0 B12R1.75 CC(C)Oc1c(cccn1)C=O AB30397 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.75 CC(Cc1ccccc1OC)N MB01561 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.41 CCCc1c(cccn1)C#N AB28607 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.41 COc1c(cccn1)CCN AB45444 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.86 CC(C)Oc1c(cccn1)I AB25867 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.86 CC(C)Oc1c(cccn1)O MB23249 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.86 Cc1ccccc1CC(C)N MB01550 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.51 CC(C)Oc1ccc(cc1OC)O MB36993 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.91 CC(CN)Oc1ccccc1OC AB38901 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.115 CC(C)Oc1cccc(c1OC)O MB28613 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.2135 CC(C)Oc1c(cccc1OC)O MB25436 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.3089 CC(C)Oc1cc(ccc1OC)O MB38059 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.222 CC1(CNc2c(cccn2)O1)C AB70680 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.222 CC1(COc2ccccc2N1)C AB72712 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.581 COc1cccc2c1CC(C2)N AB69970 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.621 CCc1c(cccn1)OC2CC2 MB48723 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.621 CNc1c(cccn1)OC2CC2 MB36945 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.621 COc1c(cccn1)OC2CC2 MB38283 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.621 COc1ccccc1OC2CC2 MB27196 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.621 CSc1c(cccn1)OC2CC2 MB33442 [0,0,0,1,0,0|2,1,0]=4 21 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,0,0,0,1,0|2,0,1]=4 22 B11R1.53 CC(C)c1cccnc1C=O AB65916 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,0,0,0,1,0|3,0,0]=4 24 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.4 Cc1c(cccn1)CCN AB66943 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.4 Cc1c(cccn1)CNC AB66889 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.4 Cc1cccnc1CCN AB31462 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.20 COc1c(cccn1)CCl AB54482 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.20 COc1c(cccn1)CN PB10680 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.20 COc1c(cccn1)CN PB15194 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.20 COc1c(cccn1)CO PB20446 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.20 COc1c(nccn1)C#N AB22503 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.20 COc1c(nccn1)C=O AB55611 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.20 COc1c(nncn1)CN PB39100 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.20 COc1cccnc1CCl AB60052 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.20 COc1cccnc1CN AB40619 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.20 COc1cccnc1CO MB05449 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.20 COc1cccnc1OC AB13430 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.18 CC(C)Oc1ccccn1 AB63711 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.18 CC(Cc1ccccn1)N AB12969 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.18 CC(Cc1cccnc1)N AB23775 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.18 CC(Cc1cnccn1)N AB28467 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.121 COc1c(cccn1)CCCN AB55116 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.121 COc1ccccc1CCCN AB07599 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.151 CC(C)(C)Oc1c(cccn1)O MB22208 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.151 CC(C)(C)Oc1c(nccn1)Cl MB13979 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.46 CC(C)c1cc(ccc1OC)O MB02677 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.57 CC(C)c1ccc(cc1OC)O MB33914 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.57 CN(C)c1c(nc(cn1)Br)OC MB19785 [0,1,0,0,1,0|1,0,0]=3 51 B12R1.76 CC(C)(c1ccccc1OC)N AB54647 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.76 CC(C)(c1cccnc1OC)N AB67115 [0,1,0,0,1,0|1,0,0]=3 53 B12R1.87 CC(C)c1cccc(c1OC)N CB11258 [0,1,0,0,1,0|2,0,0]=4 54 B12R1.87 CC(C)c1cccc(c1OC)O MB07580 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.437 CC(C)c1c(cccc1OC)O MB31009 [0,1,0,0,1,0|2,0,0]=4 56 B12R2.1 CNC1COc2c1cccn2 AB70122 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.315 COc1c2c(ccn1)CNC2 AB77511 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.225 Cc1c(cccn1)OC2CC2 MB33626 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.225 c1cnc(c(n1)NC2CC2)Cl MB13986 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.225 c1cnc(c(n1)OC2CC2)Cl MB13982 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.117 COc1c(ccc(n1)Br)OC2CC2 MB61191 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.117 COc1c(ccc(n1)Cl)OC2CC2 MB61194 [0,1,0,1,0,0|2,0,0]=4 64 B14R2.117 COc1c(ccc(n1)F)OC2CC2 MB61177 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.117 COc1c(ccc(n1)I)OC2CC2 MB61180 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.117 COc1c(ccc(n1)N)OC2CC2 MB61186 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.117 COc1cc(ccc1CC2CC2)O MB30706 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.117 Cc1ccc(c(n1)OC)OC2CC2 MB61164 [0,1,0,1,0,0|2,0,0]=4 69 B14R2.3574 COc1c(cccc1O)CC2CC2 MB32160 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.1201 COc1c(c(ccn1)Br)OC2CC2 MB61423 [0,1,0,1,0,0|2,0,0]=4 71 B14R2.1201 COc1c(c(ccn1)Cl)OC2CC2 MB61425 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.1201 COc1c(c(ccn1)F)OC2CC2 MB61349 [0,1,0,1,0,0|2,0,0]=4 73 B14R2.1201 COc1c(c(ccn1)I)OC2CC2 MB61351 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.1201 COc1c(c(ccn1)N)OC2CC2 MB61360 [0,1,0,1,0,0|2,0,0]=4 75 B14R2.1201 COc1cccc(c1CC2CC2)O MB25812 [0,1,0,1,0,0|2,0,0]=4 76 B14R2.1201 Cc1ccnc(c1OC2CC2)OC MB61344 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.104 COc1c(cc(cn1)Br)OC2CC2 MB61330 [0,1,0,1,0,0|2,0,0]=4 78 B14R2.104 COc1c(cc(cn1)Cl)OC2CC2 MB61331 [0,1,0,1,0,0|2,0,0]=4 79 B14R2.104 COc1c(cc(cn1)F)OC2CC2 MB61219 [0,1,0,1,0,0|2,0,0]=4 80 B14R2.104 COc1c(cc(cn1)I)OC2CC2 MB61222 [0,1,0,1,0,0|2,0,0]=4 81 B14R2.104 COc1c(cc(cn1)N)OC2CC2 MB61225 [0,1,0,1,0,0|2,0,0]=4 82 B14R2.104 Cc1cc(c(nc1)OC)OC2CC2 MB61208 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,0,0,0,1,0|1,0,0]=3 84 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [1,0,0,0,1,0|1,0,0]=3 85 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [1,0,0,0,1,0|2,0,0]=4 87 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [1,0,0,0,1,0|1,0,0]=3 88 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [1,0,0,0,1,0|2,0,0]=4