0 B16R3.9 C1=Cc2c(ccc3ccccc23)CC1 Amb24513593 [0,0,0,0,0,0|2,0,2]=4 1 B16R3.9 C1=Cc2c(ccc3ccccc23)OC1 Amb23441463 [0,0,0,0,0,0|3,0,1]=4 2 B16R3.9 C1=Cc2c(ccc3ccccc23)ON1 Amb28410351 [0,0,0,0,0,0|4,0,0]=4 3 B16R3.9 C1=Cc2ccc3ccccc3c2OC1 Amb23441464 [0,0,0,0,0,0|2,0,1]=3 4 B16R3.9 C1=Cc2ccc3cccnc3c2NC1 Amb27667850 [0,0,0,0,0,0|0,0,2]=2 5 B16R3.9 C1=NCCc2c1ccc3ccccc23 Amb28067640 [0,0,0,0,0,0|3,0,1]=4 6 B16R3.9 C1=Nc2c(ccc3ccncc23)CN1 Amb27655455 [0,0,0,0,0,0|3,0,1]=4 7 B16R3.9 c1cc2c(ccc3cnccc32)cn1 Amb32620546 [0,0,0,0,0,0|4,0,0]=4 8 B16R3.9 c1ccc-2c(c1)CCc3ccccc32 Amb17672017 [0,0,0,0,0,0|2,0,2]=4 9 B16R3.9 c1ccc-2c(c1)CCc3cncnc32 Amb23401185 [0,0,0,0,0,0|2,0,2]=4 10 B16R3.9 c1ccc-2c(c1)CNc3ccccc32 Amb32665195 [0,0,0,0,0,0|3,0,1]=4 11 B16R3.9 c1ccc-2c(c1)CNc3ccccc32 Amb9201095 [0,0,0,0,0,0|3,0,1]=4 12 B16R3.9 c1ccc-2c(c1)NCc3cncnc32 Amb26313182 [0,0,0,0,0,0|3,0,1]=4 13 B16R3.9 c1ccc-2c(c1)SSc3ccccc32 Amb27756332 [0,0,0,0,0,0|4,0,0]=4 14 B16R3.9 c1ccc2c(c1)ccc3ccccc32 Amb6297759 [0,0,0,0,0,0|2,0,0]=2 15 B16R3.9 c1ccc2c(c1)ccc3cccnc32 Amb8513497 [0,0,0,0,0,0|1,0,0]=1 16 B16R3.9 c1ccc2c(c1)ccc3cnccc32 Amb27752422 [0,0,0,0,0,0|3,0,0]=3 17 B16R3.9 c1ccc2c(c1)ccc3ncccc32 Amb6358050 [0,0,0,0,0,0|3,0,0]=3 18 B16R3.9 c1ccc2c(c1)ccc3nccnc32 Amb27387429 [0,0,0,0,0,0|2,0,0]=2 19 B16R3.9 c1ccc2c(c1)cnc3ccccc32 Amb2609985 [0,0,0,0,0,0|3,0,0]=3 20 B16R3.9 c1ccc2c(c1)cnc3ccnnc32 Amb27762858 [0,0,0,0,0,0|3,0,0]=3 21 B16R3.9 c1ccc2c(c1)ncc3ncnnc32 Amb22734776 [0,0,0,0,0,0|4,0,0]=4 22 B16R3.9 c1ccc2c(c1)nnc3ccccc32 Amb2746830 [0,0,0,0,0,0|4,0,0]=4 23 B16R3.9 c1cnc-2c(c1)COc3ccccc32 Amb28347446 [0,0,0,0,0,0|2,0,1]=3 24 B16R3.9 c1cnc2c(c1)ccc3ccc[nH+]c32 Amb20661604 [0,0,0,0,0,0|0,0,1]=1 25 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb1196120 [0,0,0,0,0,0|0,0,0]=0 26 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb22336341 [0,0,0,0,0,0|0,0,0]=0 27 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb2384019 [0,0,0,0,0,0|0,0,0]=0 28 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb2384020 [0,0,0,0,0,0|0,0,0]=0 29 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb2384024 [0,0,0,0,0,0|0,0,0]=0 30 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb2690232 [0,0,0,0,0,0|0,0,0]=0 31 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb2747999 [0,0,0,0,0,0|0,0,0]=0 32 B16R3.9 c1cnc2c(c1)ccc3cccnc32 Amb33329023 [0,0,0,0,0,0|0,0,0]=0 33 B16R3.9 c1cnc2c(c1)ccc3ncccc32 Amb2609979 [0,0,0,0,0,0|2,0,0]=2 34 B16R3.9 c1cnc2c(c1)nnc3cccnc32 Amb25336338 [0,0,0,0,0,0|2,0,0]=2 35 B16R3.9 c1cnc2c(ccc3nccnc32)n1 Amb26964287 [0,0,0,0,0,0|2,0,0]=2 36 B16R3.9 c1cnc2c3c(ccc2c1)CCCN3 Amb28245352 [0,0,0,0,0,0|0,0,4]=4 37 B16R3.9 c1cnc2c3c(ccc2c1)NCCC3 Amb5718816 [0,0,0,0,0,0|2,0,2]=4 38 B16R3.9 c1cnc2ccc3ncccc3c2c1 Amb1279990 [0,0,0,0,0,0|4,0,0]=4 39 B16R3.9 c1cnc2ccc3nccnc3c2c1 Amb1079108 [0,0,0,0,0,0|3,0,0]=3 40 B17R3.31 Brc1ccc2c(ccc3ccccc32)c1 Amb15692739 [0,1,0,0,0,0|2,0,0]=3 41 B17R3.31 Brc1cnc2c(ccc3cccnc32)c1 Amb20620592 [0,1,0,0,0,0|0,0,0]=1 42 B17R3.31 Cc1ccc2c(ccc3ccccc32)c1 Amb4019439 [0,1,0,0,0,0|2,0,0]=3 43 B17R3.31 Cc1ccc2c(ccc3ccccc32)n1 Amb8495590 [0,1,0,0,0,0|3,0,0]=4 44 B17R3.31 Clc1cc2ccc3ccccc3c2nn1 Amb20673068 [0,1,0,0,0,0|2,0,0]=3 45 B17R3.31 Clc1ccc2c(ccc3ccccc32)c1 Amb15692736 [0,1,0,0,0,0|2,0,0]=3 46 B17R3.31 Ic1ccc2c(ccc3ccccc32)c1 Amb21964754 [0,1,0,0,0,0|2,0,0]=3 47 B17R3.31 Nc1ccc2c(c1)ncc3ccccc32 Amb24062186 [0,1,0,0,0,0|3,0,0]=4 48 B17R3.31 Nc1ccc2c(ccc3cccnc32)n1 Amb2610110 [0,1,0,0,0,0|2,0,0]=3 49 B17R3.31 O=c1ccc2c(ccc3ccccc32)o1 Amb24061954 [0,1,0,0,0,0|3,0,0]=4 50 B17R3.4465 Brc1ccnc2c1ccc3ccccc32 Amb27843801 [0,1,0,0,0,0|1,0,0]=2 51 B17R3.4465 Brc1ccnc2c1ccc3cccnc32 Amb24059677 [0,1,0,0,0,0|0,0,0]=1 52 B17R3.4465 Cc1cccc2c1ccc3ccccc32 Amb2614712 [0,1,0,0,0,0|2,0,0]=3 53 B17R3.4465 Clc1cccc2c1ccc3cccnc32 Amb33624199 [0,1,0,0,0,0|1,0,0]=2 54 B17R3.4465 Clc1ccnc2c1ccc3cccnc32 Amb22495608 [0,1,0,0,0,0|0,0,0]=1 55 B17R3.4465 Clc1ncnc2c1ccc3cccnc32 Amb27219639 [0,1,0,0,0,0|1,0,0]=2 56 B17R3.4465 Clc1ncnc2c1ccc3cnccc32 Amb27399805 [0,1,0,0,0,0|3,0,0]=4 57 B17R3.4465 Clc1ncnc2c1ccc3ncccc32 Amb27611405 [0,1,0,0,0,0|3,0,0]=4 58 B17R3.4465 Fc1ncnc2c1ccc3ccccc32 Amb35605276 [0,1,0,0,0,0|2,0,0]=3 59 B17R3.4465 Nc1ccnc2c1ccc3ccccc32 Amb19080023 [0,1,0,0,0,0|1,0,0]=2 60 B17R3.4465 Oc1ccnc2c1ccc3cccnc32 Amb10554102 [0,1,0,0,0,0|0,0,0]=1 61 B17R3.4465 [O-][n+]1cccc2c3ccccc3ccc21 Amb2389831 [0,1,0,0,0,0|3,0,0]=4 62 B17R3.18998 Brc1ccc2ccc3ccccc3c2c1 Amb13799001 [0,1,0,0,0,0|2,0,0]=3 63 B17R3.18998 Brc1ccc2ccc3cccnc3c2n1 Amb10602003 [0,1,0,0,0,0|0,0,0]=1 64 B17R3.18998 Cc1ccc2ccc3ccccc3c2c1 Amb17673342 [0,1,0,0,0,0|2,0,0]=3 65 B17R3.18998 Cc1ccc2ccc3cccnc3c2n1 Amb2503786 [0,1,0,0,0,0|0,0,0]=1 66 B17R3.18998 Clc1ccc2ccc3ccccc3c2c1 Amb21964024 [0,1,0,0,0,0|2,0,0]=3 67 B17R3.18998 Clc1ccc2ccc3cccnc3c2n1 Amb2795049 [0,1,0,0,0,0|0,0,0]=1 68 B17R3.18998 Ic1ccc2ccc3ccccc3c2c1 Amb21964027 [0,1,0,0,0,0|2,0,0]=3 69 B17R3.18998 Nc1ccc2ccc3cccc[n+]3c2c1 Amb2613083 [0,1,0,0,0,0|3,0,0]=4 70 B17R3.18998 Nc1cnc2ccc3ccccc3c2c1 Amb24081117 [0,1,0,0,0,0|3,0,0]=4 71 B17R3.18998 O=C1C=Cc2ccc3cccnc3c2N1 Amb33743235 [0,1,0,0,0,0|0,0,1]=2 72 B17R3.18998 Oc1ccc2ccc3ccccc3c2c1 Amb17619234 [0,1,0,0,0,0|2,0,0]=3 73 B17R3.50084 C[n+]1cccc2ccc3ccccc3c21 Amb23453337 [0,1,0,0,0,0|1,0,1]=3 74 B17R3.50084 O=C1C=COc2ccc3ccccc3c21 Amb18048606 [0,1,0,0,0,0|3,0,0]=4 75 B17R3.50084 Oc1cccc2ccc3cccnc3c12 Amb3939661 [0,1,0,0,0,0|1,0,0]=2 76 B17R3.54615 Brc1cc2ccccc2c3ccccc13 Amb3939536 [0,1,0,0,0,0|2,0,0]=3 77 B17R3.54615 Brc1cc2cccnc2c3ncccc13 Amb20620593 [0,1,0,0,0,0|0,0,0]=1 78 B17R3.54615 Brc1nc2ccccc2c3ccccc13 Amb5721867 [0,1,0,0,0,0|3,0,0]=4 79 B17R3.54615 C[n+]1cc2cccnc2c3ccccc31 Amb2609777 [0,1,0,0,0,0|2,0,0]=3 80 B17R3.54615 Cc1cc2ccccc2c3ccccc13 Amb8477150 [0,1,0,0,0,0|2,0,0]=3 81 B17R3.54615 Cc1nc2ccccc2c3ncccc13 Amb765906 [0,1,0,0,0,0|2,0,0]=3 82 B17R3.54615 Clc1cc2ccccc2c3ccccc13 Amb6366175 [0,1,0,0,0,0|2,0,0]=3 83 B17R3.54615 Clc1cc2cccnc2c3ncccc13 Amb6335854 [0,1,0,0,0,0|0,0,0]=1 84 B17R3.54615 Clc1nc2ccccc2c3ccccc13 Amb6331633 [0,1,0,0,0,0|3,0,0]=4 85 B17R3.54615 Ic1cc2ccccc2c3ccccc13 Amb8480542 [0,1,0,0,0,0|2,0,0]=3 86 B17R3.54615 Ic1cc2cccnc2c3ncccc13 Amb2795800 [0,1,0,0,0,0|0,0,0]=1 87 B17R3.54615 Nc1cc2ccccc2c3ccccc13 Amb22230195 [0,1,0,0,0,0|2,0,0]=3 88 B17R3.54615 Nc1cc2cccnc2c3ncccc13 Amb20621970 [0,1,0,0,0,0|0,0,0]=1 89 B17R3.54615 Nc1nc2ccccc2c3ncccc13 Amb32454879 [0,1,0,0,0,0|2,0,0]=3 90 B17R3.54615 O=C1Nc2ccccc2-c3ccccc31 Amb19063347 [0,1,0,0,0,0|3,0,0]=4 91 B17R3.54615 O=C1Nc2ccccc2-c3ncncc31 Amb24119510 [0,1,0,0,0,0|3,0,0]=4 92 B17R3.54615 O=C1Oc2ccccc2-c3ccccc31 Amb19766528 [0,1,0,0,0,0|3,0,0]=4 93 B17R3.54615 Oc1cc2ccccc2c3ccccc13 Amb17689153 [0,1,0,0,0,0|2,0,0]=3 94 B17R3.54615 S=C1Nc2ccccc2-c3ccccc31 Amb21933605 [0,1,0,0,0,0|3,0,0]=4 95 B17R3.54615 Sc1cc2cccnc2c3ncccc13 Amb2795801 [0,1,0,0,0,0|0,0,0]=1 96 B15R2.21 C=Cc1ccccc1-c2ccccc2 Amb32411052 [0,0,1,0,0,0|2,0,0]=3 97 B15R2.21 C=Cc1ccccc1-c2ncccn2 Amb24617567 [0,0,1,0,0,0|2,0,0]=3 98 B15R2.21 CCc1ccccc1-c2ccccn2 Amb26866653 [0,0,1,0,0,0|1,0,2]=4 99 B15R2.21 CCc1cccnc1-c2ccccc2 Amb26611904 [0,0,1,0,0,0|1,0,2]=4 100 B15R2.21 CNc1ccccc1-c2ccccn2 Amb27411974 [0,0,1,0,0,0|2,0,1]=4 101 B15R2.21 CNc1cccnc1-c2ccccc2 Amb27775338 [0,0,1,0,0,0|2,0,1]=4 102 B15R2.21 CNc1nccnc1-c2ccccn2 Amb35678433 [0,0,1,0,0,0|2,0,1]=4 103 B15R2.21 COc1ccccc1-c2ccccn2 Amb9779082 [0,0,1,0,0,0|2,0,1]=4 104 B15R2.21 COc1cccnc1-c2ccccc2 Amb27614423 [0,0,1,0,0,0|2,0,1]=4 105 B15R2.21 CSc1ccccc1-c2ccccn2 Amb24403284 [0,0,1,0,0,0|2,0,1]=4 106 B15R2.21 N#Cc1cccnc1-c2ccccc2 Amb8388930 [0,0,1,0,0,0|2,0,1]=4 107 B15R2.21 N#Cc1nccnc1-c2ccccn2 Amb26383629 [0,0,1,0,0,0|2,0,1]=4 108 B15R2.21 NCc1ccccc1-c2ccccn2 Amb18909391 [0,0,1,0,0,0|2,0,1]=4 109 B15R2.21 NCc1cccnc1-c2ccccc2 Amb18909392 [0,0,1,0,0,0|2,0,1]=4 110 B15R2.21 NCc1cccnc1-c2ccccc2 Amb28991397 [0,0,1,0,0,0|2,0,1]=4 111 B15R2.21 NCc1cccnc1-c2ccccn2 Amb28318302 [0,0,1,0,0,0|1,0,1]=3 112 B15R2.21 NCc1cncnc1-c2ccccn2 Amb25071428 [0,0,1,0,0,0|2,0,1]=4 113 B15R2.21 NCc1nccnc1-c2ccccn2 Amb28191064 [0,0,1,0,0,0|2,0,1]=4 114 B15R2.21 O=Cc1ccccc1-c2ccccc2 Amb3941071 [0,0,1,0,0,0|3,0,0]=4 115 B15R2.21 O=Cc1ccccc1-c2ccccn2 Amb8010843 [0,0,1,0,0,0|2,0,0]=3 116 B15R2.21 O=Cc1ccccc1-c2cccnn2 Amb32679655 [0,0,1,0,0,0|3,0,0]=4 117 B15R2.21 O=Cc1ccccc1-c2cnccn2 Amb24757267 [0,0,1,0,0,0|3,0,0]=4 118 B15R2.21 O=Cc1ccccc1-c2ncccn2 Amb26503388 [0,0,1,0,0,0|3,0,0]=4 119 B15R2.21 O=Cc1cccnc1-c2ccccc2 Amb18129228 [0,0,1,0,0,0|2,0,0]=3 120 B15R2.21 O=Cc1cccnc1-c2cccnc2 Amb18822970 [0,0,1,0,0,0|3,0,0]=4 121 B15R2.21 O=Cc1cccnc1-c2ccncc2 Amb18822971 [0,0,1,0,0,0|3,0,0]=4 122 B15R2.21 O=Cc1cncnc1-c2ccccc2 Amb25355329 [0,0,1,0,0,0|3,0,0]=4 123 B15R2.21 O=Cc1ncccc1-c2ccccn2 Amb23402760 [0,0,1,0,0,0|3,0,0]=4 124 B15R2.21 O=Cc1nccnc1-c2ccccc2 Amb23598753 [0,0,1,0,0,0|3,0,0]=4 125 B15R2.21 OCc1ccccc1-c2ccccn2 Amb25299164 [0,0,1,0,0,0|2,0,1]=4 126 B15R2.21 OCc1cccnc1-c2ccccc2 Amb24415374 [0,0,1,0,0,0|2,0,1]=4 127 B15R2.352 C=CCCc1ccc2cccnc2c1 Amb35710867 [0,0,1,0,0,0|1,0,2]=4 128 B15R2.352 C=CCOc1ccc2cccnc2c1 Amb27968130 [0,0,1,0,0,0|2,0,1]=4 129 B15R2.352 CO\C=C\c1ccc2ccccc2c1 Amb27801069 [0,0,1,0,0,0|3,0,0]=4 130 B15R2.352 ClC\C=C\c1ccc2ccccc2c1 Amb27462981 [0,0,1,0,0,0|2,0,1]=4 131 B15R2.352 NC\C=C\c1ccc2ccccc2c1 Amb33474972 [0,0,1,0,0,0|1,0,2]=4 132 B15R2.352 NC\C=C\c1ccc2cccnc2c1 Amb32878858 [0,0,1,0,0,0|0,0,2]=3 133 B15R2.352 O=CCCc1ccc2cccnc2c1 Amb25738385 [0,0,1,0,0,0|1,0,2]=4 134 B15R2.352 O=C\C=C\c1ccc2ccccc2c1 Amb33359232 [0,0,1,0,0,0|2,0,0]=3 135 B15R2.352 O=C\C=C\c1ccc2ccccc2n1 Amb33449320 [0,0,1,0,0,0|3,0,0]=4 136 B15R2.352 O=C\C=C\c1ccc2cccnc2c1 Amb33449164 [0,0,1,0,0,0|1,0,0]=2 137 B15R2.352 O=C\C=C\c1ccc2ncccc2c1 Amb27849851 [0,0,1,0,0,0|3,0,0]=4 138 B15R2.352 O=C\C=C\c1cnc2ccccc2c1 Amb32954697 [0,0,1,0,0,0|3,0,0]=4 139 B15R2.352 OC\C=C\c1ccc2ccccc2c1 Amb33080350 [0,0,1,0,0,0|2,0,1]=4 140 B15R2.352 OC\C=C\c1ccc2cccnc2c1 Amb32878859 [0,0,1,0,0,0|1,0,1]=3 141 B15R2.555 Brc1ccccc1-c2ncccc2Br Amb24320840 [0,0,1,0,0,0|3,0,0]=4 142 B15R2.555 Brc1cccnc1-c2ncccc2Br Amb22752446 [0,0,1,0,0,0|2,0,0]=3 143 B15R2.555 Cc1ccccc1-c2ncccc2Br Amb24320701 [0,0,1,0,0,0|2,0,1]=4 144 B15R2.555 Cc1ccccc1-c2ncccc2N Amb2694075 [0,0,1,0,0,0|2,0,1]=4 145 B15R2.555 Cc1ccccc1-c2ncccc2O Amb24320702 [0,0,1,0,0,0|2,0,1]=4 146 B15R2.555 Cc1cccnc1-c2ccccc2F Amb27388700 [0,0,1,0,0,0|2,0,1]=4 147 B15R2.555 Cc1cccnc1-c2ccccc2N Amb27747250 [0,0,1,0,0,0|2,0,1]=4 148 B15R2.555 Clc1ccccc1-c2ncccc2Br Amb24320733 [0,0,1,0,0,0|3,0,0]=4 149 B15R2.555 Fc1ccccc1-c2ncccc2Cl Amb25696456 [0,0,1,0,0,0|3,0,0]=4 150 B15R2.555 Nc1ccccc1-c2ncccc2Br Amb24320726 [0,0,1,0,0,0|3,0,0]=4 151 B15R2.555 Nc1ccccc1-c2ncccc2N Amb24320728 [0,0,1,0,0,0|3,0,0]=4 152 B15R2.555 Nc1cccnc1-c2ccccc2Cl Amb18567172 [0,0,1,0,0,0|3,0,0]=4 153 B15R2.555 Nc1cccnc1-c2ccccc2F Amb18191097 [0,0,1,0,0,0|3,0,0]=4 154 B15R2.555 Nc1cccnc1-c2ncccc2N Amb9807052 [0,0,1,0,0,0|2,0,0]=3 155 B15R2.555 O=C1C=CC=N\C1=C2\NC=CC=C2O Amb24382060 [0,0,1,0,0,0|2,0,1]=4 156 B15R2.555 Oc1ccccc1-c2ncccc2O Amb26350336 [0,0,1,0,0,0|3,0,0]=4 157 B15R2.555 Oc1cccnc1-c2ccccc2Br Amb27658538 [0,0,1,0,0,0|3,0,0]=4 158 B15R2.555 Oc1cccnc1-c2ccccc2Cl Amb24728231 [0,0,1,0,0,0|3,0,0]=4 159 B15R2.555 Oc1cccnc1-c2ccccc2F Amb24320708 [0,0,1,0,0,0|3,0,0]=4 160 B15R2.555 Oc1cccnc1-c2ncccc2O Amb2719763 [0,0,1,0,0,0|2,0,0]=3 161 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 Amb8388336 [0,0,1,0,0,0|1,0,2]=4 162 B15R2.2195 C(#Cc1cccnc1)c2cccnc2 Amb16192298 [0,0,1,0,0,0|0,0,2]=3 163 B15R2.2195 C(=C/c1ccccc1)/c2ccccc2 Amb16192901 [0,0,1,0,0,0|2,0,0]=3 164 B15R2.2195 C(=C\c1ccccc1)/c2ccccc2 Amb18511865 [0,0,1,0,0,0|2,0,0]=3 165 B15R2.2195 C(=C\c1ccccn1)/c2ccccc2 Amb6430521 [0,0,1,0,0,0|3,0,0]=4 166 B15R2.2195 C(=C\c1ccccn1)/c2cccnc2 Amb4006368 [0,0,1,0,0,0|2,0,0]=3 167 B15R2.2195 C(=C\c1cccnc1)/c2ccccc2 Amb5718974 [0,0,1,0,0,0|1,0,0]=2 168 B15R2.2195 C(=C\c1cccnc1)/c2ccncc2 Amb27454085 [0,0,1,0,0,0|2,0,0]=3 169 B15R2.2195 C(=C\c1cccnn1)/c2ccccc2 Amb24589878 [0,0,1,0,0,0|2,0,0]=3 170 B15R2.2195 C(=C\c1ccncc1)/c2ccccc2 Amb2226978 [0,0,1,0,0,0|3,0,0]=4 171 B15R2.2195 C(=N\c1ccccc1)/c2ccccc2 Amb32411825 [0,0,1,0,0,0|3,0,0]=4 172 B15R2.2195 c1ccc(CNc2cccnc2)cc1 Amb2383000 [0,0,1,0,0,0|2,0,1]=4 173 B15R2.2195 c1ccc(COc2cccnc2)cc1 Amb21927728 [0,0,1,0,0,0|2,0,1]=4 174 B15R2.2195 c1ccc(NCc2cccnc2)cc1 Amb6356070 [0,0,1,0,0,0|2,0,1]=4 175 B15R2.2195 c1ccc(OCc2cccnc2)cc1 Amb27465872 [0,0,1,0,0,0|2,0,1]=4 176 B15R2.2195 c1ccc(SCc2cccnc2)cc1 Amb10632429 [0,0,1,0,0,0|2,0,1]=4 177 B15R2.2195 c1cncc(CNc2cccnc2)c1 Amb6686503 [0,0,1,0,0,0|1,0,1]=3 178 B15R2.2195 c1cncc(CNc2cncnc2)c1 Amb18933247 [0,0,1,0,0,0|2,0,1]=4 179 B15R2.2195 c1cncc(NCc2cncnc2)c1 Amb18996446 [0,0,1,0,0,0|2,0,1]=4 180 B15R2.2195 c1cncc(OCc2cnccn2)c1 Amb35722943 [0,0,1,0,0,0|2,0,1]=4 181 B15R2.2195 c1cncc(SSc2cccnc2)c1 Amb22002419 [0,0,1,0,0,0|2,0,0]=3 182 B15R2.2220 C=CCc1ccc2ccccc2c1F Amb24371373 [0,0,1,0,0,0|2,0,1]=4 183 B15R2.2220 C=CCc1ccc2ccccc2c1N Amb18129276 [0,0,1,0,0,0|1,0,2]=4 184 B15R2.2220 C=CCc1ccc2cncnc2c1O Amb28202390 [0,0,1,0,0,0|2,0,1]=4 185 B15R2.2220 C=COc1ccc2ccccc2c1Br Amb27456923 [0,0,1,0,0,0|3,0,0]=4 186 B15R2.2220 N\N=C\c1ccc2cccnc2c1O Amb27643678 [0,0,1,0,0,0|3,0,0]=4 187 B15R2.2220 O\N=C\c1ccc2cccnc2c1O Amb24698906 [0,0,1,0,0,0|3,0,0]=4 188 B15R2.9941 C=CCc1c(C)ccc2ccccc12 Amb26498756 [0,0,1,0,0,0|2,0,1]=4 189 B15R2.9941 O=C=Nc1c(Cl)ccc2cccnc12 Amb33220875 [0,0,1,0,0,0|2,0,1]=4 190 B15R2.9941 O=CCc1c(Cl)ccc2cccnc12 Amb33221249 [0,0,1,0,0,0|3,0,0]=4 191 B15R2.18471 BrC\C=C\c1cccc2cccnc12 Amb27589226 [0,0,1,0,0,0|2,0,1]=4 192 B15R2.18471 C=CCCc1cccc2cccnc12 Amb35710814 [0,0,1,0,0,0|1,0,1]=3 193 B15R2.18471 C=CCNc1cccc2ccccc12 Amb17306967 [0,0,1,0,0,0|1,0,2]=4 194 B15R2.18471 C=CCNc1cccc2cccnc12 Amb27746906 [0,0,1,0,0,0|0,0,2]=3 195 B15R2.18471 C=CCNc1ccnc2cccnc12 Amb27211801 [0,0,1,0,0,0|1,0,2]=4 196 B15R2.18471 C=CCOc1cccc2cccnc12 Amb3836126 [0,0,1,0,0,0|1,0,1]=3 197 B15R2.18471 C=CCSc1cccc2ccccc12 Amb3836171 [0,0,1,0,0,0|2,0,1]=4 198 B15R2.18471 C=CCSc1ccnc2cccnc12 Amb27667191 [0,0,1,0,0,0|2,0,1]=4 199 B15R2.18471 CO\C=C\c1cccc2cccnc12 Amb28135869 [0,0,1,0,0,0|2,0,1]=4 200 B15R2.18471 N#C\C=C\c1cccc2cccnc12 Amb18805011 [0,0,1,0,0,0|2,0,1]=4 201 B15R2.18471 O=C\C=C\c1cccc2ccccc12 Amb8385600 [0,0,1,0,0,0|3,0,0]=4 202 B15R2.18471 OC\C=C\c1cccc2cccnc12 Amb27773774 [0,0,1,0,0,0|2,0,1]=4 203 B15R3.3 c1ccc-2c(c1)Cc3ccccc32 Amb2793085 [0,0,0,0,1,0|2,0,1]=4 204 B15R3.3 c1ccc-2c(c1)Cc3cccnc32 Amb1056107 [0,0,0,0,1,0|1,0,1]=3 205 B15R3.3 c1ccc-2c(c1)Cc3cncnc32 Amb27862405 [0,0,0,0,1,0|2,0,1]=4 206 B15R3.3 c1ccc-2c(c1)Cc3nccnc32 Amb28243510 [0,0,0,0,1,0|2,0,1]=4 207 B15R3.3 c1ccc2c(c1)[i+]c3ccccc32 Amb22731766 [0,0,0,0,1,0|3,0,0]=4 208 B15R3.3 c1ccc2c(c1)cc3ccccn32 Amb27241354 [0,0,0,0,1,0|3,0,0]=4 209 B15R3.3 c1ccc2c(c1)cc3cccnn32 Amb28144982 [0,0,0,0,1,0|2,0,0]=3 210 B15R3.3 c1ccc2c(c1)nn3cccnc23 Amb27468611 [0,0,0,0,1,0|3,0,0]=4 211 B15R3.3 c1ccc2c(c1)oc3ccccc32 Amb6608847 [0,0,0,0,1,0|3,0,0]=4 212 B15R3.3 c1ccc2c(c1)oc3cccnc32 Amb27165193 [0,0,0,0,1,0|2,0,0]=3 213 B15R3.3 c1ccc2c(c1)sc3ccccc32 Amb2686709 [0,0,0,0,1,0|3,0,0]=4 214 B15R3.3 c1cnc-2c(c1)Cc3cccnc32 Amb26853147 [0,0,0,0,1,0|0,0,1]=2 215 B15R3.1739 C1=CN=C2C=CC3=NC=NC3=C2C1 Amb28118785 [0,0,0,0,1,0|3,0,0]=4 216 B15R3.1739 C1=COC2=C3N=CSC3=CCC2=C1 Amb27415379 [0,0,0,0,1,0|2,0,1]=4 217 B15R3.1739 C1=Cc2c(ccc3ccccc23)C1 Amb19887826 [0,0,0,0,1,0|1,0,1]=3 218 B15R3.1739 C1=Cc2cccnc2C3=NCN=C13 Amb25830609 [0,0,0,0,1,0|1,0,1]=3 219 B15R3.1739 C1=Cc2cnc3ccccc3c2C1 Amb28242950 [0,0,0,0,1,0|2,0,1]=4 220 B15R3.1739 c1cc2ccc3scnc3c2cn1 Amb27423948 [0,0,0,0,1,0|3,0,0]=4 221 B15R3.1739 c1cc2ccn3ccnc3c2cn1 Amb27807750 [0,0,0,0,1,0|3,0,0]=4 222 B15R3.1739 c1ccc2c(c1)ccc3ccnn32 Amb27229678 [0,0,0,0,1,0|2,0,0]=3 223 B15R3.1739 c1ccc2c(c1)ccc3ccsc32 Amb17666939 [0,0,0,0,1,0|2,0,0]=3 224 B15R3.1739 c1ccc2c(c1)ccc3ncsc32 Amb2540147 [0,0,0,0,1,0|3,0,0]=4 225 B15R3.1739 c1ccc2c(c1)ccc3nocc32 Amb25951882 [0,0,0,0,1,0|3,0,0]=4 226 B15R3.1739 c1ccc2c(c1)ccc3nonc32 Amb27767951 [0,0,0,0,1,0|3,0,0]=4 227 B15R3.1739 c1ccc2c(c1)ccc3nsnc32 Amb900713 [0,0,0,0,1,0|3,0,0]=4 228 B15R3.1739 c1ccc2c(c1)ccn3cccc23 Amb28243384 [0,0,0,0,1,0|2,0,0]=3 229 B15R3.1739 c1ccc2c(c1)ccn3ccnc23 Amb27411707 [0,0,0,0,1,0|2,0,0]=3 230 B15R3.1739 c1ccc2c(c1)ccn3cncc23 Amb27202162 [0,0,0,0,1,0|3,0,0]=4 231 B15R3.1739 c1ccc2c(c1)ccn3cnnc23 Amb27798386 [0,0,0,0,1,0|3,0,0]=4 232 B15R3.1739 c1ccc2c(c1)cnc3ccsc32 Amb27609547 [0,0,0,0,1,0|3,0,0]=4 233 B15R3.1739 c1ccc2c(c1)cnc3cscc32 Amb27627370 [0,0,0,0,1,0|3,0,0]=4 234 B15R3.1739 c1ccc2c(c1)cnc3occc32 Amb23437183 [0,0,0,0,1,0|3,0,0]=4 235 B15R3.1739 c1ccc2c(c1)cnn3ccnc23 Amb25254750 [0,0,0,0,1,0|3,0,0]=4 236 B15R3.1739 c1ccc2c(c1)ncc3ccsc32 Amb27830656 [0,0,0,0,1,0|3,0,0]=4 237 B15R3.1739 c1ccc2c(c1)ncc3cscc32 Amb27202728 [0,0,0,0,1,0|3,0,0]=4 238 B15R3.1739 c1ccc2c(c1)ncc3sccc32 Amb26430954 [0,0,0,0,1,0|3,0,0]=4 239 B15R3.1739 c1cnc-2c(c1)NCc3cccn32 Amb24651132 [0,0,0,0,1,0|2,0,1]=4 240 B15R3.1739 c1cnc2c(c1)ccc3nccn32 Amb27413091 [0,0,0,0,1,0|2,0,0]=3 241 B15R3.1739 c1cnc2c(c1)ccc3ncsc32 Amb28429963 [0,0,0,0,1,0|2,0,0]=3 242 B15R3.1739 c1cnc2c(c1)ccc3nnnn32 Amb2609861 [0,0,0,0,1,0|3,0,0]=4 243 B15R3.1739 c1cnc2c(c1)ccc3nonc32 Amb28067617 [0,0,0,0,1,0|2,0,0]=3 244 B15R3.1739 c1cnc2c(c1)ccc3scnc32 Amb27423816 [0,0,0,0,1,0|1,0,0]=2 245 B15R3.1739 c1cnc2c(c1)cnc3sccc32 Amb2611401 [0,0,0,0,1,0|2,0,0]=3 246 B15R3.1739 c1cnc2c(c1)ncc3sccc32 Amb2611723 [0,0,0,0,1,0|2,0,0]=3 247 B15R3.1739 c1cnc2c(c1)ncn3cnnc23 Amb28365916 [0,0,0,0,1,0|3,0,0]=4 248 B15R3.1739 c1cnc2c(ccc3ncsc32)n1 Amb26038960 [0,0,0,0,1,0|3,0,0]=4 249 B15R3.1739 c1cnc2c(ccc3nocc32)n1 Amb25800836 [0,0,0,0,1,0|3,0,0]=4 250 B15R3.1739 c1cnc2c(ccc3nonc32)n1 Amb25060059 [0,0,0,0,1,0|3,0,0]=4 251 B15R3.1739 c1cnc2c(ccc3scnc32)n1 Amb25142392 [0,0,0,0,1,0|2,0,0]=3 252 B15R3.1739 c1cnc2c(n1)ncn3ccnc23 Amb27640133 [0,0,0,0,1,0|3,0,0]=4 253 B15R3.1739 c1cnc2ccc3scnc3c2c1 Amb28365979 [0,0,0,0,1,0|3,0,0]=4 254 B17R3.1830 C1=Cc2ccccc2Cc3ccccc31 Amb2387203 [0,0,0,0,0,1|2,0,0]=3 255 B17R3.1830 C1=Cc2ccccc2Nc3ccccc31 Amb2746847 [0,0,0,0,0,1|2,0,0]=3 256 B17R3.1830 C1=Nc2ccccc2Oc3ccccc31 Amb6384672 [0,0,0,0,0,1|3,0,0]=4 257 B17R3.1832 C1=CC=C2CC(=C1)C=Cc3ccccc32 Amb17778327 [0,0,0,0,0,1|2,0,0]=3 258 B17R3.1963 C1=Cc2ccccc2-c3ccccc3N1 Amb33948453 [0,0,0,0,0,1|2,0,0]=3 259 B14R2.24 Brc1ccccc1-c2ccccn2 Amb22000997 [1,0,1,0,0,0|2,0,0]=4 260 B14R2.24 Brc1cccnc1-c2ccccc2 Amb19959355 [1,0,1,0,0,0|2,0,0]=4 261 B14R2.24 Brc1cccnc1-c2ccccn2 Amb24320684 [1,0,1,0,0,0|1,0,0]=3 262 B14R2.24 Cc1ccccc1-c2ccccn2 Amb9779079 [1,0,1,0,0,0|1,0,1]=4 263 B14R2.24 Cc1cccnc1-c2ccccc2 Amb6358106 [1,0,1,0,0,0|1,0,1]=4 264 B14R2.24 Cc1cccnc1-c2ccccn2 Amb13890800 [1,0,1,0,0,0|0,0,1]=3 265 B14R2.24 Clc1cccnc1-c2ccccc2 Amb24099912 [1,0,1,0,0,0|2,0,0]=4 266 B14R2.24 Clc1cccnc1-c2ccccn2 Amb27179378 [1,0,1,0,0,0|1,0,0]=3 267 B14R2.24 Clc1nccnc1-c2ccccn2 Amb29862682 [1,0,1,0,0,0|2,0,0]=4 268 B14R2.24 Fc1ccccc1-c2ccccn2 Amb24096965 [1,0,1,0,0,0|2,0,0]=4 269 B14R2.24 Fc1cccnc1-c2ccccc2 Amb28398264 [1,0,1,0,0,0|2,0,0]=4 270 B14R2.24 Ic1ccccc1-c2ccccn2 Amb24637860 [1,0,1,0,0,0|2,0,0]=4 271 B14R2.24 Nc1ccccc1-c2ccccn2 Amb2695287 [1,0,1,0,0,0|2,0,0]=4 272 B14R2.24 Nc1cccnc1-c2ccccc2 Amb10070336 [1,0,1,0,0,0|2,0,0]=4 273 B14R2.24 Nc1cccnc1-c2ccccc2 Amb8631172 [1,0,1,0,0,0|2,0,0]=4 274 B14R2.24 Nc1cccnc1-c2ccccn2 Amb16233861 [1,0,1,0,0,0|1,0,0]=3 275 B14R2.24 Nc1cccnc1-c2cnccn2 Amb27389624 [1,0,1,0,0,0|2,0,0]=4 276 B14R2.24 Nc1nccnc1-c2ccccn2 Amb35678199 [1,0,1,0,0,0|2,0,0]=4 277 B14R2.24 Oc1ccccc1-c2ccccn2 Amb18647487 [1,0,1,0,0,0|2,0,0]=4 278 B14R2.24 Oc1cccnc1-c2ccccc2 Amb575109 [1,0,1,0,0,0|2,0,0]=4 279 B14R2.24 Oc1cccnc1-c2ccccn2 Amb18647621 [1,0,1,0,0,0|1,0,0]=3 280 B14R2.112 Br\C=C\c1ccc2ccccc2c1 Amb8392462 [1,0,1,0,0,0|2,0,0]=4 281 B14R2.112 C=CCc1ccc2ccccc2c1 Amb6299563 [1,0,1,0,0,0|1,0,1]=4 282 B14R2.112 C=CCc1ccc2cccnc2c1 Amb27765539 [1,0,1,0,0,0|0,0,1]=3 283 B14R2.112 C=CCc1cnc2cccnc2c1 Amb13890077 [1,0,1,0,0,0|1,0,1]=4 284 B14R2.112 C=CNc1ccc2ccccc2c1 Amb27482779 [1,0,1,0,0,0|2,0,0]=4 285 B14R2.112 C=COc1ccc2cccnc2c1 Amb27617590 [1,0,1,0,0,0|1,0,0]=3 286 B14R2.112 Cl\C=C\c1ccc2ccccc2c1 Amb8392458 [1,0,1,0,0,0|2,0,0]=4 287 B14R2.112 O=CCc1ccc2cccnc2c1 Amb24065247 [1,0,1,0,0,0|1,0,1]=4 288 B14R2.112 O\N=C\c1ccc2cccnc2c1 Amb27186089 [1,0,1,0,0,0|2,0,0]=4 289 B14R2.92 C=Cc1ccc2ccccc2c1Br Amb27400948 [1,0,1,0,0,0|2,0,0]=4 290 B14R2.92 C=Cc1ccc2ccccc2c1N Amb27796207 [1,0,1,0,0,0|1,0,1]=4 291 B14R2.92 C=Cc1ccc2cccnc2c1O Amb28436506 [1,0,1,0,0,0|1,0,0]=3 292 B14R2.92 Nc1c(C=O)ccc2cccnc12 Amb13883520 [1,0,1,0,0,0|1,0,1]=4 293 B14R2.92 O=Cc1ccc2cccnc2c1Br Amb23441934 [1,0,1,0,0,0|2,0,0]=4 294 B14R2.92 O=Cc1ccc2cccnc2c1O Amb17933803 [1,0,1,0,0,0|2,0,0]=4 295 B14R2.203 C=Cc1c(Cl)ccc2cccnc12 Amb33221258 [1,0,1,0,0,0|1,0,0]=3 296 B14R2.203 C=Cc1c(O)ccc2ccccc12 Amb33227090 [1,0,1,0,0,0|2,0,0]=4 297 B14R2.203 Cc1ccc2cccnc2c1C=O Amb27587243 [1,0,1,0,0,0|1,0,1]=4 298 B14R2.203 O=Cc1c(Br)ccc2cccnc12 Amb22498508 [1,0,1,0,0,0|2,0,0]=4 299 B14R2.203 O=Cc1c(Cl)ccc2cccnc12 Amb19373769 [1,0,1,0,0,0|2,0,0]=4 300 B14R2.203 O=Cc1c(F)ccc2cccnc12 Amb22494979 [1,0,1,0,0,0|2,0,0]=4 301 B14R2.203 O=Cc1c(O)ccc2cccnc12 Amb23504049 [1,0,1,0,0,0|2,0,0]=4 302 B14R2.203 O=Nc1c(O)ccc2cccnc12 Amb27209817 [1,0,1,0,0,0|2,0,0]=4 303 B14R2.7150 C=CCc1cccc2ccccc12 Amb4020325 [1,0,1,0,0,0|1,0,1]=4 304 B14R2.7150 C=CCc1cccc2cccnc12 Amb28141871 [1,0,1,0,0,0|0,0,1]=3 305 B14R2.7150 C=CSc1cccc2cccnc12 Amb27967423 [1,0,1,0,0,0|1,0,0]=3 306 B14R2.7150 C\C=N\c1cccc2cccnc12 Amb27962583 [1,0,1,0,0,0|0,0,1]=3 307 B14R2.7150 N\N=C\c1cccc2cccnc12 Amb28455622 [1,0,1,0,0,0|2,0,0]=4 308 B14R2.7150 O=CNc1cccc2cccnc12 Amb27408119 [1,0,1,0,0,0|1,0,1]=4 309 B14R2.7150 S=C=Nc1cccc2cccnc12 Amb6673207 [1,0,1,0,0,0|1,0,1]=4 310 B14R2.7150 [N-]=[N+]=Nc1cccc2cccnc12 Amb33545876 [1,0,1,0,0,0|2,0,0]=4 311 B16R2.15 Cc1cnc(-c2ccccc2)c(C=O)c1 Amb33872931 [0,1,1,0,0,0|2,0,0]=4 312 B16R2.26 Cc1ccc(-c2ncccc2C=O)cc1 Amb18812467 [0,1,1,0,0,0|2,0,0]=4 313 B16R2.26 N#Cc1cccnc1-c2ccc(Cl)cn2 Amb10601482 [0,1,1,0,0,0|1,0,1]=4 314 B16R2.26 O=Cc1ccccc1-c2ccc(Br)cn2 Amb35655779 [0,1,1,0,0,0|2,0,0]=4 315 B16R2.26 O=Cc1cccnc1-c2ccc(Cl)cc2 Amb6384237 [0,1,1,0,0,0|2,0,0]=4 316 B16R2.26 O=Cc1cccnc1-c2ccc(F)cc2 Amb6384236 [0,1,1,0,0,0|2,0,0]=4 317 B16R2.26 OCc1cccnc1-c2ccc(Cl)cn2 Amb10601484 [0,1,1,0,0,0|1,0,1]=4 318 B16R2.87 CC(=O)c1ccccc1-c2ccccn2 Amb25907080 [0,1,1,0,0,0|1,0,1]=4 319 B16R2.87 O=C(O)c1ccccc1-c2ccccn2 Amb17136670 [0,1,1,0,0,0|2,0,0]=4 320 B16R2.87 O=C(O)c1cccnc1-c2ccccc2 Amb8010824 [0,1,1,0,0,0|2,0,0]=4 321 B16R2.87 O=C(O)c1cccnc1-c2ccccn2 Amb16230611 [0,1,1,0,0,0|1,0,0]=3 322 B16R2.87 O=C(O)c1cncnc1-c2ccccn2 Amb31116162 [0,1,1,0,0,0|2,0,0]=4 323 B16R2.87 O=C(O)c1nccnc1-c2ccccn2 Amb31172491 [0,1,1,0,0,0|2,0,0]=4 324 B16R2.98 C=CCc1ccccc1-c2ccccc2 Amb6299196 [0,1,1,0,0,0|2,0,0]=4 325 B16R2.2245 Cc1cccc(-c2ncccc2C=O)c1 Amb18812469 [0,1,1,0,0,0|2,0,0]=4 326 B16R2.2245 N#Cc1cccnc1-c2cc(N)ccn2 Amb10601312 [0,1,1,0,0,0|1,0,1]=4 327 B16R2.2245 N#Cc1cccnc1-c2cccc(Br)n2 Amb10598977 [0,1,1,0,0,0|1,0,1]=4 328 B16R2.2245 Nc1ccnc(-c2ncccc2CO)c1 Amb10601314 [0,1,1,0,0,0|1,0,1]=4 329 B16R2.2245 O=Cc1ccccc1-c2cccc(Br)n2 Amb19957448 [0,1,1,0,0,0|2,0,0]=4 330 B16R2.2245 O=Cc1cccnc1-c2cccc(Cl)c2 Amb18170347 [0,1,1,0,0,0|2,0,0]=4 331 B16R2.2245 OCc1cccnc1-c2cccc(Br)n2 Amb10598979 [0,1,1,0,0,0|1,0,1]=4 332 B16R2.2474 Cc1ccccc1-c2ncccc2C=O Amb18812468 [0,1,1,0,0,0|2,0,0]=4 333 B16R2.2474 O=Cc1cccnc1-c2ccccc2Cl Amb18170365 [0,1,1,0,0,0|2,0,0]=4 334 B16R2.2602 O=Cc1c(F)cccc1-c2ccccn2 Amb24536593 [0,1,1,0,0,0|2,0,0]=4 335 B16R2.477 CC(=O)\C=C\c1ccc2ccccc2c1 Amb27603881 [0,1,1,0,0,0|2,0,0]=4 336 B16R2.477 CC(=O)\C=C\c1ccc2cccnc2c1 Amb32878555 [0,1,1,0,0,0|1,0,0]=3 337 B16R2.477 CC(N)\C=C\c1ccc2cccnc2c1 Amb32878538 [0,1,1,0,0,0|0,0,2]=4 338 B16R2.477 O=C(O)\C=C\c1ccc2ccccc2c1 Amb33788000 [0,1,1,0,0,0|2,0,0]=4 339 B16R2.477 O=C(O)\C=C\c1ccc2cccnc2c1 Amb33171755 [0,1,1,0,0,0|1,0,0]=3 340 B16R2.477 O=C(O)\C=C\c1ccc2nccnc2c1 Amb33470005 [0,1,1,0,0,0|2,0,0]=4 341 B16R2.477 O=C([O-])\C=C\c1ccc2ccccc2c1 Amb33513309 [0,1,1,0,0,0|2,0,0]=4 342 B16R2.477 O=[N+]([O-])\C=C\c1ccc2cccnc2c1 Amb33449591 [0,1,1,0,0,0|2,0,0]=4 343 B16R2.767 C\C=C\C(=O)c1ccc2ccccc2c1 Amb28192492 [0,1,1,0,0,0|2,0,0]=4 344 B16R2.767 O=C(\C=C\Cl)c1ccc2ccccc2c1 Amb35609468 [0,1,1,0,0,0|2,0,0]=4 345 B16R2.767 O=C(\C=C\Cl)c1ccc2cccnc2n1 Amb35628625 [0,1,1,0,0,0|2,0,0]=4 346 B16R2.767 O=C(\C=C\Cl)c1ccc2nccnc2c1 Amb35609141 [0,1,1,0,0,0|2,0,0]=4 347 B16R2.767 O=C\C=C(\Cl)c1ccc2ccccc2c1 Amb24523365 [0,1,1,0,0,0|2,0,0]=4 348 B16R2.2441 BrCC\C=C\c1ccc2cccnc2c1 Amb27438975 [0,1,1,0,0,0|1,0,1]=4 349 B16R2.5347 C\C(C=O)=C\c1ccc2ccccc2c1 Amb27397877 [0,1,1,0,0,0|2,0,0]=4 350 B16R2.71 Brc1ncccc1OCc2cccnc2 Amb10601228 [0,1,1,0,0,0|1,0,1]=4 351 B16R2.71 Cc1ccncc1NCc2cccnc2 Amb33496309 [0,1,1,0,0,0|1,0,1]=4 352 B16R2.71 Cc1ncccc1NCc2cccnc2 Amb33363175 [0,1,1,0,0,0|1,0,1]=4 353 B16R2.71 Nc1ccccc1\C=C\c2ccccc2 Amb21947815 [0,1,1,0,0,0|2,0,0]=4 354 B16R2.71 Nc1ncccc1OCc2cccnc2 Amb9208365 [0,1,1,0,0,0|1,0,1]=4 355 B16R2.71 Nc1ncccc1\N=C\c2ccccc2 Amb16186861 [0,1,1,0,0,0|2,0,0]=4 356 B16R2.71 Oc1ccccc1\C=C\c2ccccc2 Amb17920449 [0,1,1,0,0,0|2,0,0]=4 357 B16R2.71 [NH3+]c1ccccc1\C=C/c2ccccc2 Amb31302363 [0,1,1,0,0,0|2,0,0]=4 358 B16R2.71 [NH3+]c1ccccc1\C=C\c2ccccc2 Amb17777295 [0,1,1,0,0,0|2,0,0]=4 359 B16R2.88 Cl\C(=N/c1cccnc1)c2ccccc2 Amb32668811 [0,1,1,0,0,0|2,0,0]=4 360 B16R2.88 N\C(=N/c1cccnc1)c2ccccc2 Amb33362314 [0,1,1,0,0,0|2,0,0]=4 361 B16R2.88 O=C(Cc1ccccc1)c2cccnc2 Amb5720532 [0,1,1,0,0,0|1,0,1]=4 362 B16R2.88 O=C(Cc1cccnc1)c2cnccn2 Amb27948372 [0,1,1,0,0,0|1,0,1]=4 363 B16R2.88 O=C(Nc1ccccc1)c2cccnc2 Amb1195992 [0,1,1,0,0,0|2,0,0]=4 364 B16R2.88 O=C(Nc1cccnc1)c2ccccc2 Amb3368143 [0,1,1,0,0,0|2,0,0]=4 365 B16R2.88 O=C(Nc1cccnc1)c2cnccn2 Amb9885837 [0,1,1,0,0,0|2,0,0]=4 366 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 Amb4017594 [0,1,1,0,0,0|2,0,0]=4 367 B16R2.88 O=C(Oc1cccnc1)c2ccccc2 Amb2609761 [0,1,1,0,0,0|2,0,0]=4 368 B16R2.88 [O-]\[N+](=N\c1cccnc1)c2cccnc2 Amb2609704 [0,1,1,0,0,0|2,0,0]=4 369 B16R2.132 Brc1ccc(OCc2cccnc2)cn1 Amb27414119 [0,1,1,0,0,0|1,0,1]=4 370 B16R2.132 Brc1ccc(\C=C\c2ccccc2)cc1 Amb4035121 [0,1,1,0,0,0|2,0,0]=4 371 B16R2.132 Cc1ccc(NCc2cccnc2)cn1 Amb33441965 [0,1,1,0,0,0|1,0,1]=4 372 B16R2.132 Cc1ccc(\C=C\c2ccccc2)cc1 Amb24323238 [0,1,1,0,0,0|2,0,0]=4 373 B16R2.132 Clc1ccc(\C=C\c2ccccc2)cc1 Amb10568579 [0,1,1,0,0,0|2,0,0]=4 374 B16R2.132 Nc1ccc(NCc2cccnc2)cn1 Amb7768119 [0,1,1,0,0,0|1,0,1]=4 375 B16R2.132 Nc1ccc(OCc2cccnc2)cn1 Amb31112292 [0,1,1,0,0,0|1,0,1]=4 376 B16R2.132 Nc1ccc(\C=C\c2ccccc2)cc1 Amb33513281 [0,1,1,0,0,0|2,0,0]=4 377 B16R2.132 Oc1ccc(\C=C\c2ccccc2)cc1 Amb6357380 [0,1,1,0,0,0|2,0,0]=4 378 B16R2.132 Oc1ccc(\N=C\c2cccnc2)cc1 Amb6344039 [0,1,1,0,0,0|2,0,0]=4 379 B16R2.252 Nc1cccc(\C=C\c2ccccc2)c1 Amb18137668 [0,1,1,0,0,0|2,0,0]=4 380 B16R2.252 Oc1cccc(\C=C\c2ccccc2)c1 Amb6296671 [0,1,1,0,0,0|2,0,0]=4 381 B16R2.21692 C=CCc1cc(Cl)c2cccnc2c1O Amb22263883 [0,1,1,0,0,0|1,0,1]=4 382 B16R2.30013 O=C\C=C\c1c(Cl)ccc2cccnc12 Amb33221290 [0,1,1,0,0,0|2,0,0]=4 383 B16R2.34040 C=CC(=O)c1c(Cl)ccc2cccnc12 Amb33220898 [0,1,1,0,0,0|2,0,0]=4 384 B16R2.34040 C=CC(O)c1c(Cl)ccc2cccnc12 Amb33220895 [0,1,1,0,0,0|2,0,0]=4 385 B16R2.160202 O=C(\C=C\Cl)c1cccc2cccnc12 Amb35609154 [0,1,1,0,0,0|2,0,0]=4 386 B16R2.170412 C=CC(=O)Oc1cccc2ccccc12 Amb9787004 [0,1,1,0,0,0|2,0,0]=4 387 B16R2.170412 C=CC(=O)Oc1cccc2cccnc12 Amb21858906 [0,1,1,0,0,0|1,0,0]=3 388 B16R2.170412 C\C(C=O)=C\c1cccc2cccnc12 Amb27825252 [0,1,1,0,0,0|2,0,0]=4 389 B16R2.179941 C=C(Br)COc1cccc2cccnc12 Amb27664306 [0,1,1,0,0,0|1,0,1]=4 390 B16R2.179941 O=C(O)\C=C\c1cccc2cccnc12 Amb511836 [0,1,1,0,0,0|2,0,0]=4 391 B16R3.2583 O=C1C=CC2=C(N1)c3ncccc3C2 Amb28068863 [0,1,0,0,1,0|0,0,2]=4 392 B16R3.2637 Nc1cnc2c(c1)sc3ccccc32 Amb27962418 [0,1,0,0,1,0|2,0,0]=4 393 B16R3.3329 Nc1ccnc-2c1Cc3ccccc32 Amb4059218 [0,1,0,0,1,0|1,0,1]=4 394 B16R3.3329 Nc1ncnc2c1oc3cccnc32 Amb28118452 [0,1,0,0,1,0|2,0,0]=4 395 B16R3.20606 C=C1c2ccccc2-c3ccccc31 Amb10575214 [0,1,0,0,1,0|2,0,0]=4 396 B16R3.20606 N=C1c2ccccc2-c3ccccc31 Amb4016835 [0,1,0,0,1,0|2,0,0]=4 397 B16R3.20606 O=C1c2ccccc2-c3ccccc31 Amb1021887 [0,1,0,0,1,0|2,0,0]=4 398 B16R3.20606 O=C1c2cccnc2-c3ncccc31 Amb1068282 [0,1,0,0,1,0|0,0,0]=2 399 B16R3.20606 OC1c2ccccc2-c3ncccc31 Amb2427405 [0,1,0,0,1,0|1,0,1]=4 400 B16R3.20606 OC1c2cccnc2-c3ncccc31 Amb9768111 [0,1,0,0,1,0|0,0,1]=3 401 B16R3.335 CC1=Cc2c(ccc3ccccc23)C1 Amb21964649 [0,1,0,0,1,0|1,0,1]=4 402 B16R3.335 Cc1nc2c(ccc3ccccc32)s1 Amb1151328 [0,1,0,0,1,0|2,0,0]=4 403 B16R3.335 Cc1nc2c(ccc3nccnc32)s1 Amb27423794 [0,1,0,0,1,0|2,0,0]=4 404 B16R3.335 Clc1nc2c(ccc3ccccc32)s1 Amb26905769 [0,1,0,0,1,0|2,0,0]=4 405 B16R3.335 Nc1cc2c(ccc3ccccc32)s1 Amb27747128 [0,1,0,0,1,0|2,0,0]=4 406 B16R3.335 Nc1nc2c(ccc3ccccc32)o1 Amb23594666 [0,1,0,0,1,0|2,0,0]=4 407 B16R3.335 Nc1nc2c(ccc3ccccc32)s1 Amb1103951 [0,1,0,0,1,0|2,0,0]=4 408 B16R3.335 O=C1Cc2ccc3cccnc3c2N1 Amb28203435 [0,1,0,0,1,0|0,0,2]=4 409 B16R3.335 Oc1nc2c(ccc3ccccc32)o1 Amb8479568 [0,1,0,0,1,0|2,0,0]=4 410 B16R3.335 S=c1nc2ccc3ccccc3c2n1 Amb16191971 [0,1,0,0,1,0|2,0,0]=4 411 B16R3.2620 Cc1cnc2c3ccccc3ccn12 Amb17470669 [0,1,0,0,1,0|2,0,0]=4 412 B16R3.2620 Cc1coc2c1ccc3ccccc32 Amb28120939 [0,1,0,0,1,0|2,0,0]=4 413 B16R3.2620 Nc1snc2c1ccc3ccccc32 Amb27236917 [0,1,0,0,1,0|2,0,0]=4 414 B16R3.2620 O=C1CCc2c1ccc3cccnc23 Amb27632264 [0,1,0,0,1,0|0,0,2]=4 415 B16R3.3350 Nc1cccc2c1ccc3cccn32 Amb2423424 [0,1,0,0,1,0|2,0,0]=4 416 B16R3.3350 Oc1cccc2c1ccc3ccsc32 Amb27585775 [0,1,0,0,1,0|2,0,0]=4 417 B16R3.3510 Clc1nc2cccnc2c3sccc13 Amb2611400 [0,1,0,0,1,0|2,0,0]=4 418 B16R3.3510 O=C1Nc2cccnc2-n3cccc31 Amb27601459 [0,1,0,0,1,0|2,0,0]=4 419 B16R3.3510 Oc1cc2ccccc2c3sccc13 Amb27164554 [0,1,0,0,1,0|2,0,0]=4 420 B16R3.11020 Brc1ccc2ccc3c(c2c1)C=CC3 Amb27388821 [0,1,0,0,1,0|1,0,1]=4 421 B16R3.11020 Brc1ccc2ccc3sccc3c2c1 Amb2614526 [0,1,0,0,1,0|2,0,0]=4 422 B16R3.11020 Brc1ccc2ncc3sccc3c2n1 Amb2611763 [0,1,0,0,1,0|2,0,0]=4 423 B16R3.11020 Cc1ccc2ccc3c(c2c1)CC=C3 Amb24753249 [0,1,0,0,1,0|1,0,1]=4 424 B16R3.11020 O=C1C=Cc2ccc3ccoc3c2O1 Amb28344682 [0,1,0,0,1,0|2,0,0]=4 425 B16R3.11020 O=C1C=Cc2ccc3occc3c2N1 Amb28388648 [0,1,0,0,1,0|1,0,1]=4 426 B16R3.11020 O=C1C=Cc2ccc3occc3c2O1 Amb19130532 [0,1,0,0,1,0|2,0,0]=4 427 B16R3.13490 Clc1cc2ncoc2c3ncccc13 Amb28051697 [0,1,0,0,1,0|2,0,0]=4 428 B16R3.13490 Oc1cc2ccsc2c3ccccc13 Amb28122430 [0,1,0,0,1,0|2,0,0]=4 429 B16R3.17392 Brc1csc2cnc3cccnc3c12 Amb2611756 [0,1,0,0,1,0|2,0,0]=4 430 B16R3.17392 Nc1onc2ccc3cccnc3c12 Amb28146020 [0,1,0,0,1,0|2,0,0]=4 431 B18R3.4127 Clc1ccc2c(c1)C=Cc3ccccc3O2 Amb22169720 [0,1,0,0,0,1|2,0,0]=4 432 B18R3.32275 Nc1ccc2c(c1)Oc3ccccc3C=C2 Amb1068333 [0,1,0,0,0,1|2,0,0]=4 433 B18R3.59194 O=C1c2ccccc2C=Cc3ccccc31 Amb19886545 [0,1,0,0,0,1|2,0,0]=4 434 B18R3.59194 OC1c2ccccc2C=Cc3ccccc31 Amb4605912 [0,1,0,0,0,1|2,0,0]=4 435 B18R3.92719 NC1=Nc2ccccc2Sc3ncccc31 Amb7093958 [0,1,0,0,0,1|2,0,0]=4 436 B18R3.92719 O=C1Nc2ccccc2Nc3ncccc31 Amb17835246 [0,1,0,0,0,1|2,0,0]=4 437 B18R3.92719 O=C1Nc2ccccc2Oc3ncccc31 Amb4051282 [0,1,0,0,0,1|2,0,0]=4 438 B18R3.92719 O=C1Nc2cccnc2Nc3ccccc31 Amb17774693 [0,1,0,0,0,1|2,0,0]=4 439 B18R3.92719 O=C1Nc2cccnc2Sc3ccccc31 Amb10073587 [0,1,0,0,0,1|2,0,0]=4 440 B18R3.92719 S=C1Nc2cccnc2Nc3ccccc31 Amb17845255 [0,1,0,0,0,1|2,0,0]=4 441 B18R3.112707 O=C1C=Cc2ccccc2-c3ccccc31 Amb21948170 [0,1,0,0,0,1|2,0,0]=4 442 B18R3.28 CCc1ccc2c(ccc3ccccc32)c1 Amb4017311 [0,2,0,0,0,0|2,0,0]=4 443 B18R3.28 O=Cc1ccc2c(ccc3ccccc32)c1 Amb16233108 [0,2,0,0,0,0|2,0,0]=4 444 B18R3.28 OCc1ccc2c(ccc3ccccc32)c1 Amb8389052 [0,2,0,0,0,0|2,0,0]=4 445 B18R3.6310 Clc1nc2ccc3ccccc3c2nc1Cl Amb33307080 [0,2,0,0,0,0|2,0,0]=4 446 B18R3.6310 O=c1oc2c(ccc3ccccc32)cc1Cl Amb2613131 [0,2,0,0,0,0|2,0,0]=4 447 B18R3.34464 Brc1cnc2c(ccc3cc(Br)cnc32)c1 Amb10602204 [0,2,0,0,0,0|0,0,0]=2 448 B18R3.9713 O=Cc1ccnc2c1ccc3cccnc32 Amb22495814 [0,2,0,0,0,0|0,0,0]=2 449 B18R3.89304 Brc1ccnc2c1ccc3c(Br)ccnc32 Amb20621133 [0,2,0,0,0,0|0,0,0]=2 450 B18R3.89304 Cc1ccnc2c1ccc3c(C)ccnc32 Amb2704442 [0,2,0,0,0,0|0,0,0]=2 451 B18R3.89304 Cc1ccnc2c1ccc3c(C)ccnc32 Amb6335847 [0,2,0,0,0,0|0,0,0]=2 452 B18R3.89304 Clc1ccnc2c1ccc3c(Cl)ccnc32 Amb22276899 [0,2,0,0,0,0|0,0,0]=2 453 B18R3.89304 Nc1ccnc2c1ccc3c(N)ccnc32 Amb35825149 [0,2,0,0,0,0|0,0,0]=2 454 B18R3.89304 Oc1ccnc2c1ccc3c(O)ccnc32 Amb1045785 [0,2,0,0,0,0|0,0,0]=2 455 B18R3.98509 Cc1ccc(C)c2c1ccc3ccccc32 Amb6296296 [0,2,0,0,0,0|2,0,0]=4 456 B18R3.108725 Cc1cc(C)c2ccc3ccccc3c2n1 Amb1014518 [0,2,0,0,0,0|1,0,0]=3 457 B18R3.108725 Cc1cc(Cl)c2ccc3ccccc3c2n1 Amb3998465 [0,2,0,0,0,0|1,0,0]=3 458 B18R3.108725 Cc1cc(S)c2ccc3ccccc3c2n1 Amb24120186 [0,2,0,0,0,0|1,0,0]=3 459 B18R3.108725 Cc1cc(S)c2ccc3cccnc3c2n1 Amb24120197 [0,2,0,0,0,0|0,0,0]=2 460 B18R3.415488 Cc1ccc2ccc3c(C)cccc3c2c1 Amb29471929 [0,2,0,0,0,0|2,0,0]=4 461 B18R3.17013 CCc1ccc2ccc3ccccc3c2c1 Amb15692734 [0,2,0,0,0,0|2,0,0]=4 462 B18R3.17013 N#Cc1ccc2ccc3cccnc3c2n1 Amb22235995 [0,2,0,0,0,0|0,0,0]=2 463 B18R3.17013 O=Cc1ccc2ccc3ccccc3c2c1 Amb17689446 [0,2,0,0,0,0|2,0,0]=4 464 B18R3.17013 O=Cc1ccc2ccc3ccccc3c2n1 Amb3931342 [0,2,0,0,0,0|1,0,0]=3 465 B18R3.17013 O=Cc1ccc2ccc3cccnc3c2n1 Amb779492 [0,2,0,0,0,0|0,0,0]=2 466 B18R3.17013 OCc1ccc2ccc3ccccc3c2c1 Amb2609113 [0,2,0,0,0,0|2,0,0]=4 467 B18R3.32850 C[n+]1cccc2ccc3ccc(Cl)nc3c21 Amb23453333 [0,2,0,0,0,0|0,0,1]=3 468 B18R3.32851 Brc1ccc2ccc3ccc(Br)cc3c2c1 Amb22301515 [0,2,0,0,0,0|2,0,0]=4 469 B18R3.32851 Brc1ccc2ccc3ccc(Br)nc3c2n1 Amb20620922 [0,2,0,0,0,0|0,0,0]=2 470 B18R3.32851 Cc1ccc2ccc3ccc(C)cc3c2c1 Amb2614716 [0,2,0,0,0,0|2,0,0]=4 471 B18R3.32851 Cc1ccc2ccc3ccc(C)nc3c2n1 Amb21964441 [0,2,0,0,0,0|0,0,0]=2 472 B18R3.32851 Cc1ccc2ccc3ccc(C)nc3c2n1 Amb6335848 [0,2,0,0,0,0|0,0,0]=2 473 B18R3.32851 Cc1ccc2ccc3ccc(C)nc3c2n1 Amb9786594 [0,2,0,0,0,0|0,0,0]=2 474 B18R3.32851 Cc1ccc2ccc3ccc(C)nc3c2n1 Amb9816751 [0,2,0,0,0,0|0,0,0]=2 475 B18R3.32851 Clc1ccc2ccc3ccc(Cl)nc3c2n1 Amb3482990 [0,2,0,0,0,0|0,0,0]=2 476 B18R3.32867 Cc1ccc2ccc3ccccc3c2[n+]1C Amb23453335 [0,2,0,0,0,0|1,0,1]=4 477 B18R3.93442 Cc1nc2ccc(F)cc2c3ncccc13 Amb2795569 [0,2,0,0,0,0|2,0,0]=4 478 B18R3.93442 Nc1cc2ccc(Cl)cc2c3ccccc13 Amb23560213 [0,2,0,0,0,0|2,0,0]=4 479 B18R3.93442 Nc1ccc2cc(Br)c3ccccc3c2c1 Amb6331144 [0,2,0,0,0,0|2,0,0]=4 480 B18R3.151612 O=Cc1cccc2ccc3ccccc3c12 Amb9871404 [0,2,0,0,0,0|2,0,0]=4 481 B18R3.159486 Br[Mg]c1cc2ccccc2c3ccccc13 Amb6300345 [0,2,0,0,0,0|2,0,0]=4 482 B18R3.159486 C#Cc1cc2ccccc2c3ccccc13 Amb22230199 [0,2,0,0,0,0|2,0,0]=4 483 B18R3.159486 C=Cc1cc2ccccc2c3ccccc13 Amb17621274 [0,2,0,0,0,0|2,0,0]=4 484 B18R3.159486 ClCc1cc2ccccc2c3ccccc13 Amb17610986 [0,2,0,0,0,0|2,0,0]=4 485 B18R3.159486 N#Cc1cc2ccccc2c3ccccc13 Amb8513089 [0,2,0,0,0,0|2,0,0]=4 486 B18R3.159486 N#Cc1cc2cccnc2c3ncccc13 Amb1971481 [0,2,0,0,0,0|0,0,0]=2 487 B18R3.159486 O=Cc1cc2ccccc2c3ccccc13 Amb3940285 [0,2,0,0,0,0|2,0,0]=4 488 B18R3.159486 O=Cc1cc2cccnc2c3ncccc13 Amb22002479 [0,2,0,0,0,0|0,0,0]=2 489 B18R3.159486 O=Cc1nc2ccccc2c3ncccc13 Amb1270904 [0,2,0,0,0,0|2,0,0]=4 490 B18R3.159486 OCc1cc2ccccc2c3ccccc13 Amb20411494 [0,2,0,0,0,0|2,0,0]=4 491 B18R3.422788 Brc1c(Br)c2ccccc2c3ccccc13 Amb4021416 [0,2,0,0,0,0|2,0,0]=4 492 B18R3.422788 Brc1c(Br)c2cccnc2c3ncccc13 Amb22495602 [0,2,0,0,0,0|0,0,0]=2 493 B18R3.422788 Cc1c(C)c2ccccc2c3ccccc13 Amb8480545 [0,2,0,0,0,0|2,0,0]=4 494 B18R3.422788 Nc1c(N)c2ccccc2c3ccccc13 Amb9826093 [0,2,0,0,0,0|2,0,0]=4 495 B18R3.422788 Nc1c(N)c2cccnc2c3ncccc13 Amb21962103 [0,2,0,0,0,0|0,0,0]=2 496 B18R3.422788 Nc1c(O)c2ccccc2c3ccccc13 Amb9776108 [0,2,0,0,0,0|2,0,0]=4 497 B18R3.422788 O=C1C(=O)c2ccccc2-c3ccccc31 Amb1016535 [0,2,0,0,0,0|2,0,0]=4 498 B18R3.422788 O=C1C(=O)c2cccnc2-c3ncccc31 Amb1058779 [0,2,0,0,0,0|0,0,0]=2 499 B16R3.1720 c1ccc2cc3ccccc3cc2c1 Amb17779281 [0,0,1,1,0,0|2,0,0]=4 500 B16R3.1720 c1ccc2cc3nccnc3cc2c1 Amb24325413 [0,0,1,1,0,0|2,0,0]=4 501 B16R3.1720 c1cnc2c(c1)Nc3ncccc3N2 Amb26334100 [0,0,1,1,0,0|2,0,0]=4 502 B16R3.1720 c1cnc2cc3cccnc3cc2c1 Amb27413016 [0,0,1,1,0,0|0,0,0]=2 503 B16R3.1720 c1cnc2cc3ncccc3cc2c1 Amb2385804 [0,0,1,1,0,0|2,0,0]=4 504 B16R3.1720 c1ncc2cc3ncncc3cc2n1 Amb22494578 [0,0,1,1,0,0|2,0,0]=4 505 B16R3.17428 O=C1C=Cc2cc3ccccc3cc21 Amb8388354 [0,0,1,1,0,0|2,0,0]=4 506 B16R3.4911 C1=Cc2cccc3cccc(c23)C=C1 Amb25831156 [0,0,1,1,0,0|2,0,0]=4 507 B18R4.13257 c1cnc-2c(c1)C3OC3c4cccnc42 Amb1395266 [0,0,0,1,0,1|0,0,2]=4 508 B18R4.923296 c1cc2c3c(c1)ccc4cccc(c43)C2 Amb21520336 [0,1,0,1,0,0|2,0,0]=4 509 B14R2.14 O=Cc1cccn1-c2ccccn2 Amb2234591 [0,0,1,0,1,0|2,0,0]=4 510 B14R2.14 O=Cc1ccnn1-c2ccccn2 Amb22494397 [0,0,1,0,1,0|2,0,0]=4 511 B14R2.14 O=Cc1sccc1-c2ccccn2 Amb18191064 [0,0,1,0,1,0|2,0,0]=4 512 B14R2.98 C=Cc1ccccc1-n2cccn2 Amb33271765 [0,0,1,0,1,0|2,0,0]=4 513 B14R2.98 O=Cc1cccnc1-c2ccco2 Amb18198102 [0,0,1,0,1,0|2,0,0]=4 514 B14R2.98 O=Cc1cccnc1-c2cccs2 Amb18191057 [0,0,1,0,1,0|2,0,0]=4 515 B14R2.98 O=Cc1cccnc1-c2ccsc2 Amb6384233 [0,0,1,0,1,0|2,0,0]=4 516 B14R2.98 O=Cc1cccnc1-n2cccn2 Amb27807151 [0,0,1,0,1,0|2,0,0]=4 517 B14R2.991 O=C\C=C\c1ccc2occc2c1 Amb33344015 [0,0,1,0,1,0|2,0,0]=4 518 B14R2.6 c1ccc(Cc2cccnc2)cc1 Amb5718939 [0,0,1,0,1,0|1,0,1]=4 519 B14R2.6 c1ccc(Oc2cccnc2)cc1 Amb8394912 [0,0,1,0,1,0|2,0,0]=4 520 B14R2.6 c1ccc(Sc2cccnc2)cc1 Amb10573261 [0,0,1,0,1,0|2,0,0]=4 521 B14R2.6 c1cncc(Nc2cccnc2)c1 Amb18930867 [0,0,1,0,1,0|1,0,0]=3 522 B14R2.6 c1cncc(Nc2cnccn2)c1 Amb27827867 [0,0,1,0,1,0|2,0,0]=4 523 B14R2.6 c1cncc(Nc2cncnc2)c1 Amb18267815 [0,0,1,0,1,0|2,0,0]=4 524 B14R2.6 c1cncc(Oc2cccnn2)c1 Amb27660429 [0,0,1,0,1,0|2,0,0]=4 525 B14R2.6 c1cncc(Oc2cnccn2)c1 Amb28204823 [0,0,1,0,1,0|2,0,0]=4 526 B14R2.101 C(=C\c1ccco1)/c2ccccc2 Amb26498528 [0,0,1,0,1,0|2,0,0]=4 527 B14R2.101 C(=C\c1cccs1)/c2ccccc2 Amb1060407 [0,0,1,0,1,0|2,0,0]=4 528 B14R2.101 C(=C\c1ccsc1)/c2ccccc2 Amb2642856 [0,0,1,0,1,0|2,0,0]=4 529 B14R2.101 C(=C\c1cncs1)/c2ccnnc2 Amb27591081 [0,0,1,0,1,0|2,0,0]=4 530 B14R2.101 C(=C\n1ccnc1)/c2ccccc2 Amb26390906 [0,0,1,0,1,0|2,0,0]=4 531 B14R3.2 c1ccc-2c(c1)-c3ccccc32 Amb17672015 [0,0,0,0,2,0|2,0,0]=4 532 B14R3.49 C1=CC2=NC3=CC=CC3=C2C=C1 Amb27203319 [0,0,0,0,2,0|2,0,0]=4 533 B14R3.3046 c1cc2c(ccc3ocnc32)o1 Amb28185095 [0,0,0,0,2,0|2,0,0]=4 534 B14R3.3046 c1cc2c(ccc3scnc32)o1 Amb27205727 [0,0,0,0,2,0|2,0,0]=4 535 B14R3.3046 c1cc2c(ccc3scnc32)s1 Amb24371216 [0,0,0,0,2,0|2,0,0]=4 536 B14R3.3046 c1cc2c3nocc3ccn2c1 Amb26643069 [0,0,0,0,2,0|2,0,0]=4 537 B14R3.3046 c1cc2ccc3ccnc3c2n1 Amb27400224 [0,0,0,0,2,0|0,0,0]=2 538 B14R3.3046 c1cc2ccc3ccoc3c2o1 Amb28077861 [0,0,0,0,2,0|2,0,0]=4 539 B14R3.3046 c1cc2ccc3ccsc3c2s1 Amb2642790 [0,0,0,0,2,0|2,0,0]=4 540 B14R3.3046 c1cc2ccc3ncnc3c2n1 Amb27399704 [0,0,0,0,2,0|1,0,0]=3 541 B14R3.3046 c1cc2ccc3scnc3c2o1 Amb27764798 [0,0,0,0,2,0|2,0,0]=4 542 B14R3.3046 c1cc2cncc2c3cncc13 Amb27592164 [0,0,0,0,2,0|2,0,0]=4 543 B14R3.3046 c1cc2conc2c3nocc13 Amb28421862 [0,0,0,0,2,0|2,0,0]=4 544 B14R3.3046 c1cc2n(c1)ccc3cccn32 Amb27470321 [0,0,0,0,2,0|2,0,0]=4 545 B14R3.3046 c1cn2ccc3ccoc3c2n1 Amb27587752 [0,0,0,0,2,0|2,0,0]=4 546 B14R3.3046 c1cn2ccc3occc3c2n1 Amb28289560 [0,0,0,0,2,0|2,0,0]=4 547 B14R3.3046 c1nc2c(ccc3ccoc32)o1 Amb27164118 [0,0,0,0,2,0|2,0,0]=4 548 B14R3.3046 c1nc2c(ccc3ccsc32)s1 Amb25817142 [0,0,0,0,2,0|2,0,0]=4 549 B14R3.3046 c1nc2c(ccc3cocc32)o1 Amb27755449 [0,0,0,0,2,0|2,0,0]=4 550 B14R3.3046 c1nc2ccc3cnnc3c2n1 Amb25805364 [0,0,0,0,2,0|2,0,0]=4 551 B14R3.3046 c1nc2ccc3ncnc3c2n1 Amb1090472 [0,0,0,0,2,0|2,0,0]=4 552 B16R2.172 C=Cc1ccccc1Oc2ccccc2 Amb32953549 [0,0,1,0,0,1|2,0,0]=4 553 B16R2.172 O=Cc1ccccc1Cc2ccccn2 Amb27222118 [0,0,1,0,0,1|2,0,0]=4 554 B16R2.172 O=Cc1ccccc1Oc2ccccn2 Amb2723968 [0,0,1,0,0,1|2,0,0]=4 555 B16R2.172 O=Cc1cccnc1Cc2ccccc2 Amb18812470 [0,0,1,0,0,1|2,0,0]=4 556 B16R2.172 O=Cc1cccnc1Oc2ccccc2 Amb18653007 [0,0,1,0,0,1|2,0,0]=4 557 B16R2.172 O=Cc1cccnc1Sc2ccccc2 Amb2421761 [0,0,1,0,0,1|2,0,0]=4 558 B16R2.172 O=Cc1cccnc1Sc2ccccn2 Amb27199017 [0,0,1,0,0,1|1,0,0]=3 559 B16R2.172 O=Cc1cccnc1Sc2ncccn2 Amb27601054 [0,0,1,0,0,1|2,0,0]=4 560 B16R2.4062 Cc1cccnc1Sc2ncccc2Br Amb2612049 [0,0,1,0,0,1|1,0,1]=4 561 B16R2.4062 Cc1cccnc1Sc2ncccc2Cl Amb24309120 [0,0,1,0,0,1|1,0,1]=4 562 B16R2.2256 c1cncc(CNCc2cccnc2)c1 Amb6316094 [0,0,1,0,0,1|0,0,2]=4 563 B18R3.13560 C1=Cc2ccccc2NCc3ccccc31 Amb33624995 [0,0,0,0,0,2|2,0,0]=4