0 B19R2.8898 CC(=NNC(=O)c1ccccc1)c2ccccc2 4a_100000184135_100000185851 [0,0,0,0,0,0|3,0,0]=3 1 B19R2.8898 CC(=NNC(=O)c1ccccc1)c2ccccn2 4a_100000184135_100000210467 [0,0,0,0,0,0|4,0,0]=4 2 B19R2.8898 CC(=NNC(=O)c1ccccc1)c2cccnc2 4a_100000184135_100000210468 [0,0,0,0,0,0|4,0,0]=4 3 B19R2.8898 CC(=NNC(=O)c1ccccc1)c2ccncc2 4a_100000184135_100000185792 [0,0,0,0,0,0|4,0,0]=4 4 B19R2.8898 CC(=NNC(=O)c1ccccn1)c2ccccc2 4a_100000184044_100000185851 [0,0,0,0,0,0|4,0,0]=4 5 B19R2.8898 CC(=NNC(=O)c1cccnc1)c2ccccc2 4a_100000189771_100000185851 [0,0,0,0,0,0|4,0,0]=4 6 B19R2.8898 CC(=NNC(=O)c1ccncc1)c2ccccc2 4a_100000189768_100000185851 [0,0,0,0,0,0|4,0,0]=4 7 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 11a_100000701038_100000185807 [0,0,0,0,0,0|3,0,1]=4 8 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 1626a_100000701038_100000185807 [0,0,0,0,0,0|3,0,1]=4 9 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 240690a_100000701038_100000185807 [0,0,0,0,0,0|3,0,1]=4 10 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 527a_100000701038_100000185807 [0,0,0,0,0,0|3,0,1]=4 11 B19R2.8898 CC(SCC(=O)c1ccccc1)c2ccccc2 62a_100000211460_100000230085 [0,0,0,0,0,0|2,1,1]=4 12 B19R2.8898 CC(SCC(=O)c1ccccc1)c2ccccc2 62a_100000230085_100000211460 [0,0,0,0,0,0|2,1,1]=4 13 B19R2.8898 CN(CCC(=O)c1ccccc1)c2ccccc2 2230a_100000210012_100000750707 [0,0,0,0,0,0|4,0,0]=4 14 B19R2.8898 CN(CCC(=O)c1ccccc1)c2ccccc2 269982a_100000210012_100000750707 [0,0,0,0,0,0|4,0,0]=4 15 B19R2.8898 CN(COC(=O)c1ccccc1)c2ccccc2 269982a_100000210012_100000073877 [0,0,0,0,0,0|3,0,0]=3 16 B19R2.8898 C[C@@H](OCC(=O)c1ccccc1)c2ccccc2 7a_100000761318_100000211460 [0,0,0,0,0,0|2,0,1]=3 17 B19R2.8898 C[C@@H](OCC(=O)c1ccccn1)c2ccccc2 34a_100000761318_100000027445 [0,0,0,0,0,0|3,0,1]=4 18 B19R2.8898 C[C@@H](OCC(=O)c1ccccn1)c2ccccc2 7a_100000761318_100000027445 [0,0,0,0,0,0|3,0,1]=4 19 B19R2.8898 C[C@@H](OCC(=O)c1ccncc1)c2ccccc2 7a_100000761318_100015248511 [0,0,0,0,0,0|3,0,1]=4 20 B19R2.8898 O=C(CCC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000750707 [0,0,0,0,0,0|2,0,0]=2 21 B19R2.8898 O=C(CC[C@@H](O)c1ccccc1)c2ccccc2 1458a_100000185807_100000729684 [0,0,0,0,0,0|2,0,2]=4 22 B19R2.8898 O=C(COC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000073877 [0,0,0,0,0,0|1,0,0]=1 23 B19R2.8898 O=C(NCC(O)c1ccccc1)c2ccccc2 240690a_100000210709_100000185807 [0,0,0,0,0,0|2,0,2]=4 24 B19R2.8898 O=C(NCC(O)c1ccccc1)c2ccccc2 527a_100000210709_100000185807 [0,0,0,0,0,0|2,0,2]=4 25 B19R2.8898 O=C(NNC(=O)c1ccccc1)c2ccccc2 22a_100000184135_100000185807 [0,0,0,0,0,0|2,0,0]=2 26 B19R2.8898 O=C(NNC(=O)c1ccccn1)c2ccccc2 22a_100000184044_100000185807 [0,0,0,0,0,0|3,0,0]=3 27 B19R2.8898 O=C(NNC(=O)c1cccnc1)c2ccccc2 22a_100000189771_100000185807 [0,0,0,0,0,0|3,0,0]=3 28 B19R2.8898 O=C(NNC(=O)c1ccncc1)c2ccccc2 22a_100000189768_100000185807 [0,0,0,0,0,0|3,0,0]=3 29 B19R2.8898 O=C(NNC(=O)c1ccncn1)c2ccccc2 22a_100000084330_100000185807 [0,0,0,0,0,0|4,0,0]=4 30 B18R2.7189 O=C(C/C=C/c1ccccc1)c2ccccc2 1458a_100000185807_100016265936 [1,0,0,0,0,0|2,0,0]=3 31 B18R2.7189 O=C(CC#Cc1ccccc1)c2ccccc2 1458a_100000185807_100011352542 [1,0,0,0,0,0|2,0,1]=4 32 B18R2.7189 O=C(CCCc1ccccc1)c2ccccc2 1458a_100000185807_100000211621 [1,0,0,0,0,0|2,0,1]=4 33 B18R2.7189 O=C(CCOc1ccccc1)c2ccccc2 1458a_100000185807_100000184471 [1,0,0,0,0,0|3,0,0]=4 34 B18R2.7189 O=C(CCOc1ccccc1)c2ccccc2 7a_100000210340_100000750707 [1,0,0,0,0,0|3,0,0]=4 35 B18R2.7189 O=C(CCSc1ccccc1)c2ccccc2 1458a_100000185807_100000246102 [1,0,0,0,0,0|3,0,0]=4 36 B18R2.7189 O=C(CCSc1ccccc1)c2ccccc2 62a_100000719477_100000750707 [1,0,0,0,0,0|3,0,0]=4 37 B18R2.7189 O=C(CCSc1ccccc1)c2ccccc2 62a_100000750707_100000041952 [1,0,0,0,0,0|3,0,0]=4 38 B18R2.7189 O=C(COCc1ccccc1)c2ccccc2 7a_100000210790_100000211460 [1,0,0,0,0,0|1,0,1]=3 39 B18R2.7189 O=C(COCc1ccccc1)c2ccccn2 34a_100000210790_100000027445 [1,0,0,0,0,0|2,0,1]=4 40 B18R2.7189 O=C(COCc1ccccc1)c2ccccn2 7a_100000210790_100000027445 [1,0,0,0,0,0|2,0,1]=4 41 B18R2.7189 O=C(COCc1ccccc1)c2ccncc2 7a_100000210790_100015248511 [1,0,0,0,0,0|2,0,1]=4 42 B18R2.7189 O=C(CSCc1ccccc1)c2ccccc2 1458a_100000185807_200011217039 [1,0,0,0,0,0|1,1,1]=4 43 B18R2.7189 O=C(CSCc1ccccc1)c2ccccc2 62a_100000211182_100000211460 [1,0,0,0,0,0|1,1,1]=4 44 B18R2.7189 O=C(CSCc1ccccc1)c2ccccc2 62a_100000211460_100015291786 [1,0,0,0,0,0|1,1,1]=4 45 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 11a_100000106460_100000185807 [1,0,0,0,0,0|2,0,1]=4 46 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 1626a_100000106460_100000185807 [1,0,0,0,0,0|2,0,1]=4 47 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 240690a_100000106460_100000185807 [1,0,0,0,0,0|2,0,1]=4 48 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 527a_100000106460_100000185807 [1,0,0,0,0,0|2,0,1]=4 49 B18R2.7189 O=C(NN=Cc1ccccc1)c2ccccc2 4a_100000184135_100015611070 [1,0,0,0,0,0|2,0,0]=3 50 B18R2.7189 O=C(NN=Cc1ccccc1)c2ccccn2 4a_100000184044_100015611070 [1,0,0,0,0,0|3,0,0]=4 51 B18R2.7189 O=C(NN=Cc1ccccc1)c2cccnc2 4a_100000189771_100015611070 [1,0,0,0,0,0|3,0,0]=4 52 B18R2.7189 O=C(NN=Cc1ccccc1)c2ccncc2 4a_100000189768_100015611070 [1,0,0,0,0,0|3,0,0]=4 53 B18R2.7189 O=C(NN=Cc1ccccn1)c2ccccc2 4a_100000184135_100000209966 [1,0,0,0,0,0|3,0,0]=4 54 B18R2.7189 O=C(NN=Cc1cccnc1)c2ccccc2 4a_100000184135_100000209961 [1,0,0,0,0,0|3,0,0]=4 55 B18R2.7189 O=C(NN=Cc1ccncc1)c2ccccc2 4a_100000184135_100000186114 [1,0,0,0,0,0|3,0,0]=4 56 B18R2.7189 O=C(NNCc1ccccc1)c2ccccc2 22a_100000007032_100000185807 [1,0,0,0,0,0|2,0,1]=4 57 B18R2.7189 O=C(OCOc1ccccc1)c2ccccc2 7a_100000210340_100000073877 [1,0,0,0,0,0|2,0,0]=3 58 B18R2.7189 O=C(OCOc1cccnc1)c2ccccc2 7a_100000210849_100000073877 [1,0,0,0,0,0|3,0,0]=4 59 B18R2.7189 O=C(OCSc1ccccc1)c2ccccc2 62a_100000073877_100000041952 [1,0,0,0,0,0|2,0,0]=3 60 B18R2.7189 O=C(OCSc1ccccc1)c2ccccc2 62a_100000719477_100000073877 [1,0,0,0,0,0|2,0,0]=3 61 B18R2.7189 O=C(OCSc1ccccn1)c2ccccc2 62a_100000073877_100011216584 [1,0,0,0,0,0|3,0,0]=4 62 B18R2.7189 O=C(OCSc1ccccn1)c2ccccc2 62a_100011216584_100000073877 [1,0,0,0,0,0|3,0,0]=4 63 B18R2.7189 O=C(OCSc1cccnc1)c2ccccc2 62a_100000073877_100000210063 [1,0,0,0,0,0|3,0,0]=4 64 B18R2.7189 O=C(OCSc1cccnc1)c2ccccc2 62a_100000210063_100000073877 [1,0,0,0,0,0|3,0,0]=4 65 B18R2.7189 O=C(OCSc1ccncc1)c2ccccc2 62a_100000073877_100000728582 [1,0,0,0,0,0|3,0,0]=4 66 B18R2.7189 O=C(OCSc1ccncc1)c2ccccc2 62a_100000728582_100000073877 [1,0,0,0,0,0|3,0,0]=4 67 B20R2.1960 C#CC(OCC(=O)c1ccccc1)c2ccccc2 7a_100011219616_100000211460 [0,1,0,0,0,0|2,0,1]=4 68 B20R2.1960 C=CC(=NNC(=O)c1ccccc1)c2ccccc2 4a_100000184135_200000750708 [0,1,0,0,0,0|3,0,0]=4 69 B20R2.1960 C=CC(OCC(=O)c1ccccc1)c2ccccc2 7a_100011215659_100000211460 [0,1,0,0,0,0|2,0,1]=4 70 B20R2.1960 CCC(=NNC(=O)c1ccccc1)c2ccccc2 4a_100000184135_100000210124 [0,1,0,0,0,0|3,0,0]=4 71 B20R2.1960 CCC(OCC(=O)c1ccccc1)c2ccccc2 7a_100000698172_100000211460 [0,1,0,0,0,0|2,0,1]=4 72 B20R2.1960 CCN(COC(=O)c1ccccc1)c2ccccc2 269982a_100000210013_100000073877 [0,1,0,0,0,0|3,0,0]=4 73 B20R2.1960 N#CC(OCC(=O)c1ccccc1)c2ccccc2 7a_100011217353_100000211460 [0,1,0,0,0,0|2,0,1]=4 74 B20R2.1960 O=C(COC(CBr)c1ccccc1)c2ccccc2 7a_100000185958_100000211460 [0,1,0,0,0,0|2,0,1]=4 75 B20R2.1960 O=C(CO[C@H](CCl)c1ccccc1)c2ccccc2 7a_100011933945_100000211460 [0,1,0,0,0,0|2,0,1]=4 76 B20R2.1960 O=C(NN=C(CF)c1ccccc1)c2ccccc2 4a_100000184135_100000069468 [0,1,0,0,0,0|3,0,0]=4 77 B20R2.1960 O=C(NN=C(CO)c1ccccc1)c2ccccc2 4a_100000184135_100000748912 [0,1,0,0,0,0|2,0,1]=4 78 B20R2.4653 CC(=NNC(=O)c1cccc(c1)Br)c2ccccc2 4a_100000189783_100000185851 [0,1,0,0,0,0|3,0,0]=4 79 B20R2.4653 CC(=NNC(=O)c1cccc(c1)C)c2ccccc2 4a_100000189845_100000185851 [0,1,0,0,0,0|3,0,0]=4 80 B20R2.4653 CC(=NNC(=O)c1cccc(c1)Cl)c2ccccc2 4a_100000183659_100000185851 [0,1,0,0,0,0|3,0,0]=4 81 B20R2.4653 CC(=NNC(=O)c1cccc(c1)F)c2ccccc2 4a_100000189798_100000185851 [0,1,0,0,0,0|3,0,0]=4 82 B20R2.4653 CC(=NNC(=O)c1cccc(c1)I)c2ccccc2 4a_100000186306_100000185851 [0,1,0,0,0,0|3,0,0]=4 83 B20R2.4653 CC(=NNC(=O)c1ccccc1)c2cccc(c2)Br 4a_100000184135_100000210093 [0,1,0,0,0,0|3,0,0]=4 84 B20R2.4653 CC(=NNC(=O)c1ccccc1)c2cccc(c2)C 4a_100000184135_100000211476 [0,1,0,0,0,0|3,0,0]=4 85 B20R2.4653 CC(=NNC(=O)c1ccccc1)c2cccc(c2)Cl 4a_100000184135_200000210964 [0,1,0,0,0,0|3,0,0]=4 86 B20R2.4653 CC(=NNC(=O)c1ccccc1)c2cccc(c2)F 4a_100000184135_100000187083 [0,1,0,0,0,0|3,0,0]=4 87 B20R2.4653 CC(=NNC(=O)c1ccccc1)c2cccc(c2)I 4a_100000184135_100011356966 [0,1,0,0,0,0|3,0,0]=4 88 B20R2.4653 CC(=NNC(=O)c1ccccc1)c2cccc(c2)O 4a_100000184135_100000211620 [0,1,0,0,0,0|3,0,0]=4 89 B20R2.4653 CC(OCC(=O)c1cccc(c1)Cl)c2ccccc2 7a_200011592804_100000230085 [0,1,0,0,0,0|2,0,1]=4 90 B20R2.4653 CC(OCC(=O)c1cccc(c1)F)c2ccccc2 34a_100011592800_100000211855 [0,1,0,0,0,0|2,0,1]=4 91 B20R2.4653 CC(OCC(=O)c1cccc(c1)F)c2ccccc2 7a_100011592800_100000230085 [0,1,0,0,0,0|2,0,1]=4 92 B20R2.4653 CC(OCC(=O)c1ccccc1)c2cccc(c2)Br 7a_100000246457_100000211460 [0,1,0,0,0,0|2,0,1]=4 93 B20R2.4653 CC(OCC(=O)c1ccccc1)c2cccc(c2)F 7a_100000744526_100000211460 [0,1,0,0,0,0|2,0,1]=4 94 B20R2.4653 CC(OCC(=O)c1ccccc1)c2cccc(c2)I 7a_100013085317_100000211460 [0,1,0,0,0,0|2,0,1]=4 95 B20R2.4653 CC(OCC(=O)c1ccccc1)c2cccc(c2)N 7a_100011217120_100000211460 [0,1,0,0,0,0|2,0,1]=4 96 B20R2.4653 CN(COC(=O)c1ccccc1)c2cccc(c2)Br 269982a_100000219648_100000073877 [0,1,0,0,0,0|3,0,0]=4 97 B20R2.4653 CN(COC(=O)c1ccccc1)c2cccc(c2)Cl 269982a_100000220044_100000073877 [0,1,0,0,0,0|3,0,0]=4 98 B20R2.4653 CN(COC(=O)c1ccccc1)c2cccc(c2)F 269982a_100020633736_100000073877 [0,1,0,0,0,0|3,0,0]=4 99 B20R2.4653 CN(COC(=O)c1ccccc1)c2cccc(c2)I 269982a_100000221217_100000073877 [0,1,0,0,0,0|3,0,0]=4 100 B20R2.4653 CN(COC(=O)c1ccccc1)c2cccc(c2)O 269982a_100000756613_100000073877 [0,1,0,0,0,0|3,0,0]=4 101 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)Br)c2ccccc2 34a_100000761318_100000212080 [0,1,0,0,0,0|2,0,1]=4 102 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)Br)c2ccccc2 7a_100000761318_100000212080 [0,1,0,0,0,0|2,0,1]=4 103 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)Cl)c2ccccc2 34a_100000761318_100000211444 [0,1,0,0,0,0|2,0,1]=4 104 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)Cl)c2ccccc2 7a_100000761318_100000211444 [0,1,0,0,0,0|2,0,1]=4 105 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)F)c2ccccc2 34a_100000761318_100000215616 [0,1,0,0,0,0|2,0,1]=4 106 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)O)c2ccccc2 34a_100000761318_100009813753 [0,1,0,0,0,0|2,0,1]=4 107 B20R2.4653 C[C@@H](OCC(=O)c1cccc(c1)O)c2ccccc2 7a_100000761318_100009813753 [0,1,0,0,0,0|2,0,1]=4 108 B20R2.4653 C[C@@H](OCC(=O)c1ccccc1)c2cccc(c2)Cl 7a_100000747380_100000211460 [0,1,0,0,0,0|2,0,1]=4 109 B20R2.4653 Cc1cccc(c1)C(=O)CCC(=O)c2ccccc2 1458a_100000189346_100000750707 [0,1,0,0,0,0|2,0,0]=3 110 B20R2.4653 Cc1cccc(c1)C(=O)COC(=O)c2ccccc2 1458a_100000189346_100000073877 [0,1,0,0,0,0|1,0,0]=2 111 B20R2.4653 Cc1cccc(c1)C(=O)CO[C@H](C)c2ccccc2 34a_100000761318_100000739480 [0,1,0,0,0,0|2,0,1]=4 112 B20R2.4653 Cc1cccc(c1)C(=O)CO[C@H](C)c2ccccc2 7a_100000761318_100000739480 [0,1,0,0,0,0|2,0,1]=4 113 B20R2.4653 Cc1cccc(c1)C(=O)NNC(=O)c2ccccc2 22a_100000184135_100000189346 [0,1,0,0,0,0|2,0,0]=3 114 B20R2.4653 Cc1cccc(c1)C(=O)NNC(=O)c2ccccc2 22a_100000189845_100000185807 [0,1,0,0,0,0|2,0,0]=3 115 B20R2.4653 Cc1cccc(c1)C(=O)NNC(=O)c2ccccn2 22a_100000184044_100000189346 [0,1,0,0,0,0|3,0,0]=4 116 B20R2.4653 Cc1cccc(c1)C(=O)NNC(=O)c2cccnc2 22a_100000189771_100000189346 [0,1,0,0,0,0|3,0,0]=4 117 B20R2.4653 Cc1cccc(c1)C(=O)NNC(=O)c2ccncc2 22a_100000189768_100000189346 [0,1,0,0,0,0|3,0,0]=4 118 B20R2.4653 Cc1cccc(c1)C(C)OCC(=O)c2ccccc2 7a_100000757818_100000211460 [0,1,0,0,0,0|2,0,1]=4 119 B20R2.4653 Cc1cccc(c1)N(C)COC(=O)c2ccccc2 269982a_100000219674_100000073877 [0,1,0,0,0,0|3,0,0]=4 120 B20R2.4653 Cc1cccc(n1)C(=O)NNC(=O)c2ccccc2 22a_100000724394_100000185807 [0,1,0,0,0,0|3,0,0]=4 121 B20R2.4653 O=C(CCC(=O)c1cccc(c1)Br)c2ccccc2 1458a_100000210664_100000750707 [0,1,0,0,0,0|2,0,0]=3 122 B20R2.4653 O=C(CCC(=O)c1cccc(c1)Cl)c2ccccc2 1458a_100000210390_100000750707 [0,1,0,0,0,0|2,0,0]=3 123 B20R2.4653 O=C(CCC(=O)c1cccc(c1)F)c2ccccc2 1458a_100000210950_100000750707 [0,1,0,0,0,0|2,0,0]=3 124 B20R2.4653 O=C(CCC(=O)c1cccc(c1)I)c2ccccc2 1458a_100000184098_100000750707 [0,1,0,0,0,0|2,0,0]=3 125 B20R2.4653 O=C(CCC(=O)c1cccc(c1)O)c2ccccc2 1458a_100000183914_100000750707 [0,1,0,0,0,0|2,0,0]=3 126 B20R2.4653 O=C(COC(=O)c1ccccc1)c2cccc(c2)Br 1458a_100000210664_100000073877 [0,1,0,0,0,0|1,0,0]=2 127 B20R2.4653 O=C(COC(=O)c1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100000073877 [0,1,0,0,0,0|1,0,0]=2 128 B20R2.4653 O=C(COC(=O)c1ccccc1)c2cccc(c2)F 1458a_100000210950_100000073877 [0,1,0,0,0,0|1,0,0]=2 129 B20R2.4653 O=C(COC(=O)c1ccccc1)c2cccc(c2)I 1458a_100000184098_100000073877 [0,1,0,0,0,0|1,0,0]=2 130 B20R2.4653 O=C(COC(=O)c1ccccc1)c2cccc(c2)O 1458a_100000183914_100000073877 [0,1,0,0,0,0|1,0,0]=2 131 B20R2.4653 O=C(NNC(=O)c1cc(ccn1)Br)c2ccccc2 22a_100010175343_100000185807 [0,1,0,0,0,0|3,0,0]=4 132 B20R2.4653 O=C(NNC(=O)c1cc(ccn1)Cl)c2ccccc2 22a_100000017052_100000185807 [0,1,0,0,0,0|3,0,0]=4 133 B20R2.4653 O=C(NNC(=O)c1cccc(=O)[nH]1)c2ccccc2 22a_200013023864_100000185807 [0,1,0,0,0,0|3,0,0]=4 134 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Br)c2ccccc2 22a_100000184135_100000210664 [0,1,0,0,0,0|2,0,0]=3 135 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Br)c2ccccc2 22a_100000189783_100000185807 [0,1,0,0,0,0|2,0,0]=3 136 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Br)c2cccnc2 22a_100000189771_100000210664 [0,1,0,0,0,0|3,0,0]=4 137 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Br)c2ccncc2 22a_100000189768_100000210664 [0,1,0,0,0,0|3,0,0]=4 138 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Cl)c2ccccc2 22a_100000183659_100000185807 [0,1,0,0,0,0|2,0,0]=3 139 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Cl)c2ccccc2 22a_100000184135_100000210390 [0,1,0,0,0,0|2,0,0]=3 140 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Cl)c2cccnc2 22a_100000189771_100000210390 [0,1,0,0,0,0|3,0,0]=4 141 B20R2.4653 O=C(NNC(=O)c1cccc(c1)Cl)c2ccncc2 22a_100000189768_100000210390 [0,1,0,0,0,0|3,0,0]=4 142 B20R2.4653 O=C(NNC(=O)c1cccc(c1)F)c2ccccc2 22a_100000184135_100000210950 [0,1,0,0,0,0|2,0,0]=3 143 B20R2.4653 O=C(NNC(=O)c1cccc(c1)F)c2ccccc2 22a_100000189798_100000185807 [0,1,0,0,0,0|2,0,0]=3 144 B20R2.4653 O=C(NNC(=O)c1cccc(c1)F)c2cccnc2 22a_100000189771_100000210950 [0,1,0,0,0,0|3,0,0]=4 145 B20R2.4653 O=C(NNC(=O)c1cccc(c1)F)c2ccncc2 22a_100000189768_100000210950 [0,1,0,0,0,0|3,0,0]=4 146 B20R2.4653 O=C(NNC(=O)c1cccc(c1)I)c2ccccc2 22a_100000184135_100000184098 [0,1,0,0,0,0|2,0,0]=3 147 B20R2.4653 O=C(NNC(=O)c1cccc(c1)I)c2ccccc2 22a_100000186306_100000185807 [0,1,0,0,0,0|2,0,0]=3 148 B20R2.4653 O=C(NNC(=O)c1cccc(c1)I)c2cccnc2 22a_100000189771_100000184098 [0,1,0,0,0,0|3,0,0]=4 149 B20R2.4653 O=C(NNC(=O)c1cccc(c1)I)c2ccncc2 22a_100000189768_100000184098 [0,1,0,0,0,0|3,0,0]=4 150 B20R2.4653 O=C(NNC(=O)c1cccc(c1)O)c2ccccc2 22a_100000184135_100000183914 [0,1,0,0,0,0|2,0,0]=3 151 B20R2.4653 O=C(NNC(=O)c1cccc(c1)O)c2cccnc2 22a_100000189771_100000183914 [0,1,0,0,0,0|3,0,0]=4 152 B20R2.4653 O=C(NNC(=O)c1cccc(c1)O)c2ccncc2 22a_100000189768_100000183914 [0,1,0,0,0,0|3,0,0]=4 153 B20R2.4653 O=C(NNC(=O)c1cccc(n1)Cl)c2ccccc2 22a_100011631096_100000185807 [0,1,0,0,0,0|3,0,0]=4 154 B20R2.4653 O=C(NNC(=O)c1cccc(n1)F)c2ccccc2 22a_100025773536_100000185807 [0,1,0,0,0,0|3,0,0]=4 155 B20R2.4653 O=C(NNC(=O)c1ccccn1)c2cccc(c2)Br 22a_100000184044_100000210664 [0,1,0,0,0,0|3,0,0]=4 156 B20R2.4653 O=C(NNC(=O)c1ccccn1)c2cccc(c2)Cl 22a_100000184044_100000210390 [0,1,0,0,0,0|3,0,0]=4 157 B20R2.4653 O=C(NNC(=O)c1ccccn1)c2cccc(c2)F 22a_100000184044_100000210950 [0,1,0,0,0,0|3,0,0]=4 158 B20R2.4653 O=C(NNC(=O)c1ccccn1)c2cccc(c2)I 22a_100000184044_100000184098 [0,1,0,0,0,0|3,0,0]=4 159 B20R2.4653 O=C(NNC(=O)c1ccccn1)c2cccc(c2)O 22a_100000184044_100000183914 [0,1,0,0,0,0|3,0,0]=4 160 B20R2.4653 O=C(NNC(=O)c1ccnc(c1)Br)c2ccccc2 22a_100010138526_100000185807 [0,1,0,0,0,0|3,0,0]=4 161 B20R2.4653 O=C(NNC(=O)c1ccnc(c1)Cl)c2ccccc2 22a_100000021280_100000185807 [0,1,0,0,0,0|3,0,0]=4 162 B20R2.4653 O=C(NNC(=O)c1cncc(c1)Br)c2ccccc2 22a_100000189809_100000185807 [0,1,0,0,0,0|3,0,0]=4 163 B20R2.4789 CC(=NNC(=O)c1ccccc1)c2ccccc2Br 4a_100000184135_100000187085 [0,1,0,0,0,0|3,0,0]=4 164 B20R2.4789 CC(=NNC(=O)c1ccccc1)c2ccccc2C 4a_100000184135_100000211656 [0,1,0,0,0,0|3,0,0]=4 165 B20R2.4789 CC(=NNC(=O)c1ccccc1)c2ccccc2Cl 4a_100000184135_100000210134 [0,1,0,0,0,0|3,0,0]=4 166 B20R2.4789 CC(=NNC(=O)c1ccccc1)c2ccccc2F 4a_100000184135_100000210632 [0,1,0,0,0,0|3,0,0]=4 167 B20R2.4789 CC(=NNC(=O)c1ccccc1)c2ccccc2I 4a_100000184135_100000751169 [0,1,0,0,0,0|3,0,0]=4 168 B20R2.4789 CC(=NNC(=O)c1ccccc1)c2ccccc2O 4a_100000184135_100000188907 [0,1,0,0,0,0|3,0,0]=4 169 B20R2.4789 CC(=NNC(=O)c1ccccc1Br)c2ccccc2 4a_100000183644_100000185851 [0,1,0,0,0,0|3,0,0]=4 170 B20R2.4789 CC(=NNC(=O)c1ccccc1C)c2ccccc2 4a_100000181371_100000185851 [0,1,0,0,0,0|3,0,0]=4 171 B20R2.4789 CC(=NNC(=O)c1ccccc1Cl)c2ccccc2 4a_100000186534_100000185851 [0,1,0,0,0,0|3,0,0]=4 172 B20R2.4789 CC(=NNC(=O)c1ccccc1F)c2ccccc2 4a_100000183521_100000185851 [0,1,0,0,0,0|3,0,0]=4 173 B20R2.4789 CC(=NNC(=O)c1ccccc1I)c2ccccc2 4a_100000190081_100000185851 [0,1,0,0,0,0|3,0,0]=4 174 B20R2.4789 CC(OCC(=O)c1ccccc1)c2ccccc2Br 7a_100000702211_100000211460 [0,1,0,0,0,0|2,0,1]=4 175 B20R2.4789 CC(OCC(=O)c1ccccc1)c2ccccc2Cl 7a_100000740796_100000211460 [0,1,0,0,0,0|2,0,1]=4 176 B20R2.4789 CC(OCC(=O)c1ccccc1)c2ccccc2F 7a_100000697922_100000211460 [0,1,0,0,0,0|2,0,1]=4 177 B20R2.4789 CC(OCC(=O)c1ccccc1)c2ccccc2N 7a_100011405641_100000211460 [0,1,0,0,0,0|2,0,1]=4 178 B20R2.4789 CN(COC(=O)c1ccccc1)c2ccccc2Br 269982a_100020606079_100000073877 [0,1,0,0,0,0|3,0,0]=4 179 B20R2.4789 CN(COC(=O)c1ccccc1)c2ccccc2Cl 269982a_100000219374_100000073877 [0,1,0,0,0,0|3,0,0]=4 180 B20R2.4789 CN(COC(=O)c1ccccc1)c2ccccc2F 269982a_100000220357_100000073877 [0,1,0,0,0,0|3,0,0]=4 181 B20R2.4789 CN(COC(=O)c1ccccc1)c2ccccc2F 38a_100000220357_200011000972 [0,1,0,0,0,0|3,0,0]=4 182 B20R2.4789 CN(COC(=O)c1ccccc1)c2ccccc2O 269982a_100000033821_100000073877 [0,1,0,0,0,0|3,0,0]=4 183 B20R2.4789 C[C@@H](OCC(=O)c1ccccc1Br)c2ccccc2 34a_100000761318_100000199116 [0,1,0,0,0,0|2,0,1]=4 184 B20R2.4789 C[C@@H](OCC(=O)c1ccccc1Cl)c2ccccc2 34a_100000761318_100000211432 [0,1,0,0,0,0|2,0,1]=4 185 B20R2.4789 C[C@@H](OCC(=O)c1ccccc1F)c2ccccc2 34a_100000761318_100000204681 [0,1,0,0,0,0|2,0,1]=4 186 B20R2.4789 C[C@@H](OCC(=O)c1ccccc1F)c2ccccc2 7a_100000761318_100000204681 [0,1,0,0,0,0|2,0,1]=4 187 B20R2.4789 C[C@@H](OCC(=O)c1ccccc1O)c2ccccc2 7a_100000761318_100000188908 [0,1,0,0,0,0|2,0,1]=4 188 B20R2.4789 Cc1ccccc1C(=O)CCC(=O)c2ccccc2 1458a_100000212026_100000750707 [0,1,0,0,0,0|2,0,0]=3 189 B20R2.4789 Cc1ccccc1C(=O)COC(=O)c2ccccc2 1458a_100000212026_100000073877 [0,1,0,0,0,0|1,0,0]=2 190 B20R2.4789 Cc1ccccc1C(=O)CO[C@H](C)c2ccccc2 34a_100000761318_100000741374 [0,1,0,0,0,0|2,0,1]=4 191 B20R2.4789 Cc1ccccc1C(=O)CO[C@H](C)c2ccccc2 7a_100000761318_100000741374 [0,1,0,0,0,0|2,0,1]=4 192 B20R2.4789 Cc1ccccc1C(=O)NNC(=O)c2ccccc2 22a_100000181371_100000185807 [0,1,0,0,0,0|2,0,0]=3 193 B20R2.4789 Cc1ccccc1C(=O)NNC(=O)c2ccccc2 22a_100000184135_100000212026 [0,1,0,0,0,0|2,0,0]=3 194 B20R2.4789 Cc1ccccc1C(=O)NNC(=O)c2ccccn2 22a_100000184044_100000212026 [0,1,0,0,0,0|3,0,0]=4 195 B20R2.4789 Cc1ccccc1C(=O)NNC(=O)c2cccnc2 22a_100000189771_100000212026 [0,1,0,0,0,0|3,0,0]=4 196 B20R2.4789 Cc1ccccc1C(=O)NNC(=O)c2ccncc2 22a_100000189768_100000212026 [0,1,0,0,0,0|3,0,0]=4 197 B20R2.4789 Cc1ccccc1C(C)OCC(=O)c2ccccc2 7a_100000742021_100000211460 [0,1,0,0,0,0|2,0,1]=4 198 B20R2.4789 Cc1ccccc1N(C)COC(=O)c2ccccc2 269982a_100000219699_100000073877 [0,1,0,0,0,0|3,0,0]=4 199 B20R2.4789 Cc1cnccc1C(=O)NNC(=O)c2ccccc2 22a_100011996471_100000185807 [0,1,0,0,0,0|3,0,0]=4 200 B20R2.4789 Cc1ncccc1C(=O)NNC(=O)c2ccccc2 22a_100012021714_100000185807 [0,1,0,0,0,0|3,0,0]=4 201 B20R2.4789 O=C(CCC(=O)c1ccccc1Br)c2ccccc2 1458a_100000188424_100000750707 [0,1,0,0,0,0|2,0,0]=3 202 B20R2.4789 O=C(CCC(=O)c1ccccc1Cl)c2ccccc2 1458a_100000185844_100000750707 [0,1,0,0,0,0|2,0,0]=3 203 B20R2.4789 O=C(CCC(=O)c1ccccc1F)c2ccccc2 1458a_100000185807_100000086012 [0,1,0,0,0,0|2,0,0]=3 204 B20R2.4789 O=C(CCC(=O)c1ccccc1F)c2ccccc2 1458a_100000188656_100000750707 [0,1,0,0,0,0|2,0,0]=3 205 B20R2.4789 O=C(CCC(=O)c1ccccc1I)c2ccccc2 1458a_100000187884_100000750707 [0,1,0,0,0,0|2,0,0]=3 206 B20R2.4789 O=C(CCC(=O)c1ccccc1O)c2ccccc2 1458a_100015234032_100000750707 [0,1,0,0,0,0|2,0,0]=3 207 B20R2.4789 O=C(CCC(=O)c1ccccc1[O-])c2ccccc2 1458a_100009911694_100000750707 [0,1,0,0,0,0|2,0,0]=3 208 B20R2.4789 O=C(NNC(=O)c1ccccc1Br)c2ccccc2 22a_100000183644_100000185807 [0,1,0,0,0,0|2,0,0]=3 209 B20R2.4789 O=C(NNC(=O)c1ccccc1Br)c2ccccc2 22a_100000184135_100000188424 [0,1,0,0,0,0|2,0,0]=3 210 B20R2.4789 O=C(NNC(=O)c1ccccc1Br)c2ccccn2 22a_100000184044_100000188424 [0,1,0,0,0,0|3,0,0]=4 211 B20R2.4789 O=C(NNC(=O)c1ccccc1Br)c2cccnc2 22a_100000189771_100000188424 [0,1,0,0,0,0|3,0,0]=4 212 B20R2.4789 O=C(NNC(=O)c1ccccc1Br)c2ccncc2 22a_100000189768_100000188424 [0,1,0,0,0,0|3,0,0]=4 213 B20R2.4789 O=C(NNC(=O)c1ccccc1Cl)c2ccccc2 22a_100000184135_100000185844 [0,1,0,0,0,0|2,0,0]=3 214 B20R2.4789 O=C(NNC(=O)c1ccccc1Cl)c2ccccc2 22a_100000186534_100000185807 [0,1,0,0,0,0|2,0,0]=3 215 B20R2.4789 O=C(NNC(=O)c1ccccc1Cl)c2ccccn2 22a_100000184044_100000185844 [0,1,0,0,0,0|3,0,0]=4 216 B20R2.4789 O=C(NNC(=O)c1ccccc1Cl)c2cccnc2 22a_100000189771_100000185844 [0,1,0,0,0,0|3,0,0]=4 217 B20R2.4789 O=C(NNC(=O)c1ccccc1Cl)c2ccncc2 22a_100000189768_100000185844 [0,1,0,0,0,0|3,0,0]=4 218 B20R2.4789 O=C(NNC(=O)c1ccccc1F)c2ccccc2 22a_100000183521_100000185807 [0,1,0,0,0,0|2,0,0]=3 219 B20R2.4789 O=C(NNC(=O)c1ccccc1F)c2ccccc2 22a_100000184135_100000188656 [0,1,0,0,0,0|2,0,0]=3 220 B20R2.4789 O=C(NNC(=O)c1ccccc1F)c2ccccn2 22a_100000184044_100000188656 [0,1,0,0,0,0|3,0,0]=4 221 B20R2.4789 O=C(NNC(=O)c1ccccc1F)c2cccnc2 22a_100000189771_100000188656 [0,1,0,0,0,0|3,0,0]=4 222 B20R2.4789 O=C(NNC(=O)c1ccccc1F)c2ccncc2 22a_100000189768_100000188656 [0,1,0,0,0,0|3,0,0]=4 223 B20R2.4789 O=C(NNC(=O)c1ccccc1I)c2ccccc2 22a_100000184135_100000187884 [0,1,0,0,0,0|2,0,0]=3 224 B20R2.4789 O=C(NNC(=O)c1ccccc1I)c2ccccc2 22a_100000190081_100000185807 [0,1,0,0,0,0|2,0,0]=3 225 B20R2.4789 O=C(NNC(=O)c1ccccc1I)c2ccccn2 22a_100000184044_100000187884 [0,1,0,0,0,0|3,0,0]=4 226 B20R2.4789 O=C(NNC(=O)c1ccccc1I)c2cccnc2 22a_100000189771_100000187884 [0,1,0,0,0,0|3,0,0]=4 227 B20R2.4789 O=C(NNC(=O)c1ccccc1I)c2ccncc2 22a_100000189768_100000187884 [0,1,0,0,0,0|3,0,0]=4 228 B20R2.4789 O=C(NNC(=O)c1ccccc1O)c2ccccc2 22a_100000184135_100015234032 [0,1,0,0,0,0|2,0,0]=3 229 B20R2.4789 O=C(NNC(=O)c1ccccc1O)c2ccccn2 22a_100000184044_100015234032 [0,1,0,0,0,0|3,0,0]=4 230 B20R2.4789 O=C(NNC(=O)c1ccccc1O)c2cccnc2 22a_100000189771_100015234032 [0,1,0,0,0,0|3,0,0]=4 231 B20R2.4789 O=C(NNC(=O)c1ccccc1O)c2ccncc2 22a_100000189768_100015234032 [0,1,0,0,0,0|3,0,0]=4 232 B20R2.4789 O=C(NNC(=O)c1ccccc1[O-])c2ccccc2 22a_100000184135_100009911694 [0,1,0,0,0,0|2,0,0]=3 233 B20R2.4789 O=C(NNC(=O)c1ccccc1[O-])c2ccccn2 22a_100000184044_100009911694 [0,1,0,0,0,0|3,0,0]=4 234 B20R2.4789 O=C(NNC(=O)c1ccccc1[O-])c2cccnc2 22a_100000189771_100009911694 [0,1,0,0,0,0|3,0,0]=4 235 B20R2.4789 O=C(NNC(=O)c1ccccc1[O-])c2ccncc2 22a_100000189768_100009911694 [0,1,0,0,0,0|3,0,0]=4 236 B20R2.4789 O=C(NNC(=O)c1ccncc1F)c2ccccc2 22a_100000702518_100000185807 [0,1,0,0,0,0|3,0,0]=4 237 B20R2.4789 O=C(OCC(=O)c1ccccc1Br)c2ccccc2 1458a_100000188424_100000073877 [0,1,0,0,0,0|1,0,0]=2 238 B20R2.4789 O=C(OCC(=O)c1ccccc1Cl)c2ccccc2 1458a_100000185844_100000073877 [0,1,0,0,0,0|1,0,0]=2 239 B20R2.4789 O=C(OCC(=O)c1ccccc1F)c2ccccc2 1458a_100000188656_100000073877 [0,1,0,0,0,0|1,0,0]=2 240 B20R2.4789 O=C(OCC(=O)c1ccccc1I)c2ccccc2 1458a_100000187884_100000073877 [0,1,0,0,0,0|1,0,0]=2 241 B20R2.4789 O=C(OCC(=O)c1ccccc1O)c2ccccc2 1458a_100015234032_100000073877 [0,1,0,0,0,0|1,0,0]=2 242 B20R2.4789 O=C(OCC(=O)c1ccccc1[O-])c2ccccc2 1458a_100009911694_100000073877 [0,1,0,0,0,0|1,0,0]=2 243 B20R2.10843 CC(C)(OCC(=O)c1ccccc1)c2ccccc2 7a_100000694644_100000211460 [0,1,0,0,0,0|2,0,1]=4 244 B20R2.10843 O=C(CCS(=O)(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000229977 [0,1,0,0,0,0|3,0,0]=4 245 B20R2.10843 O=C(NNS(=O)(=O)c1ccccc1)c2ccccc2 20a_100000184135_100000210345 [0,1,0,0,0,0|3,0,0]=4 246 B20R2.10843 O=C(NNS(=O)(=O)c1ccccc1)c2ccccc2 40a_100000184135_100000032697 [0,1,0,0,0,0|3,0,0]=4 247 B20R2.15243 CC(=NNC(=O)c1ccc(cc1)Br)c2ccccc2 4a_100000183614_100000185851 [0,1,0,0,0,0|3,0,0]=4 248 B20R2.15243 CC(=NNC(=O)c1ccc(cc1)C)c2ccccc2 4a_100000189790_100000185851 [0,1,0,0,0,0|3,0,0]=4 249 B20R2.15243 CC(=NNC(=O)c1ccc(cc1)Cl)c2ccccc2 4a_100000184390_100000185851 [0,1,0,0,0,0|3,0,0]=4 250 B20R2.15243 CC(=NNC(=O)c1ccc(cc1)F)c2ccccc2 4a_100000182866_100000185851 [0,1,0,0,0,0|3,0,0]=4 251 B20R2.15243 CC(=NNC(=O)c1ccc(cc1)I)c2ccccc2 4a_100000189773_100000185851 [0,1,0,0,0,0|3,0,0]=4 252 B20R2.15243 CC(=NNC(=O)c1ccccc1)c2ccc(cc2)Br 4a_100000184135_100000185794 [0,1,0,0,0,0|3,0,0]=4 253 B20R2.15243 CC(=NNC(=O)c1ccccc1)c2ccc(cc2)C 4a_100000184135_100000185793 [0,1,0,0,0,0|3,0,0]=4 254 B20R2.15243 CC(=NNC(=O)c1ccccc1)c2ccc(cc2)Cl 4a_100000184135_100000185797 [0,1,0,0,0,0|3,0,0]=4 255 B20R2.15243 CC(=NNC(=O)c1ccccc1)c2ccc(cc2)F 4a_100000184135_100000185800 [0,1,0,0,0,0|3,0,0]=4 256 B20R2.15243 CC(=NNC(=O)c1ccccc1)c2ccc(cc2)I 4a_100000184135_100000185465 [0,1,0,0,0,0|3,0,0]=4 257 B20R2.15243 CC(=NNC(=O)c1ccccc1)c2ccc(cc2)O 4a_100000184135_100000185113 [0,1,0,0,0,0|3,0,0]=4 258 B20R2.15243 CC(OCC(=O)c1ccc(cc1)F)c2ccccc2 34a_100000246311_100000211855 [0,1,0,0,0,0|2,0,1]=4 259 B20R2.15243 CC(OCC(=O)c1ccccc1)c2ccc(cc2)Br 7a_100000745893_100000211460 [0,1,0,0,0,0|2,0,1]=4 260 B20R2.15243 CC(OCC(=O)c1ccccc1)c2ccc(cc2)F 7a_100000181323_100000211460 [0,1,0,0,0,0|2,0,1]=4 261 B20R2.15243 CN(COC(=O)c1ccccc1)c2ccc(cc2)Br 269982a_100000219623_100000073877 [0,1,0,0,0,0|3,0,0]=4 262 B20R2.15243 CN(COC(=O)c1ccccc1)c2ccc(cc2)Cl 269982a_100020629279_100000073877 [0,1,0,0,0,0|3,0,0]=4 263 B20R2.15243 CN(COC(=O)c1ccccc1)c2ccc(cc2)F 269982a_100000219829_100000073877 [0,1,0,0,0,0|3,0,0]=4 264 B20R2.15243 CN(COC(=O)c1ccccc1)c2ccc(cc2)I 269982a_100000743151_100000073877 [0,1,0,0,0,0|3,0,0]=4 265 B20R2.15243 CN(COC(=O)c1ccccc1)c2ccc(cc2)O 269982a_100000182112_100000073877 [0,1,0,0,0,0|3,0,0]=4 266 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)Br)c2ccccc2 34a_100000761318_100000188085 [0,1,0,0,0,0|2,0,1]=4 267 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)Br)c2ccccc2 7a_100000761318_100000188085 [0,1,0,0,0,0|2,0,1]=4 268 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)Cl)c2ccccc2 7a_100000761318_100000211071 [0,1,0,0,0,0|2,0,1]=4 269 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)F)c2ccccc2 7a_100000761318_100000211279 [0,1,0,0,0,0|2,0,1]=4 270 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)I)c2ccccc2 34a_100000761318_100011216261 [0,1,0,0,0,0|2,0,1]=4 271 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)I)c2ccccc2 7a_100000761318_100011216261 [0,1,0,0,0,0|2,0,1]=4 272 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)O)c2ccccc2 34a_100000761318_100009814261 [0,1,0,0,0,0|2,0,1]=4 273 B20R2.15243 C[C@@H](OCC(=O)c1ccc(cc1)O)c2ccccc2 7a_100000761318_100000018856 [0,1,0,0,0,0|2,0,1]=4 274 B20R2.15243 C[C@H](OCC(=O)c1ccccc1)c2ccc(cc2)Cl 7a_100011852131_100000211460 [0,1,0,0,0,0|2,0,1]=4 275 B20R2.15243 Cc1ccc(cc1)C(=O)CCC(=O)c2ccccc2 1458a_100000185807_100000701375 [0,1,0,0,0,0|2,0,0]=3 276 B20R2.15243 Cc1ccc(cc1)C(=O)CCC(=O)c2ccccc2 1458a_100000188618_100000750707 [0,1,0,0,0,0|2,0,0]=3 277 B20R2.15243 Cc1ccc(cc1)C(=O)COC(=O)c2ccccc2 1458a_100000188618_100000073877 [0,1,0,0,0,0|1,0,0]=2 278 B20R2.15243 Cc1ccc(cc1)C(=O)CO[C@H](C)c2ccccc2 34a_100000761318_100000211441 [0,1,0,0,0,0|2,0,1]=4 279 B20R2.15243 Cc1ccc(cc1)C(=O)CO[C@H](C)c2ccccc2 7a_100000761318_100000211441 [0,1,0,0,0,0|2,0,1]=4 280 B20R2.15243 Cc1ccc(cc1)C(=O)NNC(=O)c2ccccc2 22a_100000184135_100000188618 [0,1,0,0,0,0|2,0,0]=3 281 B20R2.15243 Cc1ccc(cc1)C(=O)NNC(=O)c2ccccc2 22a_100000189790_100000185807 [0,1,0,0,0,0|2,0,0]=3 282 B20R2.15243 Cc1ccc(cc1)C(=O)NNC(=O)c2ccccn2 22a_100000184044_100000188618 [0,1,0,0,0,0|3,0,0]=4 283 B20R2.15243 Cc1ccc(cc1)C(=O)NNC(=O)c2cccnc2 22a_100000189771_100000188618 [0,1,0,0,0,0|3,0,0]=4 284 B20R2.15243 Cc1ccc(cc1)C(=O)NNC(=O)c2ccncc2 22a_100000189768_100000188618 [0,1,0,0,0,0|3,0,0]=4 285 B20R2.15243 Cc1ccc(cc1)N(C)COC(=O)c2ccccc2 269982a_100000219977_100000073877 [0,1,0,0,0,0|3,0,0]=4 286 B20R2.15243 Cc1ccc(cc1)[C@@H](C)OCC(=O)c2ccccc2 7a_100000690690_100000211460 [0,1,0,0,0,0|2,0,1]=4 287 B20R2.15243 Cc1ccc(cn1)C(=O)NNC(=O)c2ccccc2 22a_100011193134_100000185807 [0,1,0,0,0,0|3,0,0]=4 288 B20R2.15243 O=C(CCC(=O)c1ccc(cc1)Br)c2ccccc2 1458a_100000185839_100000750707 [0,1,0,0,0,0|2,0,0]=3 289 B20R2.15243 O=C(CCC(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000210187_100000750707 [0,1,0,0,0,0|2,0,0]=3 290 B20R2.15243 O=C(CCC(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000185807_100000211231 [0,1,0,0,0,0|2,0,0]=3 291 B20R2.15243 O=C(CCC(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000187176_100000750707 [0,1,0,0,0,0|2,0,0]=3 292 B20R2.15243 O=C(CCC(=O)c1ccc(cc1)I)c2ccccc2 1458a_100000187904_100000750707 [0,1,0,0,0,0|2,0,0]=3 293 B20R2.15243 O=C(CCC(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000212099_100000750707 [0,1,0,0,0,0|2,0,0]=3 294 B20R2.15243 O=C(COC(=O)c1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100000073877 [0,1,0,0,0,0|1,0,0]=2 295 B20R2.15243 O=C(COC(=O)c1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100000073877 [0,1,0,0,0,0|1,0,0]=2 296 B20R2.15243 O=C(COC(=O)c1ccccc1)c2ccc(cc2)F 1458a_100000187176_100000073877 [0,1,0,0,0,0|1,0,0]=2 297 B20R2.15243 O=C(COC(=O)c1ccccc1)c2ccc(cc2)I 1458a_100000187904_100000073877 [0,1,0,0,0,0|1,0,0]=2 298 B20R2.15243 O=C(COC(=O)c1ccccc1)c2ccc(cc2)O 1458a_100000212099_100000073877 [0,1,0,0,0,0|1,0,0]=2 299 B20R2.15243 O=C(NNC(=O)c1ccc(=O)[nH]c1)c2ccccc2 22a_100000189851_100000185807 [0,1,0,0,0,0|3,0,0]=4 300 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)Br)c2ccccc2 22a_100000183614_100000185807 [0,1,0,0,0,0|2,0,0]=3 301 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)Br)c2ccccc2 22a_100000184135_100000185839 [0,1,0,0,0,0|2,0,0]=3 302 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)Br)c2ccncc2 22a_100000189768_100000185839 [0,1,0,0,0,0|3,0,0]=4 303 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)Cl)c2ccccc2 22a_100000184135_100000210187 [0,1,0,0,0,0|2,0,0]=3 304 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)Cl)c2ccccc2 22a_100000184390_100000185807 [0,1,0,0,0,0|2,0,0]=3 305 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)Cl)c2ccncc2 22a_100000189768_100000210187 [0,1,0,0,0,0|3,0,0]=4 306 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)F)c2ccccc2 22a_100000182866_100000185807 [0,1,0,0,0,0|2,0,0]=3 307 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)F)c2ccccc2 22a_100000184135_100000187176 [0,1,0,0,0,0|2,0,0]=3 308 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)F)c2ccncc2 22a_100000189768_100000187176 [0,1,0,0,0,0|3,0,0]=4 309 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)I)c2ccccc2 22a_100000184135_100000187904 [0,1,0,0,0,0|2,0,0]=3 310 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)I)c2ccccc2 22a_100000189773_100000185807 [0,1,0,0,0,0|2,0,0]=3 311 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)I)c2ccncc2 22a_100000189768_100000187904 [0,1,0,0,0,0|3,0,0]=4 312 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)O)c2ccccc2 22a_100000184135_100000212099 [0,1,0,0,0,0|2,0,0]=3 313 B20R2.15243 O=C(NNC(=O)c1ccc(cc1)O)c2ccncc2 22a_100000189768_100000212099 [0,1,0,0,0,0|3,0,0]=4 314 B20R2.15243 O=C(NNC(=O)c1ccc(cn1)Br)c2ccccc2 22a_100011781063_100000185807 [0,1,0,0,0,0|3,0,0]=4 315 B20R2.15243 O=C(NNC(=O)c1ccc(cn1)Cl)c2ccccc2 22a_100012017650_100000185807 [0,1,0,0,0,0|3,0,0]=4 316 B20R2.15243 O=C(NNC(=O)c1ccc(cn1)F)c2ccccc2 22a_100012021870_100000185807 [0,1,0,0,0,0|3,0,0]=4 317 B20R2.15243 O=C(NNC(=O)c1ccc(nc1)Cl)c2ccccc2 22a_100000189807_100000185807 [0,1,0,0,0,0|3,0,0]=4 318 B20R2.15243 O=C(NNC(=O)c1ccccn1)c2ccc(cc2)Br 22a_100000184044_100000185839 [0,1,0,0,0,0|3,0,0]=4 319 B20R2.15243 O=C(NNC(=O)c1ccccn1)c2ccc(cc2)Cl 22a_100000184044_100000210187 [0,1,0,0,0,0|3,0,0]=4 320 B20R2.15243 O=C(NNC(=O)c1ccccn1)c2ccc(cc2)F 22a_100000184044_100000187176 [0,1,0,0,0,0|3,0,0]=4 321 B20R2.15243 O=C(NNC(=O)c1ccccn1)c2ccc(cc2)I 22a_100000184044_100000187904 [0,1,0,0,0,0|3,0,0]=4 322 B20R2.15243 O=C(NNC(=O)c1ccccn1)c2ccc(cc2)O 22a_100000184044_100000212099 [0,1,0,0,0,0|3,0,0]=4 323 B20R2.15243 O=C(NNC(=O)c1cccnc1)c2ccc(cc2)Br 22a_100000189771_100000185839 [0,1,0,0,0,0|3,0,0]=4 324 B20R2.15243 O=C(NNC(=O)c1cccnc1)c2ccc(cc2)Cl 22a_100000189771_100000210187 [0,1,0,0,0,0|3,0,0]=4 325 B20R2.15243 O=C(NNC(=O)c1cccnc1)c2ccc(cc2)F 22a_100000189771_100000187176 [0,1,0,0,0,0|3,0,0]=4 326 B20R2.15243 O=C(NNC(=O)c1cccnc1)c2ccc(cc2)I 22a_100000189771_100000187904 [0,1,0,0,0,0|3,0,0]=4 327 B20R2.15243 O=C(NNC(=O)c1cccnc1)c2ccc(cc2)O 22a_100000189771_100000212099 [0,1,0,0,0,0|3,0,0]=4 328 B20R2.15243 [2H]C(OCC(=O)c1ccccc1)c2ccc(cc2)F 7a_217856618577_100000211460 [0,1,0,0,0,0|2,0,1]=4 329 B20R2.29394 C=C(C(=O)CC(=O)c1ccccc1)c2ccccc2 1458a_100000065200_100000211460 [0,1,0,0,0,0|3,0,0]=4 330 B20R2.29394 CC(O[C@H](C)c1ccccc1)C(=O)c2ccccc2 7a_100000761318_100000239700 [0,1,0,0,0,0|2,0,1]=4 331 B20R3.331937 O=C(NN=C1Cc2c1cccc2)c3ccccc3 4a_100000184135_100000051409 [0,0,0,1,0,0|3,0,0]=4 332 B20R3.3470519 CN(c1ccccc1)C2OC(=O)c3c2cccc3 2230a_100000210012_100009813457 [0,0,0,1,0,0|3,0,0]=4 333 B20R3.3470519 CN(c1ccccc1)C2OC(=O)c3c2cccc3 269982a_100000210012_100009813457 [0,0,0,1,0,0|3,0,0]=4 334 B20R3.3470519 O=C1CC(c2c1cccc2)C(=O)c3ccccc3 1458a_100000185807_100010208147 [0,0,0,1,0,0|2,0,0]=3 335 B18R2.3634 CC(CC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000756946 [0,0,0,0,1,0|2,0,1]=4 336 B18R2.3634 CN(CC(=O)c1ccccc1)c2ccccc2 269982a_100000210012_100000211460 [0,0,0,0,1,0|3,0,0]=4 337 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 11a_100000751104_100000185807 [0,0,0,0,1,0|2,0,1]=4 338 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 1626a_100000751104_100000185807 [0,0,0,0,1,0|2,0,1]=4 339 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 240690a_100000751104_100000185807 [0,0,0,0,1,0|2,0,1]=4 340 B18R2.3634 C[C@@H](NC(=O)c1ccccc1)c2ccccc2 527a_100000751104_100000185807 [0,0,0,0,1,0|2,0,1]=4 341 B18R2.3634 O=C(CC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000211460 [0,0,0,0,1,0|1,0,0]=2 342 B18R2.3634 O=C(CC(=O)c1ccccn1)c2ccccc2 1458a_100000185807_100000027445 [0,0,0,0,1,0|2,0,0]=3 343 B18R2.3634 O=C(CC(=O)c1cccnc1)c2ccccc2 1458a_100000185807_100015188593 [0,0,0,0,1,0|2,0,0]=3 344 B18R2.3634 O=C(CC(=O)c1ccncc1)c2ccccc2 1458a_100000185807_100000027454 [0,0,0,0,1,0|2,0,0]=3 345 B18R2.3634 O=C(CC(=O)c1ncccn1)c2ccccc2 1458a_100000185807_100020636365 [0,0,0,0,1,0|3,0,0]=4 346 B18R2.3634 O=C(CC(O)c1ccccc1)c2ccccc2 1458a_100000185807_100000185958 [0,0,0,0,1,0|1,0,2]=4 347 B18R2.3634 O=C(C[C@@H](O)c1ccccc1)c2ccccc2 1458a_100000185807_100011933945 [0,0,0,0,1,0|1,0,2]=4 348 B18R2.72597 O=C(CCC(=O)c1cccs1)c2ccccc2 1458a_100000185807_100011290775 [0,0,0,0,1,0|3,0,0]=4 349 B18R2.72597 O=C(NNC(=O)c1ccc[nH]1)c2ccccc2 22a_100000018271_100000185807 [0,0,0,0,1,0|3,0,0]=4 350 B18R2.72597 O=C(NNC(=O)c1ccco1)c2ccccc2 22a_100000185077_100000185807 [0,0,0,0,1,0|3,0,0]=4 351 B18R2.72597 O=C(NNC(=O)c1cccs1)c2ccccc2 22a_100000184746_100000185807 [0,0,0,0,1,0|3,0,0]=4 352 B18R2.72597 O=C(NNC(=O)c1ccoc1)c2ccccc2 22a_100000233958_100000185807 [0,0,0,0,1,0|3,0,0]=4 353 B18R2.72597 O=C(NNC(=O)c1ccsc1)c2ccccc2 22a_100000193922_100000185807 [0,0,0,0,1,0|3,0,0]=4 354 B20R2.10809 CC(=NNC(=O)Cc1ccccc1)c2ccccc2 4a_100000182964_100000185851 [0,0,0,0,0,1|3,0,0]=4 355 B20R2.10809 CC(Cc1ccccc1)OCC(=O)c2ccccc2 7a_100000748627_100000211460 [0,0,0,0,0,1|2,0,1]=4 356 B20R2.10809 CC(OCC(=O)Nc1ccccc1)c2ccccc2 34a_100000246334_100000211855 [0,0,0,0,0,1|2,0,1]=4 357 B20R2.10809 CN(COC(=O)c1ccccc1)Cc2ccccc2 269982a_100000186898_100000073877 [0,0,0,0,0,1|3,0,0]=4 358 B20R2.10809 C[C@@H](OCC(=O)Cc1ccccc1)c2ccccc2 7a_100000761318_100000233483 [0,0,0,0,0,1|2,0,1]=4 359 B20R2.10809 C[C@@H](OCC(=O)Nc1ccccc1)c2ccccc2 34a_100000761318_100000182850 [0,0,0,0,0,1|2,0,1]=4 360 B20R2.10809 C[C@@H](OCC(=O)Nc1ccccc1)c2ccccc2 7a_100000761318_100000182850 [0,0,0,0,0,1|2,0,1]=4 361 B20R2.10809 C[C@@H](OCC(=O)Oc1ccccc1)c2ccccc2 34a_100000761318_100009813826 [0,0,0,0,0,1|2,0,1]=4 362 B20R2.10809 C[C@@H](OCC(=O)Oc1ccccc1)c2ccccc2 7a_100000761318_100009813826 [0,0,0,0,0,1|2,0,1]=4 363 B20R2.10809 O=C(CCC(=O)c1ccccc1)C[n+]2ccccc2 1458a_200000086051_100000750707 [0,0,0,0,0,1|3,0,0]=4 364 B20R2.10809 O=C(CCC(=O)c1ccccc1)Cc2ccccn2 1458a_100000233486_100000750707 [0,0,0,0,0,1|3,0,0]=4 365 B20R2.10809 O=C(CCC(=O)c1ccccc1)Cc2cccnc2 1458a_100000737805_100000750707 [0,0,0,0,0,1|3,0,0]=4 366 B20R2.10809 O=C(CCC(=O)c1ccccc1)Nc2ccccc2 1458a_100000185807_100000242058 [0,0,0,0,0,1|2,0,0]=3 367 B20R2.10809 O=C(CCC(=O)c1ccccc1)Oc2ccccc2 1458a_100000185807_200000035796 [0,0,0,0,0,1|2,0,0]=3 368 B20R2.10809 O=C(CNC(=O)c1ccccc1)Cc2ccccc2 1458a_100000182045_100015291786 [0,0,0,0,0,1|2,0,0]=3 369 B20R2.10809 O=C(CNC(=O)c1ccccc1)Cc2ccccn2 1458a_100000182045_100000721315 [0,0,0,0,0,1|3,0,0]=4 370 B20R2.10809 O=C(CNC(=O)c1ccccc1)Cc2cccnc2 1458a_100000182045_100000733263 [0,0,0,0,0,1|3,0,0]=4 371 B20R2.10809 O=C(CNC(=O)c1ccccc1)Cc2ccncc2 1458a_100000182045_100000705612 [0,0,0,0,0,1|3,0,0]=4 372 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 11a_100000106764_100000182045 [0,0,0,0,0,1|2,0,0]=3 373 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 11a_100000742222_100000185807 [0,0,0,0,0,1|2,0,0]=3 374 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 1626a_100000106764_100000182045 [0,0,0,0,0,1|2,0,0]=3 375 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 1626a_100000742222_100000185807 [0,0,0,0,0,1|2,0,0]=3 376 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 22a_100000106764_100000182045 [0,0,0,0,0,1|2,0,0]=3 377 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 240690a_100000742222_100000185807 [0,0,0,0,0,1|2,0,0]=3 378 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 527a_100000106764_100000182045 [0,0,0,0,0,1|2,0,0]=3 379 B20R2.10809 O=C(CNC(=O)c1ccccc1)Nc2ccccc2 527a_100000742222_100000185807 [0,0,0,0,0,1|2,0,0]=3 380 B20R2.10809 O=C(CNC(=O)c1cccnc1)Cc2ccccc2 1458a_100000688122_100015291786 [0,0,0,0,0,1|3,0,0]=4 381 B20R2.10809 O=C(CNC(=O)c1cccnc1)Nc2ccccc2 11a_100000106764_100000688122 [0,0,0,0,0,1|3,0,0]=4 382 B20R2.10809 O=C(CNC(=O)c1cccnc1)Nc2ccccc2 22a_100000106764_100000688122 [0,0,0,0,0,1|3,0,0]=4 383 B20R2.10809 O=C(CNC(=O)c1cccnc1)Nc2ccccc2 527a_100000106764_100000688122 [0,0,0,0,0,1|3,0,0]=4 384 B20R2.10809 O=C(COC(=O)c1ccccc1)C[n+]2ccccc2 1458a_200000086051_100000073877 [0,0,0,0,0,1|2,0,0]=3 385 B20R2.10809 O=C(COC(=O)c1ccccc1)Cc2ccccn2 1458a_100000233486_100000073877 [0,0,0,0,0,1|2,0,0]=3 386 B20R2.10809 O=C(COC(=O)c1ccccc1)Cc2cccnc2 1458a_100000737805_100000073877 [0,0,0,0,0,1|2,0,0]=3 387 B20R2.10809 O=C(COC(=O)c1ccccc1)Cc2cncnc2 1458a_100000721575_100000073877 [0,0,0,0,0,1|3,0,0]=4 388 B20R2.10809 O=C(CSC(=S)c1ccccc1)Cc2ccccc2 1458a_100000043459_100015291786 [0,0,0,0,0,1|1,2,0]=4 389 B20R2.10809 O=C(CSC(=S)c1ccccc1)Nc2ccccc2 1626a_100000106764_100000043459 [0,0,0,0,0,1|1,2,0]=4 390 B20R2.10809 O=C(CSC(=S)c1ccccc1)Nc2ccccc2 527a_100000106764_100000043459 [0,0,0,0,0,1|1,2,0]=4 391 B20R2.10809 O=C(C[n+]1ccccc1)NNC(=O)c2ccccc2 22a_100000184135_200000086051 [0,0,0,0,0,1|3,0,0]=4 392 B20R2.10809 O=C(C[n+]1ccccc1)NNC(=O)c2ccccc2 22a_100000199085_100000185807 [0,0,0,0,0,1|3,0,0]=4 393 B20R2.10809 O=C(Cc1ccccc1)NNC(=O)c2ccccc2 22a_100000182964_100000185807 [0,0,0,0,0,1|2,0,0]=3 394 B20R2.10809 O=C(Cc1ccccn1)NNC(=O)c2ccccc2 22a_100000184135_100000233486 [0,0,0,0,0,1|3,0,0]=4 395 B20R2.10809 O=C(Cc1ccccn1)NNC(=O)c2ccccc2 22a_200000059813_100000185807 [0,0,0,0,0,1|3,0,0]=4 396 B20R2.10809 O=C(Cc1cccnc1)NNC(=O)c2ccccc2 22a_100000184135_100000737805 [0,0,0,0,0,1|3,0,0]=4 397 B20R2.10809 O=C(Cc1ccncc1)NNC(=O)c2ccccc2 22a_100000184135_100011201483 [0,0,0,0,0,1|3,0,0]=4 398 B20R2.10809 O=C(Cc1ccncc1)NNC(=O)c2ccccc2 22a_100000766356_100000185807 [0,0,0,0,0,1|3,0,0]=4 399 B20R2.10826 CC(COCC(=O)c1ccccc1)c2ccccc2 7a_100011215166_100000211460 [0,0,0,0,0,1|2,0,1]=4 400 B20R2.10826 CC(SCOC(=O)c1ccccc1)c2ccccc2 62a_100000073877_100000230085 [0,0,0,0,0,1|1,1,1]=4 401 B20R2.10826 CC(SCOC(=O)c1ccccc1)c2ccccc2 62a_100000230085_100000073877 [0,0,0,0,0,1|1,1,1]=4 402 B20R2.10826 CN(CCOC(=O)c1ccccc1)c2ccccc2 269982a_100000210012_100009812718 [0,0,0,0,0,1|3,0,0]=4 403 B20R2.10826 CN(CCOC(=O)c1ccccc1)c2ccccc2 34a_100000210012_100009812718 [0,0,0,0,0,1|3,0,0]=4 404 B20R2.10826 C[C@@H](OCCC(=O)c1ccccc1)c2ccccc2 7a_100000761318_100000750707 [0,0,0,0,0,1|2,0,1]=4 405 B20R2.10826 C[C@@H](OCOC(=O)c1ccccc1)c2ccccc2 7a_100000761318_100000073877 [0,0,0,0,0,1|1,0,1]=3 406 B20R2.10826 O=C(CCCC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000211006 [0,0,0,0,0,1|2,0,0]=3 407 B20R2.10826 O=C(CCNC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_200011215302 [0,0,0,0,0,1|2,0,0]=3 408 B20R2.10826 O=C(CCOC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000184176 [0,0,0,0,0,1|1,0,0]=2 409 B20R2.10826 O=C(CSCC(=O)c1ccccc1)c2ccccc2 62a_100000211460_100000211460 [0,0,0,0,0,1|1,1,0]=3 410 B20R2.10826 O=C(CSCC(=O)c1ccccn1)c2ccccc2 62a_100000027445_100000211460 [0,0,0,0,0,1|2,1,0]=4 411 B20R2.10826 O=C(CSCC(=O)c1ccccn1)c2ccccc2 62a_100000211460_100000027445 [0,0,0,0,0,1|2,1,0]=4 412 B20R2.10826 O=C(CSCC(=O)c1cccnc1)c2ccccc2 62a_100000211460_100000757877 [0,0,0,0,0,1|2,1,0]=4 413 B20R2.10826 O=C(CSCC(=O)c1cccnc1)c2ccccc2 62a_100000757877_100000211460 [0,0,0,0,0,1|2,1,0]=4 414 B20R2.10826 O=C(CSCC(=O)c1ccncc1)c2ccccc2 62a_100000027454_100000211460 [0,0,0,0,0,1|2,1,0]=4 415 B20R2.10826 O=C(CSCC(=O)c1ccncc1)c2ccccc2 62a_100000211460_100000027454 [0,0,0,0,0,1|2,1,0]=4 416 B20R2.10826 O=C(CSCS(=O)c1ccccc1)c2ccccc2 62a_100000211460_100000031784 [0,0,0,0,0,1|2,1,0]=4 417 B17R1.1299 C/C=C/C=CC(=O)COC(=O)c1ccccc1 1458a_100000185730_100000073877 [1,0,1,0,0,0|1,0,1]=4 418 B19R1.954 C=CC(=O)C/C=C/C(=O)OCC(=O)c1ccccc1 1458a_100000185746_200009813911 [0,1,1,0,0,0|1,0,1]=4 419 B19R2.4201 Cc1ccc(cc1)C(=O)C/C=C/c2ccccc2 1458a_100000188618_100016265936 [1,1,0,0,0,0|2,0,0]=4 420 B19R2.4201 Cc1ccc(cc1)C(=O)COCc2ccccc2 34a_100000210790_100000211441 [1,1,0,0,0,0|1,0,1]=4 421 B19R2.4201 Cc1ccc(cc1)C(=O)COCc2ccccc2 7a_100000210790_100000211441 [1,1,0,0,0,0|1,0,1]=4 422 B19R2.4201 Cc1ccc(cc1)C(=O)NN=Cc2ccccc2 4a_100000189790_100015611070 [1,1,0,0,0,0|2,0,0]=4 423 B19R2.4201 O=C(C/C=C/c1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100016265936 [1,1,0,0,0,0|2,0,0]=4 424 B19R2.4201 O=C(C/C=C/c1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100016265936 [1,1,0,0,0,0|2,0,0]=4 425 B19R2.4201 O=C(C/C=C/c1ccccc1)c2ccc(cc2)F 1458a_100000187176_100016265936 [1,1,0,0,0,0|2,0,0]=4 426 B19R2.4201 O=C(C/C=C/c1ccccc1)c2ccc(cc2)I 1458a_100000187904_100016265936 [1,1,0,0,0,0|2,0,0]=4 427 B19R2.4201 O=C(C/C=C/c1ccccc1)c2ccc(cc2)O 1458a_100000212099_100016265936 [1,1,0,0,0,0|2,0,0]=4 428 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)Br 34a_100000210790_100000188085 [1,1,0,0,0,0|1,0,1]=4 429 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)Br 7a_100000210790_100000188085 [1,1,0,0,0,0|1,0,1]=4 430 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)Cl 7a_100000210790_100000211071 [1,1,0,0,0,0|1,0,1]=4 431 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)F 34a_100000246311_100015291786 [1,1,0,0,0,0|1,0,1]=4 432 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)F 7a_100000210790_100000211279 [1,1,0,0,0,0|1,0,1]=4 433 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)I 34a_100000210790_100011216261 [1,1,0,0,0,0|1,0,1]=4 434 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)I 7a_100000210790_100011216261 [1,1,0,0,0,0|1,0,1]=4 435 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)O 34a_100000210790_100009814261 [1,1,0,0,0,0|1,0,1]=4 436 B19R2.4201 O=C(COCc1ccccc1)c2ccc(cc2)O 7a_100000210790_100000018856 [1,1,0,0,0,0|1,0,1]=4 437 B19R2.4201 O=C(NN=Cc1ccccc1)c2ccc(cc2)Br 4a_100000183614_100015611070 [1,1,0,0,0,0|2,0,0]=4 438 B19R2.4201 O=C(NN=Cc1ccccc1)c2ccc(cc2)Cl 4a_100000184390_100015611070 [1,1,0,0,0,0|2,0,0]=4 439 B19R2.4201 O=C(NN=Cc1ccccc1)c2ccc(cc2)F 4a_100000182866_100015611070 [1,1,0,0,0,0|2,0,0]=4 440 B19R2.4201 O=C(NN=Cc1ccccc1)c2ccc(cc2)I 4a_100000189773_100015611070 [1,1,0,0,0,0|2,0,0]=4 441 B19R2.4369 Cc1cccc(c1)C=NNC(=O)c2ccccc2 4a_100000184135_100000211157 [1,1,0,0,0,0|2,0,0]=4 442 B19R2.4369 Cc1cccc(c1)COCC(=O)c2ccccc2 7a_100011217746_100000211460 [1,1,0,0,0,0|1,0,1]=4 443 B19R2.4369 Cc1cccc(c1)OCOC(=O)c2ccccc2 7a_100000210337_100000073877 [1,1,0,0,0,0|2,0,0]=4 444 B19R2.4369 Cc1cccc(c1)SCOC(=O)c2ccccc2 62a_100000073877_100011215228 [1,1,0,0,0,0|2,0,0]=4 445 B19R2.4369 Cc1cccc(c1)SCOC(=O)c2ccccc2 62a_100011215228_100000073877 [1,1,0,0,0,0|2,0,0]=4 446 B19R2.4369 Nc1cccc(c1)SCOC(=O)c2ccccc2 62a_100000073877_100000210019 [1,1,0,0,0,0|2,0,0]=4 447 B19R2.4369 Nc1cccc(c1)SCOC(=O)c2ccccc2 62a_100000210019_100000073877 [1,1,0,0,0,0|2,0,0]=4 448 B19R2.4369 O=C(COCc1cccc(c1)Br)c2ccccc2 7a_100000687537_100000211460 [1,1,0,0,0,0|1,0,1]=4 449 B19R2.4369 O=C(COCc1cccc(c1)Cl)c2ccccc2 7a_100000241301_100000211460 [1,1,0,0,0,0|1,0,1]=4 450 B19R2.4369 O=C(COCc1cccc(c1)F)c2ccccc2 7a_100000210976_100000211460 [1,1,0,0,0,0|1,0,1]=4 451 B19R2.4369 O=C(COCc1cccc(c1)I)c2ccccc2 7a_100011215336_100000211460 [1,1,0,0,0,0|1,0,1]=4 452 B19R2.4369 O=C(NN=Cc1cccc(c1)Br)c2ccccc2 4a_100000184135_100000210085 [1,1,0,0,0,0|2,0,0]=4 453 B19R2.4369 O=C(NN=Cc1cccc(c1)Cl)c2ccccc2 4a_100000184135_100000210801 [1,1,0,0,0,0|2,0,0]=4 454 B19R2.4369 O=C(NN=Cc1cccc(c1)F)c2ccccc2 4a_100000184135_100000210812 [1,1,0,0,0,0|2,0,0]=4 455 B19R2.4369 O=C(NN=Cc1cccc(c1)I)c2ccccc2 4a_100000184135_100000014684 [1,1,0,0,0,0|2,0,0]=4 456 B19R2.4369 O=C(NN=Cc1cccc(c1)O)c2ccccc2 4a_100000184135_100000188321 [1,1,0,0,0,0|2,0,0]=4 457 B19R2.4369 O=C(OCOc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000073877 [1,1,0,0,0,0|2,0,0]=4 458 B19R2.4369 O=C(OCOc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000073877 [1,1,0,0,0,0|2,0,0]=4 459 B19R2.4369 O=C(OCOc1cccc(c1)F)c2ccccc2 7a_100000210426_100000073877 [1,1,0,0,0,0|2,0,0]=4 460 B19R2.4369 O=C(OCOc1cccc(c1)I)c2ccccc2 7a_100000211634_100000073877 [1,1,0,0,0,0|2,0,0]=4 461 B19R2.4369 O=C(OCSc1cccc(c1)Br)c2ccccc2 62a_100000073877_100000691529 [1,1,0,0,0,0|2,0,0]=4 462 B19R2.4369 O=C(OCSc1cccc(c1)Br)c2ccccc2 62a_100000691529_100000073877 [1,1,0,0,0,0|2,0,0]=4 463 B19R2.4369 O=C(OCSc1cccc(c1)Cl)c2ccccc2 62a_100000073877_100000699651 [1,1,0,0,0,0|2,0,0]=4 464 B19R2.4369 O=C(OCSc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100000073877 [1,1,0,0,0,0|2,0,0]=4 465 B19R2.4369 O=C(OCSc1cccc(c1)F)c2ccccc2 62a_100000073877_100000685547 [1,1,0,0,0,0|2,0,0]=4 466 B19R2.4369 O=C(OCSc1cccc(c1)F)c2ccccc2 62a_100000685547_100000073877 [1,1,0,0,0,0|2,0,0]=4 467 B19R2.4369 O=C(OCSc1cccc(c1)O)c2ccccc2 62a_100000073877_100000211634 [1,1,0,0,0,0|2,0,0]=4 468 B19R2.4369 O=C(OCSc1cccc(c1)[S])c2ccccc2 62a_100000073877_114929384022 [1,1,0,0,0,0|2,0,0]=4 469 B19R2.4369 O=C(OCSc1cccc(c1)[S])c2ccccc2 62a_114929384022_100000073877 [1,1,0,0,0,0|2,0,0]=4 470 B19R2.4394 Cc1cccc(c1)C(=O)C/C=C/c2ccccc2 1458a_100000189346_100016265936 [1,1,0,0,0,0|2,0,0]=4 471 B19R2.4394 Cc1cccc(c1)C(=O)COCc2ccccc2 34a_100000210790_100000739480 [1,1,0,0,0,0|1,0,1]=4 472 B19R2.4394 Cc1cccc(c1)C(=O)COCc2ccccc2 7a_100000210790_100000739480 [1,1,0,0,0,0|1,0,1]=4 473 B19R2.4394 Cc1cccc(c1)C(=O)NN=Cc2ccccc2 4a_100000189845_100015611070 [1,1,0,0,0,0|2,0,0]=4 474 B19R2.4394 O=C(C/C=C/c1ccccc1)c2cccc(c2)Br 1458a_100000210664_100016265936 [1,1,0,0,0,0|2,0,0]=4 475 B19R2.4394 O=C(C/C=C/c1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100016265936 [1,1,0,0,0,0|2,0,0]=4 476 B19R2.4394 O=C(C/C=C/c1ccccc1)c2cccc(c2)F 1458a_100000210950_100016265936 [1,1,0,0,0,0|2,0,0]=4 477 B19R2.4394 O=C(C/C=C/c1ccccc1)c2cccc(c2)I 1458a_100000184098_100016265936 [1,1,0,0,0,0|2,0,0]=4 478 B19R2.4394 O=C(C/C=C/c1ccccc1)c2cccc(c2)O 1458a_100000183914_100016265936 [1,1,0,0,0,0|2,0,0]=4 479 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)Br 34a_100000210790_100000212080 [1,1,0,0,0,0|1,0,1]=4 480 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)Br 7a_100000210790_100000212080 [1,1,0,0,0,0|1,0,1]=4 481 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)Cl 34a_100000210790_100000211444 [1,1,0,0,0,0|1,0,1]=4 482 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)Cl 7a_100000210790_100000211444 [1,1,0,0,0,0|1,0,1]=4 483 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)Cl 7a_200011592804_100000211182 [1,1,0,0,0,0|1,0,1]=4 484 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)F 34a_100000210790_100000215616 [1,1,0,0,0,0|1,0,1]=4 485 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)F 34a_100011592800_100015291786 [1,1,0,0,0,0|1,0,1]=4 486 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)F 7a_100011592800_100000211182 [1,1,0,0,0,0|1,0,1]=4 487 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)O 34a_100000210790_100009813753 [1,1,0,0,0,0|1,0,1]=4 488 B19R2.4394 O=C(COCc1ccccc1)c2cccc(c2)O 7a_100000210790_100009813753 [1,1,0,0,0,0|1,0,1]=4 489 B19R2.4394 O=C(NN=Cc1ccccc1)c2cccc(c2)Br 4a_100000189783_100015611070 [1,1,0,0,0,0|2,0,0]=4 490 B19R2.4394 O=C(NN=Cc1ccccc1)c2cccc(c2)Cl 4a_100000183659_100015611070 [1,1,0,0,0,0|2,0,0]=4 491 B19R2.4394 O=C(NN=Cc1ccccc1)c2cccc(c2)F 4a_100000189798_100015611070 [1,1,0,0,0,0|2,0,0]=4 492 B19R2.4394 O=C(NN=Cc1ccccc1)c2cccc(c2)I 4a_100000186306_100015611070 [1,1,0,0,0,0|2,0,0]=4 493 B19R2.4481 Cc1ccccc1C=NNC(=O)c2ccccc2 4a_100000184135_100000211143 [1,1,0,0,0,0|2,0,0]=4 494 B19R2.4481 Cc1ccccc1COCC(=O)c2ccccc2 7a_100000698903_100000211460 [1,1,0,0,0,0|1,0,1]=4 495 B19R2.4481 Cc1ccccc1OCOC(=O)c2ccccc2 7a_100000210338_100000073877 [1,1,0,0,0,0|2,0,0]=4 496 B19R2.4481 Cc1ccccc1SCOC(=O)c2ccccc2 62a_100000073877_100000210755 [1,1,0,0,0,0|2,0,0]=4 497 B19R2.4481 Cc1ccccc1SCOC(=O)c2ccccc2 62a_100000210755_100000073877 [1,1,0,0,0,0|2,0,0]=4 498 B19R2.4481 Nc1ccccc1OCOC(=O)c2ccccc2 7a_100000185747_100000073877 [1,1,0,0,0,0|2,0,0]=4 499 B19R2.4481 Nc1ccccc1SCOC(=O)c2ccccc2 62a_100000073877_100000210017 [1,1,0,0,0,0|2,0,0]=4 500 B19R2.4481 Nc1ccccc1SCOC(=O)c2ccccc2 62a_100000210017_100000073877 [1,1,0,0,0,0|2,0,0]=4 501 B19R2.4481 O=C(COCc1ccccc1Br)c2ccccc2 7a_100000756307_100000211460 [1,1,0,0,0,0|1,0,1]=4 502 B19R2.4481 O=C(COCc1ccccc1Cl)c2ccccc2 7a_100000210847_100000211460 [1,1,0,0,0,0|1,0,1]=4 503 B19R2.4481 O=C(COCc1ccccc1F)c2ccccc2 7a_100000211962_100000211460 [1,1,0,0,0,0|1,0,1]=4 504 B19R2.4481 O=C(COCc1ccccc1I)c2ccccc2 7a_100000187465_100000211460 [1,1,0,0,0,0|1,0,1]=4 505 B19R2.4481 O=C(NN=Cc1ccccc1Br)c2ccccc2 4a_100000184135_100000211189 [1,1,0,0,0,0|2,0,0]=4 506 B19R2.4481 O=C(NN=Cc1ccccc1Cl)c2ccccc2 4a_100000184135_100000210073 [1,1,0,0,0,0|2,0,0]=4 507 B19R2.4481 O=C(NN=Cc1ccccc1F)c2ccccc2 4a_100000184135_100000210811 [1,1,0,0,0,0|2,0,0]=4 508 B19R2.4481 O=C(NN=Cc1ccccc1I)c2ccccc2 4a_100000184135_100000010305 [1,1,0,0,0,0|2,0,0]=4 509 B19R2.4481 O=C(NN=Cc1ccccc1O)c2ccccc2 4a_100000184135_100000185834 [1,1,0,0,0,0|2,0,0]=4 510 B19R2.4481 O=C(OCOc1ccccc1Br)c2ccccc2 7a_100000181306_100000073877 [1,1,0,0,0,0|2,0,0]=4 511 B19R2.4481 O=C(OCOc1ccccc1Cl)c2ccccc2 7a_100000210172_100000073877 [1,1,0,0,0,0|2,0,0]=4 512 B19R2.4481 O=C(OCOc1ccccc1F)c2ccccc2 7a_100000210171_100000073877 [1,1,0,0,0,0|2,0,0]=4 513 B19R2.4481 O=C(OCOc1ccccc1I)c2ccccc2 7a_100000739446_100000073877 [1,1,0,0,0,0|2,0,0]=4 514 B19R2.4481 O=C(OCSc1ccccc1Br)c2ccccc2 62a_100000073877_100000695589 [1,1,0,0,0,0|2,0,0]=4 515 B19R2.4481 O=C(OCSc1ccccc1Br)c2ccccc2 62a_100000695589_100000073877 [1,1,0,0,0,0|2,0,0]=4 516 B19R2.4481 O=C(OCSc1ccccc1Cl)c2ccccc2 62a_100000073877_100000764095 [1,1,0,0,0,0|2,0,0]=4 517 B19R2.4481 O=C(OCSc1ccccc1Cl)c2ccccc2 62a_100000764095_100000073877 [1,1,0,0,0,0|2,0,0]=4 518 B19R2.4481 O=C(OCSc1ccccc1F)c2ccccc2 62a_100000073877_100011215700 [1,1,0,0,0,0|2,0,0]=4 519 B19R2.4481 O=C(OCSc1ccccc1F)c2ccccc2 62a_100011215700_100000073877 [1,1,0,0,0,0|2,0,0]=4 520 B19R2.4481 O=C(OCSc1ccccc1O)c2ccccc2 62a_100000073877_100000739446 [1,1,0,0,0,0|2,0,0]=4 521 B19R2.4481 O=C(OCSc1ccccc1O)c2ccccc2 62a_100000739446_100000073877 [1,1,0,0,0,0|2,0,0]=4 522 B19R2.5666 Cc1ccccc1C(=O)C/C=C/c2ccccc2 1458a_100000212026_100016265936 [1,1,0,0,0,0|2,0,0]=4 523 B19R2.5666 Cc1ccccc1C(=O)COCc2ccccc2 34a_100000210790_100000741374 [1,1,0,0,0,0|1,0,1]=4 524 B19R2.5666 Cc1ccccc1C(=O)COCc2ccccc2 7a_100000210790_100000741374 [1,1,0,0,0,0|1,0,1]=4 525 B19R2.5666 Cc1ccccc1C(=O)NN=Cc2ccccc2 4a_100000181371_100015611070 [1,1,0,0,0,0|2,0,0]=4 526 B19R2.5666 O=C(C/C=C/c1ccccc1)c2ccccc2Br 1458a_100000188424_100016265936 [1,1,0,0,0,0|2,0,0]=4 527 B19R2.5666 O=C(C/C=C/c1ccccc1)c2ccccc2Cl 1458a_100000185844_100016265936 [1,1,0,0,0,0|2,0,0]=4 528 B19R2.5666 O=C(C/C=C/c1ccccc1)c2ccccc2F 1458a_100000188656_100016265936 [1,1,0,0,0,0|2,0,0]=4 529 B19R2.5666 O=C(C/C=C/c1ccccc1)c2ccccc2I 1458a_100000187884_100016265936 [1,1,0,0,0,0|2,0,0]=4 530 B19R2.5666 O=C(C/C=C/c1ccccc1)c2ccccc2O 1458a_100015234032_100016265936 [1,1,0,0,0,0|2,0,0]=4 531 B19R2.5666 O=C(C/C=C/c1ccccc1)c2ccccc2[O-] 1458a_100009911694_100016265936 [1,1,0,0,0,0|2,0,0]=4 532 B19R2.5666 O=C(COCc1ccccc1)c2ccccc2Br 34a_100000210790_100000199116 [1,1,0,0,0,0|1,0,1]=4 533 B19R2.5666 O=C(COCc1ccccc1)c2ccccc2Cl 34a_100000210790_100000211432 [1,1,0,0,0,0|1,0,1]=4 534 B19R2.5666 O=C(COCc1ccccc1)c2ccccc2F 34a_100000210790_100000204681 [1,1,0,0,0,0|1,0,1]=4 535 B19R2.5666 O=C(COCc1ccccc1)c2ccccc2F 7a_100000210790_100000204681 [1,1,0,0,0,0|1,0,1]=4 536 B19R2.5666 O=C(COCc1ccccc1)c2ccccc2O 7a_100000210790_100000188908 [1,1,0,0,0,0|1,0,1]=4 537 B19R2.5666 O=C(NN=Cc1ccccc1)c2ccccc2Br 4a_100000183644_100015611070 [1,1,0,0,0,0|2,0,0]=4 538 B19R2.5666 O=C(NN=Cc1ccccc1)c2ccccc2Cl 4a_100000186534_100015611070 [1,1,0,0,0,0|2,0,0]=4 539 B19R2.5666 O=C(NN=Cc1ccccc1)c2ccccc2F 4a_100000183521_100015611070 [1,1,0,0,0,0|2,0,0]=4 540 B19R2.5666 O=C(NN=Cc1ccccc1)c2ccccc2I 4a_100000190081_100015611070 [1,1,0,0,0,0|2,0,0]=4 541 B19R2.11850 Cc1ccc(cc1)C=NNC(=O)c2ccccc2 4a_100000184135_100000211033 [1,1,0,0,0,0|2,0,0]=4 542 B19R2.11850 Cc1ccc(cc1)COCC(=O)c2ccccc2 7a_100011215236_100000211460 [1,1,0,0,0,0|1,0,1]=4 543 B19R2.11850 Cc1ccc(cc1)OCOC(=O)c2ccccc2 7a_100000210336_100000073877 [1,1,0,0,0,0|2,0,0]=4 544 B19R2.11850 Cc1ccc(cc1)SCOC(=O)c2ccccc2 62a_100000073877_100000186775 [1,1,0,0,0,0|2,0,0]=4 545 B19R2.11850 Cc1ccc(cc1)SCOC(=O)c2ccccc2 62a_100000186775_100000073877 [1,1,0,0,0,0|2,0,0]=4 546 B19R2.11850 Nc1ccc(cc1)SCOC(=O)c2ccccc2 62a_100000073877_100000185761 [1,1,0,0,0,0|2,0,0]=4 547 B19R2.11850 Nc1ccc(cc1)SCOC(=O)c2ccccc2 62a_100000185761_100000073877 [1,1,0,0,0,0|2,0,0]=4 548 B19R2.11850 O=C(COCc1ccc(cc1)Cl)c2ccccc2 7a_100000211118_100000211460 [1,1,0,0,0,0|1,0,1]=4 549 B19R2.11850 O=C(COCc1ccc(cc1)F)c2ccccc2 7a_100000210977_100000211460 [1,1,0,0,0,0|1,0,1]=4 550 B19R2.11850 O=C(COCc1ccc(cc1)I)c2ccccc2 7a_100000690907_100000211460 [1,1,0,0,0,0|1,0,1]=4 551 B19R2.11850 O=C(NN=Cc1ccc(cc1)Br)c2ccccc2 4a_100000184135_100000186029 [1,1,0,0,0,0|2,0,0]=4 552 B19R2.11850 O=C(NN=Cc1ccc(cc1)Cl)c2ccccc2 4a_100000184135_100000189385 [1,1,0,0,0,0|2,0,0]=4 553 B19R2.11850 O=C(NN=Cc1ccc(cc1)F)c2ccccc2 4a_100000184135_100000210084 [1,1,0,0,0,0|2,0,0]=4 554 B19R2.11850 O=C(NN=Cc1ccc(cc1)I)c2ccccc2 4a_100000184135_100000188517 [1,1,0,0,0,0|2,0,0]=4 555 B19R2.11850 O=C(NN=Cc1ccc(cc1)O)c2ccccc2 4a_100000184135_100000185832 [1,1,0,0,0,0|2,0,0]=4 556 B19R2.11850 O=C(OCOc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000073877 [1,1,0,0,0,0|2,0,0]=4 557 B19R2.11850 O=C(OCOc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000073877 [1,1,0,0,0,0|2,0,0]=4 558 B19R2.11850 O=C(OCOc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000073877 [1,1,0,0,0,0|2,0,0]=4 559 B19R2.11850 O=C(OCSc1ccc(cc1)Br)c2ccccc2 62a_100000073877_100000752885 [1,1,0,0,0,0|2,0,0]=4 560 B19R2.11850 O=C(OCSc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100000073877 [1,1,0,0,0,0|2,0,0]=4 561 B19R2.11850 O=C(OCSc1ccc(cc1)Cl)c2ccccc2 62a_100000073877_100000755918 [1,1,0,0,0,0|2,0,0]=4 562 B19R2.11850 O=C(OCSc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100000073877 [1,1,0,0,0,0|2,0,0]=4 563 B19R2.11850 O=C(OCSc1ccc(cc1)F)c2ccccc2 62a_100000073877_100000211213 [1,1,0,0,0,0|2,0,0]=4 564 B19R2.11850 O=C(OCSc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000073877 [1,1,0,0,0,0|2,0,0]=4 565 B19R2.11850 O=C(OCSc1ccc(cc1)O)c2ccccc2 62a_100000073877_100000185759 [1,1,0,0,0,0|2,0,0]=4 566 B19R2.16158 CC(OCc1ccccc1)C(=O)c2ccccc2 7a_100000210790_100000239700 [1,1,0,0,0,0|1,0,1]=4 567 B19R2.4362 Cc1cccc(c1)C(=O)CC(=O)c2ccccc2 1458a_100000185807_100000739480 [0,1,0,0,1,0|1,0,0]=3 568 B19R2.4362 Cc1cccc(c1)C(=O)CC(=O)c2ccccc2 1458a_100000189346_100000211460 [0,1,0,0,1,0|1,0,0]=3 569 B19R2.4362 Cc1cccc(c1)C(=O)CC(=O)c2ccccn2 1458a_100000189346_100000027445 [0,1,0,0,1,0|2,0,0]=4 570 B19R2.4362 Cc1cccc(c1)C(=O)CC(=O)c2cccnc2 1458a_100000189346_100015188593 [0,1,0,0,1,0|2,0,0]=4 571 B19R2.4362 Cc1cccc(c1)C(=O)CC(=O)c2ccncc2 1458a_100000189346_100000027454 [0,1,0,0,1,0|2,0,0]=4 572 B19R2.4362 O=C(CC(=O)c1cccc(c1)Br)c2ccccc2 1458a_100000185807_100000212080 [0,1,0,0,1,0|1,0,0]=3 573 B19R2.4362 O=C(CC(=O)c1cccc(c1)Br)c2ccccc2 1458a_100000210664_100000211460 [0,1,0,0,1,0|1,0,0]=3 574 B19R2.4362 O=C(CC(=O)c1cccc(c1)Br)c2cccnc2 1458a_100000210664_100015188593 [0,1,0,0,1,0|2,0,0]=4 575 B19R2.4362 O=C(CC(=O)c1cccc(c1)Br)c2ccncc2 1458a_100000210664_100000027454 [0,1,0,0,1,0|2,0,0]=4 576 B19R2.4362 O=C(CC(=O)c1cccc(c1)Cl)c2ccccc2 1458a_100000185807_100000211444 [0,1,0,0,1,0|1,0,0]=3 577 B19R2.4362 O=C(CC(=O)c1cccc(c1)Cl)c2ccccc2 1458a_100000210390_100000211460 [0,1,0,0,1,0|1,0,0]=3 578 B19R2.4362 O=C(CC(=O)c1cccc(c1)Cl)c2cccnc2 1458a_100000210390_100015188593 [0,1,0,0,1,0|2,0,0]=4 579 B19R2.4362 O=C(CC(=O)c1cccc(c1)Cl)c2ccncc2 1458a_100000210390_100000027454 [0,1,0,0,1,0|2,0,0]=4 580 B19R2.4362 O=C(CC(=O)c1cccc(c1)F)c2ccccc2 1458a_100000185807_100000215616 [0,1,0,0,1,0|1,0,0]=3 581 B19R2.4362 O=C(CC(=O)c1cccc(c1)F)c2ccccc2 1458a_100000210950_100000211460 [0,1,0,0,1,0|1,0,0]=3 582 B19R2.4362 O=C(CC(=O)c1cccc(c1)F)c2cccnc2 1458a_100000210950_100015188593 [0,1,0,0,1,0|2,0,0]=4 583 B19R2.4362 O=C(CC(=O)c1cccc(c1)F)c2ccncc2 1458a_100000210950_100000027454 [0,1,0,0,1,0|2,0,0]=4 584 B19R2.4362 O=C(CC(=O)c1cccc(c1)I)c2ccccc2 1458a_100000184098_100000211460 [0,1,0,0,1,0|1,0,0]=3 585 B19R2.4362 O=C(CC(=O)c1cccc(c1)I)c2cccnc2 1458a_100000184098_100015188593 [0,1,0,0,1,0|2,0,0]=4 586 B19R2.4362 O=C(CC(=O)c1cccc(c1)I)c2ccncc2 1458a_100000184098_100000027454 [0,1,0,0,1,0|2,0,0]=4 587 B19R2.4362 O=C(CC(=O)c1cccc(c1)O)c2ccccc2 1458a_100000183914_100000211460 [0,1,0,0,1,0|1,0,0]=3 588 B19R2.4362 O=C(CC(=O)c1cccc(c1)O)c2ccccc2 1458a_100000185807_100009813753 [0,1,0,0,1,0|1,0,0]=3 589 B19R2.4362 O=C(CC(=O)c1cccc(c1)O)c2cccnc2 1458a_100000183914_100015188593 [0,1,0,0,1,0|2,0,0]=4 590 B19R2.4362 O=C(CC(=O)c1cccc(c1)O)c2ccncc2 1458a_100000183914_100000027454 [0,1,0,0,1,0|2,0,0]=4 591 B19R2.4362 O=C(CC(=O)c1ccccn1)c2cccc(c2)Br 1458a_100000210664_100000027445 [0,1,0,0,1,0|2,0,0]=4 592 B19R2.4362 O=C(CC(=O)c1ccccn1)c2cccc(c2)Cl 1458a_100000210390_100000027445 [0,1,0,0,1,0|2,0,0]=4 593 B19R2.4362 O=C(CC(=O)c1ccccn1)c2cccc(c2)F 1458a_100000210950_100000027445 [0,1,0,0,1,0|2,0,0]=4 594 B19R2.4362 O=C(CC(=O)c1ccccn1)c2cccc(c2)I 1458a_100000184098_100000027445 [0,1,0,0,1,0|2,0,0]=4 595 B19R2.4362 O=C(CC(=O)c1ccccn1)c2cccc(c2)O 1458a_100000183914_100000027445 [0,1,0,0,1,0|2,0,0]=4 596 B19R2.4362 O=C(CC(=O)c1ccnc(c1)Cl)c2ccccc2 1458a_100000185807_100009817076 [0,1,0,0,1,0|2,0,0]=4 597 B19R2.5647 Cc1ccccc1C(=O)CC(=O)c2ccccc2 1458a_100000185807_100000741374 [0,1,0,0,1,0|1,0,0]=3 598 B19R2.5647 Cc1ccccc1C(=O)CC(=O)c2ccccc2 1458a_100000212026_100000211460 [0,1,0,0,1,0|1,0,0]=3 599 B19R2.5647 Cc1ccccc1C(=O)CC(=O)c2ccccn2 1458a_100000212026_100000027445 [0,1,0,0,1,0|2,0,0]=4 600 B19R2.5647 Cc1ccccc1C(=O)CC(=O)c2cccnc2 1458a_100000212026_100015188593 [0,1,0,0,1,0|2,0,0]=4 601 B19R2.5647 Cc1ccccc1C(=O)CC(=O)c2ccncc2 1458a_100000212026_100000027454 [0,1,0,0,1,0|2,0,0]=4 602 B19R2.5647 O=C(CC(=O)c1ccccc1Br)c2ccccc2 1458a_100000185807_100000199116 [0,1,0,0,1,0|1,0,0]=3 603 B19R2.5647 O=C(CC(=O)c1ccccc1Br)c2ccccc2 1458a_100000188424_100000211460 [0,1,0,0,1,0|1,0,0]=3 604 B19R2.5647 O=C(CC(=O)c1ccccc1Br)c2ccccn2 1458a_100000188424_100000027445 [0,1,0,0,1,0|2,0,0]=4 605 B19R2.5647 O=C(CC(=O)c1ccccc1Br)c2cccnc2 1458a_100000188424_100015188593 [0,1,0,0,1,0|2,0,0]=4 606 B19R2.5647 O=C(CC(=O)c1ccccc1Br)c2ccncc2 1458a_100000188424_100000027454 [0,1,0,0,1,0|2,0,0]=4 607 B19R2.5647 O=C(CC(=O)c1ccccc1Cl)c2ccccc2 1458a_100000185807_100000211432 [0,1,0,0,1,0|1,0,0]=3 608 B19R2.5647 O=C(CC(=O)c1ccccc1Cl)c2ccccc2 1458a_100000185844_100000211460 [0,1,0,0,1,0|1,0,0]=3 609 B19R2.5647 O=C(CC(=O)c1ccccc1Cl)c2ccccn2 1458a_100000185844_100000027445 [0,1,0,0,1,0|2,0,0]=4 610 B19R2.5647 O=C(CC(=O)c1ccccc1Cl)c2cccnc2 1458a_100000185844_100015188593 [0,1,0,0,1,0|2,0,0]=4 611 B19R2.5647 O=C(CC(=O)c1ccccc1Cl)c2ccncc2 1458a_100000185844_100000027454 [0,1,0,0,1,0|2,0,0]=4 612 B19R2.5647 O=C(CC(=O)c1ccccc1F)c2ccccc2 1458a_100000185807_100000204681 [0,1,0,0,1,0|1,0,0]=3 613 B19R2.5647 O=C(CC(=O)c1ccccc1F)c2ccccc2 1458a_100000188656_100000211460 [0,1,0,0,1,0|1,0,0]=3 614 B19R2.5647 O=C(CC(=O)c1ccccc1F)c2ccccn2 1458a_100000188656_100000027445 [0,1,0,0,1,0|2,0,0]=4 615 B19R2.5647 O=C(CC(=O)c1ccccc1F)c2cccnc2 1458a_100000188656_100015188593 [0,1,0,0,1,0|2,0,0]=4 616 B19R2.5647 O=C(CC(=O)c1ccccc1F)c2ccncc2 1458a_100000188656_100000027454 [0,1,0,0,1,0|2,0,0]=4 617 B19R2.5647 O=C(CC(=O)c1ccccc1I)c2ccccc2 1458a_100000187884_100000211460 [0,1,0,0,1,0|1,0,0]=3 618 B19R2.5647 O=C(CC(=O)c1ccccc1I)c2ccccn2 1458a_100000187884_100000027445 [0,1,0,0,1,0|2,0,0]=4 619 B19R2.5647 O=C(CC(=O)c1ccccc1I)c2cccnc2 1458a_100000187884_100015188593 [0,1,0,0,1,0|2,0,0]=4 620 B19R2.5647 O=C(CC(=O)c1ccccc1I)c2ccncc2 1458a_100000187884_100000027454 [0,1,0,0,1,0|2,0,0]=4 621 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccccc2 1458a_100000185807_100000188908 [0,1,0,0,1,0|1,0,0]=3 622 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccccc2 1458a_100015234032_100000211460 [0,1,0,0,1,0|1,0,0]=3 623 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccccn2 1458a_100015234032_100000027445 [0,1,0,0,1,0|2,0,0]=4 624 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2cccnc2 1458a_100015234032_100015188593 [0,1,0,0,1,0|2,0,0]=4 625 B19R2.5647 O=C(CC(=O)c1ccccc1O)c2ccncc2 1458a_100015234032_100000027454 [0,1,0,0,1,0|2,0,0]=4 626 B19R2.5647 O=C(CC(=O)c1ccccc1[O-])c2ccccc2 1458a_100009911694_100000211460 [0,1,0,0,1,0|1,0,0]=3 627 B19R2.5647 O=C(CC(=O)c1ccccc1[O-])c2ccccn2 1458a_100009911694_100000027445 [0,1,0,0,1,0|2,0,0]=4 628 B19R2.5647 O=C(CC(=O)c1ccccc1[O-])c2cccnc2 1458a_100009911694_100015188593 [0,1,0,0,1,0|2,0,0]=4 629 B19R2.5647 O=C(CC(=O)c1ccccc1[O-])c2ccncc2 1458a_100009911694_100000027454 [0,1,0,0,1,0|2,0,0]=4 630 B19R2.8901 O=C(CS(=O)(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000240042 [0,1,0,0,1,0|2,0,0]=4 631 B19R2.8901 O=C(NS(=O)(=O)c1ccccc1)c2ccccc2 2740a_100000164509_100000185807 [0,1,0,0,1,0|2,0,0]=4 632 B19R2.12286 Cc1ccc(cc1)C(=O)CC(=O)c2ccccc2 1458a_100000185807_100000211441 [0,1,0,0,1,0|1,0,0]=3 633 B19R2.12286 Cc1ccc(cc1)C(=O)CC(=O)c2ccccc2 1458a_100000188618_100000211460 [0,1,0,0,1,0|1,0,0]=3 634 B19R2.12286 Cc1ccc(cc1)C(=O)CC(=O)c2ccccn2 1458a_100000188618_100000027445 [0,1,0,0,1,0|2,0,0]=4 635 B19R2.12286 Cc1ccc(cc1)C(=O)CC(=O)c2cccnc2 1458a_100000188618_100015188593 [0,1,0,0,1,0|2,0,0]=4 636 B19R2.12286 Cc1ccc(cc1)C(=O)CC(=O)c2ccncc2 1458a_100000188618_100000027454 [0,1,0,0,1,0|2,0,0]=4 637 B19R2.12286 Cc1ccc(cn1)C(=O)CC(=O)c2ccccc2 1458a_100000185807_100012027583 [0,1,0,0,1,0|2,0,0]=4 638 B19R2.12286 O=C(CC(=O)c1ccc(cc1)Br)c2ccccc2 1458a_100000185807_100000188085 [0,1,0,0,1,0|1,0,0]=3 639 B19R2.12286 O=C(CC(=O)c1ccc(cc1)Br)c2ccccc2 1458a_100000185839_100000211460 [0,1,0,0,1,0|1,0,0]=3 640 B19R2.12286 O=C(CC(=O)c1ccc(cc1)Br)c2ccncc2 1458a_100000185839_100000027454 [0,1,0,0,1,0|2,0,0]=4 641 B19R2.12286 O=C(CC(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000185807_100000211071 [0,1,0,0,1,0|1,0,0]=3 642 B19R2.12286 O=C(CC(=O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000210187_100000211460 [0,1,0,0,1,0|1,0,0]=3 643 B19R2.12286 O=C(CC(=O)c1ccc(cc1)Cl)c2ccncc2 1458a_100000210187_100000027454 [0,1,0,0,1,0|2,0,0]=4 644 B19R2.12286 O=C(CC(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000185807_100000211279 [0,1,0,0,1,0|1,0,0]=3 645 B19R2.12286 O=C(CC(=O)c1ccc(cc1)F)c2ccccc2 1458a_100000187176_100000211460 [0,1,0,0,1,0|1,0,0]=3 646 B19R2.12286 O=C(CC(=O)c1ccc(cc1)F)c2ccncc2 1458a_100000187176_100000027454 [0,1,0,0,1,0|2,0,0]=4 647 B19R2.12286 O=C(CC(=O)c1ccc(cc1)I)c2ccccc2 1458a_100000185807_100011216261 [0,1,0,0,1,0|1,0,0]=3 648 B19R2.12286 O=C(CC(=O)c1ccc(cc1)I)c2ccccc2 1458a_100000187904_100000211460 [0,1,0,0,1,0|1,0,0]=3 649 B19R2.12286 O=C(CC(=O)c1ccc(cc1)I)c2ccncc2 1458a_100000187904_100000027454 [0,1,0,0,1,0|2,0,0]=4 650 B19R2.12286 O=C(CC(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000185807_100009814261 [0,1,0,0,1,0|1,0,0]=3 651 B19R2.12286 O=C(CC(=O)c1ccc(cc1)O)c2ccccc2 1458a_100000212099_100000211460 [0,1,0,0,1,0|1,0,0]=3 652 B19R2.12286 O=C(CC(=O)c1ccc(cc1)O)c2ccncc2 1458a_100000212099_100000027454 [0,1,0,0,1,0|2,0,0]=4 653 B19R2.12286 O=C(CC(=O)c1ccc(cn1)Cl)c2ccccc2 1458a_100000185807_100016989621 [0,1,0,0,1,0|2,0,0]=4 654 B19R2.12286 O=C(CC(=O)c1ccc(nc1)Cl)c2ccccc2 1458a_100000185807_100009864725 [0,1,0,0,1,0|2,0,0]=4 655 B19R2.12286 O=C(CC(=O)c1ccccn1)c2ccc(cc2)Br 1458a_100000185839_100000027445 [0,1,0,0,1,0|2,0,0]=4 656 B19R2.12286 O=C(CC(=O)c1ccccn1)c2ccc(cc2)Cl 1458a_100000210187_100000027445 [0,1,0,0,1,0|2,0,0]=4 657 B19R2.12286 O=C(CC(=O)c1ccccn1)c2ccc(cc2)F 1458a_100000187176_100000027445 [0,1,0,0,1,0|2,0,0]=4 658 B19R2.12286 O=C(CC(=O)c1ccccn1)c2ccc(cc2)I 1458a_100000187904_100000027445 [0,1,0,0,1,0|2,0,0]=4 659 B19R2.12286 O=C(CC(=O)c1ccccn1)c2ccc(cc2)O 1458a_100000212099_100000027445 [0,1,0,0,1,0|2,0,0]=4 660 B19R2.12286 O=C(CC(=O)c1cccnc1)c2ccc(cc2)Br 1458a_100000185839_100015188593 [0,1,0,0,1,0|2,0,0]=4 661 B19R2.12286 O=C(CC(=O)c1cccnc1)c2ccc(cc2)Cl 1458a_100000210187_100015188593 [0,1,0,0,1,0|2,0,0]=4 662 B19R2.12286 O=C(CC(=O)c1cccnc1)c2ccc(cc2)F 1458a_100000187176_100015188593 [0,1,0,0,1,0|2,0,0]=4 663 B19R2.12286 O=C(CC(=O)c1cccnc1)c2ccc(cc2)I 1458a_100000187904_100015188593 [0,1,0,0,1,0|2,0,0]=4 664 B19R2.12286 O=C(CC(=O)c1cccnc1)c2ccc(cc2)O 1458a_100000212099_100015188593 [0,1,0,0,1,0|2,0,0]=4 665 B19R2.21040 CC(C(=O)c1ccccc1)C(=O)c2ccccc2 1458a_100000185807_100000239700 [0,1,0,0,1,0|1,0,0]=3 666 B21R2.19161 [2H]C(OCOC(=O)c1ccccc1)c2ccc(cc2)F 7a_217856618577_100000073877 [0,1,0,0,0,1|1,0,1]=4 667 B19R2.883 C=Cc1cccc(c1)OCC(=O)c2ccccc2 7a_100011309434_100000211460 [0,0,1,1,0,0|2,0,0]=4 668 B19R3.27 c1ccc(cc1)c2coc(n2)c3ccccc3 271570a_100011218836_100010163736 [1,0,0,1,0,0|2,0,0]=4 669 B19R3.27 c1ccc(cc1)c2noc(n2)c3ccccc3 270196a_100000210280_100000185807 [1,0,0,1,0,0|2,0,0]=4 670 B19R3.27 c1ccc(cc1)c2noc(n2)c3ccccc3 271570a_100011218836_200000701163 [1,0,0,1,0,0|2,0,0]=4 671 B19R3.9008 O=c1[nH]nc(c2c1cccc2)c3ccccc3 271570a_100011218836_100010235092 [1,0,0,1,0,0|2,0,0]=4 672 B19R3.17443 O=C1OC(c2c1cccc2)Sc3ccccc3 62a_100000719477_100009813457 [1,0,0,1,0,0|2,0,0]=4 673 B19R3.9171 O=c1cc([nH]c2c1cccc2)c3ccccc3 271570a_100011218836_100000090176 [0,0,0,1,1,0|2,0,0]=4 674 B21R3.19579 O=C(NC1C(=O)Nc2c1cccc2)c3ccccc3 240690a_200000746459_100000185807 [0,0,0,1,0,1|2,0,0]=4 675 B21R3.4959518 O=C(NC1NC(=O)c2c1cccc2)c3ccccc3 1626a_100016086272_100000185807 [0,0,0,1,0,1|2,0,0]=4 676 B21R3.4959518 O=C(NC1NC(=O)c2c1cccc2)c3ccccc3 240690a_100016086272_100000185807 [0,0,0,1,0,1|2,0,0]=4 677 B21R3.4959518 O=C(NC1NC(=O)c2c1cccc2)c3ccccc3 527a_100016086272_100000185807 [0,0,0,1,0,1|2,0,0]=4 678 B21R3.623 O=C(COc1csc2c1cccc2)c3ccccc3 7a_100000077758_100000211460 [0,1,0,1,0,0|1,1,0]=4 679 B21R3.7432324 Cc1cccc(c1)C(=O)C2CC(=O)c3c2cccc3 1458a_100000189346_100010208147 [0,1,0,1,0,0|2,0,0]=4 680 B21R3.7432324 O=C1CC(c2c1cccc2)C(=O)c3cccc(c3)Br 1458a_100000210664_100010208147 [0,1,0,1,0,0|2,0,0]=4 681 B21R3.7432324 O=C1CC(c2c1cccc2)C(=O)c3cccc(c3)Cl 1458a_100000210390_100010208147 [0,1,0,1,0,0|2,0,0]=4 682 B21R3.7432324 O=C1CC(c2c1cccc2)C(=O)c3cccc(c3)F 1458a_100000210950_100010208147 [0,1,0,1,0,0|2,0,0]=4 683 B21R3.7432324 O=C1CC(c2c1cccc2)C(=O)c3cccc(c3)I 1458a_100000184098_100010208147 [0,1,0,1,0,0|2,0,0]=4 684 B21R3.7432324 O=C1CC(c2c1cccc2)C(=O)c3cccc(c3)O 1458a_100000183914_100010208147 [0,1,0,1,0,0|2,0,0]=4 685 B21R3.6678036 Cc1ccccc1C(=O)C2CC(=O)c3c2cccc3 1458a_100000212026_100010208147 [0,1,0,1,0,0|2,0,0]=4 686 B21R3.6678036 O=C1CC(c2c1cccc2)C(=O)c3ccccc3Br 1458a_100000188424_100010208147 [0,1,0,1,0,0|2,0,0]=4 687 B21R3.6678036 O=C1CC(c2c1cccc2)C(=O)c3ccccc3Cl 1458a_100000185844_100010208147 [0,1,0,1,0,0|2,0,0]=4 688 B21R3.6678036 O=C1CC(c2c1cccc2)C(=O)c3ccccc3F 1458a_100000188656_100010208147 [0,1,0,1,0,0|2,0,0]=4 689 B21R3.6678036 O=C1CC(c2c1cccc2)C(=O)c3ccccc3I 1458a_100000187884_100010208147 [0,1,0,1,0,0|2,0,0]=4 690 B21R3.6678036 O=C1CC(c2c1cccc2)C(=O)c3ccccc3O 1458a_100015234032_100010208147 [0,1,0,1,0,0|2,0,0]=4 691 B21R3.6678036 O=C1CC(c2c1cccc2)C(=O)c3ccccc3[O-] 1458a_100009911694_100010208147 [0,1,0,1,0,0|2,0,0]=4 692 B21R3.652642 Cc1ccc(cc1)C(=O)C2CC(=O)c3c2cccc3 1458a_100000188618_100010208147 [0,1,0,1,0,0|2,0,0]=4 693 B21R3.652642 O=C1CC(c2c1cccc2)C(=O)c3ccc(cc3)Br 1458a_100000185839_100010208147 [0,1,0,1,0,0|2,0,0]=4 694 B21R3.652642 O=C1CC(c2c1cccc2)C(=O)c3ccc(cc3)Cl 1458a_100000210187_100010208147 [0,1,0,1,0,0|2,0,0]=4 695 B21R3.652642 O=C1CC(c2c1cccc2)C(=O)c3ccc(cc3)F 1458a_100000187176_100010208147 [0,1,0,1,0,0|2,0,0]=4 696 B21R3.652642 O=C1CC(c2c1cccc2)C(=O)c3ccc(cc3)I 1458a_100000187904_100010208147 [0,1,0,1,0,0|2,0,0]=4 697 B21R3.652642 O=C1CC(c2c1cccc2)C(=O)c3ccc(cc3)O 1458a_100000212099_100010208147 [0,1,0,1,0,0|2,0,0]=4 698 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 1458a_100000185807_100000765856 [1,0,0,0,1,0|1,0,1]=4 699 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 7a_100000210340_100000211460 [1,0,0,0,1,0|1,0,0]=3 700 B17R2.2342 O=C(COc1ccccc1)c2ccccn2 34a_100000210340_100000027445 [1,0,0,0,1,0|2,0,0]=4 701 B17R2.2342 O=C(COc1ccccc1)c2ccccn2 7a_100000210340_100000027445 [1,0,0,0,1,0|2,0,0]=4 702 B17R2.2342 O=C(COc1ccccc1)c2ccncc2 7a_100000210340_100015248511 [1,0,0,0,1,0|2,0,0]=4 703 B17R2.2342 O=C(COc1cccnc1)c2ccccc2 7a_100000210849_100000211460 [1,0,0,0,1,0|2,0,0]=4 704 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000211460_100000041952 [1,0,0,0,1,0|1,1,0]=4 705 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000719477_100000211460 [1,0,0,0,1,0|1,1,0]=4 706 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 11a_100015324214_100000185807 [1,0,0,0,1,0|1,0,1]=4 707 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 1626a_100015324214_100000185807 [1,0,0,0,1,0|1,0,1]=4 708 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 240690a_100015324214_100000185807 [1,0,0,0,1,0|1,0,1]=4 709 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 527a_100015324214_100000185807 [1,0,0,0,1,0|1,0,1]=4 710 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 22a_100015195140_100000185807 [1,0,0,0,1,0|2,0,0]=4 711 B17R2.10205 CC(C(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000230085 [0,0,0,0,2,0|1,0,1]=4 712 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 11a_100000210012_100000185807 [0,0,0,0,2,0|2,0,0]=4 713 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1626a_100000210012_100000185807 [0,0,0,0,2,0|2,0,0]=4 714 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 22a_100000210012_100000185807 [0,0,0,0,2,0|2,0,0]=4 715 B17R2.18474 O=C(CC(=O)c1ccc[nH]1)c2ccccc2 1458a_100000185807_200011262396 [0,0,0,0,2,0|2,0,0]=4 716 B17R2.18474 O=C(CC(=O)c1ccco1)c2ccccc2 1458a_100000185807_100000211439 [0,0,0,0,2,0|2,0,0]=4 717 B17R2.18474 O=C(CC(=O)c1cccs1)c2ccccc2 1458a_100000185807_100000211436 [0,0,0,0,2,0|2,0,0]=4 718 B17R2.18474 O=C(CC(=O)c1ccsc1)c2ccccc2 1458a_100000185807_100011219462 [0,0,0,0,2,0|2,0,0]=4 719 B19R2.8899 O=C(CCOCc1ccccc1)c2ccccc2 1458a_100000185807_100000234347 [1,0,0,0,0,1|1,0,1]=4 720 B19R2.8899 O=C(CCOCc1ccccc1)c2ccccc2 7a_100000210790_100000750707 [1,0,0,0,0,1|1,0,1]=4 721 B19R2.8899 O=C(COCCc1ccccc1)c2ccccc2 7a_100000210268_100000211460 [1,0,0,0,0,1|1,0,1]=4 722 B19R2.8899 O=C(NC/C=C/c1ccccc1)c2ccccc2 11a_100020603302_100000185807 [1,0,0,0,0,1|2,0,0]=4 723 B19R2.8899 O=C(NC/C=C/c1ccccc1)c2ccccc2 1626a_100020603302_100000185807 [1,0,0,0,0,1|2,0,0]=4 724 B19R2.8899 O=C(NC/C=C/c1ccccc1)c2ccccc2 240690a_100020603302_100000185807 [1,0,0,0,0,1|2,0,0]=4 725 B19R2.8899 O=C(NC/C=C/c1ccccc1)c2ccccc2 527a_100020603302_100000185807 [1,0,0,0,0,1|2,0,0]=4 726 B19R2.8899 O=C(NN=CCc1ccccc1)c2ccccc2 4a_100000184135_100000209964 [1,0,0,0,0,1|2,0,0]=4 727 B19R2.8899 O=C(OCCNc1ccccc1)c2ccccc2 34a_100000106764_100009812718 [1,0,0,0,0,1|1,0,1]=4 728 B19R2.8899 O=C(OCCOc1ccccc1)c2ccccc2 34a_100000210340_100009812718 [1,0,0,0,0,1|1,0,1]=4 729 B19R2.8899 O=C(OCCOc1ccccc1)c2ccccc2 7a_100000210340_100000184176 [1,0,0,0,0,1|1,0,1]=4 730 B19R2.8899 O=C(OCCSc1ccccc1)c2ccccc2 62a_100000719477_100009812718 [1,0,0,0,0,1|1,0,1]=4 731 B19R2.8899 O=C(OCCSc1ccccc1)c2ccccc2 62a_100009812718_100000041952 [1,0,0,0,0,1|1,0,1]=4 732 B19R2.8899 O=C(OCOCc1ccccc1)c2ccccc2 7a_100000210790_100000073877 [1,0,0,0,0,1|0,0,1]=3 733 B19R2.8899 O=C(OCSCc1ccccc1)c2ccccc2 62a_100000073877_100015291786 [1,0,0,0,0,1|0,1,1]=4 734 B19R2.8899 O=C(OCSCc1ccccc1)c2ccccc2 62a_100000211182_100000073877 [1,0,0,0,0,1|0,1,1]=4 735 B19R2.8900 O=C(C/C=C/c1ccccc1)Cc2ccccc2 1458a_100011219626_100015291786 [1,0,0,0,0,1|2,0,0]=4 736 B19R2.8900 O=C(C/C=C/c1ccccc1)Nc2ccccc2 11a_100000106764_100011219626 [1,0,0,0,0,1|2,0,0]=4 737 B19R2.8900 O=C(C/C=C/c1ccccc1)Nc2ccccc2 1626a_100000106764_100011219626 [1,0,0,0,0,1|2,0,0]=4 738 B19R2.8900 O=C(C/C=C/c1ccccc1)Nc2ccccc2 22a_100000106764_100011219626 [1,0,0,0,0,1|2,0,0]=4 739 B19R2.8900 O=C(COCc1ccccc1)Cc2ccccc2 1458a_100000230186_100015291786 [1,0,0,0,0,1|1,0,1]=4 740 B19R2.8900 O=C(COCc1ccccc1)Cc2ccccc2 7a_100000210790_100000233483 [1,0,0,0,0,1|1,0,1]=4 741 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 11a_100000106764_100000230186 [1,0,0,0,0,1|1,0,1]=4 742 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 1626a_100000106764_100000230186 [1,0,0,0,0,1|1,0,1]=4 743 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 22a_100000106764_100000230186 [1,0,0,0,0,1|1,0,1]=4 744 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 34a_100000210790_100000182850 [1,0,0,0,0,1|1,0,1]=4 745 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 34a_100000246334_100015291786 [1,0,0,0,0,1|1,0,1]=4 746 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 527a_100000106764_100000230186 [1,0,0,0,0,1|1,0,1]=4 747 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 7a_100000210790_100000182850 [1,0,0,0,0,1|1,0,1]=4 748 B19R2.8900 O=C(COCc1ccccc1)Oc2ccccc2 34a_100000210790_100009813826 [1,0,0,0,0,1|1,0,1]=4 749 B19R2.8900 O=C(COCc1ccccc1)Oc2ccccc2 7a_100000210790_100009813826 [1,0,0,0,0,1|1,0,1]=4 750 B19R2.8900 O=C(Cc1ccccc1)NN=Cc2ccccc2 4a_100000182964_100015611070 [1,0,0,0,0,1|2,0,0]=4