0 B18R1.5801 CCCNCc1cc(cc(c1OC(C)C)OC)Cl 207a_100020643023_100011934500 [0,0,0,0,0,0|3,0,1]=4 1 B18R1.5801 CCCNCc1cc(cc(c1OC(C)C)OC)Cl 270004a_100020643023_100011934500 [0,0,0,0,0,0|3,0,1]=4 2 B19R1.27841 CCCCNCc1cc(cc(c1OC(C)C)OC)Cl 207a_100000102301_100011934500 [0,1,0,0,0,0|2,0,1]=4 3 B19R1.27841 CCCCNCc1cc(cc(c1OC(C)C)OC)Cl 270004a_100000102301_100011934500 [0,1,0,0,0,0|2,0,1]=4 4 B19R1.91621 CCCC=Cc1cc(cc(c1OC(=O)C)OC)C#N 271570a_100016258520_100009812363 [0,1,0,0,0,0|1,0,2]=4 5 B19R1.91621 CCCC=Cc1cc(cc(c1OC(=O)C)OC)C=O 271570a_100016258520_200000014698 [0,1,0,0,0,0|0,0,3]=4 6 B19R1.91621 CCCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000210211_100009812363 [0,1,0,0,0,0|2,0,0]=3 7 B19R1.91621 CCCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000210211_200000014698 [0,1,0,0,0,0|1,0,1]=3 8 B19R1.91621 CCOCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000739092_100009812363 [0,1,0,0,0,0|3,0,0]=4 9 B19R1.91621 CCOCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000739092_200000014698 [0,1,0,0,0,0|2,0,1]=4 10 B19R1.91621 COCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000233755_100009812363 [0,1,0,0,0,0|3,0,0]=4 11 B19R1.91621 COCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000233755_200000014698 [0,1,0,0,0,0|2,0,1]=4 12 B19R1.91621 COc1cc(cc(c1OC(=O)C)SCCCF)C#N 62a_100011934791_100009812363 [0,1,0,0,0,0|3,0,0]=4 13 B19R1.91621 COc1cc(cc(c1OC(=O)C)SCCCF)C=O 62a_100011934791_200000014698 [0,1,0,0,0,0|2,0,1]=4 14 B19R1.91621 COc1cc(cc(c1OC(=O)C)SCCCO)C#N 62a_100011215043_100009812363 [0,1,0,0,0,0|3,0,0]=4 15 B19R1.91621 COc1cc(cc(c1OC(=O)C)SCCCO)C=O 62a_100011215043_200000014698 [0,1,0,0,0,0|2,0,1]=4 16 B19R1.91621 COc1cc(cc(c1OC(=O)C)SCCSC)C#N 62a_100000212216_100009812363 [0,1,0,0,0,0|3,0,0]=4 17 B19R1.91621 COc1cc(cc(c1OC(=O)C)SCCSC)C=O 62a_100000212216_200000014698 [0,1,0,0,0,0|2,0,1]=4 18 B16R1.4825 CCCNCc1cc(cc(c1OC)OC)Br 207a_100020643023_100009812253 [2,0,0,0,0,0|2,0,0]=4 19 B16R1.4825 CCCNCc1cc(cc(c1OC)OC)Br 270004a_100020643023_100009812253 [2,0,0,0,0,0|2,0,0]=4 20 B16R1.4825 CCCNCc1cc(cc(c1OC)OC)Cl 207a_100020643023_100011934202 [2,0,0,0,0,0|2,0,0]=4 21 B16R1.4825 CCCNCc1cc(cc(c1OC)OC)Cl 270004a_100020643023_100011934202 [2,0,0,0,0,0|2,0,0]=4 22 B16R1.60096 CCCNCc1cccc(c1OCC)OC 207a_100020643023_200000188546 [2,0,0,0,0,0|1,0,1]=4 23 B16R1.60096 CCCNCc1cccc(c1OCC)OC 270004a_100020643023_200000188546 [2,0,0,0,0,0|1,0,1]=4 24 B16R1.60069 CCCCOc1cccc(c1NC(=O)C)C 34a_100000103797_100000210210 [2,0,0,0,0,0|2,0,0]=4 25 B16R1.60069 CCCCOc1cccc(c1NC(=O)C)C 7a_100000103797_100000210211 [2,0,0,0,0,0|2,0,0]=4 26 B18R1.231413 CCCCc1cc(cc(c1OC(=O)C)OC)C#N 271570a_100020621405_100009812363 [1,1,0,0,0,0|1,0,0]=3 27 B18R1.231413 CCCCc1cc(cc(c1OC(=O)C)OC)C=O 271570a_100020621405_200000014698 [1,1,0,0,0,0|0,0,1]=3 28 B18R1.231413 CCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000210303_100009812363 [1,1,0,0,0,0|2,0,0]=4 29 B18R1.231413 CCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000210303_200000014698 [1,1,0,0,0,0|1,0,1]=4 30 B18R1.303818 CCCCC(=O)c1cccc(c1NC(=O)C)OC 1458a_200010423200_100000210211 [1,1,0,0,0,0|1,0,1]=4 31 B18R1.303818 CCCNC(=O)c1cccc(c1OC(=O)C)OC 240690a_100020643023_200010007709 [1,1,0,0,0,0|1,0,1]=4 32 B18R1.5820 CCCCNc1cc(cc(c1C(=O)N)OC)OC 34a_100009954513_100000210210 [0,1,0,0,1,0|2,0,0]=4 33 B18R1.5820 CCCCNc1cc(cc(c1C(=O)N)OC)OC 7a_100009954513_100000210211 [0,1,0,0,1,0|2,0,0]=4 34 B18R1.5820 CCCCOc1cc(cc(c1C(=O)C)OC)OC 34a_100000035976_100000210210 [0,1,0,0,1,0|1,0,0]=3 35 B18R1.5820 CCCCOc1cc(cc(c1C(=O)C)OC)OC 7a_100000035976_100000210211 [0,1,0,0,1,0|1,0,0]=3 36 B18R1.5820 COCCOc1cc(cc(c1C(=O)C)OC)OC 34a_100000035976_100011201679 [0,1,0,0,1,0|2,0,0]=4 37 B18R1.5820 COCCOc1cc(cc(c1C(=O)C)OC)OC 7a_100000035976_100000233755 [0,1,0,0,1,0|2,0,0]=4 38 B18R1.5820 COc1cc(c(c(c1)OCCCF)C(=O)C)OC 34a_100000035976_100011934791 [0,1,0,0,1,0|2,0,0]=4 39 B18R1.5820 COc1cc(c(c(c1)OCCCF)C(=O)C)OC 7a_100000035976_100011934791 [0,1,0,0,1,0|2,0,0]=4 40 B18R1.5820 COc1cc(c(c(c1)OCCCO)C(=O)C)OC 34a_100000035976_100000230001 [0,1,0,0,1,0|2,0,0]=4 41 B18R1.5820 COc1cc(c(c(c1)OCCCO)C(=O)C)OC 7a_100000035976_100011215043 [0,1,0,0,1,0|2,0,0]=4 42 B18R1.5820 COc1cc(c(c(c1)OCCSC)C(=O)C)OC 34a_100000035976_100000212216 [0,1,0,0,1,0|2,0,0]=4 43 B18R1.5820 COc1cc(c(c(c1)OCCSC)C(=O)C)OC 7a_100000035976_100000212216 [0,1,0,0,1,0|2,0,0]=4 44 B20R1.42532 CCC(C)CSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000748023_100009812363 [0,2,0,0,0,0|2,0,0]=4 45 B20R1.42532 CCC(C)CSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000748023_200000014698 [0,2,0,0,0,0|1,0,1]=4 46 B20R1.42532 CCC(O)CSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100011218378_100009812363 [0,2,0,0,0,0|2,0,0]=4 47 B20R1.42532 CCC(O)CSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100011218378_200000014698 [0,2,0,0,0,0|1,0,1]=4 48 B20R1.42532 CC[C@H](C)CSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100009816398_100009812363 [0,2,0,0,0,0|2,0,0]=4 49 B20R1.42532 CC[C@H](C)CSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100009816398_200000014698 [0,2,0,0,0,0|1,0,1]=4 50 B20R1.536339 COc1cc(cc(c1OC(=O)C)SCCC(C)C)C#N 62a_100000210312_100009812363 [0,2,0,0,0,0|2,0,0]=4 51 B20R1.536339 COc1cc(cc(c1OC(=O)C)SCCC(C)C)C=O 62a_100000210312_200000014698 [0,2,0,0,0,0|1,0,1]=4 52 B20R1.536339 COc1cc(cc(c1OC(=O)C)SCCC(C)O)C#N 62a_100012276601_100009812363 [0,2,0,0,0,0|2,0,0]=4 53 B20R1.536339 COc1cc(cc(c1OC(=O)C)SCCC(C)O)C=O 62a_100012276601_200000014698 [0,2,0,0,0,0|1,0,1]=4 54 B20R1.444106 CCCCC=Cc1cc(cc(c1OC(=O)C)OC)C#N 271570a_100016275911_100009812363 [0,2,0,0,0,0|1,0,1]=4 55 B20R1.444106 CCCCC=Cc1cc(cc(c1OC(=O)C)OC)C=O 271570a_100016275911_200000014698 [0,2,0,0,0,0|0,0,2]=4 56 B20R1.444106 CCCCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000210326_100009812363 [0,2,0,0,0,0|1,0,0]=3 57 B20R1.444106 CCCCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000210326_200000014698 [0,2,0,0,0,0|0,0,1]=3 58 B20R1.444106 CCOCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000210147_100009812363 [0,2,0,0,0,0|2,0,0]=4 59 B20R1.444106 CCOCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000210147_200000014698 [0,2,0,0,0,0|1,0,1]=4 60 B20R1.444106 CCSCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000757381_100009812363 [0,2,0,0,0,0|2,0,0]=4 61 B20R1.444106 CCSCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000757381_200000014698 [0,2,0,0,0,0|1,0,1]=4 62 B20R1.444106 COCCCSc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000709357_100009812363 [0,2,0,0,0,0|2,0,0]=4 63 B20R1.444106 COCCCSc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000709357_200000014698 [0,2,0,0,0,0|1,0,1]=4 64 B20R1.444106 COc1cc(cc(c1OC(=O)C)SCCCCF)C#N 62a_100000729493_100009812363 [0,2,0,0,0,0|2,0,0]=4 65 B20R1.444106 COc1cc(cc(c1OC(=O)C)SCCCCF)C=O 62a_100000729493_200000014698 [0,2,0,0,0,0|1,0,1]=4 66 B20R1.444106 COc1cc(cc(c1OC(=O)C)SCCCCO)C#N 62a_100000210776_100009812363 [0,2,0,0,0,0|2,0,0]=4 67 B20R1.444106 COc1cc(cc(c1OC(=O)C)SCCCCO)C=O 62a_100000210776_200000014698 [0,2,0,0,0,0|1,0,1]=4 68 B20R1.127277 CCCCSc1cc(cc(c1OC(=O)C)OCC)C=O 62a_100000210211_200000014723 [0,2,0,0,0,0|1,0,1]=4 69 B20R1.1507060 CCCC(C)Sc1cc(cc(c1OC(=O)C)OC)C#N 62a_100000766640_100009812363 [0,2,0,0,0,0|2,0,0]=4 70 B20R1.1507060 CCCC(C)Sc1cc(cc(c1OC(=O)C)OC)C=O 62a_100000766640_200000014698 [0,2,0,0,0,0|1,0,1]=4 71 B18R1.35220 CCCCCC=Cc1cc(cc(c1)C(=O)C)OC 271570a_100000062253_100010713257 [0,0,1,1,0,0|2,0,0]=4 72 B18R2.2553732 CCCCNc1cc(cc2c1C(=O)CCO2)F 27a_100000102301_100010133418 [0,0,0,1,1,0|2,0,0]=4 73 B18R2.2553732 CCCCSc1cc(cc2c1C(=O)CCO2)F 62a_100000210211_100010133418 [0,0,0,1,1,0|2,0,0]=4 74 B18R2.2553732 CCCCSc1cc(cc2c1C(=O)CCO2)F 62a_100010133418_100000210210 [0,0,0,1,1,0|2,0,0]=4 75 B20R2.960209 COc1cc(cc(c1OC(=O)C)SCC2CC2)C#N 62a_100000756562_100009812363 [0,1,0,1,0,0|2,0,0]=4 76 B20R2.960209 COc1cc(cc(c1OC(=O)C)SCC2CC2)C=O 62a_100000756562_200000014698 [0,1,0,1,0,0|1,0,1]=4 77 B16R1.4846 CCCCCc1cc(cc(c1C(=O)C)O)O 1458a_100011162377_200000210301 [1,0,0,0,1,0|0,0,0]=2 78 B16R1.4846 CCCCCc1cc(cc(c1C(=O)[13CH3])O)O 1458a_100011162377_200025704644 [1,0,0,0,1,0|0,0,0]=2 79 B16R1.60098 CCCC=Cc1cccc(c1C(=O)C)OC 271570a_100016258520_100010725609 [1,0,0,0,1,0|0,0,2]=4 80 B16R1.60098 CCCCNc1cccc(c1C(=O)N)OC 34a_200012186629_100000210210 [1,0,0,0,1,0|2,0,0]=4 81 B16R1.60098 CCCCOc1cccc(c1C(=O)C)OC 34a_100000691520_100000210210 [1,0,0,0,1,0|1,0,0]=3 82 B16R1.60098 CCCCOc1cccc(c1C(=O)C)OC 7a_100000691520_100000210211 [1,0,0,0,1,0|1,0,0]=3 83 B16R1.60098 CCCCSc1cccc(c1C(=O)C)OC 62a_100010725609_100000210210 [1,0,0,0,1,0|1,0,0]=3 84 B16R1.60098 CCCCSc1cccc(c1C(=O)N)OC 62a_200010146778_100000210210 [1,0,0,0,1,0|2,0,0]=4 85 B16R1.60098 CCOCSc1cccc(c1C(=O)C)OC 62a_100010725609_100000739092 [1,0,0,0,1,0|2,0,0]=4 86 B16R1.60098 COCCOc1cccc(c1C(=O)C)OC 34a_100000691520_100011201679 [1,0,0,0,1,0|2,0,0]=4 87 B16R1.60098 COCCOc1cccc(c1C(=O)C)OC 7a_100000691520_100000233755 [1,0,0,0,1,0|2,0,0]=4 88 B16R1.60098 COCCSc1cccc(c1C(=O)C)OC 62a_100010725609_100000233755 [1,0,0,0,1,0|2,0,0]=4 89 B16R1.60098 COc1cccc(c1C(=O)C)OCCCF 34a_100000691520_100011934791 [1,0,0,0,1,0|2,0,0]=4 90 B16R1.60098 COc1cccc(c1C(=O)C)OCCCF 7a_100000691520_100011934791 [1,0,0,0,1,0|2,0,0]=4 91 B16R1.60098 COc1cccc(c1C(=O)C)OCCCO 34a_100000691520_100000230001 [1,0,0,0,1,0|2,0,0]=4 92 B16R1.60098 COc1cccc(c1C(=O)C)OCCCO 7a_100000691520_100011215043 [1,0,0,0,1,0|2,0,0]=4 93 B16R1.60098 COc1cccc(c1C(=O)C)OCCSC 34a_100000691520_100000212216 [1,0,0,0,1,0|2,0,0]=4 94 B16R1.60098 COc1cccc(c1C(=O)C)OCCSC 7a_100000691520_100000212216 [1,0,0,0,1,0|2,0,0]=4 95 B16R1.60098 COc1cccc(c1C(=O)C)SCCCF 62a_100010725609_100011934791 [1,0,0,0,1,0|2,0,0]=4 96 B16R1.60098 COc1cccc(c1C(=O)C)SCCCO 62a_100010725609_100011215043 [1,0,0,0,1,0|2,0,0]=4 97 B16R1.60098 COc1cccc(c1C(=O)C)SCCSC 62a_100010725609_100000751147 [1,0,0,0,1,0|2,0,0]=4 98 B18R1.181038 C=C(C)COc1c(cccc1OC)CNCCC 207a_100020643023_100000188549 [1,0,0,0,0,1|2,0,0]=4 99 B18R1.181038 C=C(C)COc1c(cccc1OC)CNCCC 270004a_100020643023_100000188549 [1,0,0,0,0,1|2,0,0]=4 100 B18R1.71799 CCCCSc1cc(c(cc1F)OC)OC(=O)C 62a_100000210211_206258170532 [0,0,0,0,1,1|2,0,0]=4