0 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.32 CN(CC#N)CC1=CC=NC=C1 Z431971908 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 Z56813510 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.28 C#CCNCC1=CN=CC=C1 Z90560634 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 C#CCNCC1=NC=CN=C1 Z1013420586 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [1,0,0,0,0,0|0,0,2]=3 19 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,0,0,0,0,0|0,0,2]=3 21 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,0,0,0,0,0|1,0,2]=4 24 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.28 N#CCNCC1=NC=CC=C1 Z111725574 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,0,0,0,0,0|2,0,1]=4 52 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,0,0,0,0,0|3,0,0]=4 62 B13R1.19 C#CCN(C)CC1=CC=C(C=C1)Br Z103863080 [0,1,0,0,0,0|0,0,0]=1 63 B13R1.19 CN(CC#N)CC1=CC=C(C=C1)Br Z169163658 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.19 CN(CC#N)CC1=NC=C(C=C1)F Z1817092951 [0,1,0,0,0,0|2,0,0]=3 65 B13R1.20 CN(CC#N)CC1=CC(=CN=C1)F Z1703384514 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.44 C#CCNC(=O)NC1=CC=CC=C1 Z105755866 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [0,1,0,0,0,0|0,0,2]=3 69 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [0,1,0,0,0,0|0,0,2]=3 70 B13R1.47 CN(CC#N)C(=O)C1=CC=CC=C1 Z883138496 [0,1,0,0,0,0|1,0,1]=3 71 B13R1.79 CNC(COC)CC1=CC=CC=C1 Z1836338813 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [0,1,0,0,0,0|1,0,2]=4 73 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,1,0,0,0,0|1,0,2]=4 74 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [0,1,0,0,0,0|1,0,2]=4 75 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 Z1259040954 [0,1,0,0,0,0|1,0,1]=3 76 B13R1.470 C#CCN(C)CC1=C(C=CC=C1)Cl Z103865430 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.470 CC(CC#N)SC1=C(C=CC=C1)N Z1154245688 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.470 CN(CCN)CC1=C(C=CC=C1)Cl Z415691250 [0,1,0,0,0,0|1,0,1]=3 79 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 Z1198150037 [0,0,0,1,0,0|1,0,2]=4 81 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [0,0,0,1,0,0|2,0,1]=4 82 B13R2.26 C#CCN1CC2=C(C1)C=CC=C2 Z2830621168 [0,0,0,1,0,0|0,0,0]=1 83 B13R2.26 NCCC1CC2=C(C1)C=CC=C2 Z851015128 [0,0,0,1,0,0|2,0,1]=4 84 B13R2.26 NCCN1CC2=C(C1)C=CC=C2 Z823287506 [0,0,0,1,0,0|1,0,1]=3 85 B13R2.26 OCCN1CC2=C(C1)C=CC=C2 Z1267773680 [0,0,0,1,0,0|1,0,1]=3 86 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,0,0,1,0,0|2,0,1]=4 87 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,0,0,1,0,0|2,0,1]=4 88 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,0,0,1,0,0|2,0,1]=4 89 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,0,0,1,0,0|2,0,1]=4 90 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 Z54750390 [0,0,0,1,0,0|0,0,2]=3 91 B13R2.64 C1=CN=C(C=C1)CN2CCCC2 Z232680510 [0,0,0,1,0,0|1,0,2]=4 92 B13R2.135 CN1N=C2C=CC=CC2=C1C#N Z1198223355 [0,0,0,1,0,0|2,0,1]=4 93 B13R2.135 N#CC1C(=O)CC2=C1C=CC=C2 Z1255395378 [0,0,0,1,0,0|3,0,0]=4 94 B13R2.163 CN1CCNC2=C(C1)C=CC=C2 Z1098230405 [0,0,0,1,0,0|1,0,1]=3 95 B13R2.328 CN1CC(=O)C2=C(C1)C=CC=C2 Z2651712699 [0,0,0,1,0,0|1,0,1]=3 96 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,0,0,0,1,0|2,0,0]=3 97 B11R1.16 C#CCN(C)C1=CC=CC=C1 Z103708484 [0,0,0,0,1,0|0,0,0]=1 98 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,0,0,0,1,0|2,0,1]=4 100 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,0,0,0,1,0|1,0,1]=3 101 B11R1.16 CN(CCN)C1=NC=CC=C1 Z3026268353 [0,0,0,0,1,0|2,0,1]=4 102 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,0,0,0,1,0|1,0,1]=3 103 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [0,0,0,0,1,0|2,0,1]=4 104 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,0,0,0,1,0|2,0,1]=4 105 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,0,0,0,1,0|3,0,0]=4 106 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,0,0,0,1,0|3,0,0]=4 107 B11R1.30 C#CCN(C)CC1=CSN=N1 Z2600445409 [0,0,0,0,1,0|3,0,0]=4 108 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [0,0,0,0,0,1|2,0,1]=4 109 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [0,0,0,0,0,1|2,0,1]=4 110 B13R1.42 N#CCC(=O)CCC1=CC=CC=C1 Z360167300 [0,0,0,0,0,1|3,0,0]=4 111 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 Z56809221 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [2,0,0,0,0,0|0,0,2]=4 113 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [2,0,0,0,0,0|0,0,1]=3 114 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [2,0,0,0,0,0|1,0,1]=4 115 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [2,0,0,0,0,0|1,0,0]=3 119 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.17 N#CCNC1=NC=CC=C1 Z1203732480 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [2,0,0,0,0,0|1,0,1]=4 126 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [2,0,0,0,0,0|1,0,0]=3 129 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [2,0,0,0,0,0|2,0,0]=4 131 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [2,0,0,0,0,0|1,0,0]=3 134 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [2,0,0,0,0,0|1,0,0]=3 135 B12R1.1 C#CCNCC1=CC=C(C=C1)C Z857666950 [1,1,0,0,0,0|0,0,0]=2 136 B12R1.1 C#CCNCC1=CC=C(C=C1)F Z951367660 [1,1,0,0,0,0|0,0,0]=2 137 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [1,1,0,0,0,0|0,0,2]=4 139 B12R1.1 N#CCSCC1=CC=C(C=C1)Cl Z18433100 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [1,1,0,0,0,0|1,0,1]=4 141 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [1,1,0,0,0,0|0,0,2]=4 143 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [1,1,0,0,0,0|0,0,2]=4 144 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [1,1,0,0,0,0|0,0,2]=4 145 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [1,1,0,0,0,0|0,0,2]=4 146 B12R1.8 N#CCCNCC1=CC=NC=C1 Z56965984 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.8 N#CCCNCC1=CN=CC=C1 Z53116802 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.8 N#CCCNCC1=NC=CC=C1 Z53116751 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [1,1,0,0,0,0|0,0,2]=4 151 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [1,1,0,0,0,0|1,0,1]=4 152 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [1,1,0,0,0,0|0,0,1]=3 154 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 Z1255365960 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [1,1,0,0,0,0|0,0,2]=4 156 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.28 C#CCNCC1=CC=CC(=N1)C Z971159684 [1,1,0,0,0,0|1,0,0]=3 158 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [1,1,0,0,0,0|1,0,1]=4 159 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [1,1,0,0,0,0|1,0,1]=4 162 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [1,1,0,0,0,0|0,0,1]=3 163 B12R1.30 C#CCNC(=O)C1=CN=CC=C1 Z246935876 [1,1,0,0,0,0|1,0,1]=4 164 B12R1.30 C#CCNC(=O)C1=NC=CC=C1 Z220957456 [1,1,0,0,0,0|1,0,1]=4 165 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,1,0,0,0,0|0,0,2]=4 166 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [1,1,0,0,0,0|0,0,2]=4 169 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.267 C#CCNCC1=C(C=CC=C1)Cl Z1705787112 [1,1,0,0,0,0|0,0,0]=2 172 B12R1.267 C#CCNCC1=C(C=CC=N1)C Z1123707086 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [1,1,0,0,0,0|0,0,2]=4 174 B12R1.267 CC1=C(C=CC=C1)CSCC#N Z17108796 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [1,1,0,0,0,0|0,0,2]=4 176 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [1,1,0,0,0,0|0,0,2]=4 177 B12R1.267 N#CCCCC1=C(C=CC=C1)Br Z1269161079 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.267 N#CCCCC1=C(C=CC=C1)Cl Z1198169265 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.267 OCCNCC1=C(C=CC=C1)Br Z90504623 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [1,1,0,0,0,0|1,0,1]=4 182 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.3 C#CCC(NC)C1=CC=CC=C1 Z1815149215 [0,1,0,0,1,0|1,0,0]=3 192 B12R1.3 CCN(CCF)C1=CC=CC=C1 Z3886028878 [0,1,0,0,1,0|1,0,1]=4 193 B12R1.3 CCN(CCO)C1=CC=CC=C1 Z56922120 [0,1,0,0,1,0|1,0,1]=4 194 B12R1.16 C#CCN(C)C1=NC=C(N=C1)N Z1513802250 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.16 CN(CC#N)C1=CC=C(C=C1)F Z645126996 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,1,0,0,1,0|1,0,1]=4 197 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,1,0,0,1,0|1,0,1]=4 198 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [0,1,0,0,1,0|0,0,2]=4 199 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,1,0,0,1,0|1,0,1]=4 200 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [0,1,0,0,1,0|1,0,1]=4 201 B12R1.308 CCCN(C)C1=C(C=CC=C1)N Z409202040 [0,1,0,0,1,0|0,0,2]=4 202 B12R1.53 CN(CCC#N)CC1=CC=CS1 Z53115357 [0,1,0,0,1,0|1,0,1]=4 203 B12R1.53 CN(CCC#N)CC1=CSC=C1 Z92746961 [0,1,0,0,1,0|1,0,1]=4 204 B14R1.29 CN(CCO)CC(O)C1=CC=CC=C1 Z31371712 [0,1,0,0,0,1|1,0,1]=4 205 B14R1.32 CC(CC#N)NCC1=CC(=CC=C1)Br Z816037402 [0,1,0,0,0,1|2,0,0]=4 206 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 Z778141970 [0,1,0,0,0,1|0,0,0]=2 207 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 Z2768168341 [0,1,0,0,0,1|0,0,0]=2 208 B14R1.156 C#CCCC(O)CCC1=CC=CC=C1 Z1143224312 [0,1,0,0,0,1|2,0,0]=4 209 B14R1.156 C#CCNC(=O)CCC1=CC=CC=C1 Z52404020 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.156 C#CCNC(=O)COC1=CC=CC=C1 Z52404201 [0,1,0,0,0,1|2,0,0]=4 211 B14R1.156 C#CCNC(=O)NCC1=CC=CC=C1 Z166726184 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.156 C#CCNC(=O)OCC1=CC=CC=C1 Z193021306 [0,1,0,0,0,1|2,0,0]=4 213 B14R1.502 CN(CC#N)CCC1=CC=C(C=C1)Br Z1145128432 [0,1,0,0,0,1|1,0,0]=3 214 B14R1.818 CN(CCC1=CC=CC=C1)CC(=O)O Z1459897052 [0,1,0,0,0,1|1,0,1]=4 215 B14R1.33 C#CCCC(O)CC1=CC=C(C=C1)F Z1143224284 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.33 C#CCNC(=O)CC1=CC=C(C=C1)Br Z52404823 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.33 C#CCNC(=O)CC1=CC=C(C=C1)Cl Z52404304 [0,2,0,0,0,0|2,0,0]=4 218 B14R1.33 CN(CCC#N)CC1=CC=C(C=C1)Cl Z53115816 [0,2,0,0,0,0|0,0,1]=3 219 B14R1.33 CN(CCC#N)CC1=CC=C(C=C1)F Z53112535 [0,2,0,0,0,0|0,0,1]=3 220 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Br Z105904358 [0,2,0,0,0,0|0,0,2]=4 221 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Cl Z105905670 [0,2,0,0,0,0|0,0,2]=4 222 B14R1.33 COCCN(C)CC1=CC=C(C=C1)Br Z169163732 [0,2,0,0,0,0|0,0,2]=4 223 B14R1.33 COCCN(C)CC1=CC=C(C=C1)Cl Z169165024 [0,2,0,0,0,0|0,0,2]=4 224 B14R1.72 CCN(CCN)CC1=CC=C(C=C1)Cl Z3991401696 [0,2,0,0,0,0|1,0,1]=4 225 B14R1.698 CC1=CC=C(C=C1)CN(C)CC(=O)O Z1459900471 [0,2,0,0,0,0|1,0,1]=4 226 B14R1.698 CN(CC(=O)N)CC1=CC=C(C=C1)Br Z54998150 [0,2,0,0,0,0|1,0,1]=4 227 B14R1.698 CN(CC(=O)N)CC1=CC=C(C=C1)F Z54508743 [0,2,0,0,0,0|1,0,1]=4 228 B14R1.954 C#CC1=CC=C(C=C1)CN(C)CCF Z2226997209 [0,2,0,0,0,0|1,0,1]=4 229 B14R1.954 C#CCN(C)CC1=CC=C(C=C1)OC Z103783702 [0,2,0,0,0,0|0,0,0]=2 230 B14R1.954 COC1=CC=C(C=C1)CN(C)CCN Z3246280295 [0,2,0,0,0,0|1,0,1]=4 231 B14R1.967 CN(CC#N)CC1=CC(=C(C=C1)Cl)Cl Z169198530 [0,2,0,0,0,0|1,0,0]=3 232 B14R1.6823 CC1=C(C=CC(=C1)Cl)CN(C)CCO Z1702918408 [0,2,0,0,0,0|1,0,1]=4 233 B14R1.6823 CC1=CC(=C(C=C1)CN(C)CC#N)Br Z1563724315 [0,2,0,0,0,0|1,0,0]=3 234 B14R1.6823 CCCN(C)CC1=C(C=C(C=C1)F)Cl Z1652621256 [0,2,0,0,0,0|0,0,2]=4 235 B14R1.6823 CN(CC#N)CC1=C(C=C(C=C1)Br)F Z883142030 [0,2,0,0,0,0|1,0,0]=3 236 B14R1.6823 CN(CC#N)CC1=C(C=C(C=C1)Cl)Br Z1199338652 [0,2,0,0,0,0|1,0,0]=3 237 B14R1.6823 CN(CC#N)CC1=C(C=C(C=C1)Cl)Cl Z169180552 [0,2,0,0,0,0|1,0,0]=3 238 B14R1.34 C#CCNC(=O)CC1=CC=CC(=C1)F Z52405215 [0,2,0,0,0,0|2,0,0]=4 239 B14R1.34 C#CCNC(=O)CC1=CC=CC(=C1)I Z1419075593 [0,2,0,0,0,0|2,0,0]=4 240 B14R1.34 C#CCNC(C)CC1=CC(=CC=C1)F Z1437035606 [0,2,0,0,0,0|1,0,0]=3 241 B14R1.34 CN(CCC#N)CC1=CC(=CC=C1)Cl Z53112484 [0,2,0,0,0,0|0,0,1]=3 242 B14R1.34 COCCN(C)CC1=CC(=CC=C1)Cl Z169197340 [0,2,0,0,0,0|0,0,2]=4 243 B14R1.73 CCN(CCN)CC1=CC(=CC=C1)Cl Z4607415852 [0,2,0,0,0,0|1,0,1]=4 244 B14R1.73 CCN(CCN)CC1=CC(=CC=C1)N Z2722454675 [0,2,0,0,0,0|1,0,1]=4 245 B14R1.73 CCN(CCN)CC1=CC(=CC=C1)O Z4650481449 [0,2,0,0,0,0|1,0,1]=4 246 B14R1.73 CCN(CCO)CC1=CC(=CC=C1)Cl Z138195218 [0,2,0,0,0,0|1,0,1]=4 247 B14R1.950 CN(CC#N)CC1=C(C=CC(=C1)Br)Cl Z1189051055 [0,2,0,0,0,0|1,0,0]=3 248 B14R1.950 CN(CC#N)CC1=C(C=CC(=C1)Cl)Cl Z1259124626 [0,2,0,0,0,0|1,0,0]=3 249 B14R1.950 CN(CC#N)CC1=C(C=CC(=C1)F)Br Z1130032171 [0,2,0,0,0,0|1,0,0]=3 250 B14R1.950 CN(CCO)CC1=C(C=CC(=C1)N)Cl Z636328648 [0,2,0,0,0,0|1,0,1]=4 251 B14R1.952 CN(CC#N)CC1=CC(=CC(=C1)Cl)Cl Z644804838 [0,2,0,0,0,0|1,0,0]=3 252 B14R1.952 CN(CC#N)CC1=CC(=CC(=C1)F)Br Z1337763007 [0,2,0,0,0,0|1,0,0]=3 253 B14R1.952 CN(CCO)CC1=CC(=CC(=C1)F)Br Z1337750023 [0,2,0,0,0,0|1,0,1]=4 254 B14R1.5978 CN(CC(=O)N)CC1=CC(=CC=C1)Cl Z54506183 [0,2,0,0,0,0|1,0,1]=4 255 B14R1.5978 CN(CC(=O)N)CC1=CC(=CC=C1)F Z54758298 [0,2,0,0,0,0|1,0,1]=4 256 B14R1.5978 CN(CC(=O)O)CC1=CC(=CC=C1)Cl Z1459897420 [0,2,0,0,0,0|1,0,1]=4 257 B14R1.467 CCN(CCOC)CC1=CC=CC=C1 Z168921324 [0,2,0,0,0,0|0,0,2]=4 258 B14R1.743 CN(CC1=CC=CC=C1)C[C@H](O)CO Z1572042228 [0,2,0,0,0,0|0,0,2]=4 259 B14R1.946 C#CCNC(=O)CC1=C(C=CC=C1)C Z52405552 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.946 C#CCNC(=O)CC1=C(C=CC=C1)Cl Z52405236 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.946 C#CCNC(=O)CC1=C(C=CC=C1)F Z52404537 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.946 CN(CCC#N)CC1=C(C=CC=C1)F Z53115663 [0,2,0,0,0,0|0,0,1]=3 263 B14R1.946 CN(CCCO)CC1=C(C=CC=C1)Br Z105237186 [0,2,0,0,0,0|0,0,2]=4 264 B14R1.946 COCCN(C)CC1=C(C=CC=C1)Br Z169247592 [0,2,0,0,0,0|0,0,2]=4 265 B14R1.946 COCCN(C)CC1=C(C=CC=C1)Cl Z169166316 [0,2,0,0,0,0|0,0,2]=4 266 B14R1.4528 C#CCNS(=O)(=O)CC1=CC=CC=C1 Z133702010 [0,2,0,0,0,0|2,0,0]=4 267 B14R1.3348 C#CCN(C)C(=O)C1=C(C=NC=C1)Br Z1841067216 [0,2,0,0,0,0|1,0,1]=4 268 B14R1.494 ClCCN(CCCl)CC1=CC=CC=C1 Z57394756 [0,2,0,0,0,0|1,0,1]=4 269 B14R1.425 CC(C(=O)O)N(C)CC1=CC=CC=C1 Z359351934 [0,2,0,0,0,0|1,0,1]=4 270 B14R1.425 C[C@@H](C(=O)O)N(C)CC1=CC=CC=C1 Z1198157192 [0,2,0,0,0,0|1,0,1]=4 271 B14R1.337 CN(CC(=O)N)CC1=C(C=CC=C1)Br Z54757426 [0,2,0,0,0,0|1,0,1]=4 272 B14R1.337 CN(CC(=O)N)CC1=C(C=CC=C1)F Z54757840 [0,2,0,0,0,0|1,0,1]=4 273 B14R1.337 CN(CC(=O)O)CC1=C(C=CC=C1)Cl Z1459900399 [0,2,0,0,0,0|1,0,1]=4 274 B12R2.1 CCC1NCC2=C1C=CC=C2 Z2937794220 [1,0,0,1,0,0|0,0,2]=4 275 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z415654704 [1,0,0,1,0,0|2,0,0]=4 276 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,1,0,0|0,0,2]=4 277 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [1,0,0,1,0,0|0,0,2]=4 278 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [1,0,0,1,0,0|2,0,0]=4 279 B12R2.41 C1=CC2=C(C=C1)CNCCC2 Z1079126054 [1,0,0,1,0,0|0,0,2]=4 280 B12R2.41 C1=CC2=C(C=C1)NCCNC2 Z382719980 [1,0,0,1,0,0|1,0,1]=4 281 B12R2.41 C1=CC2=C(C=C1)OCCNC2 Z355445126 [1,0,0,1,0,0|1,0,1]=4 282 B12R2.41 C1=CC2=C(C=C1)SCCNC2 Z1255495971 [1,0,0,1,0,0|1,0,1]=4 283 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [1,0,0,1,0,0|0,0,2]=4 284 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [1,0,0,1,0,0|2,0,0]=4 285 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.24 CN1CC2=C(C=CC=C2)CN1 Z415677430 [1,0,0,1,0,0|1,0,1]=4 288 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [1,0,0,1,0,0|2,0,0]=4 289 B12R2.32 N#CN1CC2=C(C1)C=CC=C2 Z1258978163 [1,0,0,1,0,0|1,0,0]=3 290 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [1,0,0,1,0,0|2,0,0]=4 291 B12R2.32 O=CN1CC2=C(C1)C=CC=C2 Z1216818057 [1,0,0,1,0,0|1,0,1]=4 292 B12R2.32 O=NN1CC2=C(C1)C=CC=C2 Z1726150542 [1,0,0,1,0,0|2,0,0]=4 293 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [1,0,0,1,0,0|2,0,0]=4 294 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [1,0,0,1,0,0|2,0,0]=4 295 B12R2.39 C#CCN1CC2=C(C1)NN=C2 Z2234765668 [0,0,0,1,1,0|2,0,0]=4 296 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 Z104508454 [0,0,0,1,0,1|1,0,1]=4 297 B14R2.112 N#CCN1CCC2=C(C1)C=CC=C2 Z168885688 [0,0,0,1,0,1|1,0,0]=3 298 B14R2.112 OCCN1CCC2=C(C1)C=CC=C2 Z425793870 [0,0,0,1,0,1|1,0,1]=4 299 B14R2.72 BrC1=CC=C(C=C1)CN2CCCC2 Z54750392 [0,1,0,1,0,0|0,0,2]=4 300 B14R2.106 CC1=CC2=C(C=C1)CN(C2)CCO Z1962090223 [0,1,0,1,0,0|1,0,1]=4 301 B14R2.106 CCCN1CC2=C(C1)C=C(C=C2)N Z406357838 [0,1,0,1,0,0|0,0,2]=4 302 B14R2.926 CN1CCCC1C2=CC=C(C=C2)Br Z646267806 [0,1,0,1,0,0|0,0,2]=4 303 B14R2.111 CCCN1CC2=C(C1)C(=CC=C2)N Z406357842 [0,1,0,1,0,0|0,0,2]=4 304 B14R2.716 BrC1=CC(=CC=C1)CN2CCCC2 Z2380439453 [0,1,0,1,0,0|0,0,2]=4 305 B14R2.716 NC1=CC(=CC=C1)CN2CCCC2 Z285162764 [0,1,0,1,0,0|0,0,2]=4 306 B14R2.19 C=C1CCN(C1)CC2=CC=CC=C2 Z1182342629 [0,1,0,1,0,0|0,0,2]=4 307 B14R2.19 NC1CCN(C1)CC2=CC=CC=C2 Z104493644 [0,1,0,1,0,0|0,0,2]=4 308 B14R2.19 N[C@H]1CCN(C1)CC2=CC=CC=C2 Z1460105607 [0,1,0,1,0,0|0,0,2]=4 309 B14R2.19 OC1CCN(C1)CC2=CC=CC=C2 Z370712446 [0,1,0,1,0,0|0,0,2]=4 310 B14R2.19 O[C@@H]1CCN(C1)CC2=CC=CC=C2 Z817098778 [0,1,0,1,0,0|0,0,2]=4 311 B14R2.24 CN1CCNCC1C2=CC=CC=C2 Z3234812034 [0,1,0,1,0,0|0,0,2]=4 312 B14R2.67 NCCCN1CC2=C(C1)C=CC=C2 Z2724335000 [0,1,0,1,0,0|0,0,2]=4 313 B14R2.277 CN1CC[C@H]([C@@H]1C2=CC=CC=C2)N Z3072361928 [0,1,0,1,0,0|0,0,2]=4 314 B14R2.517 C#CCN1C(=NC2=C1C=CC=C2)C Z54474434 [0,1,0,1,0,0|2,0,0]=4 315 B14R2.9589 CN(CC1=CC=CC=C1)C2CNC2 Z2037273373 [0,1,0,1,0,0|0,0,2]=4 316 B14R2.9593 CN(CC1=CC=CC=C1)CC2CO2 Z285213554 [0,1,0,1,0,0|0,0,2]=4 317 B14R2.833 CCN(CC1=CC=CC=C1)C2CC2 Z287243982 [0,1,0,1,0,0|0,0,2]=4 318 B14R2.1019 CCN1CC(=O)C2=C(C1)C=CC=C2 Z4053135938 [0,1,0,1,0,0|1,0,1]=4 319 B14R2.768 CC(=O)CN1CC2=C(C1)C=CC=C2 Z1849005925 [0,1,0,1,0,0|0,0,2]=4 320 B14R2.768 O=C(O)CN1CC2=C(C1)C=CC=C2 Z57335261 [0,1,0,1,0,0|1,0,1]=4 321 B14R2.4893 CC1(CN(C1)CC2=CC=CC=C2)C Z1486011832 [0,1,0,1,0,0|0,0,2]=4 322 B14R2.50 FC1=C(C=CC=C1)CN2CCCC2 Z4924244858 [0,1,0,1,0,0|0,0,2]=4 323 B14R2.50 NC1=C(C=CC=C1)CN2CCCC2 Z285162766 [0,1,0,1,0,0|0,0,2]=4 324 B10R1.21 C#CCNCC1=CC=CO1 Z951367730 [1,0,0,0,1,0|1,0,0]=3 325 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,0,0,0,1,0|2,0,0]=4 326 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [1,0,0,0,1,0|2,0,0]=4 327 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,0,0,0,1,0|2,0,0]=4 328 B10R1.27 CCN(C)CC1=CC=CO1 Z5358972165 [1,0,0,0,1,0|1,0,1]=4