0 B20R2.2703 C(#Cc1ccccc1)COC/C=C/c2ccccc2 34a_100000210256_100011352542 [1,0,0,0,0,0|0,0,3]=4 1 B20R2.2703 C(#Cc1ccccc1)COC/C=C/c2ccccc2 34a_100011217464_100016265936 [1,0,0,0,0,0|0,0,3]=4 2 B20R2.2703 C(#Cc1ccccc1)COC/C=C/c2ccccc2 7a_100011217464_100016265936 [1,0,0,0,0,0|0,0,3]=4 3 B20R2.2703 C(#Cc1ccccc1)COCCCc2ccccc2 34a_100000210828_100011352542 [1,0,0,0,0,0|0,0,3]=4 4 B20R2.2703 C(#Cc1ccccc1)COCCCc2ccccc2 34a_100011217464_100000211621 [1,0,0,0,0,0|0,0,3]=4 5 B20R2.2703 C(#Cc1ccccc1)COCCCc2ccccc2 7a_100000210828_100011352542 [1,0,0,0,0,0|0,0,3]=4 6 B20R2.2703 C(#Cc1ccccc1)COCCCc2ccccc2 7a_100011217464_100000211621 [1,0,0,0,0,0|0,0,3]=4 7 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2ccccc2 2230a_100000211184_100016265936 [1,0,0,0,0,0|1,0,1]=3 8 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2ccccc2 2230a_100020603302_100000211621 [1,0,0,0,0,0|1,0,1]=3 9 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2ccccc2 34a_100000211184_100016265936 [1,0,0,0,0,0|1,0,1]=3 10 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2ccccc2 34a_100020603302_100000211621 [1,0,0,0,0,0|1,0,1]=3 11 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2cccnc2 2230a_100011532358_100016265936 [1,0,0,0,0,0|2,0,1]=4 12 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2cccnc2 34a_100011532358_100016265936 [1,0,0,0,0,0|2,0,1]=4 13 B20R2.2703 C(=C/c1ccccc1)\CNCCCc2ccncc2 2230a_100011275580_100016265936 [1,0,0,0,0,0|2,0,1]=4 14 B20R2.2703 C(=C/c1ccccc1)\CNCCOc2ccccc2 2230a_100000174943_100016265936 [1,0,0,0,0,0|2,0,1]=4 15 B20R2.2703 C(=C/c1ccccc1)\CNCCOc2ccccc2 2230a_100020603302_100000184471 [1,0,0,0,0,0|2,0,1]=4 16 B20R2.2703 C(=C/c1ccccc1)\CNCCOc2ccccc2 270004a_100020603302_100000758736 [1,0,0,0,0,0|2,0,1]=4 17 B20R2.2703 C(=C/c1ccccc1)\CNCCOc2ccccc2 34a_100000174943_100016265936 [1,0,0,0,0,0|2,0,1]=4 18 B20R2.2703 C(=C/c1ccccc1)\CNCCOc2ccccc2 34a_100020603302_100000184471 [1,0,0,0,0,0|2,0,1]=4 19 B20R2.2703 C(=C/c1ccccc1)\CNCCSc2ccccc2 2230a_100000189519_100016265936 [1,0,0,0,0,0|2,0,1]=4 20 B20R2.2703 C(=C/c1ccccc1)\CNCCSc2ccccc2 2230a_100020603302_100000246102 [1,0,0,0,0,0|2,0,1]=4 21 B20R2.2703 C(=C/c1ccccc1)\CNCCSc2ccccc2 34a_100020603302_100000246102 [1,0,0,0,0,0|2,0,1]=4 22 B20R2.2703 C(=C/c1ccccc1)\CNCOCc2ccccc2 2230a_100020603302_100000763385 [1,0,0,0,0,0|2,0,1]=4 23 B20R2.2703 C(=C/c1ccccc1)\CNCOCc2ccccc2 34a_100020603302_100000763385 [1,0,0,0,0,0|2,0,1]=4 24 B20R2.2703 C(=C/c1ccccc1)\CNCSCc2ccccc2 2230a_100020603302_200011217039 [1,0,0,0,0,0|2,0,1]=4 25 B20R2.2703 C(=C/c1ccccc1)\CNCSCc2ccccc2 34a_100020603302_200011217039 [1,0,0,0,0,0|2,0,1]=4 26 B20R2.2703 C(=C/c1ccccc1)\COC/C=C/c2ccccc2 34a_100000210256_100016265936 [1,0,0,0,0,0|0,0,3]=4 27 B20R2.2703 C(=C/c1ccccc1)\COCCCc2ccccc2 34a_100000210256_100000211621 [1,0,0,0,0,0|0,0,1]=2 28 B20R2.2703 C(=C/c1ccccc1)\COCCCc2ccccc2 34a_100000210828_100016265936 [1,0,0,0,0,0|0,0,1]=2 29 B20R2.2703 C(=C/c1ccccc1)\COCCCc2ccccc2 7a_100000210828_100016265936 [1,0,0,0,0,0|0,0,1]=2 30 B20R2.2703 C(=C/c1ccccc1)\COCCCc2ccccn2 34a_100011215068_100016265936 [1,0,0,0,0,0|1,0,1]=3 31 B20R2.2703 C(=C/c1ccccc1)\COCCCc2cccnc2 34a_100000211284_100016265936 [1,0,0,0,0,0|1,0,1]=3 32 B20R2.2703 C(=C/c1ccccc1)\COCCCc2ccncc2 34a_100000210659_100016265936 [1,0,0,0,0,0|1,0,1]=3 33 B20R2.2703 C(=C/c1ccccc1)\COCCNc2ccccc2 34a_100000211345_100016265936 [1,0,0,0,0,0|1,0,1]=3 34 B20R2.2703 C(=C/c1ccccc1)\COCCNc2ccncc2 34a_200011243140_100016265936 [1,0,0,0,0,0|2,0,1]=4 35 B20R2.2703 C(=C/c1ccccc1)\COCCOc2ccccc2 34a_100000210256_100000184471 [1,0,0,0,0,0|1,0,1]=3 36 B20R2.2703 C(=C/c1ccccc1)\COCCOc2ccccc2 34a_100000210260_100016265936 [1,0,0,0,0,0|1,0,1]=3 37 B20R2.2703 C(=C/c1ccccc1)\COCCOc2ccccc2 7a_100000210260_100016265936 [1,0,0,0,0,0|1,0,1]=3 38 B20R2.2703 C(=C/c1ccccc1)\COCCSc2ccccc2 34a_100000210256_100000246102 [1,0,0,0,0,0|1,0,1]=3 39 B20R2.2703 C(=C/c1ccccc1)\COCCSc2ccccc2 7a_100000230494_100016265936 [1,0,0,0,0,0|1,0,1]=3 40 B20R2.2703 C(=C/c1ccccc1)\COCCSc2ccccn2 7a_100000156319_100016265936 [1,0,0,0,0,0|2,0,1]=4 41 B20R2.2703 C(=C/c1ccccc1)\COCOCc2ccccc2 34a_100000210256_100000763385 [1,0,0,0,0,0|1,0,1]=3 42 B20R2.2703 C(=C/c1ccccc1)\COCSCc2ccccc2 34a_100000210256_200011217039 [1,0,0,0,0,0|1,0,1]=3 43 B20R2.2703 C(=C/c1ccccc1)\CSCCOc2ccccc2 62a_100000184471_100016265936 [1,0,0,0,0,0|1,1,1]=4 44 B20R2.2703 C(=C/c1ccccc1)\CSCCOc2ccccc2 62a_100016265936_100000184471 [1,0,0,0,0,0|1,1,1]=4 45 B20R2.2703 C(=C/c1ccccc1)\CSCOCc2ccccc2 62a_100000763385_100016265936 [1,0,0,0,0,0|1,1,1]=4 46 B20R2.2703 C(=C/c1ccccc1)\CSCOCc2ccccc2 62a_100016265936_100000763385 [1,0,0,0,0,0|1,1,1]=4 47 B20R2.2703 C(=C/c1cccnc1)\COCCCc2ccccc2 34a_200102594124_100000211621 [1,0,0,0,0,0|1,0,1]=3 48 B20R2.2703 C(=C/c1cccnc1)\COCCOc2ccccc2 34a_200102594124_100000184471 [1,0,0,0,0,0|2,0,1]=4 49 B20R2.2703 C(=C/c1cccnc1)\COCCSc2ccccc2 34a_200102594124_100000246102 [1,0,0,0,0,0|2,0,1]=4 50 B20R2.2703 C(=C/c1cccnc1)\COCOCc2ccccc2 34a_200102594124_100000763385 [1,0,0,0,0,0|2,0,1]=4 51 B20R2.2703 C(=C/c1cccnc1)\COCSCc2ccccc2 34a_200102594124_200011217039 [1,0,0,0,0,0|2,0,1]=4 52 B20R2.2703 C(=Cc1ccccc1)C=NNCCc2ccccc2 4a_100000740470_100000210105 [1,0,0,0,0,0|2,0,0]=3 53 B20R2.2703 C(=Cc1ccccc1)CNCCCc2ccccc2 270004a_100000211184_100000210105 [1,0,0,0,0,0|1,0,1]=3 54 B20R2.2703 C(=Cc1ccccc1)CNCCCc2ccccn2 270004a_100000689020_100000210105 [1,0,0,0,0,0|2,0,1]=4 55 B20R2.2703 C(=Cc1ccccc1)CNCCCc2cccnc2 270004a_100011532358_100000210105 [1,0,0,0,0,0|2,0,1]=4 56 B20R2.2703 C(=Cc1ccccc1)CNCCCc2ccncc2 270004a_100011275580_100000210105 [1,0,0,0,0,0|2,0,1]=4 57 B20R2.2703 C(=Cc1ccccc1)CNCCOc2ccccc2 270004a_100000174943_100000210105 [1,0,0,0,0,0|2,0,1]=4 58 B20R2.2703 C(=Cc1ccccc1)CNCCSc2ccccc2 270004a_100000189519_100000210105 [1,0,0,0,0,0|2,0,1]=4 59 B20R2.2703 C(=Cc1ccncc1)C=NNCCc2ccccc2 4a_100000740470_100000703957 [1,0,0,0,0,0|3,0,0]=4 60 B20R2.2703 C1=CCC(=CC1)CCCOC/C=C/c2ccccc2 34a_100020667889_100016265936 [1,0,0,0,0,0|0,0,3]=4 61 B20R2.2703 c1ccc(cc1)CCCOCCCc2ccccc2 34a_100000210828_100000211621 [1,0,0,0,0,0|0,0,3]=4 62 B20R2.2703 c1ccc(cc1)CCCOCCCc2ccccc2 7a_100000210828_100000211621 [1,0,0,0,0,0|0,0,3]=4 63 B20R2.2703 c1ccc(cc1)CCCOCCNc2ccccc2 34a_100000211345_100000211621 [1,0,0,0,0,0|1,0,2]=4 64 B20R2.2703 c1ccc(cc1)CCCOCCOc2ccccc2 34a_100000210260_100000211621 [1,0,0,0,0,0|1,0,2]=4 65 B20R2.2703 c1ccc(cc1)CCCOCCOc2ccccc2 34a_100000210828_100000184471 [1,0,0,0,0,0|1,0,2]=4 66 B20R2.2703 c1ccc(cc1)CCCOCCOc2ccccc2 7a_100000210260_100000211621 [1,0,0,0,0,0|1,0,2]=4 67 B20R2.2703 c1ccc(cc1)CCCOCCOc2ccccc2 7a_100000210828_100000184471 [1,0,0,0,0,0|1,0,2]=4 68 B20R2.2703 c1ccc(cc1)CCCOCCSc2ccccc2 34a_100000210828_100000246102 [1,0,0,0,0,0|1,0,2]=4 69 B20R2.2703 c1ccc(cc1)CCCOCCSc2ccccc2 7a_100000210828_100000246102 [1,0,0,0,0,0|1,0,2]=4 70 B20R2.2703 c1ccc(cc1)CCCOCCSc2ccccc2 7a_100000230494_100000211621 [1,0,0,0,0,0|1,0,2]=4 71 B20R2.2703 c1ccc(cc1)CCCOCOCc2ccccc2 34a_100000210828_100000763385 [1,0,0,0,0,0|1,0,2]=4 72 B20R2.2703 c1ccc(cc1)CCCOCSCc2ccccc2 34a_100000210828_200011217039 [1,0,0,0,0,0|1,0,2]=4 73 B20R2.10810 C/C(=C\c1ccccc1)/COCCc2ccccc2 34a_200025717232_100000765856 [0,0,0,0,1,0|3,0,0]=4 74 B20R2.10810 C/C(=C\c1ccccc1)/COCCc2ccccc2 7a_200025717232_100000765856 [0,0,0,0,1,0|3,0,0]=4 75 B20R2.10810 CC(Cc1ccccc1)OCCCc2ccccc2 34a_100000210828_200011218536 [0,0,0,0,1,0|1,0,2]=4 76 B20R2.10810 CC(Cc1ccccc1)OCCCc2ccccc2 34a_100000748627_100000211621 [0,0,0,0,1,0|1,0,2]=4 77 B20R2.10810 CC(Cc1ccccc1)OCCCc2ccccc2 7a_100000210828_200011218536 [0,0,0,0,1,0|1,0,2]=4 78 B20R2.10810 CC(Cc1ccccc1)OCCCc2ccccc2 7a_100000748627_100000211621 [0,0,0,0,1,0|1,0,2]=4 79 B20R2.10810 O=C(C=CCCc1ccccc1)Cc2ccccc2 1458a_100016484021_100015291786 [0,0,0,0,1,0|1,0,2]=4 80 B20R2.10810 O=C(C=CCCc1ccccc1)Nc2ccccc2 11a_100000106764_100016484021 [0,0,0,0,1,0|2,0,1]=4 81 B20R2.10810 O=C(C=CCCc1ccccc1)Nc2ccccc2 1626a_100000106764_100016484021 [0,0,0,0,1,0|2,0,1]=4 82 B20R2.10810 O=C(C=CCCc1ccccc1)Nc2ccccc2 22a_100000106764_100016484021 [0,0,0,0,1,0|2,0,1]=4 83 B20R2.10810 O=C(CCCCc1ccccc1)C[n+]2ccccc2 1458a_200000086051_100000701786 [0,0,0,0,1,0|2,0,1]=4 84 B20R2.10810 O=C(CCCCc1ccccc1)Cc2ccccc2 1458a_100011215911_100015291786 [0,0,0,0,1,0|1,0,1]=3 85 B20R2.10810 O=C(CCCCc1ccccc1)Cc2ccccn2 1458a_100000233486_100000701786 [0,0,0,0,1,0|2,0,1]=4 86 B20R2.10810 O=C(CCCCc1ccccc1)Cc2ccccn2 1458a_100011215911_100000721315 [0,0,0,0,1,0|2,0,1]=4 87 B20R2.10810 O=C(CCCCc1ccccc1)Cc2cccnc2 1458a_100000737805_100000701786 [0,0,0,0,1,0|2,0,1]=4 88 B20R2.10810 O=C(CCCCc1ccccc1)Cc2cccnc2 1458a_100011215911_100000733263 [0,0,0,0,1,0|2,0,1]=4 89 B20R2.10810 O=C(CCCCc1ccccc1)Cc2ccncc2 1458a_100011215911_100000705612 [0,0,0,0,1,0|2,0,1]=4 90 B20R2.10810 O=C(CCCCc1ccccc1)Nc2ccccc2 11a_100000106764_100011215911 [0,0,0,0,1,0|2,0,0]=3 91 B20R2.10810 O=C(CCCCc1ccccc1)Nc2ccccc2 1626a_100000106764_100011215911 [0,0,0,0,1,0|2,0,0]=3 92 B20R2.10810 O=C(CCCCc1ccccc1)Nc2ccccc2 22a_100000106764_100011215911 [0,0,0,0,1,0|2,0,0]=3 93 B20R2.10810 O=C(CCCCc1ccccc1)Nc2ccccc2 527a_100000106764_100011215911 [0,0,0,0,1,0|2,0,0]=3 94 B20R2.10810 O=C(CCCNc1ccccc1)Nc2ccccc2 34a_100000106764_100011194425 [0,0,0,0,1,0|3,0,0]=4 95 B20R2.10810 O=C(CCCOc1ccccc1)Cc2ccccc2 1458a_100000212059_100015291786 [0,0,0,0,1,0|2,0,1]=4 96 B20R2.10810 O=C(CCCOc1ccccc1)Nc2ccccc2 11a_100000106764_100000212059 [0,0,0,0,1,0|3,0,0]=4 97 B20R2.10810 O=C(CCCOc1ccccc1)Nc2ccccc2 1626a_100000106764_100000212059 [0,0,0,0,1,0|3,0,0]=4 98 B20R2.10810 O=C(CCCOc1ccccc1)Nc2ccccc2 22a_100000106764_100000212059 [0,0,0,0,1,0|3,0,0]=4 99 B20R2.10810 O=C(CCCOc1ccccc1)Nc2ccccc2 34a_100000210340_100011194425 [0,0,0,0,1,0|3,0,0]=4 100 B20R2.10810 O=C(CCCOc1ccccc1)Nc2ccccc2 527a_100000106764_100000212059 [0,0,0,0,1,0|3,0,0]=4 101 B20R2.10810 O=C(CCCOc1ccccc1)Nc2ccccc2 7a_100000210340_100011194425 [0,0,0,0,1,0|3,0,0]=4 102 B20R2.10810 O=C(CCCSc1ccccc1)Cc2ccccc2 1458a_100000182835_100015291786 [0,0,0,0,1,0|2,0,1]=4 103 B20R2.10810 O=C(CCCSc1ccccc1)Nc2ccccc2 11a_100000106764_100000182835 [0,0,0,0,1,0|3,0,0]=4 104 B20R2.10810 O=C(CCCSc1ccccc1)Nc2ccccc2 1626a_100000106764_100000182835 [0,0,0,0,1,0|3,0,0]=4 105 B20R2.10810 O=C(CCCSc1ccccc1)Nc2ccccc2 22a_100000106764_100000182835 [0,0,0,0,1,0|3,0,0]=4 106 B20R2.10810 O=C(CCCSc1ccccc1)Nc2ccccc2 527a_100000106764_100000182835 [0,0,0,0,1,0|3,0,0]=4 107 B20R2.10810 O=C(CCCSc1ccccc1)Nc2ccccc2 62a_100000719477_100011194425 [0,0,0,0,1,0|3,0,0]=4 108 B20R2.10810 O=C(CCNCc1ccccc1)Nc2ccccc2 2230a_100015324214_100000242058 [0,0,0,0,1,0|3,0,0]=4 109 B20R2.10810 O=C(CCNCc1ccccc1)Nc2ccccc2 34a_100015324214_100000242058 [0,0,0,0,1,0|3,0,0]=4 110 B20R2.10810 O=C(CCNCc1ccccc1)Oc2ccccc2 2230a_100015324214_200000035796 [0,0,0,0,1,0|3,0,0]=4 111 B20R2.10810 O=C(CCOCc1ccccc1)Cc2ccccc2 1458a_100000743319_100015291786 [0,0,0,0,1,0|2,0,1]=4 112 B20R2.10810 O=C(CCOCc1ccccc1)Nc2ccccc2 11a_100000106764_100000743319 [0,0,0,0,1,0|3,0,0]=4 113 B20R2.10810 O=C(CCOCc1ccccc1)Nc2ccccc2 1626a_100000106764_100000743319 [0,0,0,0,1,0|3,0,0]=4 114 B20R2.10810 O=C(CCOCc1ccccc1)Nc2ccccc2 22a_100000106764_100000743319 [0,0,0,0,1,0|3,0,0]=4 115 B20R2.10810 O=C(CCOCc1ccccc1)Nc2ccccc2 34a_100000210790_100000242058 [0,0,0,0,1,0|3,0,0]=4 116 B20R2.10810 O=C(CCOCc1ccccc1)Nc2ccccc2 527a_100000106764_100000743319 [0,0,0,0,1,0|3,0,0]=4 117 B20R2.10810 O=C(CCOCc1ccccc1)Nc2ccccc2 7a_100000210790_100000242058 [0,0,0,0,1,0|3,0,0]=4 118 B20R2.10810 O=C(CCOCc1ccccc1)Oc2ccccc2 7a_100000210790_200000035796 [0,0,0,0,1,0|3,0,0]=4 119 B20R2.10810 O=C(CCSCc1ccccc1)Cc2ccccc2 1458a_100000173759_100015291786 [0,0,0,0,1,0|2,0,1]=4 120 B20R2.10810 O=C(CCSCc1ccccc1)Nc2ccccc2 11a_100000106764_100000173759 [0,0,0,0,1,0|3,0,0]=4 121 B20R2.10810 O=C(CCSCc1ccccc1)Nc2ccccc2 1626a_100000106764_100000173759 [0,0,0,0,1,0|3,0,0]=4 122 B20R2.10810 O=C(CCSCc1ccccc1)Nc2ccccc2 22a_100000106764_100000173759 [0,0,0,0,1,0|3,0,0]=4 123 B20R2.10810 O=C(CCSCc1ccccc1)Nc2ccccc2 527a_100000106764_100000173759 [0,0,0,0,1,0|3,0,0]=4 124 B20R2.10810 O=C(CCSCc1ccccc1)Nc2ccccc2 62a_100000211182_100000242058 [0,0,0,0,1,0|3,0,0]=4 125 B20R2.10810 O=C(CCSCc1ccccc1)Oc2ccccc2 62a_100000211182_200000035796 [0,0,0,0,1,0|3,0,0]=4 126 B20R2.10810 O=C(CNCCc1ccccc1)Cc2ccccc2 2230a_100000106460_100000233483 [0,0,0,0,1,0|2,0,1]=4 127 B20R2.10810 O=C(CNCCc1ccccc1)Nc2ccccc2 2230a_100000106460_100000182850 [0,0,0,0,1,0|3,0,0]=4 128 B20R2.10810 O=C(CNCCc1ccccc1)Nc2ccccc2 34a_100000106460_100000182850 [0,0,0,0,1,0|3,0,0]=4 129 B20R2.10810 O=C(CNCCc1ccccc1)Oc2ccccc2 2230a_100000106460_100009813826 [0,0,0,0,1,0|3,0,0]=4 130 B20R2.10810 O=C(CNCCc1ccccc1)Oc2ccccc2 34a_100000106460_100009813826 [0,0,0,0,1,0|3,0,0]=4 131 B20R2.10810 O=C(COCCc1ccccc1)Cc2ccccc2 7a_100000210268_100000233483 [0,0,0,0,1,0|2,0,1]=4 132 B20R2.10810 O=C(COCCc1ccccc1)Nc2ccccc2 34a_100000210268_100000182850 [0,0,0,0,1,0|3,0,0]=4 133 B20R2.10810 O=C(COCCc1ccccc1)Nc2ccccc2 34a_100000246334_100000765856 [0,0,0,0,1,0|3,0,0]=4 134 B20R2.10810 O=C(COCCc1ccccc1)Nc2ccccc2 7a_100000210268_100000182850 [0,0,0,0,1,0|3,0,0]=4 135 B20R2.10810 O=C(COCCc1ccccc1)Oc2ccccc2 34a_100000210268_100009813826 [0,0,0,0,1,0|3,0,0]=4 136 B20R2.10810 O=C(COCCc1ccccc1)Oc2ccccc2 7a_100000210268_100009813826 [0,0,0,0,1,0|3,0,0]=4 137 B20R2.10810 O=C(CSCCc1ccccc1)Cc2ccccc2 62a_100000233483_100011218657 [0,0,0,0,1,0|2,0,1]=4 138 B20R2.10810 O=C(CSCCc1ccccc1)Cc2ccccc2 62a_100000765856_100000233483 [0,0,0,0,1,0|2,0,1]=4 139 B20R2.10810 O=C(CSCCc1ccccc1)Nc2ccccc2 62a_100000765856_100000182850 [0,0,0,0,1,0|3,0,0]=4 140 B20R2.10810 O=C(CSCCc1ccccc1)Nc2ccccc2 62a_100012148978_100011218657 [0,0,0,0,1,0|3,0,0]=4 141 B20R2.10810 O=C(CSCCc1ccccc1)Oc2ccccc2 62a_100000765856_100009813826 [0,0,0,0,1,0|3,0,0]=4 142 B20R2.10810 O=C(CSCCc1ccccc1)Oc2ccccc2 62a_100009813826_100011218657 [0,0,0,0,1,0|3,0,0]=4 143 B20R2.10810 O=C(C[n+]1ccccc1)NCCCc2ccccc2 11a_100000211184_200000086051 [0,0,0,0,1,0|2,0,1]=4 144 B20R2.10810 O=C(C[n+]1ccccc1)NCCCc2ccccc2 240690a_100000211184_200000086051 [0,0,0,0,1,0|2,0,1]=4 145 B20R2.10810 O=C(C[n+]1ccccc1)NCCCc2ccccc2 527a_100000211184_200000086051 [0,0,0,0,1,0|2,0,1]=4 146 B20R2.10810 O=C(Cc1ccccn1)NCCCc2ccccc2 11a_100000211184_100000233486 [0,0,0,0,1,0|2,0,1]=4 147 B20R2.10810 O=C(Cc1cccnc1)NCCCc2ccccc2 11a_100000211184_100000737805 [0,0,0,0,1,0|2,0,1]=4 148 B20R2.10810 O=C(Cc1cccnc1)NCCCc2ccccc2 240690a_100000211184_100000737805 [0,0,0,0,1,0|2,0,1]=4 149 B20R2.10810 O=C(Cc1cccnc1)NCCCc2ccccc2 527a_100000211184_100000737805 [0,0,0,0,1,0|2,0,1]=4 150 B20R2.10810 O=C(Cc1ccncc1)NCCCc2ccccc2 11a_100000211184_100011201483 [0,0,0,0,1,0|2,0,1]=4 151 B20R2.10810 O=C(Cc1ccncc1)NCCCc2ccccc2 240690a_100000211184_100011201483 [0,0,0,0,1,0|2,0,1]=4 152 B20R2.10810 O=C(NCCCc1ccccc1)Nc2ccccc2 2430a_100000106764_100000211184 [0,0,0,0,1,0|2,0,0]=3 153 B20R2.10810 O=C(NCCCc1ccccn1)Nc2ccccc2 2430a_100000106764_100000689020 [0,0,0,0,1,0|3,0,0]=4 154 B20R2.10810 O=C(NCCCc1cccnc1)Nc2ccccc2 2430a_100000106764_100011532358 [0,0,0,0,1,0|3,0,0]=4 155 B20R2.10810 O=C(NCCCc1ccncc1)Nc2ccccc2 2430a_100000106764_100011275580 [0,0,0,0,1,0|3,0,0]=4 156 B20R2.10810 O=C(NCCOc1ccccc1)Nc2ccccc2 2430a_100000106764_100000174943 [0,0,0,0,1,0|3,0,0]=4 157 B20R2.10810 O=C(NCCSc1ccccc1)Nc2ccccc2 2430a_100000106764_100000189519 [0,0,0,0,1,0|3,0,0]=4 158 B20R2.174710 O=C(C=Cc1c[nH]cn1)CCCCc2ccccc2 1458a_100102678534_100000701786 [0,0,0,0,1,0|3,0,0]=4 159 B20R2.174710 O=C(C=Cc1c[nH]cn1)NCCCc2ccccc2 240690a_100000211184_100102678534 [0,0,0,0,1,0|3,0,0]=4 160 B20R2.174710 O=C(C=Cc1ccco1)NNCCc2ccccc2 22a_100000740470_100000720202 [0,0,0,0,1,0|3,0,0]=4 161 B20R2.174710 O=C(C=Cc1cccs1)CCCCc2ccccc2 1458a_100000182767_100000701786 [0,0,0,0,1,0|2,0,0]=3 162 B20R2.174710 O=C(C=Cc1cccs1)CCCCc2ccncc2 1458a_100000182767_100020630000 [0,0,0,0,1,0|3,0,0]=4 163 B20R2.174710 O=C(C=Cc1cccs1)CCCOc2ccccc2 1458a_100000182767_100000199009 [0,0,0,0,1,0|3,0,0]=4 164 B20R2.174710 O=C(C=Cc1cccs1)CCCSc2ccccc2 1458a_100000182767_200011203293 [0,0,0,0,1,0|3,0,0]=4 165 B20R2.174710 O=C(C=Cc1cccs1)CCOCc2ccccc2 1458a_100000182767_100000234347 [0,0,0,0,1,0|3,0,0]=4 166 B20R2.174710 O=C(C=Cc1cccs1)CCSCc2ccccc2 1458a_100000182767_200011297719 [0,0,0,0,1,0|3,0,0]=4 167 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccccc2 11a_100000211184_100000182767 [0,0,0,0,1,0|2,0,0]=3 168 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccccc2 1626a_100000211184_100000182767 [0,0,0,0,1,0|2,0,0]=3 169 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccccc2 240690a_100000211184_100000182767 [0,0,0,0,1,0|2,0,0]=3 170 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccccn2 11a_100000689020_100000182767 [0,0,0,0,1,0|3,0,0]=4 171 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccccn2 1626a_100000689020_100000182767 [0,0,0,0,1,0|3,0,0]=4 172 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccccn2 240690a_100000689020_100000182767 [0,0,0,0,1,0|3,0,0]=4 173 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2cccnc2 11a_100011532358_100000182767 [0,0,0,0,1,0|3,0,0]=4 174 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2cccnc2 240690a_100011532358_100000182767 [0,0,0,0,1,0|3,0,0]=4 175 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccncc2 1626a_100011275580_100000182767 [0,0,0,0,1,0|3,0,0]=4 176 B20R2.174710 O=C(C=Cc1cccs1)NCCCc2ccncc2 240690a_100011275580_100000182767 [0,0,0,0,1,0|3,0,0]=4 177 B20R2.174710 O=C(C=Cc1cccs1)NCCOc2ccccc2 11a_100000174943_100000182767 [0,0,0,0,1,0|3,0,0]=4 178 B20R2.174710 O=C(C=Cc1cccs1)NCCOc2ccccc2 1626a_100000174943_100000182767 [0,0,0,0,1,0|3,0,0]=4 179 B20R2.174710 O=C(C=Cc1cccs1)NCCOc2ccccc2 240690a_100000174943_100000182767 [0,0,0,0,1,0|3,0,0]=4 180 B20R2.174710 O=C(C=Cc1cccs1)NCCSc2ccccc2 240690a_100000189519_100000182767 [0,0,0,0,1,0|3,0,0]=4 181 B20R2.174710 O=C(C=Cc1cccs1)NNCCc2ccccc2 22a_100000740470_100000182767 [0,0,0,0,1,0|3,0,0]=4 182 B20R2.174710 O=C(C=Cc1ccoc1)CCCCc2ccccc2 1458a_100000238621_100000701786 [0,0,0,0,1,0|2,0,0]=3 183 B20R2.174710 O=C(C=Cc1ccoc1)CCCCc2ccncc2 1458a_100000238621_100020630000 [0,0,0,0,1,0|3,0,0]=4 184 B20R2.174710 O=C(C=Cc1ccoc1)CCCOc2ccccc2 1458a_100000238621_100000199009 [0,0,0,0,1,0|3,0,0]=4 185 B20R2.174710 O=C(C=Cc1ccoc1)CCCSc2ccccc2 1458a_100000238621_200011203293 [0,0,0,0,1,0|3,0,0]=4 186 B20R2.174710 O=C(C=Cc1ccoc1)CCOCc2ccccc2 1458a_100000238621_100000234347 [0,0,0,0,1,0|3,0,0]=4 187 B20R2.174710 O=C(C=Cc1ccoc1)CCSCc2ccccc2 1458a_100000238621_200011297719 [0,0,0,0,1,0|3,0,0]=4 188 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccccc2 11a_100000211184_100000238621 [0,0,0,0,1,0|2,0,0]=3 189 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccccc2 1626a_100000211184_100000238621 [0,0,0,0,1,0|2,0,0]=3 190 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccccc2 240690a_100000211184_100000238621 [0,0,0,0,1,0|2,0,0]=3 191 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccccn2 11a_100000689020_100000238621 [0,0,0,0,1,0|3,0,0]=4 192 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccccn2 1626a_100000689020_100000238621 [0,0,0,0,1,0|3,0,0]=4 193 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccccn2 240690a_100000689020_100000238621 [0,0,0,0,1,0|3,0,0]=4 194 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2cccnc2 11a_100011532358_100000238621 [0,0,0,0,1,0|3,0,0]=4 195 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2cccnc2 240690a_100011532358_100000238621 [0,0,0,0,1,0|3,0,0]=4 196 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccncc2 1626a_100011275580_100000238621 [0,0,0,0,1,0|3,0,0]=4 197 B20R2.174710 O=C(C=Cc1ccoc1)NCCCc2ccncc2 240690a_100011275580_100000238621 [0,0,0,0,1,0|3,0,0]=4 198 B20R2.174710 O=C(C=Cc1ccoc1)NCCOc2ccccc2 11a_100000174943_100000238621 [0,0,0,0,1,0|3,0,0]=4 199 B20R2.174710 O=C(C=Cc1ccoc1)NCCOc2ccccc2 1626a_100000174943_100000238621 [0,0,0,0,1,0|3,0,0]=4 200 B20R2.174710 O=C(C=Cc1ccoc1)NCCOc2ccccc2 240690a_100000174943_100000238621 [0,0,0,0,1,0|3,0,0]=4 201 B20R2.174710 O=C(C=Cc1ccoc1)NCCSc2ccccc2 240690a_100000189519_100000238621 [0,0,0,0,1,0|3,0,0]=4 202 B20R2.174710 O=C(C=Cc1ccoc1)NNCCc2ccccc2 22a_100000740470_100000238621 [0,0,0,0,1,0|3,0,0]=4 203 B20R2.174710 O=C(C=Cc1ccsc1)CCCCc2ccccc2 1458a_100000698588_100000701786 [0,0,0,0,1,0|2,0,0]=3 204 B20R2.174710 O=C(C=Cc1ccsc1)CCCCc2ccncc2 1458a_100000698588_100020630000 [0,0,0,0,1,0|3,0,0]=4 205 B20R2.174710 O=C(C=Cc1ccsc1)CCCOc2ccccc2 1458a_100000698588_100000199009 [0,0,0,0,1,0|3,0,0]=4 206 B20R2.174710 O=C(C=Cc1ccsc1)CCCSc2ccccc2 1458a_100000698588_200011203293 [0,0,0,0,1,0|3,0,0]=4 207 B20R2.174710 O=C(C=Cc1ccsc1)CCOCc2ccccc2 1458a_100000698588_100000234347 [0,0,0,0,1,0|3,0,0]=4 208 B20R2.174710 O=C(C=Cc1ccsc1)CCSCc2ccccc2 1458a_100000698588_200011297719 [0,0,0,0,1,0|3,0,0]=4 209 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccc2 11a_100000211184_100000698588 [0,0,0,0,1,0|2,0,0]=3 210 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccc2 1626a_100000211184_100000698588 [0,0,0,0,1,0|2,0,0]=3 211 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccc2 240690a_100000211184_100000698588 [0,0,0,0,1,0|2,0,0]=3 212 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccc2 527a_100000211184_100000698588 [0,0,0,0,1,0|2,0,0]=3 213 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccn2 11a_100000689020_100000698588 [0,0,0,0,1,0|3,0,0]=4 214 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccn2 1626a_100000689020_100000698588 [0,0,0,0,1,0|3,0,0]=4 215 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccn2 240690a_100000689020_100000698588 [0,0,0,0,1,0|3,0,0]=4 216 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccccn2 527a_100000689020_100000698588 [0,0,0,0,1,0|3,0,0]=4 217 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2cccnc2 11a_100011532358_100000698588 [0,0,0,0,1,0|3,0,0]=4 218 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2cccnc2 240690a_100011532358_100000698588 [0,0,0,0,1,0|3,0,0]=4 219 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccncc2 1626a_100011275580_100000698588 [0,0,0,0,1,0|3,0,0]=4 220 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccncc2 240690a_100011275580_100000698588 [0,0,0,0,1,0|3,0,0]=4 221 B20R2.174710 O=C(C=Cc1ccsc1)NCCCc2ccncc2 527a_100011275580_100000698588 [0,0,0,0,1,0|3,0,0]=4 222 B20R2.174710 O=C(C=Cc1ccsc1)NCCOc2ccccc2 11a_100000174943_100000698588 [0,0,0,0,1,0|3,0,0]=4 223 B20R2.174710 O=C(C=Cc1ccsc1)NCCOc2ccccc2 1626a_100000174943_100000698588 [0,0,0,0,1,0|3,0,0]=4 224 B20R2.174710 O=C(C=Cc1ccsc1)NCCOc2ccccc2 240690a_100000174943_100000698588 [0,0,0,0,1,0|3,0,0]=4 225 B20R2.174710 O=C(C=Cc1ccsc1)NCCOc2ccccc2 527a_100000174943_100000698588 [0,0,0,0,1,0|3,0,0]=4 226 B20R2.174710 O=C(C=Cc1ccsc1)NCCSc2ccccc2 240690a_100000189519_100000698588 [0,0,0,0,1,0|3,0,0]=4 227 B20R2.174710 O=C(C=Cc1ccsc1)NCCSc2ccccc2 527a_100000189519_100000698588 [0,0,0,0,1,0|3,0,0]=4 228 B20R2.174710 O=C(C=Cc1ccsc1)NNCCc2ccccc2 22a_100000740470_100000698588 [0,0,0,0,1,0|3,0,0]=4 229 B20R2.174710 O=C(C=Cc1cscn1)CCCCc2ccccc2 1458a_200000747928_100000701786 [0,0,0,0,1,0|3,0,0]=4 230 B20R2.174710 O=C(C=Cc1cscn1)NCCCc2ccccc2 11a_100000211184_200000747928 [0,0,0,0,1,0|3,0,0]=4 231 B20R2.174710 O=C(C=Cc1cscn1)NCCCc2ccccc2 1626a_100000211184_200000747928 [0,0,0,0,1,0|3,0,0]=4 232 B20R2.174710 O=C(C=Cc1cscn1)NCCCc2ccccc2 240690a_100000211184_200000747928 [0,0,0,0,1,0|3,0,0]=4 233 B20R2.174710 O=C(C=Cc1nccs1)CCCCc2ccccc2 1458a_100102558208_100000701786 [0,0,0,0,1,0|3,0,0]=4 234 B20R2.174710 O=C(C=Cc1nccs1)CCCCc2ccccc2 6a_100000750902_200011485782 [0,0,0,0,1,0|3,0,0]=4 235 B20R2.174710 O=C(C=Cc1nccs1)NCCCc2ccccc2 11a_100000211184_100102558208 [0,0,0,0,1,0|3,0,0]=4 236 B20R2.174710 O=C(C=Cc1nccs1)NCCCc2ccccc2 240690a_100000211184_100102558208 [0,0,0,0,1,0|3,0,0]=4 237 B20R2.174715 O=C(C=Cc1ccccc1)NCCCn2cccn2 11a_100000737576_100000210462 [0,0,0,0,1,0|3,0,0]=4 238 B20R2.174735 CC(=NNCc1ccccc1)C=Cc2ccccc2 4a_100000007032_100000204604 [0,0,0,0,1,0|3,0,0]=4 239 B20R2.174735 O=C(C#Cc1ccccc1)CCCc2ccccc2 1458a_100000736102_100000211621 [0,0,0,0,1,0|0,0,2]=3 240 B20R2.174735 O=C(C#Cc1ccccc1)CCOc2ccccc2 1458a_100000736102_100000184471 [0,0,0,0,1,0|1,0,2]=4 241 B20R2.174735 O=C(C#Cc1ccccc1)CCSc2ccccc2 1458a_100000736102_100000246102 [0,0,0,0,1,0|1,0,2]=4 242 B20R2.174735 O=C(C#Cc1ccccc1)CSCc2ccccc2 1458a_100000736102_200011217039 [0,0,0,0,1,0|1,0,2]=4 243 B20R2.174735 O=C(C#Cc1ccccc1)NCCc2ccccc2 240690a_100000106460_100000736102 [0,0,0,0,1,0|1,0,2]=4 244 B20R2.174735 O=C(C#Cc1ccccn1)CCCc2ccccc2 1458a_102125277312_100000211621 [0,0,0,0,1,0|1,0,2]=4 245 B20R2.174735 O=C(C=Cc1ccccc1)C/C=C/c2ccccc2 1458a_100000210462_100016265936 [0,0,0,0,1,0|0,0,2]=3 246 B20R2.174735 O=C(C=Cc1ccccc1)CC#Cc2ccccc2 1458a_100000210462_100011352542 [0,0,0,0,1,0|0,0,2]=3 247 B20R2.174735 O=C(C=Cc1ccccc1)CCCc2ccccc2 1458a_100000210462_100000211621 [0,0,0,0,1,0|0,0,0]=1 248 B20R2.174735 O=C(C=Cc1ccccc1)CCOc2ccccc2 1458a_100000210462_100000184471 [0,0,0,0,1,0|1,0,0]=2 249 B20R2.174735 O=C(C=Cc1ccccc1)CCSc2ccccc2 1458a_100000210462_100000246102 [0,0,0,0,1,0|1,0,0]=2 250 B20R2.174735 O=C(C=Cc1ccccc1)CSCc2ccccc2 1458a_100000210462_200011217039 [0,0,0,0,1,0|1,0,0]=2 251 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2ccccc2 11a_100000106460_100000210462 [0,0,0,0,1,0|1,0,0]=2 252 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2ccccc2 1626a_100000106460_100000210462 [0,0,0,0,1,0|1,0,0]=2 253 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2ccccn2 11a_100000211156_100000210462 [0,0,0,0,1,0|2,0,0]=3 254 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2ccccn2 1626a_100000211156_100000210462 [0,0,0,0,1,0|2,0,0]=3 255 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2cccnc2 11a_100000736294_100000210462 [0,0,0,0,1,0|2,0,0]=3 256 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2cccnc2 1626a_100000736294_100000210462 [0,0,0,0,1,0|2,0,0]=3 257 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2ccncc2 11a_100000742849_100000210462 [0,0,0,0,1,0|2,0,0]=3 258 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2ccncc2 1626a_100000742849_100000210462 [0,0,0,0,1,0|2,0,0]=3 259 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2cnccn2 11a_100000723456_100000210462 [0,0,0,0,1,0|3,0,0]=4 260 B20R2.174735 O=C(C=Cc1ccccc1)NCCc2cnccn2 1626a_100000723456_100000210462 [0,0,0,0,1,0|3,0,0]=4 261 B20R2.174735 O=C(C=Cc1ccccc1)NNCc2ccccc2 22a_100000007032_100000210462 [0,0,0,0,1,0|2,0,0]=3 262 B20R2.174735 O=C(C=Cc1ccccc1)NNCc2ccccn2 22a_100000736832_100000210462 [0,0,0,0,1,0|3,0,0]=4 263 B20R2.174735 O=C(C=Cc1ccccc1)NNCc2cccnc2 22a_100000738295_100000210462 [0,0,0,0,1,0|3,0,0]=4 264 B20R2.174735 O=C(C=Cc1ccccc1)NNCc2ccncc2 22a_100000736929_100000210462 [0,0,0,0,1,0|3,0,0]=4 265 B20R2.174735 O=C(C=Cc1ccccn1)C/C=C/c2ccccc2 1458a_100000740811_100016265936 [0,0,0,0,1,0|1,0,2]=4 266 B20R2.174735 O=C(C=Cc1ccccn1)CC#Cc2ccccc2 1458a_100000740811_100011352542 [0,0,0,0,1,0|1,0,2]=4 267 B20R2.174735 O=C(C=Cc1ccccn1)CCCc2ccccc2 1458a_100000740811_100000211621 [0,0,0,0,1,0|1,0,0]=2 268 B20R2.174735 O=C(C=Cc1ccccn1)CCOc2ccccc2 1458a_100000740811_100000184471 [0,0,0,0,1,0|2,0,0]=3 269 B20R2.174735 O=C(C=Cc1ccccn1)CCSc2ccccc2 1458a_100000740811_100000246102 [0,0,0,0,1,0|2,0,0]=3 270 B20R2.174735 O=C(C=Cc1ccccn1)CSCc2ccccc2 1458a_100000740811_200011217039 [0,0,0,0,1,0|2,0,0]=3 271 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2ccccc2 11a_100000106460_100000740811 [0,0,0,0,1,0|2,0,0]=3 272 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2ccccc2 240690a_100000106460_100000740811 [0,0,0,0,1,0|2,0,0]=3 273 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2ccccn2 11a_100000211156_100000740811 [0,0,0,0,1,0|3,0,0]=4 274 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2ccccn2 240690a_100000211156_100000740811 [0,0,0,0,1,0|3,0,0]=4 275 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2cccnc2 11a_100000736294_100000740811 [0,0,0,0,1,0|3,0,0]=4 276 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2cccnc2 240690a_100000736294_100000740811 [0,0,0,0,1,0|3,0,0]=4 277 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2ccncc2 11a_100000742849_100000740811 [0,0,0,0,1,0|3,0,0]=4 278 B20R2.174735 O=C(C=Cc1ccccn1)NCCc2ccncc2 240690a_100000742849_100000740811 [0,0,0,0,1,0|3,0,0]=4 279 B20R2.174735 O=C(C=Cc1ccccn1)NNCc2ccccc2 22a_100000007032_100000740811 [0,0,0,0,1,0|3,0,0]=4 280 B20R2.174735 O=C(C=Cc1cccnc1)C/C=C/c2ccccc2 1458a_100000735890_100016265936 [0,0,0,0,1,0|1,0,2]=4 281 B20R2.174735 O=C(C=Cc1cccnc1)CC#Cc2ccccc2 1458a_100000735890_100011352542 [0,0,0,0,1,0|1,0,2]=4 282 B20R2.174735 O=C(C=Cc1cccnc1)CCCc2ccccc2 1458a_100000735890_100000211621 [0,0,0,0,1,0|1,0,0]=2 283 B20R2.174735 O=C(C=Cc1cccnc1)CCOc2ccccc2 1458a_100000735890_100000184471 [0,0,0,0,1,0|2,0,0]=3 284 B20R2.174735 O=C(C=Cc1cccnc1)CCSc2ccccc2 1458a_100000735890_100000246102 [0,0,0,0,1,0|2,0,0]=3 285 B20R2.174735 O=C(C=Cc1cccnc1)CSCc2ccccc2 1458a_100000735890_200011217039 [0,0,0,0,1,0|2,0,0]=3 286 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2ccccc2 11a_100000106460_100000735890 [0,0,0,0,1,0|2,0,0]=3 287 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2ccccc2 240690a_100000106460_100000735890 [0,0,0,0,1,0|2,0,0]=3 288 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2ccccn2 11a_100000211156_100000735890 [0,0,0,0,1,0|3,0,0]=4 289 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2ccccn2 240690a_100000211156_100000735890 [0,0,0,0,1,0|3,0,0]=4 290 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2cccnc2 11a_100000736294_100000735890 [0,0,0,0,1,0|3,0,0]=4 291 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2cccnc2 240690a_100000736294_100000735890 [0,0,0,0,1,0|3,0,0]=4 292 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2ccncc2 11a_100000742849_100000735890 [0,0,0,0,1,0|3,0,0]=4 293 B20R2.174735 O=C(C=Cc1cccnc1)NCCc2ccncc2 240690a_100000742849_100000735890 [0,0,0,0,1,0|3,0,0]=4 294 B20R2.174735 O=C(C=Cc1cccnc1)NNCc2ccccc2 22a_100000007032_100000735890 [0,0,0,0,1,0|3,0,0]=4 295 B20R2.174735 O=C(C=Cc1ccncc1)C/C=C/c2ccccc2 1458a_100000682801_100016265936 [0,0,0,0,1,0|1,0,2]=4 296 B20R2.174735 O=C(C=Cc1ccncc1)CC#Cc2ccccc2 1458a_100000682801_100011352542 [0,0,0,0,1,0|1,0,2]=4 297 B20R2.174735 O=C(C=Cc1ccncc1)CCCc2ccccc2 1458a_100000682801_100000211621 [0,0,0,0,1,0|1,0,0]=2 298 B20R2.174735 O=C(C=Cc1ccncc1)CCOc2ccccc2 1458a_100000682801_100000184471 [0,0,0,0,1,0|2,0,0]=3 299 B20R2.174735 O=C(C=Cc1ccncc1)CCSc2ccccc2 1458a_100000682801_100000246102 [0,0,0,0,1,0|2,0,0]=3 300 B20R2.174735 O=C(C=Cc1ccncc1)CSCc2ccccc2 1458a_100000682801_200011217039 [0,0,0,0,1,0|2,0,0]=3 301 B20R2.174735 O=C(C=Cc1ccncc1)NCCc2ccccc2 240690a_100000106460_100000682801 [0,0,0,0,1,0|2,0,0]=3 302 B20R2.174735 O=C(C=Cc1ccncc1)NCCc2ccccn2 240690a_100000211156_100000682801 [0,0,0,0,1,0|3,0,0]=4 303 B20R2.174735 O=C(C=Cc1ccncc1)NCCc2cccnc2 240690a_100000736294_100000682801 [0,0,0,0,1,0|3,0,0]=4 304 B20R2.174735 O=C(C=Cc1ccncc1)NCCc2ccncc2 240690a_100000742849_100000682801 [0,0,0,0,1,0|3,0,0]=4 305 B20R2.174735 O=C(C=Cc1ccncc1)NNCc2ccccc2 22a_100000007032_100000682801 [0,0,0,0,1,0|3,0,0]=4 306 B20R2.174735 O=C(C=Cc1cncnc1)COCc2ccccc2 6a_100000749868_100011215004 [0,0,0,0,1,0|3,0,0]=4 307 B20R2.174735 O=C(C=Cc1cncnc1)CSCc2ccccc2 6a_100000749868_100000172147 [0,0,0,0,1,0|3,0,0]=4 308 B20R2.174735 O=C(CCCc1ccccc1)CCc2ccccc2 1458a_100000185753_100000211621 [0,0,0,0,1,0|0,0,2]=3 309 B20R2.174735 O=C(CCCc1ccccc1)CCc2ccccc2 1458a_100011207963_100000765856 [0,0,0,0,1,0|0,0,2]=3 310 B20R2.174735 O=C(CCCc1ccccc1)CCc2ccccn2 1458a_100011207963_100015183660 [0,0,0,0,1,0|1,0,2]=4 311 B20R2.174735 O=C(CCCc1ccccc1)CCc2ccccn2 1458a_100015195070_100000211621 [0,0,0,0,1,0|1,0,2]=4 312 B20R2.174735 O=C(CCCc1ccccc1)CCc2cccnc2 1458a_100000198484_100000211621 [0,0,0,0,1,0|1,0,2]=4 313 B20R2.174735 O=C(CCCc1ccccc1)CCc2cccnc2 1458a_100011207963_200011713674 [0,0,0,0,1,0|1,0,2]=4 314 B20R2.174735 O=C(CCCc1ccccc1)CCc2ccncc2 1458a_100011207963_100000723409 [0,0,0,0,1,0|1,0,2]=4 315 B20R2.174735 O=C(CCCc1ccccc1)CCc2ccncc2 1458a_100011225043_100000211621 [0,0,0,0,1,0|1,0,2]=4 316 B20R2.174735 O=C(CCCc1ccccc1)COc2ccccc2 1458a_100000186222_100000211621 [0,0,0,0,1,0|1,0,1]=3 317 B20R2.174735 O=C(CCCc1ccccc1)COc2ccccn2 1458a_100102699861_100000211621 [0,0,0,0,1,0|2,0,1]=4 318 B20R2.174735 O=C(CCCc1ccccc1)COc2cccnc2 1458a_100015207166_100000211621 [0,0,0,0,1,0|2,0,1]=4 319 B20R2.174735 O=C(CCCc1ccccc1)CSc2ccccc2 1458a_100000211596_100000211621 [0,0,0,0,1,0|1,0,1]=3 320 B20R2.174735 O=C(CCCc1ccccc1)CSc2ccccn2 1458a_100000156281_100000211621 [0,0,0,0,1,0|2,0,1]=4 321 B20R2.174735 O=C(CCCc1ccccc1)CSc2ccncc2 1458a_100000211328_100000211621 [0,0,0,0,1,0|2,0,1]=4 322 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccc2 11a_100015324214_100011207963 [0,0,0,0,1,0|1,0,1]=3 323 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccc2 1626a_100015324214_100011207963 [0,0,0,0,1,0|1,0,1]=3 324 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccc2 240690a_100015324214_100011207963 [0,0,0,0,1,0|1,0,1]=3 325 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccc2 527a_100015324214_100011207963 [0,0,0,0,1,0|1,0,1]=3 326 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccn2 11a_100000210449_100011207963 [0,0,0,0,1,0|2,0,1]=4 327 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccn2 1626a_100000210449_100011207963 [0,0,0,0,1,0|2,0,1]=4 328 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccn2 240690a_100000210449_100011207963 [0,0,0,0,1,0|2,0,1]=4 329 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccccn2 527a_100000210449_100011207963 [0,0,0,0,1,0|2,0,1]=4 330 B20R2.174735 O=C(CCCc1ccccc1)NCc2cccnc2 11a_100000210453_100011207963 [0,0,0,0,1,0|2,0,1]=4 331 B20R2.174735 O=C(CCCc1ccccc1)NCc2cccnc2 240690a_100000210453_100011207963 [0,0,0,0,1,0|2,0,1]=4 332 B20R2.174735 O=C(CCCc1ccccc1)NCc2cccnc2 527a_100000210453_100011207963 [0,0,0,0,1,0|2,0,1]=4 333 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccncc2 11a_100000210450_100011207963 [0,0,0,0,1,0|2,0,1]=4 334 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccncc2 1626a_100000210450_100011207963 [0,0,0,0,1,0|2,0,1]=4 335 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccncc2 240690a_100000210450_100011207963 [0,0,0,0,1,0|2,0,1]=4 336 B20R2.174735 O=C(CCCc1ccccc1)NCc2ccncc2 527a_100000210450_100011207963 [0,0,0,0,1,0|2,0,1]=4 337 B20R2.174735 O=C(CCCc1ccccc1)NNc2ccccc2 22a_100015195140_100011207963 [0,0,0,0,1,0|2,0,0]=3 338 B20R2.174735 O=C(CCCc1ccccc1)NNc2ccccn2 22a_100000183288_100011207963 [0,0,0,0,1,0|3,0,0]=4 339 B20R2.174735 O=C(CCCc1ccccc1)NNc2cccnc2 22a_100000728903_100011207963 [0,0,0,0,1,0|3,0,0]=4 340 B20R2.174735 O=C(CCCc1ccccc1)NNc2ccncc2 22a_100000698918_100011207963 [0,0,0,0,1,0|3,0,0]=4 341 B20R2.174735 O=C(CCCc1ccccn1)CCc2ccccc2 1458a_100000752327_100000765856 [0,0,0,0,1,0|1,0,2]=4 342 B20R2.174735 O=C(CCCc1ccccn1)NCc2ccccc2 11a_100015324214_100000752327 [0,0,0,0,1,0|2,0,1]=4 343 B20R2.174735 O=C(CCCc1ccccn1)NCc2ccccc2 1626a_100015324214_100000752327 [0,0,0,0,1,0|2,0,1]=4 344 B20R2.174735 O=C(CCCc1ccccn1)NCc2ccccc2 240690a_100015324214_100000752327 [0,0,0,0,1,0|2,0,1]=4 345 B20R2.174735 O=C(CCCc1ccccn1)NCc2ccccc2 527a_100015324214_100000752327 [0,0,0,0,1,0|2,0,1]=4 346 B20R2.174735 O=C(CCCc1ccccn1)NNc2ccccc2 22a_100015195140_100000752327 [0,0,0,0,1,0|3,0,0]=4 347 B20R2.174735 O=C(CCCc1ccncc1)CCc2ccccc2 1458a_100020654287_100000765856 [0,0,0,0,1,0|1,0,2]=4 348 B20R2.174735 O=C(CCCc1ccncc1)NCc2ccccc2 11a_100015324214_100020654287 [0,0,0,0,1,0|2,0,1]=4 349 B20R2.174735 O=C(CCCc1ccncc1)NCc2ccccc2 1626a_100015324214_100020654287 [0,0,0,0,1,0|2,0,1]=4 350 B20R2.174735 O=C(CCCc1ccncc1)NCc2ccccc2 240690a_100015324214_100020654287 [0,0,0,0,1,0|2,0,1]=4 351 B20R2.174735 O=C(CCCc1ccncc1)NCc2ccccc2 527a_100015324214_100020654287 [0,0,0,0,1,0|2,0,1]=4 352 B20R2.174735 O=C(CCCc1ccncc1)NNc2ccccc2 22a_100015195140_100020654287 [0,0,0,0,1,0|3,0,0]=4 353 B20R2.174735 O=C(CCOc1ccccc1)CCc2ccccc2 1458a_100000182761_100000765856 [0,0,0,0,1,0|1,0,2]=4 354 B20R2.174735 O=C(CCOc1ccccc1)CCc2ccccc2 1458a_100000185753_100000184471 [0,0,0,0,1,0|1,0,2]=4 355 B20R2.174735 O=C(CCOc1ccccc1)COc2ccccc2 1458a_100000186222_100000184471 [0,0,0,0,1,0|2,0,1]=4 356 B20R2.174735 O=C(CCOc1ccccc1)CSc2ccccc2 1458a_100000211596_100000184471 [0,0,0,0,1,0|2,0,1]=4 357 B20R2.174735 O=C(CCOc1ccccc1)NCc2ccccc2 11a_100015324214_100000182761 [0,0,0,0,1,0|2,0,1]=4 358 B20R2.174735 O=C(CCOc1ccccc1)NCc2ccccc2 1626a_100015324214_100000182761 [0,0,0,0,1,0|2,0,1]=4 359 B20R2.174735 O=C(CCOc1ccccc1)NCc2ccccc2 240690a_100015324214_100000182761 [0,0,0,0,1,0|2,0,1]=4 360 B20R2.174735 O=C(CCOc1ccccc1)NNc2ccccc2 22a_100015195140_100000182761 [0,0,0,0,1,0|3,0,0]=4 361 B20R2.174735 O=C(CCOc1ccccc1)OCc2ccccc2 7a_100000210340_100009813219 [0,0,0,0,1,0|2,0,1]=4 362 B20R2.174735 O=C(CCSc1ccccc1)CCc2ccccc2 1458a_100000182436_100000765856 [0,0,0,0,1,0|1,0,2]=4 363 B20R2.174735 O=C(CCSc1ccccc1)CCc2ccccc2 1458a_100000185753_100000246102 [0,0,0,0,1,0|1,0,2]=4 364 B20R2.174735 O=C(CCSc1ccccc1)COc2ccccc2 1458a_100000186222_100000246102 [0,0,0,0,1,0|2,0,1]=4 365 B20R2.174735 O=C(CCSc1ccccc1)CSc2ccccc2 1458a_100000211596_100000246102 [0,0,0,0,1,0|2,0,1]=4 366 B20R2.174735 O=C(CCSc1ccccc1)NCc2ccccc2 11a_100015324214_100000182436 [0,0,0,0,1,0|2,0,1]=4 367 B20R2.174735 O=C(CCSc1ccccc1)NCc2ccccc2 1626a_100015324214_100000182436 [0,0,0,0,1,0|2,0,1]=4 368 B20R2.174735 O=C(CCSc1ccccc1)NCc2ccccc2 240690a_100015324214_100000182436 [0,0,0,0,1,0|2,0,1]=4 369 B20R2.174735 O=C(CCSc1ccccc1)NNc2ccccc2 22a_100015195140_100000182436 [0,0,0,0,1,0|3,0,0]=4 370 B20R2.174735 O=C(CCSc1ccccc1)OCc2ccccc2 62a_100000719477_100009813219 [0,0,0,0,1,0|2,0,1]=4 371 B20R2.174735 O=C(CCSc1ccccc1)OCc2ccccc2 62a_100009813219_100000041952 [0,0,0,0,1,0|2,0,1]=4 372 B20R2.174735 O=C(CCc1ccccc1)CNCc2ccccc2 2230a_100015324214_100012361361 [0,0,0,0,1,0|1,0,2]=4 373 B20R2.174735 O=C(CCc1ccccc1)CNCc2ccccc2 34a_100015324214_100012361361 [0,0,0,0,1,0|1,0,2]=4 374 B20R2.174735 O=C(CCc1ccccc1)COCc2ccccc2 1458a_100000230186_100000765856 [0,0,0,0,1,0|1,0,2]=4 375 B20R2.174735 O=C(CCc1ccccc1)COCc2ccccc2 34a_100000210790_100012361361 [0,0,0,0,1,0|1,0,2]=4 376 B20R2.174735 O=C(CCc1ccccc1)COCc2ccccc2 7a_100000210790_100012361361 [0,0,0,0,1,0|1,0,2]=4 377 B20R2.174735 O=C(CCc1ccccc1)CSCc2ccccc2 1458a_100000150264_100000765856 [0,0,0,0,1,0|1,0,2]=4 378 B20R2.174735 O=C(CCc1ccccc1)CSCc2ccccc2 1458a_100000185753_200011217039 [0,0,0,0,1,0|1,0,2]=4 379 B20R2.174735 O=C(CCc1ccccc1)CSCc2ccccc2 62a_100000211182_100012361361 [0,0,0,0,1,0|1,0,2]=4 380 B20R2.174735 O=C(CCc1ccccc1)CSCc2ccccc2 62a_100012361361_100015291786 [0,0,0,0,1,0|1,0,2]=4 381 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 11a_100000106460_100000185753 [0,0,0,0,1,0|1,0,2]=4 382 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 1626a_100000106460_100000185753 [0,0,0,0,1,0|1,0,2]=4 383 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 240690a_100000106460_100000185753 [0,0,0,0,1,0|1,0,2]=4 384 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 527a_100000106460_100000185753 [0,0,0,0,1,0|1,0,2]=4 385 B20R2.174735 O=C(CNCc1ccccc1)NCc2ccccc2 2230a_100000739245_100015291786 [0,0,0,0,1,0|2,0,1]=4 386 B20R2.174735 O=C(CNCc1ccccc1)NCc2ccccc2 2230a_100015324214_100000183539 [0,0,0,0,1,0|2,0,1]=4 387 B20R2.174735 O=C(CNCc1ccccc1)NCc2ccccc2 270004a_100000739245_100015611070 [0,0,0,0,1,0|2,0,1]=4 388 B20R2.174735 O=C(CNCc1ccccc1)NCc2ccccc2 34a_100015324214_100000183539 [0,0,0,0,1,0|2,0,1]=4 389 B20R2.174735 O=C(CNCc1ccccc1)OCc2ccccc2 2230a_100015324214_100000753625 [0,0,0,0,1,0|2,0,1]=4 390 B20R2.174735 O=C(CNCc1ccccc1)OCc2ccccc2 34a_100015324214_100000753625 [0,0,0,0,1,0|2,0,1]=4 391 B20R2.174735 O=C(CNc1ccccc1)NCCc2ccccc2 34a_100000106764_100000183012 [0,0,0,0,1,0|2,0,1]=4 392 B20R2.174735 O=C(CNc1ccccc1)OCCc2ccccc2 34a_100000106764_200000077782 [0,0,0,0,1,0|1,0,1]=3 393 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 11a_100015324214_100000230186 [0,0,0,0,1,0|2,0,1]=4 394 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 1626a_100015324214_100000230186 [0,0,0,0,1,0|2,0,1]=4 395 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 240690a_100015324214_100000230186 [0,0,0,0,1,0|2,0,1]=4 396 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 34a_100000210790_100000183539 [0,0,0,0,1,0|2,0,1]=4 397 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 527a_100015324214_100000230186 [0,0,0,0,1,0|2,0,1]=4 398 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 7a_100000210790_100000183539 [0,0,0,0,1,0|2,0,1]=4 399 B20R2.174735 O=C(COCc1ccccc1)NNc2ccccc2 22a_100015195140_100000230186 [0,0,0,0,1,0|3,0,0]=4 400 B20R2.174735 O=C(COCc1ccccc1)OCc2ccccc2 34a_100000210790_100000753625 [0,0,0,0,1,0|2,0,1]=4 401 B20R2.174735 O=C(COCc1ccccc1)OCc2ccccc2 7a_100000210790_100000753625 [0,0,0,0,1,0|2,0,1]=4 402 B20R2.174735 O=C(COc1ccccc1)CSCc2ccccc2 1458a_100000186222_200011217039 [0,0,0,0,1,0|2,0,1]=4 403 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 11a_100000106460_100000186222 [0,0,0,0,1,0|2,0,1]=4 404 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 1626a_100000106460_100000186222 [0,0,0,0,1,0|2,0,1]=4 405 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 240690a_100000106460_100000186222 [0,0,0,0,1,0|2,0,1]=4 406 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 34a_100000210340_100000183012 [0,0,0,0,1,0|2,0,1]=4 407 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 527a_100000106460_100000186222 [0,0,0,0,1,0|2,0,1]=4 408 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 7a_100000210340_100000183012 [0,0,0,0,1,0|2,0,1]=4 409 B20R2.174735 O=C(COc1ccccc1)OCCc2ccccc2 34a_100000210340_200000077782 [0,0,0,0,1,0|1,0,1]=3 410 B20R2.174735 O=C(COc1ccccc1)OCCc2ccccc2 7a_100000210340_200000077782 [0,0,0,0,1,0|1,0,1]=3 411 B20R2.174735 O=C(COc1cccnc1)OCCc2ccccc2 34a_100000210849_200000077782 [0,0,0,0,1,0|2,0,1]=4 412 B20R2.174735 O=C(COc1cccnc1)OCCc2ccccc2 7a_100000210849_200000077782 [0,0,0,0,1,0|2,0,1]=4 413 B20R2.174735 O=C(COc1ccncc1)OCCc2ccccc2 34a_100000212176_200000077782 [0,0,0,0,1,0|2,0,1]=4 414 B20R2.174735 O=C(CSCc1ccccc1)CSc2ccccc2 1458a_100000211596_200011217039 [0,0,0,0,1,0|2,0,1]=4 415 B20R2.174735 O=C(CSCc1ccccc1)NCc2ccccc2 11a_100015324214_100000150264 [0,0,0,0,1,0|2,0,1]=4 416 B20R2.174735 O=C(CSCc1ccccc1)NCc2ccccc2 1626a_100015324214_100000150264 [0,0,0,0,1,0|2,0,1]=4 417 B20R2.174735 O=C(CSCc1ccccc1)NCc2ccccc2 240690a_100015324214_100000150264 [0,0,0,0,1,0|2,0,1]=4 418 B20R2.174735 O=C(CSCc1ccccc1)NCc2ccccc2 527a_100015324214_100000150264 [0,0,0,0,1,0|2,0,1]=4 419 B20R2.174735 O=C(CSCc1ccccc1)NCc2ccccc2 62a_100000183539_100015291786 [0,0,0,0,1,0|2,0,1]=4 420 B20R2.174735 O=C(CSCc1ccccc1)NCc2ccccc2 62a_100000211182_100000183539 [0,0,0,0,1,0|2,0,1]=4 421 B20R2.174735 O=C(CSCc1ccccc1)NNc2ccccc2 22a_100015195140_100000150264 [0,0,0,0,1,0|3,0,0]=4 422 B20R2.174735 O=C(CSCc1ccccc1)OCc2ccccc2 62a_100000211182_100000753625 [0,0,0,0,1,0|2,0,1]=4 423 B20R2.174735 O=C(CSCc1ccccc1)OCc2ccccc2 62a_100000753625_100015291786 [0,0,0,0,1,0|2,0,1]=4 424 B20R2.174735 O=C(CSc1ccccc1)NCCc2ccccc2 11a_100000106460_100000211596 [0,0,0,0,1,0|2,0,1]=4 425 B20R2.174735 O=C(CSc1ccccc1)NCCc2ccccc2 1626a_100000106460_100000211596 [0,0,0,0,1,0|2,0,1]=4 426 B20R2.174735 O=C(CSc1ccccc1)NCCc2ccccc2 240690a_100000106460_100000211596 [0,0,0,0,1,0|2,0,1]=4 427 B20R2.174735 O=C(CSc1ccccc1)NCCc2ccccc2 527a_100000106460_100000211596 [0,0,0,0,1,0|2,0,1]=4 428 B20R2.174735 O=C(CSc1ccccc1)NCCc2ccccc2 62a_100000183012_100000041952 [0,0,0,0,1,0|2,0,1]=4 429 B20R2.174735 O=C(CSc1ccccc1)NCCc2ccccc2 62a_100000719477_100000183012 [0,0,0,0,1,0|2,0,1]=4 430 B20R2.174735 O=C(CSc1ccccc1)OCCc2ccccc2 62a_100000719477_200000077782 [0,0,0,0,1,0|1,0,1]=3 431 B20R2.174735 O=C(CSc1ccccc1)OCCc2ccccc2 62a_200000077782_100000041952 [0,0,0,0,1,0|1,0,1]=3 432 B20R2.174735 O=C(CSc1ccccn1)OCCc2ccccc2 62a_100011216584_200000077782 [0,0,0,0,1,0|2,0,1]=4 433 B20R2.174735 O=C(CSc1ccccn1)OCCc2ccccc2 62a_200000077782_100011216584 [0,0,0,0,1,0|2,0,1]=4 434 B20R2.174735 O=C(CSc1cccnc1)OCCc2ccccc2 62a_100000210063_200000077782 [0,0,0,0,1,0|2,0,1]=4 435 B20R2.174735 O=C(CSc1cccnc1)OCCc2ccccc2 62a_200000077782_100000210063 [0,0,0,0,1,0|2,0,1]=4 436 B20R2.174735 O=C(CSc1ccncc1)OCCc2ccccc2 62a_100000728582_200000077782 [0,0,0,0,1,0|2,0,1]=4 437 B20R2.174735 O=C(CSc1ccncc1)OCCc2ccccc2 62a_200000077782_100000728582 [0,0,0,0,1,0|2,0,1]=4 438 B20R2.174735 O=C(NCCc1ccccc1)NCc2ccccc2 2708a_100000106460_100015324214 [0,0,0,0,1,0|2,0,1]=4 439 B20R2.174735 O=C(NCCc1ccccc1)NCc2ccccc2 2708a_100015324214_100000106460 [0,0,0,0,1,0|2,0,1]=4 440 B20R2.174735 O=C(NCCc1ccccc1)NCc2ccccc2 273464a_100000106460_100015324214 [0,0,0,0,1,0|2,0,1]=4 441 B20R2.174735 O=C(NCCc1ccccc1)NCc2ccccc2 273464a_100015324214_100000106460 [0,0,0,0,1,0|2,0,1]=4 442 B20R2.174735 O=C(NCCc1ccccc1)NCc2ccccc2 512a_100000106460_100015324214 [0,0,0,0,1,0|2,0,1]=4 443 B20R2.174735 O=C(NCCc1ccccc1)NCc2ccccc2 512a_100015324214_100000106460 [0,0,0,0,1,0|2,0,1]=4 444 B20R2.174735 O=C(NCCc1ccccc1)NNc2ccccc2 273464a_100000106460_100015195140 [0,0,0,0,1,0|3,0,0]=4 445 B20R2.174735 O=C(NCCc1ccccc1)NNc2ccccc2 512a_100000106460_100015195140 [0,0,0,0,1,0|3,0,0]=4 446 B20R2.174735 O=C(NCCc1ccccc1)OCc2ccccc2 271570a_200010239705_100000210277 [0,0,0,0,1,0|2,0,1]=4 447 B21R3.3124 c1ccc(cc1)CCNc2cccc3c2cccc3 34a_100000185869_100000765856 [1,0,0,1,0,0|2,0,0]=4 448 B21R3.3124 c1ccc(cc1)CCOc2cccc3c2cccc3 34a_100000210388_100000765856 [1,0,0,1,0,0|2,0,0]=4 449 B21R3.3124 c1ccc(cc1)CCOc2cccc3c2cccc3 7a_100000210388_100000765856 [1,0,0,1,0,0|2,0,0]=4 450 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 207a_100000753325_100015611070 [1,0,0,1,0,0|2,0,0]=4 451 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 207a_100015324214_100000210074 [1,0,0,1,0,0|2,0,0]=4 452 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 2230a_100015324214_100011261445 [1,0,0,1,0,0|2,0,0]=4 453 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 270004a_100000753325_100015611070 [1,0,0,1,0,0|2,0,0]=4 454 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 270004a_100015324214_100000210074 [1,0,0,1,0,0|2,0,0]=4 455 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 34a_100000753325_100015291786 [1,0,0,1,0,0|2,0,0]=4 456 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 34a_100015324214_100011261445 [1,0,0,1,0,0|2,0,0]=4 457 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 34a_100000210790_100011261445 [1,0,0,1,0,0|2,0,0]=4 458 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 34a_100011216843_100015291786 [1,0,0,1,0,0|2,0,0]=4 459 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 7a_100000210790_100011261445 [1,0,0,1,0,0|2,0,0]=4 460 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 7a_100011216843_100000211182 [1,0,0,1,0,0|2,0,0]=4 461 B21R3.3124 c1ccc(cc1)NCCc2cccc3c2cccc3 34a_100000106764_100011290781 [1,0,0,1,0,0|2,0,0]=4 462 B21R3.3124 c1ccc(cc1)OCCc2cccc3c2cccc3 34a_100000210340_100011290781 [1,0,0,1,0,0|2,0,0]=4 463 B21R3.3124 c1ccc(cc1)OCCc2cccc3c2cccc3 7a_100000210340_100011290781 [1,0,0,1,0,0|2,0,0]=4 464 B21R3.3130 C(=C/c1ccccc1)\CNC2CCc3c2cccc3 2230a_100020603302_200000721974 [1,0,0,1,0,0|1,0,1]=4 465 B21R3.3130 C(=C/c1ccccc1)\CN[C@H]2CCc3c2cccc3 2230a_100016989578_100016265936 [1,0,0,1,0,0|1,0,1]=4 466 B21R3.3130 C(=C/c1ccccc1)\CN[C@H]2CCc3c2cccc3 34a_100016989578_100016265936 [1,0,0,1,0,0|1,0,1]=4 467 B21R3.3130 C(=C/c1ccccc1)\COC2CCc3c2cccc3 34a_100000212247_100016265936 [1,0,0,1,0,0|0,0,1]=3 468 B21R3.3130 C(=C/c1ccccc1)\COC2CCc3c2cccc3 7a_100000212247_100016265936 [1,0,0,1,0,0|0,0,1]=3 469 B21R3.3130 C(=Cc1ccccc1)CN[C@H]2CCc3c2cccc3 270004a_100016989578_100000210105 [1,0,0,1,0,0|1,0,1]=4 470 B21R3.3130 c1ccc(cc1)CCCOc2csc3c2cccc3 34a_100000077758_100000211621 [1,0,0,1,0,0|1,0,0]=3 471 B21R3.3130 c1ccc(cc1)CCCOc2csc3c2cccc3 7a_100000077758_100000211621 [1,0,0,1,0,0|1,0,0]=3 472 B21R3.3130 c1ccc(cc1)COCOc2csc3c2cccc3 34a_100000077758_100000763385 [1,0,0,1,0,0|2,0,0]=4 473 B21R3.3130 c1ccc(cc1)OCCOc2csc3c2cccc3 34a_100000077758_100000184471 [1,0,0,1,0,0|2,0,0]=4 474 B21R3.3130 c1ccc(cc1)OCCOc2csc3c2cccc3 7a_100000077758_100000184471 [1,0,0,1,0,0|2,0,0]=4 475 B21R3.3134 C(=C/c1ccccc1)\CN2CCC2c3ccccc3 2230a_100000739605_100016265936 [1,0,0,1,0,0|1,0,1]=4 476 B21R3.3134 C(=C/c1ccccc1)\CN2CCC2c3ccccc3 269982a_100000739605_100016265936 [1,0,0,1,0,0|1,0,1]=4 477 B21R3.3134 C(=Cc1ccccc1)CN2CCC2c3ccccc3 270004a_100000739605_100000210105 [1,0,0,1,0,0|1,0,1]=4 478 B21R3.3136 C(=C/c1ccccc1)\CN2C[C@@H]2Cc3ccccc3 2230a_100016998360_100016265936 [1,0,0,1,0,0|1,0,1]=4 479 B21R3.3136 C(=C/c1ccccc1)\CN2C[C@@H]2Cc3ccccc3 269982a_100016998360_100016265936 [1,0,0,1,0,0|1,0,1]=4 480 B21R3.3136 C(=C/c1ccccc1)\CN2C[C@@H]2Cc3ccccc3 34a_100016998360_100016265936 [1,0,0,1,0,0|1,0,1]=4 481 B21R3.3136 C(=Cc1ccccc1)CN2C[C@@H]2Cc3ccccc3 270004a_100016998360_100000210105 [1,0,0,1,0,0|1,0,1]=4 482 B21R3.47798 C(=C/c1ccccc1)\CN[C@H]2C[C@@H]2c3ccccc3 2230a_100020588832_100016265936 [1,0,0,1,0,0|1,0,1]=4 483 B21R3.47798 C(=C/c1ccccc1)\CN[C@H]2C[C@@H]2c3ccccc3 34a_100020588832_100016265936 [1,0,0,1,0,0|1,0,1]=4 484 B21R3.47824 C(=C/c1ccccc1)\COCC2Cc3c2cccc3 34a_100012476685_100016265936 [1,0,0,1,0,0|0,0,1]=3 485 B21R3.47824 C(=C/c1ccccc1)\COCC2Cc3c2cccc3 7a_100012476685_100016265936 [1,0,0,1,0,0|0,0,1]=3 486 B21R3.24415 O=C(Nc1ccccc1)N2CCC2c3ccccc3 2430a_100000106764_100000739605 [0,0,0,1,1,0|2,0,0]=4 487 B21R3.24437 O=C(Nc1ccccc1)N[C@H]2C[C@@H]2c3ccccc3 2430a_100000106764_100020588832 [0,0,0,1,1,0|2,0,0]=4 488 B21R3.24493 O=C(Cc1ccccc1)C2CCCc3c2cccc3 1458a_100011198263_100015291786 [0,0,0,1,1,0|1,0,1]=4 489 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 11a_100000106764_100011198263 [0,0,0,1,1,0|2,0,0]=4 490 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 1626a_100000106764_100011198263 [0,0,0,1,1,0|2,0,0]=4 491 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 22a_100000106764_100011198263 [0,0,0,1,1,0|2,0,0]=4 492 B21R3.24493 O=C(Nc1ccccc1)C2CCCc3c2cccc3 527a_100000106764_100011198263 [0,0,0,1,1,0|2,0,0]=4 493 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 11a_100000106764_100000756587 [0,0,0,1,1,0|2,0,0]=4 494 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 1626a_100000106764_100000756587 [0,0,0,1,1,0|2,0,0]=4 495 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 22a_100000106764_100000756587 [0,0,0,1,1,0|2,0,0]=4 496 B21R3.24497 O=C(CC1CCc2c1cccc2)Nc3ccccc3 527a_100000106764_100000756587 [0,0,0,1,1,0|2,0,0]=4 497 B21R3.24497 O=C(Cc1ccccc1)CC2CCc3c2cccc3 1458a_100000756587_100015291786 [0,0,0,1,1,0|1,0,1]=4 498 B21R3.24497 O=C(Nc1ccccc1)N[C@H]2CCc3c2cccc3 2430a_100000106764_100016989578 [0,0,0,1,1,0|2,0,0]=4 499 B21R3.2429969 c1ccc(cc1)CCCSc2cc3ccccc3[nH]2 62a_100000211621_100010232065 [0,0,0,1,1,0|1,1,0]=4 500 B21R3.41560 O=C(C=Cc1cccs1)N[C@H]2CCc3c2cccc3 11a_100016989578_100000182767 [0,0,0,1,1,0|2,0,0]=4 501 B21R3.41560 O=C(C=Cc1cccs1)N[C@H]2CCc3c2cccc3 1626a_100016989578_100000182767 [0,0,0,1,1,0|2,0,0]=4 502 B21R3.41560 O=C(C=Cc1cccs1)N[C@H]2CCc3c2cccc3 240690a_100016989578_100000182767 [0,0,0,1,1,0|2,0,0]=4 503 B21R3.41560 O=C(C=Cc1ccoc1)N[C@H]2CCc3c2cccc3 11a_100016989578_100000238621 [0,0,0,1,1,0|2,0,0]=4 504 B21R3.41560 O=C(C=Cc1ccoc1)N[C@H]2CCc3c2cccc3 1626a_100016989578_100000238621 [0,0,0,1,1,0|2,0,0]=4 505 B21R3.41560 O=C(C=Cc1ccoc1)N[C@H]2CCc3c2cccc3 240690a_100016989578_100000238621 [0,0,0,1,1,0|2,0,0]=4 506 B21R3.41560 O=C(C=Cc1ccsc1)N[C@H]2CCc3c2cccc3 11a_100016989578_100000698588 [0,0,0,1,1,0|2,0,0]=4 507 B21R3.41560 O=C(C=Cc1ccsc1)N[C@H]2CCc3c2cccc3 1626a_100016989578_100000698588 [0,0,0,1,1,0|2,0,0]=4 508 B21R3.41560 O=C(C=Cc1ccsc1)N[C@H]2CCc3c2cccc3 240690a_100016989578_100000698588 [0,0,0,1,1,0|2,0,0]=4 509 B21R3.41560 O=C(C=Cc1ccsc1)N[C@H]2CCc3c2cccc3 527a_100016989578_100000698588 [0,0,0,1,1,0|2,0,0]=4 510 B21R3.47810 c1ccc(cc1)CCCOc2ccc3[nH]ccc3c2 34a_100000756620_100000211621 [0,0,0,1,1,0|2,0,0]=4 511 B21R3.47810 c1ccc(cc1)CCCOc2ccc3cc[nH]c3c2 34a_100000036713_100000211621 [0,0,0,1,1,0|2,0,0]=4 512 B21R3.47810 c1ccc(cc1)CCCOc2ccc3ccoc3c2 34a_100000089557_100000211621 [0,0,0,1,1,0|2,0,0]=4 513 B21R3.47810 c1ccc(cc1)CCCOc2ccc3ccoc3c2 7a_100000089557_100000211621 [0,0,0,1,1,0|2,0,0]=4 514 B21R3.47810 c1ccc(cc1)CCCOc2ccc3occc3c2 34a_100000070125_100000211621 [0,0,0,1,1,0|2,0,0]=4 515 B21R3.47810 c1ccc(cc1)CCCOc2ccc3occc3c2 7a_100000070125_100000211621 [0,0,0,1,1,0|2,0,0]=4 516 B21R3.47810 c1ccc(cc1)CCCOc2ccc3sccc3c2 34a_100012180905_100000211621 [0,0,0,1,1,0|2,0,0]=4 517 B21R3.47810 c1ccc(cc1)CCCOc2ccc3sccc3c2 7a_100012180905_100000211621 [0,0,0,1,1,0|2,0,0]=4 518 B21R3.2280480 O=C(C=Cc1cccs1)N2C[C@@H]2Cc3ccccc3 11a_100016998360_100000182767 [0,0,0,1,1,0|2,0,0]=4 519 B21R3.2280480 O=C(C=Cc1cccs1)N2C[C@@H]2Cc3ccccc3 1626a_100016998360_100000182767 [0,0,0,1,1,0|2,0,0]=4 520 B21R3.2280480 O=C(C=Cc1cccs1)N2C[C@@H]2Cc3ccccc3 240690a_100016998360_100000182767 [0,0,0,1,1,0|2,0,0]=4 521 B21R3.2280480 O=C(C=Cc1ccoc1)N2C[C@@H]2Cc3ccccc3 11a_100016998360_100000238621 [0,0,0,1,1,0|2,0,0]=4 522 B21R3.2280480 O=C(C=Cc1ccoc1)N2C[C@@H]2Cc3ccccc3 1626a_100016998360_100000238621 [0,0,0,1,1,0|2,0,0]=4 523 B21R3.2280480 O=C(C=Cc1ccoc1)N2C[C@@H]2Cc3ccccc3 240690a_100016998360_100000238621 [0,0,0,1,1,0|2,0,0]=4 524 B21R3.2280480 O=C(C=Cc1ccsc1)N2C[C@@H]2Cc3ccccc3 11a_100016998360_100000698588 [0,0,0,1,1,0|2,0,0]=4 525 B21R3.2280480 O=C(C=Cc1ccsc1)N2C[C@@H]2Cc3ccccc3 1626a_100016998360_100000698588 [0,0,0,1,1,0|2,0,0]=4 526 B21R3.2280480 O=C(C=Cc1ccsc1)N2C[C@@H]2Cc3ccccc3 240690a_100016998360_100000698588 [0,0,0,1,1,0|2,0,0]=4 527 B21R3.2280480 O=C(C=Cc1ccsc1)N2C[C@@H]2Cc3ccccc3 527a_100016998360_100000698588 [0,0,0,1,1,0|2,0,0]=4 528 B21R3.2280482 O=C(C=Cc1cccs1)N2CCC2c3ccccc3 11a_100000739605_100000182767 [0,0,0,1,1,0|2,0,0]=4 529 B21R3.2280482 O=C(C=Cc1cccs1)N2CCC2c3ccccc3 1626a_100000739605_100000182767 [0,0,0,1,1,0|2,0,0]=4 530 B21R3.2280482 O=C(C=Cc1cccs1)N2CCC2c3ccccc3 240690a_100000739605_100000182767 [0,0,0,1,1,0|2,0,0]=4 531 B21R3.2280482 O=C(C=Cc1ccoc1)N2CCC2c3ccccc3 11a_100000739605_100000238621 [0,0,0,1,1,0|2,0,0]=4 532 B21R3.2280482 O=C(C=Cc1ccoc1)N2CCC2c3ccccc3 1626a_100000739605_100000238621 [0,0,0,1,1,0|2,0,0]=4 533 B21R3.2280482 O=C(C=Cc1ccoc1)N2CCC2c3ccccc3 240690a_100000739605_100000238621 [0,0,0,1,1,0|2,0,0]=4 534 B21R3.2280482 O=C(C=Cc1ccsc1)N2CCC2c3ccccc3 11a_100000739605_100000698588 [0,0,0,1,1,0|2,0,0]=4 535 B21R3.2280482 O=C(C=Cc1ccsc1)N2CCC2c3ccccc3 1626a_100000739605_100000698588 [0,0,0,1,1,0|2,0,0]=4 536 B21R3.2280482 O=C(C=Cc1ccsc1)N2CCC2c3ccccc3 240690a_100000739605_100000698588 [0,0,0,1,1,0|2,0,0]=4 537 B21R3.2280482 O=C(C=Cc1ccsc1)N2CCC2c3ccccc3 527a_100000739605_100000698588 [0,0,0,1,1,0|2,0,0]=4 538 B21R3.2280771 O=C(C=Cc1cccs1)N[C@H]2C[C@@H]2c3ccccc3 11a_100020588832_100000182767 [0,0,0,1,1,0|2,0,0]=4 539 B21R3.2280771 O=C(C=Cc1cccs1)N[C@H]2C[C@@H]2c3ccccc3 1626a_100020588832_100000182767 [0,0,0,1,1,0|2,0,0]=4 540 B21R3.2280771 O=C(C=Cc1cccs1)N[C@H]2C[C@@H]2c3ccccc3 240690a_100020588832_100000182767 [0,0,0,1,1,0|2,0,0]=4 541 B21R3.2280771 O=C(C=Cc1ccoc1)N[C@H]2C[C@@H]2c3ccccc3 11a_100020588832_100000238621 [0,0,0,1,1,0|2,0,0]=4 542 B21R3.2280771 O=C(C=Cc1ccoc1)N[C@H]2C[C@@H]2c3ccccc3 1626a_100020588832_100000238621 [0,0,0,1,1,0|2,0,0]=4 543 B21R3.2280771 O=C(C=Cc1ccoc1)N[C@H]2C[C@@H]2c3ccccc3 240690a_100020588832_100000238621 [0,0,0,1,1,0|2,0,0]=4 544 B21R3.2280771 O=C(C=Cc1ccsc1)N[C@H]2C[C@@H]2c3ccccc3 11a_100020588832_100000698588 [0,0,0,1,1,0|2,0,0]=4 545 B21R3.2280771 O=C(C=Cc1ccsc1)N[C@H]2C[C@@H]2c3ccccc3 1626a_100020588832_100000698588 [0,0,0,1,1,0|2,0,0]=4 546 B21R3.2280771 O=C(C=Cc1ccsc1)N[C@H]2C[C@@H]2c3ccccc3 240690a_100020588832_100000698588 [0,0,0,1,1,0|2,0,0]=4 547 B21R3.2280771 O=C(C=Cc1ccsc1)N[C@H]2C[C@@H]2c3ccccc3 527a_100020588832_100000698588 [0,0,0,1,1,0|2,0,0]=4 548 B21R3.47661 c1ccc2cc(ccc2c1)OCCCn3cccc3 34a_100000185828_200009814367 [0,0,0,1,1,0|2,0,0]=4 549 B21R3.47661 c1ccc2cc(ccc2c1)OCCCn3cccc3 7a_100000185828_200009814367 [0,0,0,1,1,0|2,0,0]=4 550 B21R3.47661 c1csc(c1)CCCOc2ccc3ccccc3c2 34a_100000185828_100010992444 [0,0,0,1,1,0|2,0,0]=4 551 B21R3.47661 c1csc(c1)CCCOc2ccc3ccccc3c2 7a_100000185828_100010992444 [0,0,0,1,1,0|2,0,0]=4 552 B21R3.2808 O=C(CCc1ccccc1)C2CCc3c2cccc3 1458a_100000750891_100000765856 [0,0,0,1,1,0|0,0,2]=4 553 B21R3.2808 O=C(NCc1ccccc1)C2CCc3c2cccc3 11a_100015324214_100000750891 [0,0,0,1,1,0|1,0,1]=4 554 B21R3.2808 O=C(NCc1ccccc1)C2CCc3c2cccc3 1626a_100015324214_100000750891 [0,0,0,1,1,0|1,0,1]=4 555 B21R3.2808 O=C(NCc1ccccc1)C2CCc3c2cccc3 240690a_100015324214_100000750891 [0,0,0,1,1,0|1,0,1]=4 556 B21R3.2808 O=C(NCc1ccccc1)C2CCc3c2cccc3 527a_100015324214_100000750891 [0,0,0,1,1,0|1,0,1]=4 557 B21R3.2808 O=C(NNc1ccccc1)C2CCc3c2cccc3 22a_100015195140_100000750891 [0,0,0,1,1,0|2,0,0]=4 558 B21R3.41505 O=C(CCc1ccccc1)[C@@H]2C[C@H]2c3ccccc3 1458a_100009815801_100000765856 [0,0,0,1,1,0|0,0,2]=4 559 B21R3.41505 O=C(NCc1ccccc1)[C@@H]2C[C@H]2c3ccccc3 11a_100015324214_100009815801 [0,0,0,1,1,0|1,0,1]=4 560 B21R3.41505 O=C(NCc1ccccc1)[C@@H]2C[C@H]2c3ccccc3 240690a_100015324214_100009815801 [0,0,0,1,1,0|1,0,1]=4 561 B21R3.41505 O=C(NCc1ccccc1)[C@@H]2C[C@H]2c3ccccc3 527a_100015324214_100009815801 [0,0,0,1,1,0|1,0,1]=4 562 B21R3.41505 O=C(NNc1ccccc1)[C@@H]2C[C@H]2c3ccccc3 22a_100015195140_100009815801 [0,0,0,1,1,0|2,0,0]=4 563 B21R3.47750 c1ccc(cc1)CCNc2ccc3ccccc3c2 34a_100000211940_100000765856 [0,0,0,1,1,0|2,0,0]=4 564 B21R3.47750 c1ccc(cc1)CCNc2ccc3ccccc3c2 7a_100000211940_100000765856 [0,0,0,1,1,0|2,0,0]=4 565 B21R3.47750 c1ccc(cc1)CCNc2ccc3ccccc3n2 27a_100000106460_100011291633 [0,0,0,1,1,0|2,0,0]=4 566 B21R3.47750 c1ccc(cc1)CCOc2ccc3ccccc3c2 34a_100000185828_100000765856 [0,0,0,1,1,0|1,0,0]=3 567 B21R3.47750 c1ccc(cc1)CCOc2ccc3ccccc3c2 7a_100000185828_100000765856 [0,0,0,1,1,0|1,0,0]=3 568 B21R3.47750 c1ccc(cc1)CCOc2ccc3cccnc3c2 34a_100011216045_100000765856 [0,0,0,1,1,0|2,0,0]=4 569 B21R3.47750 c1ccc(cc1)CCOc2ccc3ccncc3c2 7a_100000752006_100000765856 [0,0,0,1,1,0|2,0,0]=4 570 B21R3.47750 c1ccc(cc1)CCOc2ccc3cnccc3c2 34a_100000046372_100000765856 [0,0,0,1,1,0|2,0,0]=4 571 B21R3.47750 c1ccc(cc1)CCOc2ccc3cnccc3c2 7a_100000046372_100000765856 [0,0,0,1,1,0|2,0,0]=4 572 B21R3.47750 c1ccc(cc1)CCOc2ccc3ncccc3c2 34a_100011215586_100000765856 [0,0,0,1,1,0|2,0,0]=4 573 B21R3.47750 c1ccc(cc1)CCOc2ccc3ncccc3c2 7a_100011215586_100000765856 [0,0,0,1,1,0|2,0,0]=4 574 B21R3.47750 c1ccc(cc1)CCOc2cnc3ccccc3c2 34a_100011934006_100000765856 [0,0,0,1,1,0|2,0,0]=4 575 B21R3.47750 c1ccc(cc1)CCOc2cnc3ccccc3c2 7a_100011934006_100000765856 [0,0,0,1,1,0|2,0,0]=4 576 B21R3.47750 c1ccc(cc1)CCSc2ccc3ccccc3n2 62a_100000765856_100011291633 [0,0,0,1,1,0|1,1,0]=4 577 B21R3.47750 c1ccc(cc1)CCSc2ccc3ccccc3n2 62a_100011291633_100011218657 [0,0,0,1,1,0|1,1,0]=4 578 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 207a_100000739491_100015611070 [0,0,0,1,1,0|2,0,0]=4 579 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 207a_100015324214_100000211584 [0,0,0,1,1,0|2,0,0]=4 580 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 2230a_100000739491_100015291786 [0,0,0,1,1,0|2,0,0]=4 581 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 2230a_100015324214_100011216711 [0,0,0,1,1,0|2,0,0]=4 582 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 270004a_100000739491_100015611070 [0,0,0,1,1,0|2,0,0]=4 583 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 270004a_100015324214_100000211584 [0,0,0,1,1,0|2,0,0]=4 584 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 34a_100000739491_100015291786 [0,0,0,1,1,0|2,0,0]=4 585 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 34a_100015324214_100011216711 [0,0,0,1,1,0|2,0,0]=4 586 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 207a_100015324214_100000759686 [0,0,0,1,1,0|2,0,0]=4 587 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 2230a_100015324214_100000737579 [0,0,0,1,1,0|2,0,0]=4 588 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 270004a_100015324214_100000759686 [0,0,0,1,1,0|2,0,0]=4 589 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 34a_100015324214_100000737579 [0,0,0,1,1,0|2,0,0]=4 590 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 34a_100000210790_100011216711 [0,0,0,1,1,0|2,0,0]=4 591 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 34a_100011215330_100015291786 [0,0,0,1,1,0|2,0,0]=4 592 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 7a_100000210790_100011216711 [0,0,0,1,1,0|2,0,0]=4 593 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 7a_100011215330_100000211182 [0,0,0,1,1,0|2,0,0]=4 594 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3n2 34a_100000210790_100000737579 [0,0,0,1,1,0|2,0,0]=4 595 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3n2 7a_100000210790_100000737579 [0,0,0,1,1,0|2,0,0]=4 596 B21R3.47750 c1ccc(cc1)CSCc2ccc3ccccc3n2 62a_100000211182_100000737579 [0,0,0,1,1,0|2,0,0]=4 597 B21R3.47750 c1ccc(cc1)CSCc2ccc3ccccc3n2 62a_100000737579_100015291786 [0,0,0,1,1,0|2,0,0]=4 598 B21R3.47750 c1ccc(nc1)CCOc2ccc3ccccc3c2 7a_100000185828_100015183660 [0,0,0,1,1,0|2,0,0]=4 599 B21R3.47750 c1ccc2cc(ccc2c1)OCCc3ccncc3 7a_100000185828_100000723409 [0,0,0,1,1,0|2,0,0]=4 600 B21R3.47750 c1cncc(c1)CCOc2ccc3ccccc3c2 7a_100000185828_200011713674 [0,0,0,1,1,0|2,0,0]=4 601 B21R3.520292 O=C(CCCc1ccccc1)C2Cc3c2cccc3 1458a_200000238571_100000211621 [0,0,0,1,1,0|0,0,2]=4 602 B19R2.2627 C(=C/c1ccccc1)\COCCCc2cccs2 34a_100000210256_100010992444 [1,0,0,0,1,0|1,0,1]=4 603 B19R2.2627 C(=C/c1ccccc1)\COCCCc2cccs2 34a_100011713143_100016265936 [1,0,0,0,1,0|1,0,1]=4 604 B19R2.2627 C(=C/c1ccccc1)\COCCCc2cccs2 7a_100011713143_100016265936 [1,0,0,0,1,0|1,0,1]=4 605 B19R2.2627 C(=C/c1ccccc1)\COCCCc2ccsc2 34a_200000699776_100016265936 [1,0,0,0,1,0|1,0,1]=4 606 B19R2.2627 C(=C/c1ccccc1)\COCCCc2ccsc2 7a_200000699776_100016265936 [1,0,0,0,1,0|1,0,1]=4 607 B19R2.2627 C(=C/c1ccccc1)\COCCCn2cccc2 34a_100000179399_100016265936 [1,0,0,0,1,0|1,0,1]=4 608 B19R2.2627 C(=C/c1ccccc1)\COCCCn2cccc2 34a_100000210256_200009814367 [1,0,0,0,1,0|1,0,1]=4 609 B19R2.2627 C(=C/c1ccccc1)\COCCCn2cccc2 7a_100000179399_100016265936 [1,0,0,0,1,0|1,0,1]=4 610 B19R2.2628 C(=C/c1ccccc1)\CNCCc2ccccc2 2230a_100000106460_100016265936 [1,0,0,0,1,0|1,0,1]=4 611 B19R2.2628 C(=C/c1ccccc1)\CNCCc2ccccc2 2230a_100020603302_100000765856 [1,0,0,0,1,0|1,0,1]=4 612 B19R2.2628 C(=C/c1ccccc1)\CNCCc2ccccc2 34a_100000106460_100016265936 [1,0,0,0,1,0|1,0,1]=4 613 B19R2.2628 C(=C/c1ccccc1)\CNCCc2ccccc2 34a_100020603302_100000765856 [1,0,0,0,1,0|1,0,1]=4 614 B19R2.2628 C(=C/c1ccccc1)\COCCc2ccccc2 34a_100000210256_100000765856 [1,0,0,0,1,0|0,0,1]=3 615 B19R2.2628 C(=C/c1ccccc1)\COCCc2ccccc2 34a_100000210268_100016265936 [1,0,0,0,1,0|0,0,1]=3 616 B19R2.2628 C(=C/c1ccccc1)\COCCc2ccccc2 7a_100000210268_100016265936 [1,0,0,0,1,0|0,0,1]=3 617 B19R2.2628 C(=C/c1ccccc1)\COCCc2ccccn2 34a_100000210271_100016265936 [1,0,0,0,1,0|1,0,1]=4 618 B19R2.2628 C(=C/c1ccccc1)\COCCc2cccnc2 34a_100011217484_100016265936 [1,0,0,0,1,0|1,0,1]=4 619 B19R2.2628 C(=C/c1ccccc1)\COCCc2ccncc2 34a_100011216225_100016265936 [1,0,0,0,1,0|1,0,1]=4 620 B19R2.2628 C(=C/c1ccccc1)\CSCCc2ccccc2 62a_100000765856_100016265936 [1,0,0,0,1,0|0,1,1]=4 621 B19R2.2628 C(=C/c1ccccc1)\CSCCc2ccccc2 62a_100016265936_100011218657 [1,0,0,0,1,0|0,1,1]=4 622 B19R2.2628 C(=C/c1cccnc1)\COCCc2ccccc2 34a_200102594124_100000765856 [1,0,0,0,1,0|1,0,1]=4 623 B19R2.2628 C(=Cc1ccccc1)C=NNCc2ccccc2 4a_100000007032_100000210105 [1,0,0,0,1,0|2,0,0]=4 624 B19R2.2628 C(=Cc1ccccc1)CNCCc2ccccc2 270004a_100000106460_100000210105 [1,0,0,0,1,0|1,0,1]=4 625 B19R2.2628 C(=NNc1ccccc1)CCCc2ccccc2 4a_100015195140_100011361547 [1,0,0,0,1,0|2,0,0]=4 626 B19R2.2628 c1ccc(cc1)CCCOCCc2ccccc2 34a_100000210268_100000211621 [1,0,0,0,1,0|0,0,2]=4 627 B19R2.2628 c1ccc(cc1)CCCOCCc2ccccc2 34a_100000210828_100000765856 [1,0,0,0,1,0|0,0,2]=4 628 B19R2.2628 c1ccc(cc1)CCCOCCc2ccccc2 7a_100000210268_100000211621 [1,0,0,0,1,0|0,0,2]=4 629 B19R2.2628 c1ccc(cc1)CCCOCCc2ccccc2 7a_100000210828_100000765856 [1,0,0,0,1,0|0,0,2]=4 630 B19R2.8899 CC(OCCCc1ccccc1)c2ccccc2 34a_100000210828_100000211855 [0,0,0,0,2,0|1,0,1]=4 631 B19R2.8899 CC(OCCCc1ccccc1)c2ccccc2 7a_100000210828_100000230085 [0,0,0,0,2,0|1,0,1]=4 632 B19R2.8899 C[C@@H](OCCCc1ccccc1)c2ccccc2 34a_100000761318_100000211621 [0,0,0,0,2,0|1,0,1]=4 633 B19R2.8899 C[C@@H](OCCCc1ccccc1)c2ccccc2 7a_100000761318_100000211621 [0,0,0,0,2,0|1,0,1]=4 634 B19R2.8899 O=C(CCCCc1ccccc1)c2ccccc2 1458a_100000185807_100000701786 [0,0,0,0,2,0|1,0,0]=3 635 B19R2.8899 O=C(CCCCc1ccncc1)c2ccccc2 1458a_100000185807_100020630000 [0,0,0,0,2,0|2,0,0]=4 636 B19R2.8899 O=C(CCCOc1ccccc1)c2ccccc2 1458a_100000185807_100000199009 [0,0,0,0,2,0|2,0,0]=4 637 B19R2.8899 O=C(CCCOc1ccccc1)c2ccccc2 7a_100000210340_100000211006 [0,0,0,0,2,0|2,0,0]=4 638 B19R2.8899 O=C(CCCSc1ccccc1)c2ccccc2 1458a_100000185807_200011203293 [0,0,0,0,2,0|2,0,0]=4 639 B19R2.8899 O=C(CCCSc1ccccc1)c2ccccc2 62a_100000211006_100000041952 [0,0,0,0,2,0|2,0,0]=4 640 B19R2.8899 O=C(CCCSc1ccccc1)c2ccccc2 62a_100000719477_100000211006 [0,0,0,0,2,0|2,0,0]=4 641 B19R2.8899 O=C(CCNCc1ccccc1)c2ccccc2 2230a_100015324214_100000750707 [0,0,0,0,2,0|2,0,0]=4 642 B19R2.8899 O=C(CCOCc1ccccc1)c2ccccc2 1458a_100000185807_100000234347 [0,0,0,0,2,0|2,0,0]=4 643 B19R2.8899 O=C(CCOCc1ccccc1)c2ccccc2 7a_100000210790_100000750707 [0,0,0,0,2,0|2,0,0]=4 644 B19R2.8899 O=C(CCSCc1ccccc1)c2ccccc2 1458a_100000185807_200011297719 [0,0,0,0,2,0|2,0,0]=4 645 B19R2.8899 O=C(CCSCc1ccccc1)c2ccccc2 62a_100000211182_100000750707 [0,0,0,0,2,0|2,0,0]=4 646 B19R2.8899 O=C(CCSCc1ccccc1)c2ccccc2 62a_100000750707_100015291786 [0,0,0,0,2,0|2,0,0]=4 647 B19R2.8899 O=C(COCCc1ccccc1)c2ccccc2 7a_100000210268_100000211460 [0,0,0,0,2,0|2,0,0]=4 648 B19R2.8899 O=C(CSCCc1ccccc1)c2ccccc2 62a_100000211460_100011218657 [0,0,0,0,2,0|2,0,0]=4 649 B19R2.8899 O=C(CSCCc1ccccc1)c2ccccc2 62a_100000765856_100000211460 [0,0,0,0,2,0|2,0,0]=4 650 B19R2.8899 O=C(NCCCc1ccccc1)c2ccccc2 11a_100000211184_100000185807 [0,0,0,0,2,0|1,0,0]=3 651 B19R2.8899 O=C(NCCCc1ccccc1)c2ccccc2 1626a_100000211184_100000185807 [0,0,0,0,2,0|1,0,0]=3 652 B19R2.8899 O=C(NCCCc1ccccc1)c2ccccc2 240690a_100000211184_100000185807 [0,0,0,0,2,0|1,0,0]=3 653 B19R2.8899 O=C(NCCCc1ccccc1)c2ccccc2 527a_100000211184_100000185807 [0,0,0,0,2,0|1,0,0]=3 654 B19R2.8899 O=C(NCCCc1ccccn1)c2ccccc2 11a_100000689020_100000185807 [0,0,0,0,2,0|2,0,0]=4 655 B19R2.8899 O=C(NCCCc1ccccn1)c2ccccc2 1626a_100000689020_100000185807 [0,0,0,0,2,0|2,0,0]=4 656 B19R2.8899 O=C(NCCCc1ccccn1)c2ccccc2 240690a_100000689020_100000185807 [0,0,0,0,2,0|2,0,0]=4 657 B19R2.8899 O=C(NCCCc1ccccn1)c2ccccc2 527a_100000689020_100000185807 [0,0,0,0,2,0|2,0,0]=4 658 B19R2.8899 O=C(NCCCc1cccnc1)c2ccccc2 11a_100011532358_100000185807 [0,0,0,0,2,0|2,0,0]=4 659 B19R2.8899 O=C(NCCCc1cccnc1)c2ccccc2 240690a_100011532358_100000185807 [0,0,0,0,2,0|2,0,0]=4 660 B19R2.8899 O=C(NCCCc1ccncc1)c2ccccc2 1626a_100011275580_100000185807 [0,0,0,0,2,0|2,0,0]=4 661 B19R2.8899 O=C(NCCCc1ccncc1)c2ccccc2 240690a_100011275580_100000185807 [0,0,0,0,2,0|2,0,0]=4 662 B19R2.8899 O=C(NCCCc1ccncc1)c2ccccc2 527a_100011275580_100000185807 [0,0,0,0,2,0|2,0,0]=4 663 B19R2.8899 O=C(NCCOc1ccccc1)c2ccccc2 11a_100000174943_100000185807 [0,0,0,0,2,0|2,0,0]=4 664 B19R2.8899 O=C(NCCOc1ccccc1)c2ccccc2 1626a_100000174943_100000185807 [0,0,0,0,2,0|2,0,0]=4 665 B19R2.8899 O=C(NCCOc1ccccc1)c2ccccc2 240690a_100000174943_100000185807 [0,0,0,0,2,0|2,0,0]=4 666 B19R2.8899 O=C(NCCOc1ccccc1)c2ccccc2 527a_100000174943_100000185807 [0,0,0,0,2,0|2,0,0]=4 667 B19R2.8899 O=C(NCCOc1ccccc1)c2ccccc2 7a_100000210340_200011215302 [0,0,0,0,2,0|2,0,0]=4 668 B19R2.8899 O=C(NCCSc1ccccc1)c2ccccc2 240690a_100000189519_100000185807 [0,0,0,0,2,0|2,0,0]=4 669 B19R2.8899 O=C(NCCSc1ccccc1)c2ccccc2 527a_100000189519_100000185807 [0,0,0,0,2,0|2,0,0]=4 670 B19R2.8899 O=C(NCCSc1ccccc1)c2ccccc2 62a_100000719477_200011215302 [0,0,0,0,2,0|2,0,0]=4 671 B19R2.8899 O=C(NCCSc1ccccc1)c2ccccc2 62a_200011215302_100000041952 [0,0,0,0,2,0|2,0,0]=4 672 B19R2.8899 O=C(NNCCc1ccccc1)c2ccccc2 22a_100000740470_100000185807 [0,0,0,0,2,0|2,0,0]=4 673 B19R2.8899 O=C(OCCNc1ccccc1)c2ccccc2 34a_100000106764_100009812718 [0,0,0,0,2,0|1,0,0]=3 674 B19R2.8899 O=C(OCCOc1ccccc1)c2ccccc2 34a_100000210340_100009812718 [0,0,0,0,2,0|1,0,0]=3 675 B19R2.8899 O=C(OCCOc1ccccc1)c2ccccc2 7a_100000210340_100000184176 [0,0,0,0,2,0|1,0,0]=3 676 B19R2.8899 O=C(OCCOc1cccnc1)c2ccccc2 34a_100000210849_100009812718 [0,0,0,0,2,0|2,0,0]=4 677 B19R2.8899 O=C(OCCOc1cccnc1)c2ccccc2 7a_100000210849_100000184176 [0,0,0,0,2,0|2,0,0]=4 678 B19R2.8899 O=C(OCCOc1ccncc1)c2ccccc2 34a_100000212176_100009812718 [0,0,0,0,2,0|2,0,0]=4 679 B19R2.8899 O=C(OCCSc1ccccc1)c2ccccc2 62a_100000719477_100009812718 [0,0,0,0,2,0|1,0,0]=3 680 B19R2.8899 O=C(OCCSc1ccccc1)c2ccccc2 62a_100009812718_100000041952 [0,0,0,0,2,0|1,0,0]=3 681 B19R2.8899 O=C(OCCSc1ccccn1)c2ccccc2 62a_100009812718_100011216584 [0,0,0,0,2,0|2,0,0]=4 682 B19R2.8899 O=C(OCCSc1ccccn1)c2ccccc2 62a_100011216584_100009812718 [0,0,0,0,2,0|2,0,0]=4 683 B19R2.8899 O=C(OCCSc1cccnc1)c2ccccc2 62a_100000210063_100009812718 [0,0,0,0,2,0|2,0,0]=4 684 B19R2.8899 O=C(OCCSc1cccnc1)c2ccccc2 62a_100009812718_100000210063 [0,0,0,0,2,0|2,0,0]=4 685 B19R2.8899 O=C(OCCSc1ccncc1)c2ccccc2 62a_100000728582_100009812718 [0,0,0,0,2,0|2,0,0]=4 686 B19R2.8899 O=C(OCCSc1ccncc1)c2ccccc2 62a_100009812718_100000728582 [0,0,0,0,2,0|2,0,0]=4 687 B19R2.8899 O=C(OCOCc1ccccc1)c2ccccc2 7a_100000210790_100000073877 [0,0,0,0,2,0|1,0,0]=3 688 B19R2.8899 O=C(OCSCc1ccccc1)c2ccccc2 62a_100000073877_100015291786 [0,0,0,0,2,0|1,0,0]=3 689 B19R2.8899 O=C(OCSCc1ccccc1)c2ccccc2 62a_100000211182_100000073877 [0,0,0,0,2,0|1,0,0]=3 690 B19R2.8899 O=C(OCSCc1ccccn1)c2ccccc2 62a_100000073877_100000721315 [0,0,0,0,2,0|2,0,0]=4 691 B19R2.8899 O=C(OCSCc1ccccn1)c2ccccc2 62a_100000721315_100000073877 [0,0,0,0,2,0|2,0,0]=4 692 B19R2.8899 O=C(OCSCc1cccnc1)c2ccccc2 62a_100000073877_100000741622 [0,0,0,0,2,0|2,0,0]=4 693 B19R2.8899 O=C(OCSCc1cccnc1)c2ccccc2 62a_100000741622_100000073877 [0,0,0,0,2,0|2,0,0]=4 694 B19R2.8899 O=C(OCSCc1ccncc1)c2ccccc2 62a_100000073877_100015193705 [0,0,0,0,2,0|2,0,0]=4 695 B19R2.8899 O=C(OCSCc1ccncc1)c2ccccc2 62a_100015193705_100000073877 [0,0,0,0,2,0|2,0,0]=4 696 B19R2.8900 C/C(=C\c1ccccc1)/COCc2ccccc2 34a_200025717232_100015291786 [0,0,0,0,2,0|2,0,0]=4 697 B19R2.8900 C/C(=C\c1ccccc1)/COCc2ccccc2 7a_200025717232_100000211182 [0,0,0,0,2,0|2,0,0]=4 698 B19R2.8900 O=C(CCCc1ccccc1)C[n+]2ccccc2 1458a_200000086051_100000211621 [0,0,0,0,2,0|1,0,1]=4 699 B19R2.8900 O=C(CCCc1ccccc1)Cc2ccccc2 1458a_100011207963_100015291786 [0,0,0,0,2,0|0,0,1]=3 700 B19R2.8900 O=C(CCCc1ccccc1)Cc2ccccn2 1458a_100000233486_100000211621 [0,0,0,0,2,0|1,0,1]=4 701 B19R2.8900 O=C(CCCc1ccccc1)Cc2ccccn2 1458a_100011207963_100000721315 [0,0,0,0,2,0|1,0,1]=4 702 B19R2.8900 O=C(CCCc1ccccc1)Cc2cccnc2 1458a_100000737805_100000211621 [0,0,0,0,2,0|1,0,1]=4 703 B19R2.8900 O=C(CCCc1ccccc1)Cc2cccnc2 1458a_100011207963_100000733263 [0,0,0,0,2,0|1,0,1]=4 704 B19R2.8900 O=C(CCCc1ccccc1)Cc2ccncc2 1458a_100011207963_100000705612 [0,0,0,0,2,0|1,0,1]=4 705 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 11a_100000106764_100011207963 [0,0,0,0,2,0|1,0,0]=3 706 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 1626a_100000106764_100011207963 [0,0,0,0,2,0|1,0,0]=3 707 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 22a_100000106764_100011207963 [0,0,0,0,2,0|1,0,0]=3 708 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 527a_100000106764_100011207963 [0,0,0,0,2,0|1,0,0]=3 709 B19R2.8900 O=C(CCCc1ccccn1)Cc2ccccc2 1458a_100000752327_100015291786 [0,0,0,0,2,0|1,0,1]=4 710 B19R2.8900 O=C(CCCc1ccccn1)Nc2ccccc2 11a_100000106764_100000752327 [0,0,0,0,2,0|2,0,0]=4 711 B19R2.8900 O=C(CCCc1ccccn1)Nc2ccccc2 1626a_100000106764_100000752327 [0,0,0,0,2,0|2,0,0]=4 712 B19R2.8900 O=C(CCCc1ccccn1)Nc2ccccc2 22a_100000106764_100000752327 [0,0,0,0,2,0|2,0,0]=4 713 B19R2.8900 O=C(CCCc1ccccn1)Nc2ccccc2 527a_100000106764_100000752327 [0,0,0,0,2,0|2,0,0]=4 714 B19R2.8900 O=C(CCCc1ccncc1)Cc2ccccc2 1458a_100020654287_100015291786 [0,0,0,0,2,0|1,0,1]=4 715 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 11a_100000106764_100020654287 [0,0,0,0,2,0|2,0,0]=4 716 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 1626a_100000106764_100020654287 [0,0,0,0,2,0|2,0,0]=4 717 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 22a_100000106764_100020654287 [0,0,0,0,2,0|2,0,0]=4 718 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 527a_100000106764_100020654287 [0,0,0,0,2,0|2,0,0]=4 719 B19R2.8900 O=C(CCNc1ccccc1)Nc2ccccc2 34a_100000106764_100000242058 [0,0,0,0,2,0|2,0,0]=4 720 B19R2.8900 O=C(CCOc1ccccc1)Cc2ccccc2 1458a_100000182761_100015291786 [0,0,0,0,2,0|1,0,1]=4 721 B19R2.8900 O=C(CCOc1ccccc1)Nc2ccccc2 11a_100000106764_100000182761 [0,0,0,0,2,0|2,0,0]=4 722 B19R2.8900 O=C(CCOc1ccccc1)Nc2ccccc2 1626a_100000106764_100000182761 [0,0,0,0,2,0|2,0,0]=4 723 B19R2.8900 O=C(CCOc1ccccc1)Nc2ccccc2 22a_100000106764_100000182761 [0,0,0,0,2,0|2,0,0]=4 724 B19R2.8900 O=C(CCOc1ccccc1)Nc2ccccc2 34a_100000210340_100000242058 [0,0,0,0,2,0|2,0,0]=4 725 B19R2.8900 O=C(CCOc1ccccc1)Nc2ccccc2 7a_100000210340_100000242058 [0,0,0,0,2,0|2,0,0]=4 726 B19R2.8900 O=C(CCOc1ccccc1)Oc2ccccc2 7a_100000210340_200000035796 [0,0,0,0,2,0|2,0,0]=4 727 B19R2.8900 O=C(CCSc1ccccc1)Cc2ccccc2 1458a_100000182436_100015291786 [0,0,0,0,2,0|1,0,1]=4 728 B19R2.8900 O=C(CCSc1ccccc1)Nc2ccccc2 11a_100000106764_100000182436 [0,0,0,0,2,0|2,0,0]=4 729 B19R2.8900 O=C(CCSc1ccccc1)Nc2ccccc2 1626a_100000106764_100000182436 [0,0,0,0,2,0|2,0,0]=4 730 B19R2.8900 O=C(CCSc1ccccc1)Nc2ccccc2 22a_100000106764_100000182436 [0,0,0,0,2,0|2,0,0]=4 731 B19R2.8900 O=C(CCSc1ccccc1)Nc2ccccc2 62a_100000719477_100000242058 [0,0,0,0,2,0|2,0,0]=4 732 B19R2.8900 O=C(CCSc1ccccc1)Oc2ccccc2 62a_100000719477_200000035796 [0,0,0,0,2,0|2,0,0]=4 733 B19R2.8900 O=C(CNCc1ccccc1)Cc2ccccc2 2230a_100015324214_100000233483 [0,0,0,0,2,0|1,0,1]=4 734 B19R2.8900 O=C(CNCc1ccccc1)Nc2ccccc2 2230a_100015324214_100000182850 [0,0,0,0,2,0|2,0,0]=4 735 B19R2.8900 O=C(CNCc1ccccc1)Nc2ccccc2 270004a_100000742222_100015611070 [0,0,0,0,2,0|2,0,0]=4 736 B19R2.8900 O=C(CNCc1ccccc1)Nc2ccccc2 34a_100015324214_100000182850 [0,0,0,0,2,0|2,0,0]=4 737 B19R2.8900 O=C(CNCc1ccccc1)Oc2ccccc2 2230a_100015324214_100009813826 [0,0,0,0,2,0|2,0,0]=4 738 B19R2.8900 O=C(CNCc1ccccc1)Oc2ccccc2 34a_100015324214_100009813826 [0,0,0,0,2,0|2,0,0]=4 739 B19R2.8900 O=C(COCc1ccccc1)Cc2ccccc2 1458a_100000230186_100015291786 [0,0,0,0,2,0|1,0,1]=4 740 B19R2.8900 O=C(COCc1ccccc1)Cc2ccccc2 7a_100000210790_100000233483 [0,0,0,0,2,0|1,0,1]=4 741 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 11a_100000106764_100000230186 [0,0,0,0,2,0|2,0,0]=4 742 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 1626a_100000106764_100000230186 [0,0,0,0,2,0|2,0,0]=4 743 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 22a_100000106764_100000230186 [0,0,0,0,2,0|2,0,0]=4 744 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 34a_100000210790_100000182850 [0,0,0,0,2,0|2,0,0]=4 745 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 34a_100000246334_100015291786 [0,0,0,0,2,0|2,0,0]=4 746 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 527a_100000106764_100000230186 [0,0,0,0,2,0|2,0,0]=4 747 B19R2.8900 O=C(COCc1ccccc1)Nc2ccccc2 7a_100000210790_100000182850 [0,0,0,0,2,0|2,0,0]=4 748 B19R2.8900 O=C(COCc1ccccc1)Oc2ccccc2 34a_100000210790_100009813826 [0,0,0,0,2,0|2,0,0]=4 749 B19R2.8900 O=C(COCc1ccccc1)Oc2ccccc2 7a_100000210790_100009813826 [0,0,0,0,2,0|2,0,0]=4 750 B19R2.8900 O=C(CSCc1ccccc1)Cc2ccccc2 1458a_100000150264_100015291786 [0,0,0,0,2,0|1,0,1]=4 751 B19R2.8900 O=C(CSCc1ccccc1)Cc2ccccc2 62a_100000211182_100000233483 [0,0,0,0,2,0|1,0,1]=4 752 B19R2.8900 O=C(CSCc1ccccc1)Cc2ccccc2 62a_100000233483_100015291786 [0,0,0,0,2,0|1,0,1]=4 753 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 11a_100000106764_100000150264 [0,0,0,0,2,0|2,0,0]=4 754 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 1626a_100000106764_100000150264 [0,0,0,0,2,0|2,0,0]=4 755 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 22a_100000106764_100000150264 [0,0,0,0,2,0|2,0,0]=4 756 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 527a_100000106764_100000150264 [0,0,0,0,2,0|2,0,0]=4 757 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 62a_100000211182_100000182850 [0,0,0,0,2,0|2,0,0]=4 758 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 62a_100012148978_100015291786 [0,0,0,0,2,0|2,0,0]=4 759 B19R2.8900 O=C(CSCc1ccccc1)Oc2ccccc2 62a_100000211182_100009813826 [0,0,0,0,2,0|2,0,0]=4 760 B19R2.8900 O=C(CSCc1ccccc1)Oc2ccccc2 62a_100009813826_100015291786 [0,0,0,0,2,0|2,0,0]=4 761 B19R2.8900 O=C(NCCc1ccccc1)Nc2ccccc2 2430a_100000106764_100000106460 [0,0,0,0,2,0|2,0,0]=4 762 B19R2.113693 O=C(C=Cc1c[nH]cn1)CCCc2ccccc2 1458a_100102678534_100000211621 [0,0,0,0,2,0|2,0,0]=4 763 B19R2.113693 O=C(C=Cc1cccs1)CCCc2ccccc2 1458a_100000182767_100000211621 [0,0,0,0,2,0|1,0,0]=3 764 B19R2.113693 O=C(C=Cc1cccs1)CCOc2ccccc2 1458a_100000182767_100000184471 [0,0,0,0,2,0|2,0,0]=4 765 B19R2.113693 O=C(C=Cc1cccs1)CCSc2ccccc2 1458a_100000182767_100000246102 [0,0,0,0,2,0|2,0,0]=4 766 B19R2.113693 O=C(C=Cc1cccs1)CSCc2ccccc2 1458a_100000182767_200011217039 [0,0,0,0,2,0|2,0,0]=4 767 B19R2.113693 O=C(C=Cc1cccs1)NCCc2ccccc2 11a_100000106460_100000182767 [0,0,0,0,2,0|2,0,0]=4 768 B19R2.113693 O=C(C=Cc1cccs1)NCCc2ccccc2 1626a_100000106460_100000182767 [0,0,0,0,2,0|2,0,0]=4 769 B19R2.113693 O=C(C=Cc1cccs1)NCCc2ccccc2 240690a_100000106460_100000182767 [0,0,0,0,2,0|2,0,0]=4 770 B19R2.113693 O=C(C=Cc1ccoc1)CCCc2ccccc2 1458a_100000238621_100000211621 [0,0,0,0,2,0|1,0,0]=3 771 B19R2.113693 O=C(C=Cc1ccoc1)CCOc2ccccc2 1458a_100000238621_100000184471 [0,0,0,0,2,0|2,0,0]=4 772 B19R2.113693 O=C(C=Cc1ccoc1)CCSc2ccccc2 1458a_100000238621_100000246102 [0,0,0,0,2,0|2,0,0]=4 773 B19R2.113693 O=C(C=Cc1ccoc1)CSCc2ccccc2 1458a_100000238621_200011217039 [0,0,0,0,2,0|2,0,0]=4 774 B19R2.113693 O=C(C=Cc1ccoc1)NCCc2ccccc2 11a_100000106460_100000238621 [0,0,0,0,2,0|2,0,0]=4 775 B19R2.113693 O=C(C=Cc1ccoc1)NCCc2ccccc2 1626a_100000106460_100000238621 [0,0,0,0,2,0|2,0,0]=4 776 B19R2.113693 O=C(C=Cc1ccoc1)NCCc2ccccc2 240690a_100000106460_100000238621 [0,0,0,0,2,0|2,0,0]=4 777 B19R2.113693 O=C(C=Cc1ccsc1)CCCc2ccccc2 1458a_100000698588_100000211621 [0,0,0,0,2,0|1,0,0]=3 778 B19R2.113693 O=C(C=Cc1ccsc1)CCOc2ccccc2 1458a_100000698588_100000184471 [0,0,0,0,2,0|2,0,0]=4 779 B19R2.113693 O=C(C=Cc1ccsc1)CCSc2ccccc2 1458a_100000698588_100000246102 [0,0,0,0,2,0|2,0,0]=4 780 B19R2.113693 O=C(C=Cc1ccsc1)CSCc2ccccc2 1458a_100000698588_200011217039 [0,0,0,0,2,0|2,0,0]=4 781 B19R2.113693 O=C(C=Cc1ccsc1)NCCc2ccccc2 11a_100000106460_100000698588 [0,0,0,0,2,0|2,0,0]=4 782 B19R2.113693 O=C(C=Cc1ccsc1)NCCc2ccccc2 1626a_100000106460_100000698588 [0,0,0,0,2,0|2,0,0]=4 783 B19R2.113693 O=C(C=Cc1ccsc1)NCCc2ccccc2 240690a_100000106460_100000698588 [0,0,0,0,2,0|2,0,0]=4 784 B19R2.113693 O=C(C=Cc1ccsc1)NCCc2ccccc2 527a_100000106460_100000698588 [0,0,0,0,2,0|2,0,0]=4 785 B19R2.113693 O=C(C=Cc1cscn1)CCCc2ccccc2 1458a_200000747928_100000211621 [0,0,0,0,2,0|2,0,0]=4 786 B19R2.113693 O=C(C=Cc1nccs1)CCCc2ccccc2 1458a_100102558208_100000211621 [0,0,0,0,2,0|2,0,0]=4 787 B19R2.113698 O=C(C=Cc1ccccc1)CCCc2cccs2 1458a_100000210462_100010992444 [0,0,0,0,2,0|1,0,0]=3 788 B19R2.113698 O=C(C=Cc1ccccc1)CCCn2cccc2 1458a_100000210462_200009814367 [0,0,0,0,2,0|1,0,0]=3 789 B19R2.113698 O=C(C=Cc1ccccc1)CCCn2cccn2 1458a_100000210462_100000739983 [0,0,0,0,2,0|2,0,0]=4 790 B19R2.113698 O=C(C=Cc1ccccc1)CCCn2ccnc2 1458a_100000210462_100000756272 [0,0,0,0,2,0|2,0,0]=4 791 B19R2.113698 O=C(C=Cc1ccccc1)NCCc2ccco2 11a_100000694680_100000210462 [0,0,0,0,2,0|2,0,0]=4 792 B19R2.113698 O=C(C=Cc1ccccc1)NCCc2ccco2 1626a_100000694680_100000210462 [0,0,0,0,2,0|2,0,0]=4 793 B19R2.113698 O=C(C=Cc1ccccc1)NCCc2cccs2 11a_100000203755_100000210462 [0,0,0,0,2,0|2,0,0]=4 794 B19R2.113698 O=C(C=Cc1ccccc1)NCCc2cccs2 1626a_100000203755_100000210462 [0,0,0,0,2,0|2,0,0]=4 795 B19R2.113698 O=C(C=Cc1ccccc1)NCCc2ccsc2 11a_100000692642_100000210462 [0,0,0,0,2,0|2,0,0]=4 796 B19R2.113698 O=C(C=Cc1ccccc1)NCCc2ccsc2 1626a_100000692642_100000210462 [0,0,0,0,2,0|2,0,0]=4 797 B19R2.113698 O=C(C=Cc1ccccc1)NCCn2cccc2 11a_100011368172_100000210462 [0,0,0,0,2,0|2,0,0]=4 798 B19R2.113698 O=C(C=Cc1ccccn1)CCCc2cccs2 1458a_100000740811_100010992444 [0,0,0,0,2,0|2,0,0]=4 799 B19R2.113698 O=C(C=Cc1ccccn1)CCCn2cccc2 1458a_100000740811_200009814367 [0,0,0,0,2,0|2,0,0]=4 800 B19R2.113698 O=C(C=Cc1cccnc1)CCCc2cccs2 1458a_100000735890_100010992444 [0,0,0,0,2,0|2,0,0]=4 801 B19R2.113698 O=C(C=Cc1cccnc1)CCCn2cccc2 1458a_100000735890_200009814367 [0,0,0,0,2,0|2,0,0]=4 802 B19R2.113698 O=C(C=Cc1ccncc1)CCCc2cccs2 1458a_100000682801_100010992444 [0,0,0,0,2,0|2,0,0]=4 803 B19R2.113698 O=C(C=Cc1ccncc1)CCCn2cccc2 1458a_100000682801_200009814367 [0,0,0,0,2,0|2,0,0]=4 804 B19R2.16162 O=C(C#Cc1ccccc1)CCc2ccccc2 1458a_100000736102_100000765856 [0,0,0,0,2,0|0,0,2]=4 805 B19R2.16162 O=C(C=Cc1ccccc1)CCc2ccccc2 1458a_100000210462_100000765856 [0,0,0,0,2,0|0,0,0]=2 806 B19R2.16162 O=C(C=Cc1ccccc1)CCc2ccccn2 1458a_100000210462_100015183660 [0,0,0,0,2,0|1,0,0]=3 807 B19R2.16162 O=C(C=Cc1ccccc1)CCc2cccnc2 1458a_100000210462_200011713674 [0,0,0,0,2,0|1,0,0]=3 808 B19R2.16162 O=C(C=Cc1ccccc1)CCc2ccncc2 1458a_100000210462_100000723409 [0,0,0,0,2,0|1,0,0]=3 809 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccccc2 11a_100015324214_100000210462 [0,0,0,0,2,0|1,0,0]=3 810 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccccc2 1626a_100015324214_100000210462 [0,0,0,0,2,0|1,0,0]=3 811 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccccn2 11a_100000210449_100000210462 [0,0,0,0,2,0|2,0,0]=4 812 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccccn2 1626a_100000210449_100000210462 [0,0,0,0,2,0|2,0,0]=4 813 B19R2.16162 O=C(C=Cc1ccccc1)NCc2cccnc2 11a_100000210453_100000210462 [0,0,0,0,2,0|2,0,0]=4 814 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccncc2 11a_100000210450_100000210462 [0,0,0,0,2,0|2,0,0]=4 815 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccncc2 1626a_100000210450_100000210462 [0,0,0,0,2,0|2,0,0]=4 816 B19R2.16162 O=C(C=Cc1ccccc1)NNc2ccccc2 22a_100015195140_100000210462 [0,0,0,0,2,0|2,0,0]=4 817 B19R2.16162 O=C(C=Cc1ccccn1)CCc2ccccc2 1458a_100000740811_100000765856 [0,0,0,0,2,0|1,0,0]=3 818 B19R2.16162 O=C(C=Cc1ccccn1)CCc2ccccn2 1458a_100000740811_100015183660 [0,0,0,0,2,0|2,0,0]=4 819 B19R2.16162 O=C(C=Cc1ccccn1)CCc2cccnc2 1458a_100000740811_200011713674 [0,0,0,0,2,0|2,0,0]=4 820 B19R2.16162 O=C(C=Cc1ccccn1)CCc2ccncc2 1458a_100000740811_100000723409 [0,0,0,0,2,0|2,0,0]=4 821 B19R2.16162 O=C(C=Cc1ccccn1)NCc2ccccc2 11a_100015324214_100000740811 [0,0,0,0,2,0|2,0,0]=4 822 B19R2.16162 O=C(C=Cc1ccccn1)NCc2ccccc2 240690a_100015324214_100000740811 [0,0,0,0,2,0|2,0,0]=4 823 B19R2.16162 O=C(C=Cc1cccnc1)CCc2ccccc2 1458a_100000735890_100000765856 [0,0,0,0,2,0|1,0,0]=3 824 B19R2.16162 O=C(C=Cc1cccnc1)CCc2ccccn2 1458a_100000735890_100015183660 [0,0,0,0,2,0|2,0,0]=4 825 B19R2.16162 O=C(C=Cc1cccnc1)CCc2cccnc2 1458a_100000735890_200011713674 [0,0,0,0,2,0|2,0,0]=4 826 B19R2.16162 O=C(C=Cc1cccnc1)CCc2ccncc2 1458a_100000735890_100000723409 [0,0,0,0,2,0|2,0,0]=4 827 B19R2.16162 O=C(C=Cc1cccnc1)NCc2ccccc2 11a_100015324214_100000735890 [0,0,0,0,2,0|2,0,0]=4 828 B19R2.16162 O=C(C=Cc1cccnc1)NCc2ccccc2 240690a_100015324214_100000735890 [0,0,0,0,2,0|2,0,0]=4 829 B19R2.16162 O=C(C=Cc1ccncc1)CCc2ccccc2 1458a_100000682801_100000765856 [0,0,0,0,2,0|1,0,0]=3 830 B19R2.16162 O=C(C=Cc1ccncc1)CCc2ccccn2 1458a_100000682801_100015183660 [0,0,0,0,2,0|2,0,0]=4 831 B19R2.16162 O=C(C=Cc1ccncc1)CCc2cccnc2 1458a_100000682801_200011713674 [0,0,0,0,2,0|2,0,0]=4 832 B19R2.16162 O=C(C=Cc1ccncc1)CCc2ccncc2 1458a_100000682801_100000723409 [0,0,0,0,2,0|2,0,0]=4 833 B19R2.16162 O=C(C=Cc1ccncc1)NCc2ccccc2 240690a_100015324214_100000682801 [0,0,0,0,2,0|2,0,0]=4 834 B19R2.16162 O=C(C=Cc1cncnc1)CCc2ccccc2 6a_100000749868_100000210092 [0,0,0,0,2,0|2,0,0]=4 835 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 1458a_100000185753_100000765856 [0,0,0,0,2,0|0,0,2]=4 836 B19R2.16162 O=C(CCc1ccccc1)CNc2ccccc2 34a_100000106764_100012361361 [0,0,0,0,2,0|1,0,1]=4 837 B19R2.16162 O=C(CCc1ccccc1)COc2ccccc2 1458a_100000186222_100000765856 [0,0,0,0,2,0|1,0,1]=4 838 B19R2.16162 O=C(CCc1ccccc1)COc2ccccc2 34a_100000210340_100012361361 [0,0,0,0,2,0|1,0,1]=4 839 B19R2.16162 O=C(CCc1ccccc1)COc2ccccc2 7a_100000210340_100012361361 [0,0,0,0,2,0|1,0,1]=4 840 B19R2.16162 O=C(CCc1ccccc1)CSc2ccccc2 1458a_100000211596_100000765856 [0,0,0,0,2,0|1,0,1]=4 841 B19R2.16162 O=C(CCc1ccccc1)CSc2ccccc2 62a_100000719477_100012361361 [0,0,0,0,2,0|1,0,1]=4 842 B19R2.16162 O=C(CCc1ccccc1)CSc2ccccc2 62a_100012361361_100000041952 [0,0,0,0,2,0|1,0,1]=4 843 B19R2.16162 O=C(CCc1ccccc1)NCc2ccccc2 11a_100015324214_100000185753 [0,0,0,0,2,0|1,0,1]=4 844 B19R2.16162 O=C(CCc1ccccc1)NCc2ccccc2 1626a_100015324214_100000185753 [0,0,0,0,2,0|1,0,1]=4 845 B19R2.16162 O=C(CCc1ccccc1)NCc2ccccc2 240690a_100015324214_100000185753 [0,0,0,0,2,0|1,0,1]=4 846 B19R2.16162 O=C(CCc1ccccc1)NCc2ccccc2 527a_100015324214_100000185753 [0,0,0,0,2,0|1,0,1]=4 847 B19R2.16162 O=C(CCc1ccccc1)NNc2ccccc2 22a_100015195140_100000185753 [0,0,0,0,2,0|2,0,0]=4 848 B19R2.16162 O=C(CNc1ccccc1)OCc2ccccc2 34a_100000106764_100000753625 [0,0,0,0,2,0|1,0,1]=4 849 B19R2.16162 O=C(COc1ccccc1)OCc2ccccc2 34a_100000210340_100000753625 [0,0,0,0,2,0|1,0,1]=4 850 B19R2.16162 O=C(COc1ccccc1)OCc2ccccc2 7a_100000210340_100000753625 [0,0,0,0,2,0|1,0,1]=4 851 B19R2.16162 O=C(CSc1ccccc1)OCc2ccccc2 62a_100000719477_100000753625 [0,0,0,0,2,0|1,0,1]=4 852 B19R2.16162 O=C(CSc1ccccc1)OCc2ccccc2 62a_100000753625_100000041952 [0,0,0,0,2,0|1,0,1]=4