0 B20R3.263426 Brc1ccc2c(c1)nc(c(c2)c3ccccc3)N Amb1994429 [0,0,0,0,0,0|3,0,0]=3 1 B20R3.263426 Cc1cc2NC(=O)C(=Nc2cc1)c3ccccc3 Amb21837656 [0,0,0,0,0,0|3,0,0]=3 2 B20R3.263426 Cc1ccc2c(c1)nc(c(c2)c3ccccc3)N Amb1994441 [0,0,0,0,0,0|3,0,0]=3 3 B20R3.263426 Clc1cc2[n]c(Cl)c([n]c2cc1)-c3ccccc3 Amb22749817 [0,0,0,0,0,0|4,0,0]=4 4 B20R3.263426 Clc1ccc2c(c1)nc(c(c2)c3ccccc3)N Amb1994434 [0,0,0,0,0,0|3,0,0]=3 5 B20R3.263426 Fc1ccc2c(c1)nc(c(c2)c3ccccc3)N Amb1994438 [0,0,0,0,0,0|3,0,0]=3 6 B20R3.263426 Nc1cc2OC(=O)C(=Cc2cc1)c3ccccc3 Amb18662992 [0,0,0,0,0,0|1,0,0]=1 7 B20R3.263426 Nc1cc2OC(=O)C(=Nc2cc1)c3ccccc3 Amb18663191 [0,0,0,0,0,0|2,0,0]=2 8 B20R3.263426 O=C1Nc2cc(Br)ccc2C=C1c3ccccc3 Amb19958867 [0,0,0,0,0,0|2,0,0]=2 9 B20R3.263426 O=C1Nc2cc(C)ccc2CC1c3ccccc3 Amb17347443 [0,0,0,0,0,0|2,0,2]=4 10 B20R3.263426 O=C1Nc2cc(N)ccc2OC1c3ccccc3 Amb17041183 [0,0,0,0,0,0|3,0,1]=4 11 B20R3.263426 O=C1Oc2cc(Br)ccc2C=C1c3ccccc3 Amb23526681 [0,0,0,0,0,0|1,0,0]=1 12 B20R3.263426 O=C1Oc2cc(F)ccc2C=C1c3ccccc3 Amb19895403 [0,0,0,0,0,0|1,0,0]=1 13 B20R3.263426 O=C1Oc2cc(F)ccc2N=C1c3ccccc3 Amb22480876 [0,0,0,0,0,0|2,0,0]=2 14 B20R3.263426 Oc1cc2OC(=O)C(=Cc2cc1)c3cccc[n]3 Amb18663373 [0,0,0,0,0,0|1,0,0]=1 15 B20R3.263426 Oc1cc2OC(=O)C(=Cc2cc1)c3ccccc3 Amb19372673 [0,0,0,0,0,0|0,0,0]=0 16 B20R3.263426 Oc1ccc2c(c1)oc(=O)c(c2)c3ccccc3 Amb1273026 [0,0,0,0,0,0|0,0,0]=0 17 B20R3.263426 Oc1ccc2c(c1)oc(=O)c(c2)c3ccccn3 Amb10789147 [0,0,0,0,0,0|1,0,0]=1 18 B20R3.263426 [NH3+]c1cc2oc(=O)c(cc2cc1)-c3ccccc3 Amb24080007 [0,0,0,0,0,0|1,0,0]=1 19 B19R3.291 Brc1cc2ccccc2[n]c1-c3ccccc3 Amb24097515 [1,0,0,0,0,0|3,0,0]=4 20 B19R3.291 CC1=C(Oc2c(O1)cccc2)c3cccc[nH+]3 Amb16202428 [1,0,0,0,0,0|3,0,0]=4 21 B19R3.291 CC1=C(Oc2c(O1)cccc2)c3ccccn3 Amb1145399 [1,0,0,0,0,0|3,0,0]=4 22 B19R3.291 Cc1[n]c2ccccc2[n]c1-c3ccccc3 Amb22044209 [1,0,0,0,0,0|3,0,0]=4 23 B19R3.291 Cc1[n]c2ccccc2cc1-c3ccccc3 Amb24097097 [1,0,0,0,0,0|2,0,0]=3 24 B19R3.291 Cc1cc2ccccc2nc1c3ccccc3 Amb2411392 [1,0,0,0,0,0|3,0,0]=4 25 B19R3.291 Clc1cc2ccccc2cc1-c3cccc[n]3 Amb19889583 [1,0,0,0,0,0|3,0,0]=4 26 B19R3.291 Clc1nc2ccccc2cc1c3ccccc3 Amb1994233 [1,0,0,0,0,0|2,0,0]=3 27 B19R3.291 Clc1nc2ncccc2cc1c3ccccc3 Amb17090737 [1,0,0,0,0,0|3,0,0]=4 28 B19R3.291 N=C1Oc2ccccc2C=C1c3ccccc3 Amb22360366 [1,0,0,0,0,0|1,0,0]=2 29 B19R3.291 N=C1Oc2ccccc2C=C1c3ccccc3 Amb22360378 [1,0,0,0,0,0|1,0,0]=2 30 B19R3.291 N=C1Oc2ccccc2C=C1c3ccccc3 Amb22360380 [1,0,0,0,0,0|1,0,0]=2 31 B19R3.291 N=C1Oc2ccccc2C=C1c3ccccc3 Amb22360381 [1,0,0,0,0,0|1,0,0]=2 32 B19R3.291 Nc1nc2ccccc2cc1c3ccccc3 Amb1994302 [1,0,0,0,0,0|2,0,0]=3 33 B19R3.291 Nc1nc2ccccc2nc1c3ccccc3 Amb17596030 [1,0,0,0,0,0|3,0,0]=4 34 B19R3.291 Nc1nc2ncccc2cc1c3ccccc3 Amb17085233 [1,0,0,0,0,0|3,0,0]=4 35 B19R3.291 O=C1Nc2[n]cccc2C=C1c3ccccc3 Amb18532588 [1,0,0,0,0,0|2,0,0]=3 36 B19R3.291 O=C1Nc2[n]cccc2N=C1c3ccccc3 Amb20268569 [1,0,0,0,0,0|3,0,0]=4 37 B19R3.291 O=C1Nc2ccc[n]c2N=C1c3ccccc3 Amb20461576 [1,0,0,0,0,0|3,0,0]=4 38 B19R3.291 O=C1Nc2ccccc2C=C1c3ccccc3 Amb22036566 [1,0,0,0,0,0|1,0,0]=2 39 B19R3.291 O=C1Nc2ccccc2CC1c3ccccc3 Amb223272 [1,0,0,0,0,0|1,0,2]=4 40 B19R3.291 O=C1Nc2ccccc2N=C1c3cccc[n]3 Amb24182154 [1,0,0,0,0,0|3,0,0]=4 41 B19R3.291 O=C1Nc2ccccc2N=C1c3ccccc3 Amb19654093 [1,0,0,0,0,0|2,0,0]=3 42 B19R3.291 O=C1Nc2ccccc2NC1c3ccccc3 Amb10604465 [1,0,0,0,0,0|2,0,1]=4 43 B19R3.291 O=C1Nc2ccccc2OC1c3ccccc3 Amb10604471 [1,0,0,0,0,0|2,0,1]=4 44 B19R3.291 O=C1Oc2ccc[nH+]c2SC1c3ccccc3 Amb10554382 [1,0,0,0,0,0|2,0,1]=4 45 B19R3.291 O=C1Oc2ccccc2C=C1c3c[n]ccc3 Amb22446299 [1,0,0,0,0,0|1,0,0]=2 46 B19R3.291 O=C1Oc2ccccc2C=C1c3cccc[n]3 Amb22495776 [1,0,0,0,0,0|1,0,0]=2 47 B19R3.291 O=C1Oc2ccccc2C=C1c3ccccc3 Amb19544117 [1,0,0,0,0,0|0,0,0]=1 48 B19R3.291 O=C1Oc2ccccc2CN1c3ccccc3 Amb17844345 [1,0,0,0,0,0|1,0,1]=3 49 B19R3.291 O=C1Oc2ccccc2N=C1c3ccccc3 Amb22480865 [1,0,0,0,0,0|1,0,0]=2 50 B19R3.291 O=C1Oc2ccccc2NC1c3ccccc3 Amb17217248 [1,0,0,0,0,0|1,0,1]=3 51 B19R3.291 O=C1Oc2cccnc2SC1c3ccccc3 Amb10554370 [1,0,0,0,0,0|2,0,1]=4 52 B19R3.291 O=S1Oc2ccccc2CN1c3ccccc3 Amb22462686 [1,0,0,0,0,0|2,0,1]=4 53 B19R3.291 O=c1oc2ccccc2cc1c3ccccc3 Amb2222038 [1,0,0,0,0,0|0,0,0]=1 54 B19R3.55010 Brc1cc2[n][n]c(cc2cc1)-c3ccccc3 Amb22752664 [1,0,0,0,0,0|3,0,0]=4 55 B19R3.55010 Brc1cc2ccc([n]c2cc1)-c3ccccc3 Amb21864972 [1,0,0,0,0,0|3,0,0]=4 56 B19R3.55010 Cc1cc2[n]cc([n]c2cc1)-c3ccccc3 Amb24091830 [1,0,0,0,0,0|3,0,0]=4 57 B19R3.55010 Cc1ccc2c(c1)SC=C(O2)c3ccccc3 Amb10572313 [1,0,0,0,0,0|2,1,0]=4 58 B19R3.55010 Clc1cc2ccc([n]c2cc1)-c3ccccc3 Amb22491390 [1,0,0,0,0,0|3,0,0]=4 59 B19R3.55010 Nc1ccc2c(c1)ccc(n2)c3ccccc3 Amb2110640 [1,0,0,0,0,0|3,0,0]=4 60 B19R3.55010 Oc1cc2ccc([n]c2cc1)-c3ccccc3 Amb21858745 [1,0,0,0,0,0|2,0,0]=3 61 B21R3.19797 Cc1cc2c(cc1)N=C(C(=O)N2C)c3ccccc3 Amb19330499 [0,1,0,0,0,0|3,0,0]=4 62 B21R3.19797 Oc1cc2C(=O)C(O)=C(Oc2cc1)c3ccccc3 Amb18511705 [0,1,0,0,0,0|2,0,1]=4 63 B21R3.144628 Oc1cc2OC(=O)C(=Cc2cc1)c3ccc(Br)cc3 Amb20665347 [0,1,0,0,0,0|0,0,0]=1 64 B21R3.144628 Oc1cc2OC(=O)C(=Cc2cc1)c3ccc(Cl)cc3 Amb19372679 [0,1,0,0,0,0|0,0,0]=1 65 B21R3.144628 Oc1cc2OC(=O)C(=Cc2cc1)c3ccc(F)cc3 Amb19540641 [0,1,0,0,0,0|0,0,0]=1 66 B21R3.144628 Oc1ccc(cc1)C2=Cc3ccc(O)cc3OC2=O Amb22552305 [0,1,0,0,0,0|0,0,0]=1 67 B21R3.150833 Oc1cc2OC(=O)C(=Cc2cc1)c3cc(Br)ccc3 Amb20665348 [0,1,0,0,0,0|0,0,0]=1 68 B21R3.150833 Oc1cc2OC(=O)C(=Cc2cc1)c3cc(Cl)ccc3 Amb20665320 [0,1,0,0,0,0|0,0,0]=1 69 B21R3.417254 Nc1nc2c(cc1c3ccccc3)ccc(c2C)Cl Amb1994436 [0,1,0,0,0,0|3,0,0]=4 70 B21R3.756581 COc1cc2NC(=O)C(=Cc2cc1)c3ccccc3 Amb21927280 [0,1,0,0,0,0|1,0,0]=2 71 B21R3.756581 COc1ccc2C=C(C(=O)Oc2c1)c3ccccc3 Amb19951797 [0,1,0,0,0,0|0,0,0]=1 72 B21R3.756581 COc1ccc2[n]c(c(=O)oc2c1)-c3ccccc3 Amb24092116 [0,1,0,0,0,0|1,0,0]=2 73 B21R3.756581 COc1ccc2c(c1)nc(c(c2)c3ccccc3)N Amb1994300 [0,1,0,0,0,0|2,0,0]=3 74 B21R3.756581 O=C1Nc2cc(CCl)ccc2C=C1c3ccccc3 Amb18529722 [0,1,0,0,0,0|2,0,0]=3 75 B21R3.756581 OCc1cc2NC(=O)C(Oc2cc1)c3ccccc3 Amb18617009 [0,1,0,0,0,0|2,0,1]=4 76 B21R3.6562583 Oc1cc2oc(=O)c(cc2c(O)c1)-c3ccccc3 Amb24093780 [0,1,0,0,0,0|0,0,0]=1 77 B21R3.6889911 Cc1cc2NC(=O)C(=Nc2cc1)c3ccccc3N Amb19496812 [0,1,0,0,0,0|3,0,0]=4 78 B21R3.6889911 Oc1cc2OC(=O)C(=Cc2cc1)c3ccccc3Cl Amb20665316 [0,1,0,0,0,0|0,0,0]=1 79 B21R3.7155661 CC1=C(C(=O)Oc2cc(O)ccc21)c3ccccc3 Amb19372674 [0,1,0,0,0,0|0,0,0]=1 80 B21R3.7155661 CC1=CC2=NC(=O)C(=C(O)N2C=C1)c3ccccc3 Amb19946269 [0,1,0,0,0,0|3,0,0]=4 81 B21R3.7155661 CC=1Oc2cc(O)ccc2C(=O)C1c3ccccc3 Amb19204615 [0,1,0,0,0,0|1,0,0]=2 82 B21R3.7155661 Cc1c(c(=O)oc2cc(O)ccc21)-c3c[n]ccc3 Amb24066316 [0,1,0,0,0,0|1,0,0]=2 83 B21R3.7155661 Cc1cc2NC(=O)C(=C(N)c2cc1)c3ccccc3 Amb22434377 [0,1,0,0,0,0|2,0,0]=3 84 B21R3.7155661 Cc1cc2NC(=O)C(=C(O)c2cc1)c3ccccc3 Amb19664792 [0,1,0,0,0,0|2,0,0]=3 85 B21R3.7155661 Cc1cc2OC(=O)C(c3ccccc3)=C(C)c2cc1 Amb20665363 [0,1,0,0,0,0|1,0,0]=2 86 B21R3.7155661 Cc1ccc2C(=C)N(C(=O)Nc2c1)c3ccccc3 Amb17755634 [0,1,0,0,0,0|3,0,0]=4 87 B21R3.7155661 OC1=C(C(=O)Nc2cc(F)ccc21)c3ccccc3 Amb19665353 [0,1,0,0,0,0|2,0,0]=3 88 B21R3.7155661 Oc1c(c(=O)[nH]c2cc(Cl)ccc21)-c3ccccc3 Amb24099941 [0,1,0,0,0,0|2,0,0]=3 89 B21R3.7155661 Oc1cc2OC(=O)C(c3ccccc3)=C(O)c2cc1 Amb19514376 [0,1,0,0,0,0|0,0,0]=1 90 B21R3.7155661 Oc1ccc2c(c1)oc(=O)c(c2C)c3ccccc3 Amb1273027 [0,1,0,0,0,0|0,0,0]=1 91 B21R3.7155661 Oc1ccc2c(c1)oc(c(c2=O)c3ccccc3)C Amb1107050 [0,1,0,0,0,0|1,0,0]=2 92 B19R2.4366 C=C(C(=O)Nc1cc(Cl)ccc1)c2ccccc2 Amb22469714 [0,0,1,0,0,0|2,0,0]=3 93 B19R2.4366 CC(C(=O)Nc1cc(O)ccc1)c2ccccc2 Amb21990011 [0,0,1,0,0,0|1,0,2]=4 94 B19R2.4366 CN(C(=O)Oc1cc([*])ccc1)c2ccccc2 Amb24107859 [0,0,1,0,0,0|2,0,1]=4 95 B19R2.4366 Cc1cccc(c1)NC(=O)C(=O)c2ccccc2 Amb17348043 [0,0,1,0,0,0|3,0,0]=4 96 B19R2.4366 Cc1cccc(c1)OC(=O)N(c2ccccc2)C Amb2572679 [0,0,1,0,0,0|2,0,1]=4 97 B19R2.4366 Clc1cccc(c1)NC(=O)C(=O)c2ccccc2 Amb17357330 [0,0,1,0,0,0|3,0,0]=4 98 B19R2.4366 Fc1cccc(c1)NC(=O)C(=O)c2ccccc2 Amb17349333 [0,0,1,0,0,0|3,0,0]=4 99 B19R2.4366 Oc1cccc(c1)NC(=O)C(c2ccccc2)Cl Amb17324292 [0,0,1,0,0,0|2,0,1]=4 100 B19R2.4551 Cc1cc(OC(=O)Nc2ccccc2)c(C)cc1 Amb24101781 [0,0,1,0,0,0|2,0,1]=4 101 B19R2.4551 O=C(Oc1cc(C)ccc1Cl)Nc2ccccc2 Amb10575665 [0,0,1,0,0,0|3,0,0]=4 102 B19R2.4551 O=C(Oc1cc(Cl)ccc1Cl)Nc2ccccc2 Amb10575667 [0,0,1,0,0,0|3,0,0]=4 103 B19R2.151568 Cc1ccc(cc1)\C=C(/c2ccccn2)\C(=O)O Amb17254678 [0,0,1,0,0,0|2,0,0]=3 104 B19R2.151568 Clc1ccc(cc1)\C=C(/c2ccccn2)\C(=O)O Amb17267366 [0,0,1,0,0,0|2,0,0]=3 105 B19R2.151568 Fc1ccc(cc1)\C=C(/c2ccccn2)\C(=O)O Amb17256483 [0,0,1,0,0,0|2,0,0]=3 106 B19R2.151568 Nc1ccc(cc1)\C=C(\c2ccccc2)/C(=O)O Amb1102014 [0,0,1,0,0,0|1,0,0]=2 107 B19R2.151568 Oc1ccc(cc1)C=C(c2ccccc2)C(=O)O Amb16236186 [0,0,1,0,0,0|0,0,0]=1 108 B19R3.100 Cc1cc2oc(=O)[n](c2cc1)-c3ccccc3 Amb24091827 [0,0,0,0,1,0|2,0,0]=3 109 B19R3.100 O=C1Nc2cc(Cl)ccc2N1c3ccccc3 Amb21862694 [0,0,0,0,1,0|3,0,0]=4 110 B19R3.100 O=C1Oc2cc(Cl)ccc2C1c3ccccc3 Amb22478953 [0,0,0,0,1,0|1,0,1]=3 111 B19R3.55147 Cc1c([nH]c2ccc(Br)cc21)-c3ccccc3 Amb22753759 [0,0,0,0,1,0|3,0,0]=4 112 B19R3.55147 Cc1ccc2c(c1)c(C)c([nH]2)c3ccccc3 Amb1788173 [0,0,0,0,1,0|3,0,0]=4 113 B19R3.55147 Clc1ccc2c(c1)c(C)c([nH]2)c3ccccc3 Amb1971699 [0,0,0,0,1,0|3,0,0]=4 114 B19R3.55147 Nc1ccc2c(c1)C(=O)N(C2)c3ccccc3 Amb17483310 [0,0,0,0,1,0|2,0,1]=4 115 B19R3.55147 O=C1c2cc(Cl)ccc2NN1c3ccccc3 Amb22489311 [0,0,0,0,1,0|3,0,0]=4 116 B19R3.159787 Oc1cc2OC(=O)C(=Cc2cc1)c3ccc[s]3 Amb20613076 [0,0,0,0,1,0|1,0,0]=2 117 B21R3.417256 O=C/1Nc2cc(Cl)ccc2S\C1=C/c3ccccc3 Amb20412995 [0,0,0,0,0,1|3,0,0]=4 118 B21R3.417256 O=C1Nc2cc(O)ccc2OC1Cc3ccccc3 Amb17568454 [0,0,0,0,0,1|2,0,1]=4 119 B18R2.4114 OC(=O)\C=C\c1cccc(c1)c2ccccc2 Amb1109524 [1,0,1,0,0,0|2,0,0]=4 120 B18R2.6478 Cc1cc(ccc1)OC(=O)Cc2ccccc2 Amb22729560 [1,0,1,0,0,0|1,0,1]=4 121 B18R2.6478 O=C(Oc1cccc(c1)Br)Nc2ccccc2 Amb1196059 [1,0,1,0,0,0|2,0,0]=4 122 B18R2.6478 O=C(Oc1cccc(c1)Cl)Nc2ccccc2 Amb1538864 [1,0,1,0,0,0|2,0,0]=4 123 B18R2.7204 CN(C(=O)Oc1ccccc1)c2ccccc2 Amb22265767 [1,0,1,0,0,0|1,0,1]=4 124 B18R2.7204 O=C(c1ccccc1)C(=C)Oc2ccccc2 Amb17596145 [1,0,1,0,0,0|2,0,0]=4 125 B18R2.7204 O=C(c1ccccc1)C(=O)Nc2ccccc2 Amb17343265 [1,0,1,0,0,0|2,0,0]=4 126 B18R2.3983 Cc1ccccc1OC(=O)Cc2ccccc2 Amb24092720 [1,0,1,0,0,0|0,0,2]=4 127 B18R2.3983 O=C(Oc1ccccc1C)Nc2ccccc2 Amb10576082 [1,0,1,0,0,0|1,0,1]=4 128 B18R2.1046 Oc1ccc(OCc2ccccc2)c(C=O)c1 Amb22496708 [1,0,1,0,0,0|1,0,1]=4 129 B18R2.6540 Cc1ccc(c(c1)O)NC(=O)c2ccccc2 Amb230742 [1,0,1,0,0,0|2,0,0]=4 130 B18R2.6540 Nc1ccc(c(c1)O)NC(=O)c2ccccc2 Amb10243207 [1,0,1,0,0,0|2,0,0]=4 131 B18R2.7801 N#C\C(=C\c1ccc(cc1)O)\c2ccccc2 Amb17117053 [1,0,1,0,0,0|1,0,1]=4 132 B18R2.7801 O=C\C(=C\c1ccc(cc1)C)\c2ccccc2 Amb17342416 [1,0,1,0,0,0|1,0,0]=3 133 B18R2.7801 O=C\C(=C\c1ccc(cc1)Cl)\c2ccccc2 Amb17349262 [1,0,1,0,0,0|1,0,0]=3 134 B18R2.7801 O=C\C(=C\c1ccc(cc1)F)\c2ccccc2 Amb17343561 [1,0,1,0,0,0|1,0,0]=3 135 B18R2.7801 O=C\C(=C\c1ccc(cc1)O)\c2ccccc2 Amb17343017 [1,0,1,0,0,0|0,0,0]=2 136 B18R2.7830 O=C\C(=C\c1ccccc1C)\c2ccccc2 Amb17342414 [1,0,1,0,0,0|1,0,0]=3 137 B18R2.7830 O=C\C(=C\c1ccccc1Cl)\c2ccccc2 Amb17349260 [1,0,1,0,0,0|1,0,0]=3 138 B18R2.7830 O=C\C(=C\c1ccccc1F)\c2ccccc2 Amb17343560 [1,0,1,0,0,0|1,0,0]=3 139 B18R2.4111 OC(=O)\C(=C/c1ccccc1)\c2ccccc2 Amb1208859 [1,0,1,0,0,0|0,0,0]=2 140 B18R2.4111 OC(=O)\C(=C\c1ccccc1)\c2ccccc2 Amb1933695 [1,0,1,0,0,0|0,0,0]=2 141 B18R2.4111 OC(=O)\C(=C\c1ccccc1)\c2ccccn2 Amb17246901 [1,0,1,0,0,0|1,0,0]=3 142 B18R2.4111 OC(=O)\C(=C\c1cccnc1)\c2ccccn2 Amb17247280 [1,0,1,0,0,0|2,0,0]=4 143 B18R3.2123 C=1Sc2ccccc2NC1c3ccccc3 Amb22453690 [2,0,0,0,0,0|1,1,0]=4 144 B18R3.2123 c1[n]cccc1-c2c[n]c3ccccc3c2 Amb24097402 [2,0,0,0,0,0|2,0,0]=4 145 B18R3.2123 c1c(ccc2[n]cccc21)-c3ccccc3 Amb19958711 [2,0,0,0,0,0|2,0,0]=4 146 B18R3.2123 c1c(ccc2cc[n]cc21)-c3ccccc3 Amb17971155 [2,0,0,0,0,0|2,0,0]=4 147 B18R3.2123 c1c(ccc2ccccc21)-c3ccccc3 Amb20671365 [2,0,0,0,0,0|1,0,0]=3 148 B18R3.2123 c1cc([o+]c2ccccc21)-c3ccccc3 Amb24081225 [2,0,0,0,0,0|2,0,0]=4 149 B18R3.2123 c1ccc(cc1)C2=COc3c(O2)cccc3 Amb10554692 [2,0,0,0,0,0|1,0,0]=3 150 B18R3.2123 c1ccc(cc1)C2=Nc3c(OC2)cccc3 Amb2432890 [2,0,0,0,0,0|1,0,1]=4 151 B18R3.2123 c1ccc(cc1)c2ccc3c(n2)cccc3 Amb2411351 [2,0,0,0,0,0|2,0,0]=4 152 B18R3.2123 c1ccc(nc1)c2cnc3c(c2)cccc3 Amb13890811 [2,0,0,0,0,0|2,0,0]=4 153 B20R2.3436 COc1cccc(c1)NC(=O)C(=O)c2ccccc2 Amb17355097 [0,1,1,0,0,0|2,0,0]=4 154 B20R2.6237 CCc1ccc(cc1)\C=C(/c2ccccn2)\C(=O)O Amb17263323 [0,1,1,0,0,0|2,0,0]=4 155 B20R2.6237 COc1ccc(cc1)\C=C(/c2ccccc2)\C(=O)O Amb1345177 [0,1,1,0,0,0|0,0,0]=2 156 B20R2.6237 COc1ccc(cc1)\C=C(/c2ccccn2)\C(=O)O Amb17264353 [0,1,1,0,0,0|1,0,0]=3 157 B20R2.6237 COc1ccc(cc1)\C=C(\c2ccccc2)/C(=O)O Amb1202394 [0,1,1,0,0,0|0,0,0]=2 158 B20R2.46867 COC(=O)C(c1ccccc1)Cc2ccc(cc2)O Amb1092664 [0,1,1,0,0,0|0,0,2]=4 159 B20R2.46867 COC(=O)\C(=C\c1ccc(cc1)N)\c2ccccc2 Amb1059031 [0,1,1,0,0,0|1,0,0]=3 160 B20R2.68271 Fc1ccc(cc1)\C(=C\c2ccc(cc2)Cl)\C(=O)O Amb11224 [0,1,1,0,0,0|1,0,0]=3 161 B20R2.68271 OC(=O)\C(=C\c1ccc(Cl)cc1)\c2ccc(F)cc2 Amb18528436 [0,1,1,0,0,0|1,0,0]=3 162 B20R2.237099 Cc1cc(C=C(C(O)=O)c2ccccc2)ccc1F Amb23945078 [0,1,1,0,0,0|1,0,0]=3 163 B20R2.237099 OC(=O)C(c1ccccc1)Cc2ccc(c(c2)N)O Amb17476601 [0,1,1,0,0,0|0,0,2]=4 164 B20R2.239519 Cc1ccc(\C=C(/c2ccccc2)\S(O)(=O)=O)cc1 Amb22364607 [0,1,1,0,0,0|2,0,0]=4 165 B20R2.239520 Clc1ccc(cc1)\C=C(/c2ccccc2N)\C(=O)O Amb17597423 [0,1,1,0,0,0|1,0,0]=3 166 B20R3.750 CCc1[n]c2ccccc2cc1-c3ccccc3 Amb24097094 [1,1,0,0,0,0|2,0,0]=4 167 B20R3.750 O=CC1=C(Oc2c(O1)cccc2)c3ccccc3 Amb1199356 [1,1,0,0,0,0|1,0,0]=3 168 B20R3.5464 Cc1cc(ccc1)C2=Cc3ccc[n]c3NC2=O Amb18532590 [1,1,0,0,0,0|2,0,0]=4 169 B20R3.5464 Nc1cc(ccc1)C2=Cc3ccccc3OC2=O Amb19526141 [1,1,0,0,0,0|0,0,0]=2 170 B20R3.5464 O=C1Nc2[n]cccc2C=C1c3cc(Cl)ccc3 Amb18532596 [1,1,0,0,0,0|2,0,0]=4 171 B20R3.5464 O=C1Nc2[n]cccc2C=C1c3cc(F)ccc3 Amb18532594 [1,1,0,0,0,0|2,0,0]=4 172 B20R3.5464 O=C1Oc2ccccc2C=C1c3cc(Br)ccc3 Amb21928289 [1,1,0,0,0,0|0,0,0]=2 173 B20R3.5464 O=C1Oc2ccccc2C=C1c3cc(Cl)ccc3 Amb20665319 [1,1,0,0,0,0|0,0,0]=2 174 B20R3.5778 Cc1ccccc1C2=Cc3ccc[n]c3NC2=O Amb18532589 [1,1,0,0,0,0|2,0,0]=4 175 B20R3.5778 Nc1ccccc1C2=Cc3ccccc3OC2=O Amb20223964 [1,1,0,0,0,0|0,0,0]=2 176 B20R3.5778 Nc1ccccc1C2=Nc3ccccc3NC2=O Amb19388360 [1,1,0,0,0,0|2,0,0]=4 177 B20R3.5778 O=C1Nc2[n]cccc2C=C1c3ccccc3Cl Amb18532595 [1,1,0,0,0,0|2,0,0]=4 178 B20R3.5778 O=C1Nc2[n]cccc2C=C1c3ccccc3F Amb18532593 [1,1,0,0,0,0|2,0,0]=4 179 B20R3.5778 O=C1Oc2ccccc2C=C1c3ccccc3Br Amb23583217 [1,1,0,0,0,0|0,0,0]=2 180 B20R3.5778 O=C1Oc2ccccc2C=C1c3ccccc3Cl Amb20665315 [1,1,0,0,0,0|0,0,0]=2 181 B20R3.5778 Oc1ccccc1C2=Cc3ccccc3OC2=O Amb18663173 [1,1,0,0,0,0|0,0,0]=2 182 B20R3.13141 C=C1N(C(=O)Nc2ccccc12)c3ccccc3 Amb17774469 [1,1,0,0,0,0|2,0,0]=4 183 B20R3.13141 CC1=C(C(=O)Oc2ccccc21)c3ccccc3 Amb20659787 [1,1,0,0,0,0|0,0,0]=2 184 B20R3.13141 Cc1[nH]c2ccccc2c(=O)c1-c3ccccc3 Amb24065755 [1,1,0,0,0,0|2,0,0]=4 185 B20R3.13141 Cc1[n]c2ccccc2c(Cl)c1-c3ccccc3 Amb22450443 [1,1,0,0,0,0|2,0,0]=4 186 B20R3.13141 N=C1c2ccccc2NC(=O)N1c3ccccc3 Amb21927064 [1,1,0,0,0,0|2,0,0]=4 187 B20R3.13141 NC1=C(C(=O)Nc2ccccc21)c3ccccc3 Amb18662827 [1,1,0,0,0,0|1,0,0]=3 188 B20R3.13141 NC=1Oc2ccccc2C(=O)C1c3ccccc3 Amb17974556 [1,1,0,0,0,0|1,0,0]=3 189 B20R3.13141 NC=1Sc2ccccc2C(=O)C1c3ccccc3 Amb18526105 [1,1,0,0,0,0|1,1,0]=4 190 B20R3.13141 O=C1Cc2ccccc2C(=O)N1c3ccccc3 Amb1543026 [1,1,0,0,0,0|2,0,0]=4 191 B20R3.13141 O=C1Nc2ccccc2C(=O)N1c3ccccc3 Amb19387956 [1,1,0,0,0,0|2,0,0]=4 192 B20R3.13141 O=C1Oc2ccccc2C(=O)N1c3ccccc3 Amb22171599 [1,1,0,0,0,0|1,0,0]=3 193 B20R3.13141 O=c1[nH]c2ccccc2c(c1[n+]3ccccc3)[O-] Amb2404902 [1,1,0,0,0,0|2,0,0]=4 194 B20R3.13141 OC1=C(C(=O)Nc2ccccc21)[n+]3ccccc3 Amb21922118 [1,1,0,0,0,0|2,0,0]=4 195 B20R3.13141 OC1=C(C(=O)Nc2ccccc21)[n+]3ccccc3 Amb22333850 [1,1,0,0,0,0|2,0,0]=4 196 B20R3.13141 OC1=C(C(=O)Nc2ccccc21)c3ccccc3 Amb19667371 [1,1,0,0,0,0|1,0,0]=3 197 B20R3.13141 OC1=C(C(=O)Oc2ccccc21)c3ccccc3 Amb19667483 [1,1,0,0,0,0|0,0,0]=2 198 B20R3.13141 Oc1cc2ccccc2c(O)c1-c3ccccc3 Amb22487516 [1,1,0,0,0,0|1,0,1]=4 199 B20R3.13141 [O-]C1=C(C(=O)Nc2ccccc21)[n+]3ccccc3 Amb19894820 [1,1,0,0,0,0|2,0,0]=4 200 B20R3.13141 [O-][N+]1=C(C(=O)Nc2ccccc12)c3ccccc3 Amb19204018 [1,1,0,0,0,0|2,0,0]=4 201 B20R3.19290 Brc1ccc(cc1)c2cc3ccccc3oc2=O Amb2584816 [1,1,0,0,0,0|0,0,0]=2 202 B20R3.19290 Cc1ccc(cc1)C2=Cc3ccc[n]c3NC2=O Amb18532592 [1,1,0,0,0,0|2,0,0]=4 203 B20R3.19290 Cc1ccc(cc1)C2=Cc3ccccc3SC2=O Amb22471745 [1,1,0,0,0,0|0,1,0]=3 204 B20R3.19290 Cc1ccc(cc1)C2=Nc3ccccc3NC2=O Amb22080289 [1,1,0,0,0,0|2,0,0]=4 205 B20R3.19290 Cc1ccc(cc1)c2cc3ccccc3[nH+]c2Cl Amb2434471 [1,1,0,0,0,0|2,0,0]=4 206 B20R3.19290 Cc1ccc(cc1)c2cc3ccccc3nc2N Amb2430071 [1,1,0,0,0,0|2,0,0]=4 207 B20R3.19290 Clc1[n]c2ccccc2cc1-c3ccc(Br)cc3 Amb22002024 [1,1,0,0,0,0|2,0,0]=4 208 B20R3.19290 Clc1ccc(cc1)c2cc3ccccc3nc2Cl Amb2434447 [1,1,0,0,0,0|2,0,0]=4 209 B20R3.19290 Nc1ccc(cc1)C2=Cc3ccccc3OC2=O Amb18010276 [1,1,0,0,0,0|0,0,0]=2 210 B20R3.19290 O=C1Nc2[n]cccc2C=C1c3ccc(Cl)cc3 Amb18024309 [1,1,0,0,0,0|2,0,0]=4 211 B20R3.19290 O=C1Nc2[n]cccc2C=C1c3ccc(F)cc3 Amb18024307 [1,1,0,0,0,0|2,0,0]=4 212 B20R3.19290 O=C1Nc2ccccc2N=C1c3ccc(Cl)cc3 Amb19666258 [1,1,0,0,0,0|2,0,0]=4 213 B20R3.19290 O=C1Oc2ccccc2C=C1c3ccc(Br)cc3 Amb20223892 [1,1,0,0,0,0|0,0,0]=2 214 B20R3.19290 O=C1Oc2ccccc2C=C1c3ccc(Cl)cc3 Amb20223891 [1,1,0,0,0,0|0,0,0]=2 215 B20R3.19290 O=C1Oc2ccccc2C=C1c3ccc(F)cc3 Amb19541599 [1,1,0,0,0,0|0,0,0]=2 216 B20R3.19290 O=C1Oc2ccccc2C=C1c3ccc(I)cc3 Amb19517127 [1,1,0,0,0,0|0,0,0]=2 217 B20R3.19290 O=C1Sc2ccccc2C=C1c3ccc(Cl)cc3 Amb22471746 [1,1,0,0,0,0|0,1,0]=3 218 B20R3.19290 Oc1ccc(cc1)C2=Cc3ccccc3OC2=O Amb19551356 [1,1,0,0,0,0|0,0,0]=2 219 B20R3.96524 CN1C(=O)C(=Cc2ccccc12)c3ccccc3 Amb22465956 [1,1,0,0,0,0|1,0,0]=3 220 B20R3.96524 CN1C(=O)C(=Nc2ccccc12)c3ccccc3 Amb21837655 [1,1,0,0,0,0|2,0,0]=4 221 B20R3.251408 Nc1nc2c(cc1c3ccccc3)cccc2C Amb1994446 [1,1,0,0,0,0|2,0,0]=4 222 B20R3.263381 Brc1ccc2c(c1)cc(c(n2)N)c3ccccc3 Amb1994404 [1,1,0,0,0,0|2,0,0]=4 223 B20R3.263381 Cc1cc2C=C(C(=O)Nc2cc1)c3ccccc3 Amb21855839 [1,1,0,0,0,0|1,0,0]=3 224 B20R3.263381 Cc1ccc2c(c1)cc(c(n2)N)c3ccccc3 Amb1994423 [1,1,0,0,0,0|2,0,0]=4 225 B20R3.263381 Clc1ccc2c(c1)cc(c(n2)N)c3ccccc3 Amb1994409 [1,1,0,0,0,0|2,0,0]=4 226 B20R3.263381 Fc1ccc2c(c1)cc(c(n2)N)c3ccccc3 Amb1994419 [1,1,0,0,0,0|2,0,0]=4 227 B20R3.263381 N=C1Oc2ccc(Br)cc2C=C1c3cccc[n]3 Amb19388848 [1,1,0,0,0,0|2,0,0]=4 228 B20R3.263381 Nc1cc2C=C(C(=O)Oc2cc1)c3ccccc3 Amb18662991 [1,1,0,0,0,0|0,0,0]=2 229 B20R3.263381 Nc1cc2cc(c(=O)oc2cc1)-c3cc[n]cc3 Amb24081543 [1,1,0,0,0,0|1,0,0]=3 230 B20R3.263381 O=C1Nc2ccc(Cl)[n]c2C=C1c3ccccc3 Amb21961297 [1,1,0,0,0,0|2,0,0]=4 231 B20R3.263381 O=C1Oc2ccc(Br)cc2C=C1c3ccccc3 Amb19203370 [1,1,0,0,0,0|0,0,0]=2 232 B20R3.263381 O=C1Oc2ccc(Cl)cc2C=C1c3ccccc3 Amb21995050 [1,1,0,0,0,0|0,0,0]=2 233 B20R3.263381 O=C1Oc2ccc(cc2NC1c3ccccc3)C Amb17217252 [1,1,0,0,0,0|1,0,1]=4 234 B20R3.263381 O=C1Oc2ccc(cc2NC1c3ccccc3)Cl Amb17217249 [1,1,0,0,0,0|1,0,1]=4 235 B20R3.263381 O=c1oc2ccc(Br)cc2cc1-c3cc[n]cc3 Amb24081581 [1,1,0,0,0,0|1,0,0]=3 236 B20R3.263381 O=c1oc2ccc(Br)cc2cc1-c3cccc[n]3 Amb24081585 [1,1,0,0,0,0|1,0,0]=3 237 B20R3.263381 O=c1oc2ccc(Cl)cc2cc1-c3cc[n]cc3 Amb24081628 [1,1,0,0,0,0|1,0,0]=3 238 B20R3.263381 Oc1cc2C=C(C(=O)Oc2cc1)c3ccccc3 Amb24105115 [1,1,0,0,0,0|0,0,0]=2 239 B20R3.4429674 Oc1cccc2OC(=O)C(=Nc21)c3ccccc3 Amb24097243 [1,1,0,0,0,0|1,0,0]=3 240 B20R3.42232 COc1cc2OCC(=Cc2cc1)c3ccccc3 Amb24097297 [1,1,0,0,0,0|0,0,1]=3 241 B20R3.42232 COc1cc2ccc([n]c2cc1)-c3ccccc3 Amb21858722 [1,1,0,0,0,0|2,0,0]=4 242 B20R3.88367 Oc1ccc(cc1)C=2Cc3ccc(O)cc3OC2 Amb24070339 [1,1,0,0,0,0|0,0,1]=3 243 B20R3.263189 Oc1cc2C(=O)C=C(Oc2cc1)c3ccccc3 Amb18012850 [1,1,0,0,0,0|2,0,0]=4 244 B20R3.277675 Cc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb21815674 [1,1,0,0,0,0|1,0,0]=3 245 B20R3.277675 Nc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb18662994 [1,1,0,0,0,0|1,0,0]=3 246 B20R3.277675 O=C1c2ccc(Cl)cc2OC=C1c3ccccc3 Amb21815691 [1,1,0,0,0,0|1,0,0]=3 247 B20R3.277675 Oc1cc2OC=C(C(=O)c2cc1)c3cccc[n]3 Amb17989016 [1,1,0,0,0,0|1,0,0]=3 248 B20R3.277675 Oc1cc2OC=C(C(=O)c2cc1)c3ccccc3 Amb18524268 [1,1,0,0,0,0|0,0,0]=2 249 B20R3.277675 Oc1ccc2c(c1)occ(c2=O)c3ccccc3 Amb1107045 [1,1,0,0,0,0|0,0,0]=2 250 B20R3.82 COc1cc2CC(=O)N(c2cc1)c3ccccc3 Amb24105074 [0,1,0,0,1,0|2,0,0]=4 251 B20R3.2755443 Clc1ccc(cc1)c2c(C)oc3c2ccc(c3)C Amb1795408 [0,1,0,0,1,0|2,0,0]=4 252 B20R3.277098 Oc1cc2c(cc1)C(=O)N(c3ccccc3)C2=O Amb21984331 [0,1,0,0,1,0|1,0,0]=3 253 B20R3.86587 Cc1[n]c(c[s]1)C2=Cc3ccc(O)cc3OC2=O Amb19823540 [0,1,0,0,1,0|2,0,0]=4 254 B20R3.86587 Nc1[n]c(c[s]1)C2=Cc3ccc(O)cc3OC2=O Amb19830473 [0,1,0,0,1,0|2,0,0]=4 255 B22R3.636474 Oc1cc2OC(=O)C(=Cc2cc1)C(=O)c3ccccc3 Amb19202897 [0,1,0,0,0,1|0,0,0]=2 256 B22R3.636474 Oc1ccc2c(c1)oc(=O)c(c2)C(=O)c3ccccc3 Amb1203868 [0,1,0,0,0,1|0,0,0]=2 257 B22R3.1186985 COc1cc2NC(=O)\C(=C/c3ccccc3)\Oc2cc1 Amb24104707 [0,1,0,0,0,1|2,0,0]=4 258 B22R3.11063907 CC1=C(Cc2ccccc2)C(=O)Oc3cc(O)ccc31 Amb18374899 [0,1,0,0,0,1|0,0,0]=2 259 B22R3.11063907 CC=1Oc2cc(O)ccc2C(=O)C1Oc3ccccc3 Amb18526812 [0,1,0,0,0,1|1,0,0]=3 260 B22R3.11063907 Oc1ccc2c(c1)oc(=O)c(c2C)Cc3ccccc3 Amb1280060 [0,1,0,0,0,1|0,0,0]=2 261 B22R3.15015 COc1ccc(cc1)C2=Cc3ccc(O)cc3OC2=O Amb19514379 [0,2,0,0,0,0|0,0,0]=2 262 B22R3.1186986 COc1ccc2C=C(C(=O)Oc2c1)c3ccc(Br)cc3 Amb21928302 [0,2,0,0,0,0|0,0,0]=2 263 B22R3.1186986 COc1ccc2C=C(C(=O)Oc2c1)c3ccc(Cl)cc3 Amb19951792 [0,2,0,0,0,0|0,0,0]=2 264 B22R3.1186986 COc1ccc2C=C(C(=O)Oc2c1)c3ccc(F)cc3 Amb18479761 [0,2,0,0,0,0|0,0,0]=2 265 B22R3.1186986 COc1ccc2c(c1)oc(=O)c(c2)c3ccc(cc3)Cl Amb1272949 [0,2,0,0,0,0|0,0,0]=2 266 B22R3.5326982 Brc1ccc(cc1)c2c(=O)oc3c(c2C)ccc(c3)O Amb1273017 [0,2,0,0,0,0|0,0,0]=2 267 B22R3.5326982 CC1=C(C(=O)Oc2cc(O)ccc21)c3ccc(Br)cc3 Amb19816039 [0,2,0,0,0,0|0,0,0]=2 268 B22R3.5326982 CC1=C(C(=O)Oc2cc(O)ccc21)c3ccc(Cl)cc3 Amb19514374 [0,2,0,0,0,0|0,0,0]=2 269 B22R3.5326982 CC1=C(C(=O)Oc2cc(O)ccc21)c3ccc(O)cc3 Amb21928476 [0,2,0,0,0,0|0,0,0]=2 270 B22R3.5326982 CC=1Oc2cc(O)ccc2C(=O)C1c3ccc(Br)cc3 Amb19517190 [0,2,0,0,0,0|1,0,0]=3 271 B22R3.5326982 CC=1Oc2cc(O)ccc2C(=O)C1c3ccc(Cl)cc3 Amb19906497 [0,2,0,0,0,0|1,0,0]=3 272 B22R3.5326982 CC=1Oc2cc(O)ccc2C(=O)C1c3ccc(F)cc3 Amb19372212 [0,2,0,0,0,0|1,0,0]=3 273 B22R3.5326982 CC=1Oc2cc(O)ccc2C(=O)C1c3ccc(N)cc3 Amb21913061 [0,2,0,0,0,0|1,0,0]=3 274 B22R3.5326982 CC=1Oc2cc(O)ccc2C(=O)C1c3ccc(O)cc3 Amb18013047 [0,2,0,0,0,0|1,0,0]=3 275 B22R3.5326982 Cc1cc2OC(=O)C(c3ccc(Br)cc3)=C(C)c2cc1 Amb21928292 [0,2,0,0,0,0|1,0,0]=3 276 B22R3.5326982 Cc1cc2OC(=O)C(c3ccc(Cl)cc3)=C(C)c2cc1 Amb20665522 [0,2,0,0,0,0|1,0,0]=3 277 B22R3.5326982 Oc1cc2OC(=O)C(c3ccc(Br)cc3)=C(O)c2cc1 Amb19816056 [0,2,0,0,0,0|0,0,0]=2 278 B22R3.5326982 Oc1cc2OC(=O)C(c3ccc(Cl)cc3)=C(O)c2cc1 Amb19952371 [0,2,0,0,0,0|0,0,0]=2 279 B22R3.11656952 Oc1cc2OC(=O)C(=Cc2cc1)c3ccc(Cl)cc3Cl Amb20665314 [0,2,0,0,0,0|0,0,0]=2 280 B22R3.108120 COc1cc(ccc1)C2=Cc3ccc(O)cc3OC2=O Amb20654106 [0,2,0,0,0,0|0,0,0]=2 281 B22R3.5454418 CC1=C(C(=O)Oc2cc(O)ccc21)c3cc(Br)ccc3 Amb21928299 [0,2,0,0,0,0|0,0,0]=2 282 B22R3.5454418 CC1=C(C(=O)Oc2cc(O)ccc21)c3cc(Cl)ccc3 Amb20665322 [0,2,0,0,0,0|0,0,0]=2 283 B22R3.17398657 COc1ccc2C=C(C(=O)Oc2c1)c3cccc(Br)c3 Amb21928300 [0,2,0,0,0,0|0,0,0]=2 284 B22R3.17398657 COc1ccc2C=C(C(=O)Oc2c1)c3cccc(Cl)c3 Amb20665323 [0,2,0,0,0,0|0,0,0]=2 285 B22R3.72931579 Oc1cc2OC(=O)C(=Cc2cc1)c3cc(F)cc(F)c3 Amb19553052 [0,2,0,0,0,0|0,0,0]=2 286 B22R3.11063905 CC=1Oc2c(ccc(O)c2C)C(=O)C1c3ccccc3 Amb19532079 [0,2,0,0,0,0|1,0,0]=3 287 B22R3.11063905 CC=1Oc2c(ccc(O)c2O)C(=O)C1c3ccccc3 Amb19532553 [0,2,0,0,0,0|1,0,0]=3 288 B22R3.11063905 OC1=C(C(=O)Nc2c1ccc(Cl)c2Cl)c3ccccc3 Amb19668011 [0,2,0,0,0,0|2,0,0]=4 289 B22R3.28305 OC(=O)c1cc2NC(=O)C(=Cc2cc1)c3ccccc3 Amb18016720 [0,2,0,0,0,0|1,0,0]=3 290 B22R3.28305 [O-][N+](=O)c1cc2OC(=O)C(=Nc2cc1)c3ccccc3 Amb22480866 [0,2,0,0,0,0|1,0,1]=4 291 B22R3.3147401 CCOc1cc2OC(=N)C(=Cc2cc1)c3cccc[n]3 Amb19388738 [0,2,0,0,0,0|2,0,0]=4 292 B22R3.3147401 CCOc1cc2OC(=O)C(=Cc2cc1)c3ccccc3 Amb18479606 [0,2,0,0,0,0|0,0,0]=2 293 B22R3.17398662 COc1ccc2C=C(C(=O)Oc2c1)c3ccccc3Cl Amb20665318 [0,2,0,0,0,0|0,0,0]=2 294 B22R3.18103706 CC=1Oc2cc(ccc2C(=O)C1c3ccccc3)OC Amb20650184 [0,2,0,0,0,0|1,0,0]=3 295 B22R3.18103706 CC=1Oc2cc(ccc2C(=S)C1c3ccccc3)OC Amb22079444 [0,2,0,0,0,0|1,0,0]=3 296 B22R3.18103706 CC=1c2ccc(cc2OC(=O)C1c3ccccc3)OC Amb19946832 [0,2,0,0,0,0|0,0,0]=2 297 B22R3.18103706 COc1cc2NC(=O)C(=C(O)c2cc1)c3ccccc3 Amb19667377 [0,2,0,0,0,0|1,0,0]=3 298 B22R3.18103706 COc1ccc2C(=C)N(C(=O)Nc2c1)c3ccccc3 Amb17755512 [0,2,0,0,0,0|2,0,0]=4 299 B22R3.18103706 COc1ccc2c(c1)OC(=O)C(c3ccccc3)=C2O Amb21928488 [0,2,0,0,0,0|0,0,0]=2 300 B22R3.18103706 COc1ccc2c(c1)oc(=O)c(c2C)c3ccccc3 Amb1205863 [0,2,0,0,0,0|0,0,0]=2 301 B22R3.53618970 CC=1Oc2cc(O)cc(O)c2C(=O)C1c3ccccc3 Amb19667913 [0,2,0,0,0,0|1,0,0]=3 302 B22R3.53618970 CC=1c2c(cc(O)cc2O)OC(=O)C1c3ccccc3 Amb21928162 [0,2,0,0,0,0|0,0,0]=2 303 B22R3.53618970 Cc1cc(O)cc2OC(C)=C(C(=O)c12)c3cccc[n]3 Amb17989096 [0,2,0,0,0,0|2,0,0]=4 304 B22R3.53618970 Cc1cc2NC(=O)C(=C(O)c2c(C)c1)c3ccccc3 Amb20665734 [0,2,0,0,0,0|2,0,0]=4 305 B22R3.53618970 Oc1cc2OC(=O)C(c3ccccc3)=C(O)c2c(O)c1 Amb20670277 [0,2,0,0,0,0|0,0,0]=2 306 B22R3.53618970 Oc1cc2OC(=O)C(c3ccccc3)=C(O)c2c(O)c1 Amb22362668 [0,2,0,0,0,0|0,0,0]=2 307 B22R3.2931440 COc1ccccc1C2=Cc3ccc(O)cc3OC2=O Amb21928489 [0,2,0,0,0,0|0,0,0]=2 308 B22R3.75535164 CC1=C(C(=O)Oc2cc(O)ccc21)C3=CC=CCC3=S Amb21928497 [0,2,0,0,0,0|0,0,1]=3 309 B22R3.75535164 CC1=C(C(=O)Oc2cc(O)ccc21)c3ccccc3Cl Amb20665317 [0,2,0,0,0,0|0,0,0]=2 310 B22R3.75535164 CC=1Oc2cc(O)ccc2C(=O)C1c3ccccc3Cl Amb19513938 [0,2,0,0,0,0|1,0,0]=3 311 B22R3.75535164 CC=1Oc2cc(O)ccc2C(=O)C1c3ccccc3F Amb22552226 [0,2,0,0,0,0|1,0,0]=3 312 B22R3.75535164 Cc1ccccc1C=2C(=O)c3ccc(O)cc3OC2C Amb19513941 [0,2,0,0,0,0|1,0,0]=3 313 B22R3.66142 CC1=C(C(=O)Oc2cc(O)c(Cl)cc21)c3ccccc3 Amb21928349 [0,2,0,0,0,0|0,0,0]=2 314 B22R3.66142 CC1=C(C(=O)Oc2cc(O)c(N)cc21)c3ccccc3 Amb24084295 [0,2,0,0,0,0|0,0,0]=2 315 B22R3.66142 Cc1cc2C(O)=C(C(=O)Oc2cc1C)c3ccccc3 Amb22481101 [0,2,0,0,0,0|1,0,0]=3 316 B22R3.66142 Cc1cc2OC(=O)C(c3ccccc3)=C(C)c2cc1Cl Amb21928334 [0,2,0,0,0,0|1,0,0]=3 317 B22R3.66142 OC1=C(C(=O)Nc2cc(Cl)c(Cl)cc21)c3ccccc3 Amb19668051 [0,2,0,0,0,0|2,0,0]=4 318 B20R3.6008 O=C1Nc2cc(Cl)ccc2C1=Cc3ccccc3 Amb24097475 [0,0,1,1,0,0|2,0,0]=4 319 B20R3.407772 Cc1ccc(cc1)\C=C/2\C(=O)Nc3c2cccc3 Amb1240074 [0,0,1,1,0,0|2,0,0]=4 320 B20R3.407772 Clc1ccc(cc1)\C=C/2\C(=O)Nc3c2cccc3 Amb248260 [0,0,1,1,0,0|2,0,0]=4 321 B20R3.407772 Clc1ccc(cc1)\C=C/2\C(=O)Oc3c2cccc3 Amb209308 [0,0,1,1,0,0|1,0,0]=3 322 B20R3.407772 Fc1ccc(cc1)\C=C/2\C(=O)Nc3c2cccc3 Amb1233845 [0,0,1,1,0,0|2,0,0]=4 323 B20R3.407772 Fc1ccc(cc1)\C=C\2/C(=O)Nc3c2cccc3 Amb2426898 [0,0,1,1,0,0|2,0,0]=4 324 B20R3.407772 Nc1ccc(\C=C\2/C(=O)Nc3ccccc23)cc1 Amb22496963 [0,0,1,1,0,0|2,0,0]=4 325 B20R3.407772 Oc1ccc(\C=C\2/C(=O)Nc3ccccc23)cc1 Amb19825021 [0,0,1,1,0,0|1,0,0]=3 326 B20R3.407772 Oc1ccc(cc1)\C=C/2\C(=O)Nc3c2cccc3 Amb124003 [0,0,1,1,0,0|1,0,0]=3 327 B20R3.407772 Oc1ccc(cc1)\N=C\2/C(=O)Nc3ccccc32 Amb18010302 [0,0,1,1,0,0|2,0,0]=4 328 B20R4.1699069 c1ccc2c(c1)[nH]c3nc4ccccc4cc23 Amb17768242 [1,0,0,1,0,0|2,0,0]=4 329 B20R4.1699069 c1ccc2c(c1)[nH]c3nc4ccccc4cc23 Amb17843377 [1,0,0,1,0,0|2,0,0]=4 330 B20R4.1699069 c1ccc2c(c1)[nH]c3nc4ccccc4cc23 Amb17843379 [1,0,0,1,0,0|2,0,0]=4 331 B20R4.1699069 c1ccc2c(c1)c3cc4ccccc4nc3C2 Amb1153786 [1,0,0,1,0,0|2,0,0]=4 332 B20R4.1699069 c1ccc2c(c1)cc3c(c2)sc4c3cccc4 Amb10807569 [1,0,0,1,0,0|1,1,0]=4 333 B20R4.1699069 c:1:c-2:c3ccccc3:c:c2:[s]:c4ccccc41 Amb19205477 [1,0,0,1,0,0|1,1,0]=4 334 B20R4.1699069 c:1:c-2:c3ccccc3:c:c2:o:c4ccccc41 Amb19667415 [1,0,0,1,0,0|1,0,0]=3 335 B18R2.6539 Clc1ccc(c(c1)OC(=O)c2ccccc2)O Amb13882884 [0,0,1,0,1,0|2,0,0]=4 336 B18R2.2248 Oc1cc(O)c(cc1)\C(=N/O)\c2ccccc2 Amb19936577 [0,0,1,0,1,0|1,0,1]=4 337 B18R2.9267 Nc1ccc(cc1)C(C(O)=O)c2ccccc2 Amb24089901 [0,0,1,0,1,0|1,0,1]=4 338 B18R2.9267 OC(=O)C(c1ccccc1)c2ccc(cc2)Br Amb10565555 [0,0,1,0,1,0|1,0,1]=4 339 B18R2.29964 Clc1ccc(cc1)\C=C(\c2cccs2)/C(=O)O Amb232067 [0,0,1,0,1,0|2,0,0]=4 340 B18R2.29964 Fc1ccc(cc1)\C=C(/c2cccs2)\C(=O)O Amb1102799 [0,0,1,0,1,0|2,0,0]=4 341 B18R2.29964 Fc1ccc(cc1)\C=C(\c2cccs2)/C(=O)O Amb11926 [0,0,1,0,1,0|2,0,0]=4 342 B18R3.111 Brc1c(cc2cccc[n]21)-c3ccccc3 Amb22001852 [1,0,0,0,1,0|2,0,0]=4 343 B18R3.111 CC1=C(Cc2ccccc12)c3ccccc3 Amb17778914 [1,0,0,0,1,0|1,0,1]=4 344 B18R3.111 CC1C(=Cc2ccccc12)c3ccccc3 Amb17844050 [1,0,0,0,1,0|1,0,1]=4 345 B18R3.111 Cc1c(cc2n1cccc2)c3ccccc3 Amb1539221 [1,0,0,0,1,0|2,0,0]=4 346 B18R3.111 Cc1c(oc2ccccc21)-c3ccccc3 Amb24103857 [1,0,0,0,1,0|2,0,0]=4 347 B18R3.111 Clc1c([s]c2ccccc21)-c3ccccc3 Amb24092828 [1,0,0,0,1,0|2,0,0]=4 348 B18R3.111 Cn1c(cc2c1cccc2)c3ccccc3 Amb1883300 [1,0,0,0,1,0|2,0,0]=4 349 B18R3.111 O=C1C(=Nc2c1cccc2)c3ccccc3 Amb2239377 [1,0,0,0,1,0|1,0,0]=3 350 B18R3.111 O=C1C(=Nc2ccccc21)c3cccc[n]3 Amb21947821 [1,0,0,0,1,0|2,0,0]=4 351 B18R3.111 O=C1C(Nc2c1cccc2)c3ccccc3 Amb17595626 [1,0,0,0,1,0|1,0,1]=4 352 B18R3.111 O=C1C(Oc2ccccc21)c3ccccc3 Amb22454841 [1,0,0,0,1,0|1,0,1]=4 353 B18R3.111 O=C1C(Sc2c1cccc2)c3ccccc3 Amb10563057 [1,0,0,0,1,0|1,0,1]=4 354 B18R3.111 O=C1N(Cc2c1cccc2)c3ccccc3 Amb1263795 [1,0,0,0,1,0|1,0,1]=4 355 B18R3.111 O=C1c2ccccc2NN1c3ccccc3 Amb22468354 [1,0,0,0,1,0|2,0,0]=4 356 B18R3.111 O=C1c2ccccc2[Se]N1c3ccccc3 Amb19930433 [1,0,0,0,1,0|2,0,0]=4 357 B18R3.111 On1c(cc2c1cccc2)c3ccccc3 Amb1155953 [1,0,0,0,1,0|1,0,1]=4 358 B18R3.182 CC1=C(c2ccccc2C1)c3ccccc3 Amb17778908 [1,0,0,0,1,0|2,0,0]=4 359 B18R3.182 Cc1[nH]c2ccccc2c1-c3ccccc3 Amb17778633 [1,0,0,0,1,0|2,0,0]=4 360 B18R3.182 Ic1[nH]c2ccccc2c1-c3ccccc3 Amb24067553 [1,0,0,0,1,0|2,0,0]=4 361 B18R3.182 O=C1CN2C=CC=CC2=C1c3ccccc3 Amb17938220 [1,0,0,0,1,0|2,0,0]=4 362 B18R3.182 O=C1Cc2c(N1c3ccccc3)cccc2 Amb1261607 [1,0,0,0,1,0|2,0,0]=4 363 B18R3.182 O=C1Nc2ccccc2N1c3ccccc3 Amb18035982 [1,0,0,0,1,0|2,0,0]=4 364 B18R3.182 O=C1Sc2ccccc2N1c3ccccc3 Amb22359540 [1,0,0,0,1,0|1,1,0]=4 365 B18R3.182 Oc1[nH]c2ccccc2c1-c3ccccc3 Amb22448869 [1,0,0,0,1,0|1,0,1]=4 366 B18R3.182 [O-][n+]1oc2ccccc2c1-c3ccccc3 Amb22480661 [1,0,0,0,1,0|1,0,1]=4 367 B18R3.54 Clc1ccc2c(c1)scc2c3ccccc3 Amb2444778 [1,0,0,0,1,0|1,1,0]=4 368 B18R3.54 Oc1ccc2c([nH]cc2-c3ccccc3)[n]1 Amb24330739 [1,0,0,0,1,0|2,0,0]=4 369 B18R3.54 Oc1ccc2c(c1)onc2c3ccccc3 Amb10789165 [1,0,0,0,1,0|1,0,0]=3 370 B18R3.32722 Brc1c[n]2cc(cc2cc1)-c3ccccc3 Amb22499420 [1,0,0,0,1,0|2,0,0]=4 371 B18R3.32722 Brc1cc2cc(oc2cc1)-c3ccccc3 Amb22433537 [1,0,0,0,1,0|2,0,0]=4 372 B18R3.32722 Brc1ccc2c(c1)[nH]c(c2)c3ccccc3 Amb13883730 [1,0,0,0,1,0|2,0,0]=4 373 B18R3.32722 Brc1ccc2c(c1)oc(n2)c3ccccc3 Amb17305243 [1,0,0,0,1,0|2,0,0]=4 374 B18R3.32722 Cc1cc2[s]c(cc2cc1)-c3ccccc3 Amb22750550 [1,0,0,0,1,0|1,1,0]=4 375 B18R3.32722 Cc1ccc2c(c1)[nH]c(c2)c3ccccc3 Amb1021880 [1,0,0,0,1,0|2,0,0]=4 376 B18R3.32722 Cc1ccc2c(c1)cc([nH]2)c3ccccc3 Amb1014526 [1,0,0,0,1,0|2,0,0]=4 377 B18R3.32722 Cc1ccn2c(c1)cc(c2)c3ccccc3 Amb1967084 [1,0,0,0,1,0|2,0,0]=4 378 B18R3.32722 Clc1cc2[nH]c(cc2cc1)-c3ccccc3 Amb24067648 [1,0,0,0,1,0|2,0,0]=4 379 B18R3.32722 Clc1cc2cc(oc2cc1)-c3ccccc3 Amb23513421 [1,0,0,0,1,0|2,0,0]=4 380 B18R3.32722 Clc1ccc2c(c1)cc([nH]2)c3ccccc3 Amb2432514 [1,0,0,0,1,0|2,0,0]=4 381 B18R3.32722 Fc1cc2[nH]c(cc2cc1)-c3ccccc3 Amb20171557 [1,0,0,0,1,0|2,0,0]=4 382 B18R3.32722 Fc1cc2oc([n]c2cc1)-c3ccccc3 Amb22441661 [1,0,0,0,1,0|2,0,0]=4 383 B18R3.32722 Nc1cc2[nH]c(cc2cc1)-c3ccccc3 Amb20621982 [1,0,0,0,1,0|2,0,0]=4 384 B18R3.32722 Nc1cc2cc([nH]c2cc1)-c3ccccc3 Amb18176326 [1,0,0,0,1,0|2,0,0]=4 385 B18R3.32722 Nc1ccc2c(c1)cc(o2)c3ccccc3 Amb1099014 [1,0,0,0,1,0|2,0,0]=4 386 B18R3.32722 Oc1cc2cc([nH]c2cc1)-c3ccccc3 Amb24067460 [1,0,0,0,1,0|1,0,0]=3 387 B18R3.32722 Oc1cc2cc(oc2cc1)-c3ccccc3 Amb24086383 [1,0,0,0,1,0|1,0,0]=3 388 B18R3.32722 Oc1ccc2c(c1)nc([nH]2)c3ccccc3 Amb2100126 [1,0,0,0,1,0|2,0,0]=4 389 B18R3.32722 Oc1ccc2c(c1)oc(n2)c3ccccn3 Amb17479194 [1,0,0,0,1,0|2,0,0]=4 390 B18R3.32722 Oc1ccc2c(c1)oc(n2)c3cccnc3 Amb17479163 [1,0,0,0,1,0|2,0,0]=4 391 B18R3.32722 Oc1ccc2c(c1)oc(n2)c3ccncc3 Amb17479164 [1,0,0,0,1,0|2,0,0]=4 392 B18R3.32722 Oc1ccc2c(c1)sc(n2)c3ccccc3 Amb17513366 [1,0,0,0,1,0|1,1,0]=4 393 B20R2.240677 Clc1ccc(cc1)N\C=C(/c2ccccc2)\C(=O)C Amb2431886 [0,0,1,0,0,1|2,0,0]=4 394 B20R2.240677 Ic1ccc(cc1)N\C=C(/c2ccccc2)\C(=O)C Amb2431894 [0,0,1,0,0,1|2,0,0]=4 395 B20R3.411 Cc1[n]c2ccccc2cc1Oc3ccccc3 Amb22750816 [1,0,0,0,0,1|2,0,0]=4 396 B20R3.411 O=C/1Oc2ccccc2N\C1=C\c3ccccc3 Amb23467178 [1,0,0,0,0,1|1,0,0]=3 397 B20R3.411 O=C/1Sc2ccccc2N\C1=C\c3ccccc3 Amb22283094 [1,0,0,0,0,1|1,1,0]=4 398 B20R3.411 O=C/1Sc2ccccc2N\C1=C\c3ccccc3 Amb23467179 [1,0,0,0,0,1|1,1,0]=4 399 B20R3.411 O=C1Nc2ccccc2N=C1Cc3ccccc3 Amb19870203 [1,0,0,0,0,1|2,0,0]=4 400 B20R3.411 O=C1Oc2ccccc2C=C1Sc3[n]ccc[n]3 Amb21989224 [1,0,0,0,0,1|2,0,0]=4 401 B20R3.411 O=C1Oc2ccccc2C=C1Sc3cccc[n]3 Amb21989175 [1,0,0,0,0,1|1,0,0]=3 402 B20R3.411 O=C1Oc2ccccc2C=C1Sc3ccccc3 Amb20662115 [1,0,0,0,0,1|0,0,0]=2 403 B20R3.411 O=c/1[nH]c2ccccc2o\c1=C/c3ccccc3 Amb16494117 [1,0,0,0,0,1|2,0,0]=4 404 B20R3.411 O=c/1oc2ccccc2[nH]\c1=C/c3ccccc3 Amb2226167 [1,0,0,0,0,1|1,0,0]=3 405 B20R3.411 O=c/1sc2ccccc2[nH]\c1=C\c3ccccc3 Amb1041137 [1,0,0,0,0,1|1,1,0]=4 406 B20R3.411 Sc1nc2ccccc2cc1Cc3ccccc3 Amb17677385 [1,0,0,0,0,1|1,1,0]=4 407 B20R3.455 O=C1COc2c(CN1c3ccccc3)cccc2 Amb1058348 [1,0,0,0,0,1|1,0,1]=4 408 B20R3.12909 O=C1Nc2ccccc2N=C(C1)c3ccccc3 Amb1540183 [1,0,0,0,0,1|2,0,0]=4 409 B20R3.12909 O=C1Nc2ccccc2NC(=C1)c3ccccc3 Amb17839439 [1,0,0,0,0,1|2,0,0]=4 410 B20R3.5787 Cc1cc2NC(=O)N=C(c2cc1)c3ccccc3 Amb24112978 [0,0,0,0,1,1|2,0,0]=4 411 B20R3.5787 O=C1Nc2cc(O)ccc2C(C1)c3ccccc3 Amb12806560 [0,0,0,0,1,1|1,0,1]=4 412 B20R3.5787 O=C1Oc2cc(C)ccc2C(C1)c3ccccc3 Amb10822389 [0,0,0,0,1,1|1,0,1]=4 413 B20R3.5787 O=C1Oc2cc(O)ccc2C(C1)c3ccccc3 Amb1000997 [0,0,0,0,1,1|0,0,1]=3 414 B20R3.5787 Oc1cc2OC(=O)C=C(c2cc1)c3c[n]ccc3 Amb19882299 [0,0,0,0,1,1|1,0,0]=3 415 B20R3.5787 Oc1cc2OC(=O)C=C(c2cc1)c3cc[n]cc3 Amb19882298 [0,0,0,0,1,1|1,0,0]=3 416 B20R3.5787 Oc1cc2OC(=O)C=C(c2cc1)c3cc[n]cc3 Amb19895176 [0,0,0,0,1,1|1,0,0]=3 417 B20R3.5787 Oc1cc2OC(=O)C=C(c2cc1)c3cccc[n]3 Amb19882301 [0,0,0,0,1,1|1,0,0]=3 418 B20R3.5787 Oc1cc2OC(=O)C=C(c2cc1)c3ccccc3 Amb18010192 [0,0,0,0,1,1|0,0,0]=2 419 B20R3.5787 Oc1ccc2c(c1)oc(=O)cc2c3ccccc3 Amb1207302 [0,0,0,0,1,1|0,0,0]=2 420 B20R3.93401 Brc1ccc2c(c1)C(=O)\C(=C\c3ccccc3)\C2 Amb10555221 [0,0,0,0,1,1|1,0,1]=4 421 B20R3.93401 Clc1ccc2c(c1)C(=O)\C(=C/c3ccccc3)\O2 Amb10554931 [0,0,0,0,1,1|2,0,0]=4 422 B20R3.93401 Clc1ccc2c(c1)C(=O)\C(=C\c3ccccc3)\C2 Amb10555223 [0,0,0,0,1,1|1,0,1]=4 423 B20R3.93401 O=C1C(Nc2ccccc2)=Nc3ccc(Cl)cc31 Amb24121332 [0,0,0,0,1,1|2,0,0]=4 424 B20R3.93639 Cc1cc2C(=O)C(=COc2cc1)c3ccccc3 Amb21815700 [0,0,0,0,1,1|1,0,0]=3 425 B20R3.93639 Nc1cc2C(=O)C(=COc2cc1)c3ccccc3 Amb18662995 [0,0,0,0,1,1|1,0,0]=3 426 B22R3.636471 Cc1cc2NC(=O)C(CNc3ccccc3)=Cc2cc1 Amb19913845 [0,0,0,0,0,2|2,0,0]=4 427 B22R3.636471 Cc1cc2NC(=O)C(\C=N\c3ccccc3)=Cc2cc1 Amb19862017 [0,0,0,0,0,2|2,0,0]=4