NCCN1C(=O)CC2=C1C=CC=C2 Z4447090207 [0,0,0,1,1,0|1,0,1]=4 237 B14R2.517 NCCN1C(=O)NC2=C1C=CC=C2 Z1354416053 [0,0,0,1,1,0|2,0,0]=4 238 B14R2.517 NCCN1C(=O)OC2=C1C=CC=C2 Z234897259 [0,0,0,1,1,0|2,0,0]=4 239 B14R2.517 O=C1OC2=C(N1CCBr)C=CC=C2 Z285922104 [0,0,0,1,1,0|2,0,0]=4 240 B14R2.517 O=C1OC2=C(N1CCO)C=CC=C2 Z425794534 [0,0,0,1,1,0|1,0,0]=3 241 B14R2.517 O=C1SC2=C(N1CCF)C=CC=C2 Z1449371798 [0,0,0,1,1,0|2,0,0]=4 242 B14R2.9593 O=C(NC1=CC=CC=C1)NC2CC2 Z44603201 [0,0,0,1,1,0|2,0,0]=4 243 B14R2.13184 O=C(/C=C/C1=CC=CS1)NC2CC2 Z32368102 [0,0,0,1,1,0|2,0,0]=4 244 B16R2.37 C#CCNC(=O)C1=CSC2=C1C=CC=C2 Z220958820 [0,0,0,1,0,1|1,0,1]=4 245 B16R2.37 CCCNC(=O)C1=NNC2=C1C=CC=C2 Z33030736 [0,0,0,1,0,1|2,0,0]=4 246 B16R2.37 CCCOC(=O)C1=CNC2=C1C=CC=C2 Z289431414 [0,0,0,1,0,1|2,0,0]=4 247 B16R2.37 CCONC(=O)C1=CSC2=C1C=CC=C2 Z281502544 [0,0,0,1,0,1|2,0,0]=4 248 B16R2.37 NCCNC(=O)C1=C2C=CC=CC2=NN1 Z1262250753 [0,0,0,1,0,1|2,0,0]=4 249 B16R2.37 O=C(NCCO)C1=NNC2=C1C=CC=C2 Z31725536 [0,0,0,1,0,1|1,0,0]=3 250 B16R2.150 OCCSC1=NC(=CS1)C2=CC=CC=C2 Z241253342 [0,0,0,1,0,1|2,0,0]=4 251 B16R2.3602 CCCN1C(=O)ON=C1C2=CC=CC=C2 Z857670482 [0,0,0,1,0,1|2,0,0]=4 252 B16R2.3602 O=C1ON=C(N1CCF)C2=CC=CC=C2 Z1269322476 [0,0,0,1,0,1|2,0,0]=4 253 B16R2.3602 O=C1ON=C(N1CCO)C2=CC=CC=C2 Z955198822 [0,0,0,1,0,1|1,0,0]=3 254 B16R2.146980 O=C(/C=C/SC1=CC=CC=C1)NC2CC2 Z108823926 [0,0,0,1,0,1|1,0,0]=3 255 B16R2.2441 OCCCNC1=NC2=C(C=CC=C2)N=C1 Z246172942 [0,1,0,1,0,0|2,0,0]=4 256 B16R2.30013 N#CCCN1C(=O)C=NC2=C1C=CC=C2 Z54335945 [0,1,0,1,0,0|2,0,0]=4 257 B16R2.44153 O=C(/C=C/C1=CN=CC=C1)NCC2CC2 Z290425604 [0,1,0,1,0,0|2,0,0]=4 258 B16R2.44153 O=C(NCC1CO1)OCC2=CC=CC=C2 Z1509146533 [0,1,0,1,0,0|1,0,1]=4 259 B16R2.19 CCC1=NC(=CC(=O)N1)C2=CC=CC=C2 Z56803686 [0,1,0,1,0,0|1,0,1]=4 260 B16R2.551 NC1=CC(=NN1CCO)C2=CN=CC=C2 Z393711992 [0,1,0,1,0,0|2,0,0]=4 261 B16R2.11574 O=C(/C=C/C1=CC=C(C=C1)Br)NC2CC2 Z30840362 [0,1,0,1,0,0|1,0,0]=3 262 B16R2.2128 C#CCNC(=O)C1=CC2=C(N1)C=CC=C2 Z101583230 [0,1,0,1,0,0|1,0,1]=4 263 B16R2.2128 C#CCNC(=O)C1=CC2=C(S1)C=CC=C2 Z87654495 [0,1,0,1,0,0|1,0,1]=4 264 B16R2.2128 C=CCNC(=O)C1=CC2=C(O1)C=CC=C2 Z32064784 [0,1,0,1,0,0|1,0,1]=4 265 B16R2.2128 CCCNC(=O)C1=CC2=C(N1)C=CC=C2 Z100747596 [0,1,0,1,0,0|1,0,0]=3 266 B16R2.2128 CCCNC(=O)C1=CC2=C(O1)C=CC=C2 Z33030632 [0,1,0,1,0,0|1,0,0]=3 267 B16R2.2128 CCCNC(=O)C1=CN2C=CC=CC2=N1 Z183046112 [0,1,0,1,0,0|2,0,0]=4 268 B16R2.2128 CCCOC(=O)C1=CC2=C(N1)C=CC=C2 Z54724098 [0,1,0,1,0,0|2,0,0]=4 269 B16R2.2128 CCONC(=O)C1=CC2=C(S1)C=CC=C2 Z238173942 [0,1,0,1,0,0|2,0,0]=4 270 B16R2.2128 N#CCNC(=O)C1=CC2=C(S1)C=CC=C2 Z816838626 [0,1,0,1,0,0|1,0,1]=4 271 B16R2.2128 NCCNC(=O)C1=CC2=C(O1)C=CC=C2 Z1455671160 [0,1,0,1,0,0|1,0,0]=3 272 B16R2.2128 O=C(NCCF)C1=CN2C=CC=CC2=C1 Z1975047677 [0,1,0,1,0,0|2,0,0]=4 273 B16R2.27766 O=C(NC1=CC=CC=C1)C(=O)NC2CC2 Z57317775 [0,1,0,1,0,0|2,0,0]=4 274 B16R2.44621 CC1=NC2=C(C=CC=C2)N(C1=O)CCN Z1694636361 [0,1,0,1,0,0|2,0,0]=4 275 B16R2.14690 CC1=C(C=CC=C1)/C=C/C(=O)NC2CC2 Z32367416 [0,1,0,1,0,0|1,0,0]=3 276 B16R2.333 NC(=O)CN1C(=O)C=CC2=C1C=CC=C2 Z1192340195 [0,1,0,1,0,0|0,0,2]=4 277 B16R2.333 O=C(O)CN1C(=O)C=NC2=C1C=CC=C2 Z56347545 [0,1,0,1,0,0|1,0,1]=4 278 B16R3.63903 C1=CC2=C(C=C1)C=C(C=C2)CC3CO3 Z1495386084 [0,0,0,2,0,0|2,0,0]=4 279 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [1,0,0,0,1,0|1,0,1]=4 280 B12R1.32 CCNC(=O)NC1=CC=CC=C1 Z44586347 [1,0,0,0,1,0|1,0,0]=3 281 B12R1.32 CCNC(=O)NC1=CN=CC=C1 Z44592359 [1,0,0,0,1,0|2,0,0]=4 282 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [1,0,0,0,1,0|2,0,0]=4 283 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [1,0,0,0,1,0|2,0,0]=4 284 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [0,0,0,0,2,0|1,0,1]=4 285 B12R1.30 CCCNC(=O)C1=CN=CC=C1 Z33030407 [0,0,0,0,2,0|2,0,0]=4 286 B12R1.30 CCCNC(=O)C1=NC=CC=C1 Z33030324 [0,0,0,0,2,0|2,0,0]=4 287 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,0,0,0,2,0|2,0,0]=4 288 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [0,0,0,0,2,0|1,0,1]=4 289 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [0,0,0,0,2,0|1,0,0]=3 290 B12R1.30 NCCNC(=O)C1=CN=CC=C1 Z259720702 [0,0,0,0,2,0|2,0,0]=4 291 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [0,0,0,0,2,0|2,0,0]=4 292 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [0,0,0,0,2,0|0,0,0]=2 293 B12R1.30 O=C(NCCO)C1=CC=NC=C1 Z31725198 [0,0,0,0,2,0|1,0,0]=3 294 B12R1.30 O=C(NCCO)C1=CN=CC=C1 Z31725207 [0,0,0,0,2,0|1,0,0]=3 295 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,0,0,0,2,0|2,0,0]=4 296 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,0,0,0,2,0|1,0,0]=3