0 B17R2.6039 CCC(NC1CNC(=O)C1)c2ccccc2 269862a_100000697751_100000210124 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.6039 CCC(Nc1noc(n1)C)c2ccccc2 27a_100000737752_100012003639 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.6039 CCC(OC1COC(=O)O1)c2ccccc2 34a_100000698172_100000032252 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.6039 CCN(CC1=CC(=O)OC1)c2ccccc2 34a_100000210013_100000716558 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.6039 CCN(CC1CNC(=O)O1)c2ccccc2 2230a_100000210013_100000181169 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.6039 CCN(CC1CNC(=O)O1)c2ccccc2 269982a_100000210013_100000181169 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.6039 CCN(CC1CNC(=O)O1)c2ccccc2 34a_100000210013_100000181169 [0,0,0,0,0,0|4,0,0]=4 7 B17R2.6039 CCN(CC1COC(=O)O1)c2ccccc2 269982a_100000210013_100000073702 [0,0,0,0,0,0|3,0,0]=3 8 B17R2.6039 CCN(CC1COC(=O)O1)c2ccccc2 34a_100000210013_100000073702 [0,0,0,0,0,0|3,0,0]=3 9 B17R2.6039 CCN(C[C@@H]1CCC(=O)N1)c2ccccc2 2230a_100000210013_100015189358 [0,0,0,0,0,0|3,0,1]=4 10 B17R2.6039 CCN(C[C@@H]1CCC(=O)N1)c2ccccc2 269982a_100000210013_100015189358 [0,0,0,0,0,0|3,0,1]=4 11 B17R2.6039 CCN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210013_100015307671 [0,0,0,0,0,0|2,0,1]=3 12 B17R2.6039 CCN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210013_100015307671 [0,0,0,0,0,0|2,0,1]=3 13 B17R2.6039 CCN(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210013_100015307671 [0,0,0,0,0,0|2,0,1]=3 14 B17R2.6039 CCN(Cc1noc(n1)C)c2ccccc2 2230a_100000210013_100000231061 [0,0,0,0,0,0|3,0,1]=4 15 B17R2.6039 CCN(Cc1noc(n1)C)c2ccccc2 269982a_100000210013_100000231061 [0,0,0,0,0,0|3,0,1]=4 16 B17R2.6039 CCN(Cc1noc(n1)C)c2ccccc2 34a_100000210013_100000231061 [0,0,0,0,0,0|3,0,1]=4 17 B17R2.6039 NCC(OC1COC(=O)O1)c2ccccc2 34a_100000210709_100000032252 [0,0,0,0,0,0|4,0,0]=4 18 B17R2.6039 O=C1OCC(O1)N[C@H](CO)c2ccccc2 34a_100000751927_100000032252 [0,0,0,0,0,0|4,0,0]=4 19 B17R2.6039 O=C1OCC(O1)O[C@H](CCl)c2ccccc2 34a_100011933945_100000032252 [0,0,0,0,0,0|4,0,0]=4 20 B16R2.685 CCC(NC1CC=CC1)c2ccccc2 269862a_100015188752_100000210124 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.685 CCC(NC1CCOC1)c2ccccc2 2230a_100000737752_100000731011 [1,0,0,0,0,0|2,0,1]=4 22 B16R2.685 CCC(NC1CCOC1)c2ccccc2 270004a_100000737752_100000752484 [1,0,0,0,0,0|2,0,1]=4 23 B16R2.685 CCC(N[C@@H]1CCOC1)c2ccccc2 269862a_200015188469_100000210124 [1,0,0,0,0,0|2,0,1]=4 24 B16R2.685 CCC(N[C@H]1CCOC1)c2ccccc2 269862a_100015188467_100000210124 [1,0,0,0,0,0|2,0,1]=4 25 B16R2.685 CCC(OC1CCOC1)c2ccccc2 34a_100000698172_100000690089 [1,0,0,0,0,0|2,0,1]=4 26 B16R2.685 CCC(OC1CCOC1)c2ccccc2 7a_100000698172_100000731011 [1,0,0,0,0,0|2,0,1]=4 27 B16R2.685 CCN(CC1CCOC1)c2ccccc2 2230a_100000210013_100000702531 [1,0,0,0,0,0|2,0,1]=4 28 B16R2.685 CCN(CC1CCOC1)c2ccccc2 2230a_200000738387_100000210202 [1,0,0,0,0,0|2,0,1]=4 29 B16R2.685 CCN(CC1CCOC1)c2ccccc2 269982a_100000210013_100000702531 [1,0,0,0,0,0|2,0,1]=4 30 B16R2.685 CCN(CC1CCOC1)c2ccccc2 269982a_200000738387_100000204670 [1,0,0,0,0,0|2,0,1]=4 31 B16R2.685 CCN(CC1CCOC1)c2ccccc2 34a_100000210013_100011261433 [1,0,0,0,0,0|2,0,1]=4 32 B16R2.685 CCN(CC1CCOC1)c2ccccc2 34a_200000738387_100000210202 [1,0,0,0,0,0|2,0,1]=4 33 B16R2.685 CCN(Cc1ncon1)c2ccccc2 269982a_100000210013_100000233494 [1,0,0,0,0,0|2,0,1]=4 34 B16R2.685 CCN(Cc1ncon1)c2ccccc2 34a_100000210013_100000233494 [1,0,0,0,0,0|2,0,1]=4 35 B16R2.2829 CC(Cc1csc(n1)N)c2ccccc2 271570a_100000062452_100011998049 [1,0,0,0,0,0|0,1,2]=4 36 B16R2.2829 CC(Cc1n[nH]c(n1)N)c2ccccc2 271570a_100000062452_100015184587 [1,0,0,0,0,0|2,0,1]=4 37 B16R2.2829 CC(Cc1nc(cs1)N)c2ccccc2 271570a_100000062452_200015188442 [1,0,0,0,0,0|2,0,1]=4 38 B16R2.2829 CC(SC1COC(=O)O1)c2ccccc2 62a_100000230085_100000032252 [1,0,0,0,0,0|3,0,0]=4 39 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 269982a_100000210012_100000073702 [1,0,0,0,0,0|3,0,0]=4 40 B16R2.2829 CN(CC1COC(=O)O1)c2ccccc2 34a_100000210012_100000073702 [1,0,0,0,0,0|3,0,0]=4 41 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210012_100015307671 [1,0,0,0,0,0|2,0,1]=4 42 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210012_100015307671 [1,0,0,0,0,0|2,0,1]=4 43 B16R2.2829 CN(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210012_100015307671 [1,0,0,0,0,0|2,0,1]=4 44 B16R2.2829 C[C@@H](OC1COC(=O)O1)c2ccccc2 34a_100000761318_100000032252 [1,0,0,0,0,0|3,0,0]=4 45 B16R2.2829 Cc1nc(no1)CC(C)c2ccccc2 271570a_100000062452_100012003639 [1,0,0,0,0,0|2,0,1]=4 46 B18R2.201 CCC(NC1COC(=O)O1)c2ccc(cc2)C 34a_100000749201_100000032252 [0,1,0,0,0,0|3,0,0]=4 47 B18R2.201 CCC(NC1COC(=O)O1)c2ccc(cc2)F 34a_100011191751_100000032252 [0,1,0,0,0,0|3,0,0]=4 48 B18R2.201 CCC(NC1COC(=O)O1)c2ccc(cc2)O 34a_100015187210_100000032252 [0,1,0,0,0,0|3,0,0]=4 49 B18R2.201 CCC(OC1COC(=O)O1)c2ccc(cc2)Br 34a_100000246506_100000032252 [0,1,0,0,0,0|3,0,0]=4 50 B18R2.201 CCC(OC1COC(=O)O1)c2ccc(cc2)C 34a_100000246521_100000032252 [0,1,0,0,0,0|3,0,0]=4 51 B18R2.201 CCC(OC1COC(=O)O1)c2ccc(cc2)Cl 34a_100000246471_100000032252 [0,1,0,0,0,0|3,0,0]=4 52 B18R2.201 CCC(OC1COC(=O)O1)c2ccc(cc2)F 34a_100000246474_100000032252 [0,1,0,0,0,0|3,0,0]=4 53 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)Br 269982a_100000219632_100000073702 [0,1,0,0,0,0|3,0,0]=4 54 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)Br 34a_100000219632_100000073702 [0,1,0,0,0,0|3,0,0]=4 55 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)C 269982a_100000219985_100000073702 [0,1,0,0,0,0|3,0,0]=4 56 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)C 34a_100000219985_100000073702 [0,1,0,0,0,0|3,0,0]=4 57 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)Cl 269982a_100000220165_100000073702 [0,1,0,0,0,0|3,0,0]=4 58 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)Cl 34a_100000220165_100000073702 [0,1,0,0,0,0|3,0,0]=4 59 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)F 269982a_100102640331_100000073702 [0,1,0,0,0,0|3,0,0]=4 60 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)F 34a_100102640331_100000073702 [0,1,0,0,0,0|3,0,0]=4 61 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)O 269982a_100011337800_100000073702 [0,1,0,0,0,0|3,0,0]=4 62 B18R2.201 CCN(CC1COC(=O)O1)c2ccc(cc2)O 34a_100011337800_100000073702 [0,1,0,0,0,0|3,0,0]=4 63 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)Br 2230a_100000219632_100015307671 [0,1,0,0,0,0|2,0,1]=4 64 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)Br 269982a_100000219632_100015307671 [0,1,0,0,0,0|2,0,1]=4 65 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)Br 34a_100000219632_100015307671 [0,1,0,0,0,0|2,0,1]=4 66 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)C 2230a_100000219985_100015307671 [0,1,0,0,0,0|2,0,1]=4 67 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)C 269982a_100000219985_100015307671 [0,1,0,0,0,0|2,0,1]=4 68 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)C 34a_100000219985_100015307671 [0,1,0,0,0,0|2,0,1]=4 69 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)Cl 2230a_100000220165_100015307671 [0,1,0,0,0,0|2,0,1]=4 70 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)Cl 269982a_100000220165_100015307671 [0,1,0,0,0,0|2,0,1]=4 71 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100000220165_100015307671 [0,1,0,0,0,0|2,0,1]=4 72 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)F 2230a_100102640331_100015307671 [0,1,0,0,0,0|2,0,1]=4 73 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)F 269982a_100102640331_100015307671 [0,1,0,0,0,0|2,0,1]=4 74 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100102640331_100015307671 [0,1,0,0,0,0|2,0,1]=4 75 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)O 2230a_100011337800_100015307671 [0,1,0,0,0,0|2,0,1]=4 76 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)O 269982a_100011337800_100015307671 [0,1,0,0,0,0|2,0,1]=4 77 B18R2.201 CCN(C[C@H]1COC(=O)N1)c2ccc(cc2)O 34a_100011337800_100015307671 [0,1,0,0,0,0|2,0,1]=4 78 B18R2.201 CC[C@H](NC1COC(=O)O1)c2ccc(cc2)Br 34a_100025736560_100000032252 [0,1,0,0,0,0|3,0,0]=4 79 B18R2.201 CC[C@H](NC1COC(=O)O1)c2ccc(cc2)Cl 34a_100015186824_100000032252 [0,1,0,0,0,0|3,0,0]=4 80 B18R2.2097 CCCC(NC1COC(=O)O1)c2ccccc2 34a_100000189686_100000032252 [0,1,0,0,0,0|3,0,0]=4 81 B18R2.2097 CCCC(OC1COC(=O)O1)c2ccccc2 34a_100000747916_100000032252 [0,1,0,0,0,0|3,0,0]=4 82 B18R2.2097 CCCN(CC1COC(=O)O1)c2ccccc2 269982a_200011218496_100000073702 [0,1,0,0,0,0|3,0,0]=4 83 B18R2.2097 CCCN(CC1COC(=O)O1)c2ccccc2 34a_200011218496_100000073702 [0,1,0,0,0,0|3,0,0]=4 84 B18R2.2097 CCCN(C[C@H]1COC(=O)N1)c2ccccc2 2230a_200011218496_100015307671 [0,1,0,0,0,0|2,0,1]=4 85 B18R2.2097 CCCN(C[C@H]1COC(=O)N1)c2ccccc2 269982a_200011218496_100015307671 [0,1,0,0,0,0|2,0,1]=4 86 B18R2.2097 CCCN(C[C@H]1COC(=O)N1)c2ccccc2 34a_200011218496_100015307671 [0,1,0,0,0,0|2,0,1]=4 87 B18R2.2097 COC[C@@H](NC1COC(=O)O1)c2ccccc2 34a_103619048568_100000032252 [0,1,0,0,0,0|3,0,0]=4 88 B18R2.2097 NCCC(OC1COC(=O)O1)c2ccccc2 34a_100000763605_100000032252 [0,1,0,0,0,0|3,0,0]=4 89 B18R2.2097 O=C1N[C@H](CO1)CN(CCO)c2ccccc2 2230a_100000211345_100015307671 [0,1,0,0,0,0|2,0,1]=4 90 B18R2.2097 O=C1N[C@H](CO1)CN(CCO)c2ccccc2 269982a_100000211345_100015307671 [0,1,0,0,0,0|2,0,1]=4 91 B18R2.2097 O=C1N[C@H](CO1)CN(CCO)c2ccccc2 34a_100000211345_100015307671 [0,1,0,0,0,0|2,0,1]=4 92 B18R2.2097 O=C1OCC(O1)CN(CCO)c2ccccc2 269982a_100000211345_100000073702 [0,1,0,0,0,0|3,0,0]=4 93 B18R2.2097 O=C1OCC(O1)CN(CCO)c2ccccc2 34a_100000211345_100000073702 [0,1,0,0,0,0|3,0,0]=4 94 B18R2.2097 O=C1OCC(O1)O[C@H](CCCl)c2ccccc2 34a_100000729684_100000032252 [0,1,0,0,0,0|3,0,0]=4 95 B18R2.2097 O=C1OCC(O1)SC(CCCl)c2ccccc2 62a_200010132975_100000032252 [0,1,0,0,0,0|3,0,0]=4 96 B18R2.2316 CCN(C(=O)C1CSC(=N1)N)c2ccccc2 22a_100000210013_100000002200 [0,1,0,0,0,0|1,1,1]=4 97 B18R2.7798 CCC(NC1COC(=O)O1)c2cccc(c2)Cl 34a_100000737531_100000032252 [0,1,0,0,0,0|3,0,0]=4 98 B18R2.7798 CCC(NC1COC(=O)O1)c2cccc(c2)F 34a_100159265421_100000032252 [0,1,0,0,0,0|3,0,0]=4 99 B18R2.7798 CCC(NC1COC(=O)O1)c2cccc(c2)O 34a_100159312145_100000032252 [0,1,0,0,0,0|3,0,0]=4 100 B18R2.7798 CCC(OC1COC(=O)O1)c2cccc(c2)Cl 34a_100000766619_100000032252 [0,1,0,0,0,0|3,0,0]=4 101 B18R2.7798 CCC(OC1COC(=O)O1)c2cccc(c2)F 34a_100011350881_100000032252 [0,1,0,0,0,0|3,0,0]=4 102 B18R2.7798 CCC(OC1COC(=O)O1)c2cccc(c2)I 34a_200013212081_100000032252 [0,1,0,0,0,0|3,0,0]=4 103 B18R2.7798 CCN(CC1COC(=O)O1)c2cccc(c2)Br 269982a_100000738899_100000073702 [0,1,0,0,0,0|3,0,0]=4 104 B18R2.7798 CCN(CC1COC(=O)O1)c2cccc(c2)Br 34a_100000738899_100000073702 [0,1,0,0,0,0|3,0,0]=4 105 B18R2.7798 CCN(CC1COC(=O)O1)c2cccc(c2)C 269982a_100000182157_100000073702 [0,1,0,0,0,0|3,0,0]=4 106 B18R2.7798 CCN(CC1COC(=O)O1)c2cccc(c2)C 34a_100000182157_100000073702 [0,1,0,0,0,0|3,0,0]=4 107 B18R2.7798 CCN(CC1COC(=O)O1)c2cccc(c2)O 269982a_100000717746_100000073702 [0,1,0,0,0,0|3,0,0]=4 108 B18R2.7798 CCN(CC1COC(=O)O1)c2cccc(c2)O 34a_100000717746_100000073702 [0,1,0,0,0,0|3,0,0]=4 109 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)Br 2230a_100000738899_100015307671 [0,1,0,0,0,0|2,0,1]=4 110 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)Br 269982a_100000738899_100015307671 [0,1,0,0,0,0|2,0,1]=4 111 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)Br 34a_100000738899_100015307671 [0,1,0,0,0,0|2,0,1]=4 112 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)C 2230a_100000182157_100015307671 [0,1,0,0,0,0|2,0,1]=4 113 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)C 269982a_100000182157_100015307671 [0,1,0,0,0,0|2,0,1]=4 114 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)C 34a_100000182157_100015307671 [0,1,0,0,0,0|2,0,1]=4 115 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)C 7a_100000182157_100015307671 [0,1,0,0,0,0|2,0,1]=4 116 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)O 2230a_100000717746_100015307671 [0,1,0,0,0,0|2,0,1]=4 117 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)O 269982a_100000717746_100015307671 [0,1,0,0,0,0|2,0,1]=4 118 B18R2.7798 CCN(C[C@H]1COC(=O)N1)c2cccc(c2)O 34a_100000717746_100015307671 [0,1,0,0,0,0|2,0,1]=4 119 B18R2.7798 CC[C@@H](NC1COC(=O)O1)c2cccc(c2)C 34a_200016991486_100000032252 [0,1,0,0,0,0|3,0,0]=4 120 B18R2.7798 CC[C@H](NC1COC(=O)O1)c2cccc(c2)Br 34a_100102422761_100000032252 [0,1,0,0,0,0|3,0,0]=4 121 B18R2.29833 CC(C)C(OC1COC(=O)O1)c2ccccc2 34a_200011217822_100000032252 [0,1,0,0,0,0|3,0,0]=4 122 B18R2.29833 CC(C)N(CC1COC(=O)O1)c2ccccc2 269982a_100000210572_100000073702 [0,1,0,0,0,0|3,0,0]=4 123 B18R2.29833 CC(C)N(CC1COC(=O)O1)c2ccccc2 34a_100000210572_100000073702 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.29833 CC(C)N(C[C@H]1COC(=O)N1)c2ccccc2 2230a_100000210572_100015307671 [0,1,0,0,0,0|2,0,1]=4 125 B18R2.29833 CC(C)N(C[C@H]1COC(=O)N1)c2ccccc2 269982a_100000210572_100015307671 [0,1,0,0,0,0|2,0,1]=4 126 B18R2.29833 CC(C)N(C[C@H]1COC(=O)N1)c2ccccc2 34a_100000210572_100015307671 [0,1,0,0,0,0|2,0,1]=4 127 B18R2.29833 CC(C)N(C[C@H]1COC(=O)N1)c2ccccc2 7a_100000210572_100015307671 [0,1,0,0,0,0|2,0,1]=4 128 B18R2.29833 CC(C)[C@H](NC1COC(=O)O1)c2ccccc2 34a_100015186014_100000032252 [0,1,0,0,0,0|3,0,0]=4 129 B18R2.78425 CCC(OC1COC(=O)O1)c2ccccc2F 34a_200011689290_100000032252 [0,1,0,0,0,0|3,0,0]=4 130 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2Br 269982a_114873767003_100000073702 [0,1,0,0,0,0|3,0,0]=4 131 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2Br 34a_114873767003_100000073702 [0,1,0,0,0,0|3,0,0]=4 132 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2C 269982a_100000211084_100000073702 [0,1,0,0,0,0|3,0,0]=4 133 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2C 34a_100000211084_100000073702 [0,1,0,0,0,0|3,0,0]=4 134 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2F 269982a_100000220365_100000073702 [0,1,0,0,0,0|3,0,0]=4 135 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2F 34a_100000220365_100000073702 [0,1,0,0,0,0|3,0,0]=4 136 B18R2.78425 CCN(CC1COC(=O)O1)c2ccccc2O 269982a_103624766699_100000073702 [0,1,0,0,0,0|3,0,0]=4 137 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2Br 2230a_114873767003_100015307671 [0,1,0,0,0,0|2,0,1]=4 138 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2Br 269982a_114873767003_100015307671 [0,1,0,0,0,0|2,0,1]=4 139 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2Br 34a_114873767003_100015307671 [0,1,0,0,0,0|2,0,1]=4 140 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2C 2230a_100000211084_100015307671 [0,1,0,0,0,0|2,0,1]=4 141 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2C 269982a_100000211084_100015307671 [0,1,0,0,0,0|2,0,1]=4 142 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2C 34a_100000211084_100015307671 [0,1,0,0,0,0|2,0,1]=4 143 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2F 2230a_100000220365_100015307671 [0,1,0,0,0,0|2,0,1]=4 144 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2F 269982a_100000220365_100015307671 [0,1,0,0,0,0|2,0,1]=4 145 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2F 34a_100000220365_100015307671 [0,1,0,0,0,0|2,0,1]=4 146 B18R2.78425 CCN(C[C@H]1COC(=O)N1)c2ccccc2O 269982a_103624766699_100015307671 [0,1,0,0,0,0|2,0,1]=4 147 B18R2.78425 CC[C@H](NC1COC(=O)O1)c2ccccc2Cl 34a_200016987949_100000032252 [0,1,0,0,0,0|3,0,0]=4 148 B18R2.78425 CC[C@H](NC1COC(=O)O1)c2ccccc2F 34a_100015190424_100000032252 [0,1,0,0,0,0|3,0,0]=4 149 B16R1.626 CCC(CN(C)CC(=O)N)c1ccccc1 270004a_100000739694_100000753018 [0,0,1,0,0,0|2,0,1]=4 150 B16R1.1106 CCC(COCC(=O)OC)c1ccccc1 34a_100000752371_100000747449 [0,0,1,0,0,0|3,0,0]=4 151 B16R1.1106 CCC(COCC(=O)OC)c1ccccc1 7a_100000752371_100000747449 [0,0,1,0,0,0|3,0,0]=4 152 B16R1.1106 CCC(NCCC(=O)OC)c1ccccc1 2230a_100000737752_100000204255 [0,0,1,0,0,0|3,0,0]=4 153 B16R1.1106 CCC(OCCC(=O)OC)c1ccccc1 34a_100000698172_100000742370 [0,0,1,0,0,0|3,0,0]=4 154 B16R1.1106 CCC(OCCC(=O)OC)c1ccccc1 7a_100000698172_100000204255 [0,0,1,0,0,0|3,0,0]=4 155 B16R1.1106 CCN(CCCC(=O)OC)c1ccccc1 2230a_100000210013_100011218270 [0,0,1,0,0,0|3,0,0]=4 156 B16R1.1106 CCN(CCCC(=O)OC)c1ccccc1 269982a_100000210013_100011218270 [0,0,1,0,0,0|3,0,0]=4 157 B16R1.1106 CCN(CCCC(=O)OC)c1ccccc1 34a_100000210013_100000742333 [0,0,1,0,0,0|3,0,0]=4 158 B16R1.2929 CCC(COCCC(=O)N)c1ccccc1 34a_100000752371_100000731001 [0,0,1,0,0,0|3,0,0]=4 159 B16R1.2929 CCC(COCCC(=O)N)c1ccccc1 7a_100000752371_100000744528 [0,0,1,0,0,0|3,0,0]=4 160 B16R1.2929 CCC(COCOC(=O)C)c1ccccc1 34a_100000752371_100009813279 [0,0,1,0,0,0|3,0,0]=4 161 B16R1.2929 CCC(NCCCC(=O)N)c1ccccc1 269862a_100000739312_100000210124 [0,0,1,0,0,0|3,0,0]=4 162 B16R1.2929 CCC(NCCNC(=O)N)c1ccccc1 2230a_100000737752_200000034859 [0,0,1,0,0,0|3,0,0]=4 163 B16R1.2929 CCC(NCCNC(=O)N)c1ccccc1 269862a_100020590234_100000210124 [0,0,1,0,0,0|3,0,0]=4 164 B16R1.2929 CCC(OCCCC(=O)N)c1ccccc1 34a_100000698172_100102525003 [0,0,1,0,0,0|3,0,0]=4 165 B16R1.2929 CCC(OCCCC(=O)N)c1ccccc1 7a_100000698172_100102525003 [0,0,1,0,0,0|3,0,0]=4 166 B16R1.2929 CCC(OCCNC(=O)N)c1ccccc1 7a_100000698172_200000034859 [0,0,1,0,0,0|3,0,0]=4 167 B16R1.2929 CCC(OCCOC(=O)C)c1ccccc1 34a_100000698172_100009814007 [0,0,1,0,0,0|3,0,0]=4 168 B16R1.2929 CCC(OCCOC(=O)C)c1ccccc1 7a_100000698172_100009814007 [0,0,1,0,0,0|3,0,0]=4 169 B16R1.2929 CCC(OCCOC(=O)N)c1ccccc1 34a_100000698172_200011214921 [0,0,1,0,0,0|2,0,0]=3 170 B16R1.2929 CCC(OCCOC(=O)N)c1ccccc1 7a_100000698172_200011214921 [0,0,1,0,0,0|2,0,0]=3 171 B16R1.2929 CCN(CCCOC(=O)C)c1ccccc1 269982a_100000210013_100000042594 [0,0,1,0,0,0|3,0,0]=4 172 B16R1.2929 CCN(CCCOC(=O)C)c1ccccc1 34a_100000210013_100000042594 [0,0,1,0,0,0|3,0,0]=4 173 B16R1.2929 CCN(CCCOC(=S)C)c1ccccc1 2230a_100000210013_200135323944 [0,0,1,0,0,0|3,0,0]=4 174 B16R1.2929 CCN(CCCOC(=S)C)c1ccccc1 269982a_100000210013_200135323944 [0,0,1,0,0,0|3,0,0]=4 175 B16R1.2929 CCN(CCCOC(=S)C)c1ccccc1 34a_100000210013_200135323944 [0,0,1,0,0,0|3,0,0]=4 176 B16R1.2929 NC(=O)OCCN[C@H](CO)c1ccccc1 34a_100000751927_200011214921 [0,0,1,0,0,0|3,0,0]=4 177 B16R1.2929 NC(=O)OCCOC(CBr)c1ccccc1 7a_100000185958_200011214921 [0,0,1,0,0,0|3,0,0]=4 178 B16R1.2929 NC(=O)OCCO[C@H](CCl)c1ccccc1 34a_100011933945_200011214921 [0,0,1,0,0,0|3,0,0]=4 179 B16R1.2929 NC(=O)OCCO[C@H](CCl)c1ccccc1 7a_100011933945_200011214921 [0,0,1,0,0,0|3,0,0]=4 180 B16R1.2929 NCC(OCCOC(=O)N)c1ccccc1 34a_100000210709_200011214921 [0,0,1,0,0,0|3,0,0]=4 181 B16R1.5351 C=CC[C@H](CO)NC(CC)c1ccccc1 269862a_100020615467_100000210124 [0,0,1,0,0,0|3,0,0]=4 182 B18R3.2886 O=C1OCC(O1)N[C@H]2CCc3c2cccc3 34a_100016989578_100000032252 [0,0,0,1,0,0|3,0,0]=4 183 B18R3.2886 O=C1OCC(O1)OC2CCc3c2cccc3 34a_100000212247_100000032252 [0,0,0,1,0,0|3,0,0]=4 184 B16R2.188 CCC(c1ccccc1)c2noc(n2)C 270196a_100011218380_100000070787 [0,0,0,0,1,0|2,0,1]=4 185 B16R2.188 CCC(c1ccccc1)c2noc(n2)O 270196a_100011218380_100015183105 [0,0,0,0,1,0|2,0,1]=4 186 B16R2.188 CCN(c1ccccc1)C2COC(=O)O2 34a_100000210013_100000032252 [0,0,0,0,1,0|3,0,0]=4 187 B16R2.5376 C=C1CC(C1)NC(CC)c2ccccc2 269862a_100132301982_100000210124 [0,0,0,0,1,0|3,0,0]=4 188 B16R2.5376 CCN(CC1CC(=O)C1)c2ccccc2 2230a_100000210013_100009874392 [0,0,0,0,1,0|3,0,0]=4 189 B16R2.5376 CCN(CC1CC(=O)C1)c2ccccc2 269982a_100000210013_100009874392 [0,0,0,0,1,0|3,0,0]=4 190 B16R2.29122 CCC(OC1CCC1=O)c2ccccc2 34a_100000698172_100009892977 [0,0,0,0,1,0|3,0,0]=4 191 B16R2.29122 CCC(OC1CCC1=O)c2ccccc2 7a_100000698172_100009892977 [0,0,0,0,1,0|3,0,0]=4 192 B18R2.7815 CCC(CN1CCOC(=O)C1)c2ccccc2 270004a_100000131268_100000753018 [0,0,0,0,0,1|3,0,0]=4 193 B18R2.7832 CCN(Cc1ccccc1)CC2COC(=O)O2 269982a_100000186914_100000073702 [0,0,0,0,0,1|3,0,0]=4 194 B18R2.7832 CCN(Cc1ccccc1)C[C@H]2COC(=O)N2 2230a_100000186914_100015307671 [0,0,0,0,0,1|2,0,1]=4 195 B18R2.7832 CCN(Cc1ccccc1)C[C@H]2COC(=O)N2 269982a_100000186914_100015307671 [0,0,0,0,0,1|2,0,1]=4 196 B18R2.28251 CCC(COC1COC(=O)O1)c2ccccc2 34a_100000752371_100000032252 [0,0,0,0,0,1|2,0,0]=3 197 B18R2.28251 CCC(NCC1CNC(=O)C1)c2ccccc2 269862a_100016993742_100000210124 [0,0,0,0,0,1|3,0,0]=4 198 B18R2.28251 CCC(NCC1CNC(=O)O1)c2ccccc2 2230a_100000737752_100000181169 [0,0,0,0,0,1|3,0,0]=4 199 B18R2.28251 CCC(NC[C@@H]1CCC(=O)N1)c2ccccc2 2230a_100000737752_100015189358 [0,0,0,0,0,1|2,0,1]=4 200 B18R2.28251 CCC(NC[C@H]1CCC(=O)N1)c2ccccc2 269862a_100015423886_100000210124 [0,0,0,0,0,1|2,0,1]=4 201 B18R2.28251 CCC(NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000737752_100015307671 [0,0,0,0,0,1|1,0,1]=3 202 B18R2.28251 CCC(NC[C@H]1COC(=O)N1)c2ccccn2 2230a_100015186561_100015307671 [0,0,0,0,0,1|2,0,1]=4 203 B18R2.28251 CCC(NC[C@H]1COC(=O)N1)c2cccnc2 2230a_100000246009_100015307671 [0,0,0,0,0,1|2,0,1]=4 204 B18R2.28251 CCC(NCc1coc(n1)C)c2ccccc2 207a_100000737752_100011361629 [0,0,0,0,0,1|1,0,2]=4 205 B18R2.28251 CCC(NCc1coc(n1)C)c2ccccc2 270004a_100000737752_100011361629 [0,0,0,0,0,1|1,0,2]=4 206 B18R2.28251 CCC(NCc1noc(n1)C)c2ccccc2 2230a_100000737752_100000231061 [0,0,0,0,0,1|2,0,1]=4 207 B18R2.28251 CCC(OCC1=CC(=O)OC1)c2ccccc2 34a_100000698172_100000716558 [0,0,0,0,0,1|2,0,1]=4 208 B18R2.28251 CCC(OCC1CNC(=O)O1)c2ccccc2 34a_100000698172_100000181169 [0,0,0,0,0,1|3,0,0]=4 209 B18R2.28251 CCC(OCC1CNC(=O)O1)c2ccccc2 7a_100000698172_100000181169 [0,0,0,0,0,1|3,0,0]=4 210 B18R2.28251 CCC(OCC1COC(=O)O1)c2ccccc2 34a_100000698172_100000073702 [0,0,0,0,0,1|2,0,0]=3 211 B18R2.28251 CCC(OC[C@@H]1CCC(=O)N1)c2ccccc2 7a_100000698172_100015189358 [0,0,0,0,0,1|2,0,1]=4 212 B18R2.28251 CCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000698172_100015307671 [0,0,0,0,0,1|1,0,1]=3 213 B18R2.28251 CCC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000698172_100015307671 [0,0,0,0,0,1|1,0,1]=3 214 B18R2.28251 CCC(OCc1noc(n1)C)c2ccccc2 34a_100000698172_100000231061 [0,0,0,0,0,1|2,0,1]=4 215 B18R2.28251 CCC(OCc1noc(n1)C)c2ccccc2 7a_100000698172_100000231061 [0,0,0,0,0,1|2,0,1]=4 216 B18R2.28251 COC(COC1COC(=O)O1)c2ccccc2 34a_100011215540_100000032252 [0,0,0,0,0,1|3,0,0]=4 217 B18R2.28251 NCC(OCC1COC(=O)O1)c2ccccc2 34a_100000210709_100000073702 [0,0,0,0,0,1|3,0,0]=4 218 B18R2.28251 NCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000210709_100015307671 [0,0,0,0,0,1|2,0,1]=4 219 B18R2.28251 O=C1N[C@H](CO1)CN[C@H](CO)c2ccccc2 2230a_100000751927_100015307671 [0,0,0,0,0,1|2,0,1]=4 220 B18R2.28251 O=C1N[C@H](CO1)CN[C@H](CO)c2ccccc2 34a_100000751927_100015307671 [0,0,0,0,0,1|2,0,1]=4 221 B18R2.28251 O=C1N[C@H](CO1)COC(CBr)c2ccccc2 7a_100000185958_100015307671 [0,0,0,0,0,1|2,0,1]=4 222 B18R2.28251 O=C1N[C@H](CO1)CO[C@H](CCl)c2ccccc2 34a_100011933945_100015307671 [0,0,0,0,0,1|2,0,1]=4 223 B18R2.28251 O=C1N[C@H](CO1)CO[C@H](CCl)c2ccccc2 7a_100011933945_100015307671 [0,0,0,0,0,1|2,0,1]=4 224 B18R2.28251 O=C1OCC(O1)CN[C@H](CO)c2ccccc2 34a_100000751927_100000073702 [0,0,0,0,0,1|3,0,0]=4 225 B18R2.28251 O=C1OCC(O1)CO[C@H](CCl)c2ccccc2 34a_100011933945_100000073702 [0,0,0,0,0,1|3,0,0]=4 226 B15R1.33 C=COCCNC(CC)c1ccccc1 2230a_100000737752_100000039644 [1,0,1,0,0,0|2,0,0]=4 227 B15R1.33 C=COCCOC(CC)c1ccccc1 34a_100000698172_100000039644 [1,0,1,0,0,0|2,0,0]=4 228 B15R1.33 C=COCCOC(CC)c1ccccc1 7a_100000698172_100000039644 [1,0,1,0,0,0|2,0,0]=4 229 B15R1.497 CC(OCCOC(=O)N)c1ccccc1 7a_100000766696_100000230085 [1,0,1,0,0,0|2,0,0]=4 230 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_100000230085_200011214921 [1,0,1,0,0,0|2,0,0]=4 231 B15R1.497 CC(SCCOC(=O)N)c1ccccc1 62a_200011214921_100000230085 [1,0,1,0,0,0|2,0,0]=4 232 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 34a_100000761318_200011214921 [1,0,1,0,0,0|2,0,0]=4 233 B15R1.497 C[C@@H](OCCOC(=O)N)c1ccccc1 7a_100000761318_200011214921 [1,0,1,0,0,0|2,0,0]=4 234 B15R1.5713 C=C[C@@H](CO)NC(CC)c1ccccc1 269862a_100016989147_100000210124 [1,0,1,0,0,0|2,0,0]=4 235 B17R1.1153 CCC(OCCOC(=O)NC)c1ccccc1 34a_100000698172_200011997002 [0,1,1,0,0,0|2,0,0]=4 236 B17R1.1153 CCC(OCCOC(=O)NC)c1ccccc1 7a_100000698172_200011997002 [0,1,1,0,0,0|2,0,0]=4 237 B17R1.2433 CCC(NCCOC(=O)N)c1ccc(cc1)C 34a_100000749201_200011214921 [0,1,1,0,0,0|2,0,0]=4 238 B17R1.2433 CCC(NCCOC(=O)N)c1ccc(cc1)F 34a_100011191751_200011214921 [0,1,1,0,0,0|2,0,0]=4 239 B17R1.2433 CCC(NCCOC(=O)N)c1ccc(cc1)O 34a_100015187210_200011214921 [0,1,1,0,0,0|2,0,0]=4 240 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)Br 34a_100000246506_200011214921 [0,1,1,0,0,0|2,0,0]=4 241 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)Br 7a_100000246506_200011214921 [0,1,1,0,0,0|2,0,0]=4 242 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)C 34a_100000246521_200011214921 [0,1,1,0,0,0|2,0,0]=4 243 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)C 7a_100000246521_200011214921 [0,1,1,0,0,0|2,0,0]=4 244 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)Cl 34a_100000246471_200011214921 [0,1,1,0,0,0|2,0,0]=4 245 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)Cl 7a_100000246471_200011214921 [0,1,1,0,0,0|2,0,0]=4 246 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)F 34a_100000246474_200011214921 [0,1,1,0,0,0|2,0,0]=4 247 B17R1.2433 CCC(OCCOC(=O)N)c1ccc(cc1)F 7a_100000246474_200011214921 [0,1,1,0,0,0|2,0,0]=4 248 B17R1.2433 CC[C@H](NCCOC(=O)N)c1ccc(cc1)Br 34a_100025736560_200011214921 [0,1,1,0,0,0|2,0,0]=4 249 B17R1.2433 CC[C@H](NCCOC(=O)N)c1ccc(cc1)Cl 34a_100015186824_200011214921 [0,1,1,0,0,0|2,0,0]=4 250 B17R1.2434 CCC(NCCOC(=O)N)c1cccc(c1)Cl 34a_100000737531_200011214921 [0,1,1,0,0,0|2,0,0]=4 251 B17R1.2434 CCC(NCCOC(=O)N)c1cccc(c1)F 34a_100159265421_200011214921 [0,1,1,0,0,0|2,0,0]=4 252 B17R1.2434 CCC(NCCOC(=O)N)c1cccc(c1)O 34a_100159312145_200011214921 [0,1,1,0,0,0|2,0,0]=4 253 B17R1.2434 CCC(OCCOC(=O)N)c1cccc(c1)Cl 34a_100000766619_200011214921 [0,1,1,0,0,0|2,0,0]=4 254 B17R1.2434 CCC(OCCOC(=O)N)c1cccc(c1)Cl 7a_100000766619_200011214921 [0,1,1,0,0,0|2,0,0]=4 255 B17R1.2434 CCC(OCCOC(=O)N)c1cccc(c1)F 34a_100011350881_200011214921 [0,1,1,0,0,0|2,0,0]=4 256 B17R1.2434 CCC(OCCOC(=O)N)c1cccc(c1)F 7a_100011350881_200011214921 [0,1,1,0,0,0|2,0,0]=4 257 B17R1.2434 CCC(OCCOC(=O)N)c1cccc(c1)I 34a_200013212081_200011214921 [0,1,1,0,0,0|2,0,0]=4 258 B17R1.2434 CCC(OCCOC(=O)N)c1cccc(c1)I 7a_200013212081_200011214921 [0,1,1,0,0,0|2,0,0]=4 259 B17R1.2434 CC[C@@H](NCCOC(=O)N)c1cccc(c1)C 34a_200016991486_200011214921 [0,1,1,0,0,0|2,0,0]=4 260 B17R1.2434 CC[C@H](NCCOC(=O)N)c1cccc(c1)Br 34a_100102422761_200011214921 [0,1,1,0,0,0|2,0,0]=4 261 B17R1.3106 CCC(C(=O)CCOC(=O)N)c1ccccc1 1458a_100000211302_200011214921 [0,1,1,0,0,0|1,0,1]=4 262 B17R1.3106 CCC(c1ccccc1)N(C)CCOC(=O)N 269982a_100000737544_200011214921 [0,1,1,0,0,0|2,0,0]=4 263 B17R1.16296 CC(C)C(OCCOC(=O)N)c1ccccc1 34a_200011217822_200011214921 [0,1,1,0,0,0|2,0,0]=4 264 B17R1.16296 CC(C)C(OCCOC(=O)N)c1ccccc1 7a_200011217822_200011214921 [0,1,1,0,0,0|2,0,0]=4 265 B17R1.16296 CC(C)[C@H](NCCOC(=O)N)c1ccccc1 34a_100015186014_200011214921 [0,1,1,0,0,0|2,0,0]=4 266 B17R1.18537 CCCC(NCCOC(=O)N)c1ccccc1 34a_100000189686_200011214921 [0,1,1,0,0,0|2,0,0]=4 267 B17R1.18537 CCCC(OCCOC(=O)N)c1ccccc1 34a_100000747916_200011214921 [0,1,1,0,0,0|2,0,0]=4 268 B17R1.18537 CCCC(OCCOC(=O)N)c1ccccc1 7a_100000747916_200011214921 [0,1,1,0,0,0|2,0,0]=4 269 B17R1.18537 COC[C@@H](NCCOC(=O)N)c1ccccc1 34a_103619048568_200011214921 [0,1,1,0,0,0|2,0,0]=4 270 B17R1.18537 NC(=O)OCCOC(CCCl)c1ccccc1 7a_100000766696_200010132975 [0,1,1,0,0,0|2,0,0]=4 271 B17R1.18537 NC(=O)OCCO[C@H](CCCl)c1ccccc1 34a_100000729684_200011214921 [0,1,1,0,0,0|2,0,0]=4 272 B17R1.18537 NC(=O)OCCO[C@H](CCCl)c1ccccc1 7a_100000729684_200011214921 [0,1,1,0,0,0|2,0,0]=4 273 B17R1.18537 NC(=O)OCCSC(CCCl)c1ccccc1 62a_200010132975_200011214921 [0,1,1,0,0,0|2,0,0]=4 274 B17R1.18537 NC(=O)OCCSC(CCCl)c1ccccc1 62a_200011214921_200010132975 [0,1,1,0,0,0|2,0,0]=4 275 B17R1.18537 NCCC(OCCOC(=O)N)c1ccccc1 34a_100000763605_200011214921 [0,1,1,0,0,0|2,0,0]=4 276 B17R1.47573 CCC(C)(OCCOC(=O)N)c1ccccc1 7a_100000748282_200011214921 [0,1,1,0,0,0|2,0,0]=4 277 B17R1.182322 CCC(OCCOC(=O)N)c1ccccc1F 34a_200011689290_200011214921 [0,1,1,0,0,0|2,0,0]=4 278 B17R1.182322 CCC(OCCOC(=O)N)c1ccccc1F 7a_200011689290_200011214921 [0,1,1,0,0,0|2,0,0]=4 279 B17R1.182322 CC[C@H](NCCOC(=O)N)c1ccccc1Cl 34a_200016987949_200011214921 [0,1,1,0,0,0|2,0,0]=4 280 B17R1.182322 CC[C@H](NCCOC(=O)N)c1ccccc1F 34a_100015190424_200011214921 [0,1,1,0,0,0|2,0,0]=4 281 B17R2.8654 CC(C(=O)C1CSC(=N1)N)c2ccccc2 1458a_100000002200_100000230085 [1,1,0,0,0,0|0,1,1]=4 282 B19R2.2270 CCC(C(=O)CC1COC(=O)O1)c2ccccc2 1458a_100000211302_100000073702 [0,1,0,0,0,1|2,0,0]=4 283 B19R2.2270 CCC(C(=O)C[C@H]1COC(=O)N1)c2ccccc2 1458a_100000211302_100015307671 [0,1,0,0,0,1|1,0,1]=4 284 B19R2.2270 CCC(c1ccccc1)N(C)CC2COC(=O)O2 269982a_100000737544_100000073702 [0,1,0,0,0,1|2,0,0]=4 285 B19R2.2270 CCC(c1ccccc1)N(C)C[C@H]2COC(=O)N2 2230a_100000737544_100015307671 [0,1,0,0,0,1|1,0,1]=4 286 B19R2.2270 CCC(c1ccccc1)N(C)C[C@H]2COC(=O)N2 269982a_100000737544_100015307671 [0,1,0,0,0,1|1,0,1]=4 287 B19R2.3969 CCC(NCC1COC(=O)O1)c2ccc(cc2)C 34a_100000749201_100000073702 [0,1,0,0,0,1|2,0,0]=4 288 B19R2.3969 CCC(NCC1COC(=O)O1)c2ccc(cc2)F 34a_100011191751_100000073702 [0,1,0,0,0,1|2,0,0]=4 289 B19R2.3969 CCC(NCC1COC(=O)O1)c2ccc(cc2)O 34a_100015187210_100000073702 [0,1,0,0,0,1|2,0,0]=4 290 B19R2.3969 CCC(NC[C@H]1COC(=O)N1)c2ccc(cc2)C 2230a_100000749201_100015307671 [0,1,0,0,0,1|1,0,1]=4 291 B19R2.3969 CCC(NC[C@H]1COC(=O)N1)c2ccc(cc2)C 34a_100000749201_100015307671 [0,1,0,0,0,1|1,0,1]=4 292 B19R2.3969 CCC(NC[C@H]1COC(=O)N1)c2ccc(cc2)F 2230a_100011191751_100015307671 [0,1,0,0,0,1|1,0,1]=4 293 B19R2.3969 CCC(NC[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100011191751_100015307671 [0,1,0,0,0,1|1,0,1]=4 294 B19R2.3969 CCC(NC[C@H]1COC(=O)N1)c2ccc(cc2)O 34a_100015187210_100015307671 [0,1,0,0,0,1|1,0,1]=4 295 B19R2.3969 CCC(OCC1COC(=O)O1)c2ccc(cc2)Br 34a_100000246506_100000073702 [0,1,0,0,0,1|2,0,0]=4 296 B19R2.3969 CCC(OCC1COC(=O)O1)c2ccc(cc2)C 34a_100000246521_100000073702 [0,1,0,0,0,1|2,0,0]=4 297 B19R2.3969 CCC(OCC1COC(=O)O1)c2ccc(cc2)Cl 34a_100000246471_100000073702 [0,1,0,0,0,1|2,0,0]=4 298 B19R2.3969 CCC(OCC1COC(=O)O1)c2ccc(cc2)F 34a_100000246474_100000073702 [0,1,0,0,0,1|2,0,0]=4 299 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Br 34a_100000246506_100015307671 [0,1,0,0,0,1|1,0,1]=4 300 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Br 7a_100000246506_100015307671 [0,1,0,0,0,1|1,0,1]=4 301 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)C 34a_100000246521_100015307671 [0,1,0,0,0,1|1,0,1]=4 302 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)C 7a_100000246521_100015307671 [0,1,0,0,0,1|1,0,1]=4 303 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100000246471_100015307671 [0,1,0,0,0,1|1,0,1]=4 304 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 7a_100000246471_100015307671 [0,1,0,0,0,1|1,0,1]=4 305 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 34a_100000246474_100015307671 [0,1,0,0,0,1|1,0,1]=4 306 B19R2.3969 CCC(OC[C@H]1COC(=O)N1)c2ccc(cc2)F 7a_100000246474_100015307671 [0,1,0,0,0,1|1,0,1]=4 307 B19R2.3969 CC[C@H](NCC1COC(=O)O1)c2ccc(cc2)Br 34a_100025736560_100000073702 [0,1,0,0,0,1|2,0,0]=4 308 B19R2.3969 CC[C@H](NCC1COC(=O)O1)c2ccc(cc2)Cl 34a_100015186824_100000073702 [0,1,0,0,0,1|2,0,0]=4 309 B19R2.3969 CC[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Br 2230a_100025736560_100015307671 [0,1,0,0,0,1|1,0,1]=4 310 B19R2.3969 CC[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Br 34a_100025736560_100015307671 [0,1,0,0,0,1|1,0,1]=4 311 B19R2.3969 CC[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 2230a_100015186824_100015307671 [0,1,0,0,0,1|1,0,1]=4 312 B19R2.3969 CC[C@H](NC[C@H]1COC(=O)N1)c2ccc(cc2)Cl 34a_100015186824_100015307671 [0,1,0,0,0,1|1,0,1]=4 313 B19R2.8946 CCC(NC(=O)C1CSC(=N1)N)c2ccccc2 240690a_100000737752_100000002200 [0,1,0,0,0,1|0,1,1]=4 314 B19R2.21063 CCCC(NCC1COC(=O)O1)c2ccccc2 34a_100000189686_100000073702 [0,1,0,0,0,1|2,0,0]=4 315 B19R2.21063 CCCC(NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000189686_100015307671 [0,1,0,0,0,1|1,0,1]=4 316 B19R2.21063 CCCC(NC[C@H]1COC(=O)N1)c2ccccc2 34a_100000189686_100015307671 [0,1,0,0,0,1|1,0,1]=4 317 B19R2.21063 CCCC(OCC1COC(=O)O1)c2ccccc2 34a_100000747916_100000073702 [0,1,0,0,0,1|2,0,0]=4 318 B19R2.21063 CCCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000747916_100015307671 [0,1,0,0,0,1|1,0,1]=4 319 B19R2.21063 CCCC(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000747916_100015307671 [0,1,0,0,0,1|1,0,1]=4 320 B19R2.21063 COC[C@@H](NCC1COC(=O)O1)c2ccccc2 34a_103619048568_100000073702 [0,1,0,0,0,1|2,0,0]=4 321 B19R2.21063 COC[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_103619048568_100015307671 [0,1,0,0,0,1|1,0,1]=4 322 B19R2.21063 COC[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 34a_103619048568_100015307671 [0,1,0,0,0,1|1,0,1]=4 323 B19R2.21063 NCCC(OCC1COC(=O)O1)c2ccccc2 34a_100000763605_100000073702 [0,1,0,0,0,1|2,0,0]=4 324 B19R2.21063 NCCC(OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000763605_100015307671 [0,1,0,0,0,1|1,0,1]=4 325 B19R2.21063 O=C1N[C@H](CO1)CN[C@@H](CCO)c2ccccc2 2230a_100025705951_100015307671 [0,1,0,0,0,1|1,0,1]=4 326 B19R2.21063 O=C1N[C@H](CO1)CO[C@H](CCCl)c2ccccc2 34a_100000729684_100015307671 [0,1,0,0,0,1|1,0,1]=4 327 B19R2.21063 O=C1N[C@H](CO1)CO[C@H](CCCl)c2ccccc2 7a_100000729684_100015307671 [0,1,0,0,0,1|1,0,1]=4 328 B19R2.21063 O=C1N[C@H](CO1)CSC(CCCl)c2ccccc2 62a_100015307671_200010132975 [0,1,0,0,0,1|1,0,1]=4 329 B19R2.21063 O=C1N[C@H](CO1)CSC(CCCl)c2ccccc2 62a_200010132975_100015307671 [0,1,0,0,0,1|1,0,1]=4 330 B19R2.21063 O=C1OCC(O1)CO[C@H](CCCl)c2ccccc2 34a_100000729684_100000073702 [0,1,0,0,0,1|2,0,0]=4 331 B19R2.21063 O=C1OCC(O1)CSC(CCCl)c2ccccc2 62a_100000073702_200010132975 [0,1,0,0,0,1|2,0,0]=4 332 B19R2.21063 O=C1OCC(O1)CSC(CCCl)c2ccccc2 62a_200010132975_100000073702 [0,1,0,0,0,1|2,0,0]=4 333 B19R2.124539 CCC(NCC1COC(=O)O1)c2cccc(c2)Cl 34a_100000737531_100000073702 [0,1,0,0,0,1|2,0,0]=4 334 B19R2.124539 CCC(NCC1COC(=O)O1)c2cccc(c2)F 34a_100159265421_100000073702 [0,1,0,0,0,1|2,0,0]=4 335 B19R2.124539 CCC(NCC1COC(=O)O1)c2cccc(c2)O 34a_100159312145_100000073702 [0,1,0,0,0,1|2,0,0]=4 336 B19R2.124539 CCC(NC[C@H]1COC(=O)N1)c2cccc(c2)Cl 2230a_100000737531_100015307671 [0,1,0,0,0,1|1,0,1]=4 337 B19R2.124539 CCC(NC[C@H]1COC(=O)N1)c2cccc(c2)Cl 34a_100000737531_100015307671 [0,1,0,0,0,1|1,0,1]=4 338 B19R2.124539 CCC(NC[C@H]1COC(=O)N1)c2cccc(c2)F 2230a_100159265421_100015307671 [0,1,0,0,0,1|1,0,1]=4 339 B19R2.124539 CCC(NC[C@H]1COC(=O)N1)c2cccc(c2)F 34a_100159265421_100015307671 [0,1,0,0,0,1|1,0,1]=4 340 B19R2.124539 CCC(NC[C@H]1COC(=O)N1)c2cccc(c2)O 2230a_100159312145_100015307671 [0,1,0,0,0,1|1,0,1]=4 341 B19R2.124539 CCC(NC[C@H]1COC(=O)N1)c2cccc(c2)O 34a_100159312145_100015307671 [0,1,0,0,0,1|1,0,1]=4 342 B19R2.124539 CCC(OCC1COC(=O)O1)c2cccc(c2)Cl 34a_100000766619_100000073702 [0,1,0,0,0,1|2,0,0]=4 343 B19R2.124539 CCC(OCC1COC(=O)O1)c2cccc(c2)F 34a_100011350881_100000073702 [0,1,0,0,0,1|2,0,0]=4 344 B19R2.124539 CCC(OCC1COC(=O)O1)c2cccc(c2)I 34a_200013212081_100000073702 [0,1,0,0,0,1|2,0,0]=4 345 B19R2.124539 CCC(OC[C@H]1COC(=O)N1)c2cccc(c2)Cl 34a_100000766619_100015307671 [0,1,0,0,0,1|1,0,1]=4 346 B19R2.124539 CCC(OC[C@H]1COC(=O)N1)c2cccc(c2)Cl 7a_100000766619_100015307671 [0,1,0,0,0,1|1,0,1]=4 347 B19R2.124539 CCC(OC[C@H]1COC(=O)N1)c2cccc(c2)F 34a_100011350881_100015307671 [0,1,0,0,0,1|1,0,1]=4 348 B19R2.124539 CCC(OC[C@H]1COC(=O)N1)c2cccc(c2)F 7a_100011350881_100015307671 [0,1,0,0,0,1|1,0,1]=4 349 B19R2.124539 CCC(OC[C@H]1COC(=O)N1)c2cccc(c2)I 34a_200013212081_100015307671 [0,1,0,0,0,1|1,0,1]=4 350 B19R2.124539 CCC(OC[C@H]1COC(=O)N1)c2cccc(c2)I 7a_200013212081_100015307671 [0,1,0,0,0,1|1,0,1]=4 351 B19R2.124539 CC[C@@H](NCC1COC(=O)O1)c2cccc(c2)C 34a_200016991486_100000073702 [0,1,0,0,0,1|2,0,0]=4 352 B19R2.124539 CC[C@@H](NC[C@H]1COC(=O)N1)c2cccc(c2)C 2230a_200016991486_100015307671 [0,1,0,0,0,1|1,0,1]=4 353 B19R2.124539 CC[C@@H](NC[C@H]1COC(=O)N1)c2cccc(c2)C 34a_200016991486_100015307671 [0,1,0,0,0,1|1,0,1]=4 354 B19R2.124539 CC[C@H](NCC1COC(=O)O1)c2cccc(c2)Br 34a_100102422761_100000073702 [0,1,0,0,0,1|2,0,0]=4 355 B19R2.124539 CC[C@H](NC[C@H]1COC(=O)N1)c2cccc(c2)Br 2230a_100102422761_100015307671 [0,1,0,0,0,1|1,0,1]=4 356 B19R2.124539 CC[C@H](NC[C@H]1COC(=O)N1)c2cccc(c2)Br 34a_100102422761_100015307671 [0,1,0,0,0,1|1,0,1]=4 357 B19R2.466633 CC(C)C(OCC1COC(=O)O1)c2ccccc2 34a_200011217822_100000073702 [0,1,0,0,0,1|2,0,0]=4 358 B19R2.466633 CC(C)C(OC[C@H]1COC(=O)N1)c2ccccc2 34a_200011217822_100015307671 [0,1,0,0,0,1|1,0,1]=4 359 B19R2.466633 CC(C)C(OC[C@H]1COC(=O)N1)c2ccccc2 7a_200011217822_100015307671 [0,1,0,0,0,1|1,0,1]=4 360 B19R2.466633 CC(C)[C@H](CNC1COC(=O)O1)c2ccccc2 34a_200009885855_100000032252 [0,1,0,0,0,1|2,0,0]=4 361 B19R2.466633 CC(C)[C@H](NCC1COC(=O)O1)c2ccccc2 34a_100015186014_100000073702 [0,1,0,0,0,1|2,0,0]=4 362 B19R2.466633 CC(C)[C@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100015186014_100015307671 [0,1,0,0,0,1|1,0,1]=4 363 B19R2.466633 CC(C)[C@H](NC[C@H]1COC(=O)N1)c2ccccc2 34a_100015186014_100015307671 [0,1,0,0,0,1|1,0,1]=4 364 B19R2.466633 C[C@H](O)[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100134616770_100015307671 [0,1,0,0,0,1|1,0,1]=4 365 B19R2.1115757 CCC(OCC1COC(=O)O1)c2ccccc2F 34a_200011689290_100000073702 [0,1,0,0,0,1|2,0,0]=4 366 B19R2.1115757 CCC(OC[C@H]1COC(=O)N1)c2ccccc2F 34a_200011689290_100015307671 [0,1,0,0,0,1|1,0,1]=4 367 B19R2.1115757 CCC(OC[C@H]1COC(=O)N1)c2ccccc2F 7a_200011689290_100015307671 [0,1,0,0,0,1|1,0,1]=4 368 B19R2.1115757 CC[C@H](NCC1COC(=O)O1)c2ccccc2Cl 34a_200016987949_100000073702 [0,1,0,0,0,1|2,0,0]=4 369 B19R2.1115757 CC[C@H](NCC1COC(=O)O1)c2ccccc2F 34a_100015190424_100000073702 [0,1,0,0,0,1|2,0,0]=4 370 B19R2.1115757 CC[C@H](NC[C@H]1COC(=O)N1)c2ccccc2Cl 2230a_200016987949_100015307671 [0,1,0,0,0,1|1,0,1]=4 371 B19R2.1115757 CC[C@H](NC[C@H]1COC(=O)N1)c2ccccc2Cl 34a_200016987949_100015307671 [0,1,0,0,0,1|1,0,1]=4 372 B19R2.1115757 CC[C@H](NC[C@H]1COC(=O)N1)c2ccccc2F 2230a_100015190424_100015307671 [0,1,0,0,0,1|1,0,1]=4 373 B19R2.1115757 CC[C@H](NC[C@H]1COC(=O)N1)c2ccccc2F 34a_100015190424_100015307671 [0,1,0,0,0,1|1,0,1]=4 374 B19R2.1741356 CCC(C)(OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000748282_100015307671 [0,1,0,0,0,1|1,0,1]=4 375 B19R2.9817 NC1=NC(CS1)C(=O)C(CCCl)c2ccccc2 1458a_100000002200_200010132975 [0,2,0,0,0,0|0,1,1]=4 376 B17R2.137 NC(=O)OCCN[C@H]1CCc2c1cccc2 34a_100016989578_200011214921 [0,0,1,1,0,0|2,0,0]=4 377 B17R2.137 NC(=O)OCCOC1CCc2c1cccc2 34a_100000212247_200011214921 [0,0,1,1,0,0|2,0,0]=4 378 B17R2.137 NC(=O)OCCOC1CCc2c1cccc2 7a_100000212247_200011214921 [0,0,1,1,0,0|2,0,0]=4 379 B17R2.137 NC(=O)OCCSC1CCc2c1cccc2 62a_200011214921_200000721974 [0,0,1,1,0,0|2,0,0]=4 380 B17R2.5668 NC(=O)OCCN1CCC1c2ccccc2 269982a_100000739605_200011214921 [0,0,1,1,0,0|2,0,0]=4 381 B19R3.82 O=C1OCC(O1)N2CCC(C2)c3ccccc3 34a_100000747531_100000032252 [0,0,0,1,0,1|2,0,0]=4 382 B19R3.3759 O=C1N[C@H](CO1)CN[C@H]2CCc3c2cccc3 2230a_100016989578_100015307671 [0,0,0,1,0,1|1,0,1]=4 383 B19R3.3759 O=C1N[C@H](CO1)CN[C@H]2CCc3c2cccc3 34a_100016989578_100015307671 [0,0,0,1,0,1|1,0,1]=4 384 B19R3.3759 O=C1N[C@H](CO1)COC2CCc3c2cccc3 34a_100000212247_100015307671 [0,0,0,1,0,1|1,0,1]=4 385 B19R3.3759 O=C1N[C@H](CO1)COC2CCc3c2cccc3 7a_100000212247_100015307671 [0,0,0,1,0,1|1,0,1]=4 386 B19R3.3759 O=C1N[C@H](CO1)CSC2CCc3c2cccc3 62a_100015307671_200000721974 [0,0,0,1,0,1|1,0,1]=4 387 B19R3.3759 O=C1OCC(O1)CN[C@H]2CCc3c2cccc3 34a_100016989578_100000073702 [0,0,0,1,0,1|2,0,0]=4 388 B19R3.3759 O=C1OCC(O1)COC2CCc3c2cccc3 34a_100000212247_100000073702 [0,0,0,1,0,1|2,0,0]=4 389 B19R3.3759 O=C1OCC(O1)CSC2CCc3c2cccc3 62a_100000073702_200000721974 [0,0,0,1,0,1|2,0,0]=4 390 B19R3.3759 O=C1OCC(O1)NCC2CCc3c2cccc3 34a_100020632452_100000032252 [0,0,0,1,0,1|2,0,0]=4 391 B19R3.50977 O=C1N[C@H](CO1)CNC2(CC2)c3ccccc3 2230a_100000749958_100015307671 [0,0,0,1,0,1|1,0,1]=4 392 B19R3.50977 O=C1OCC(O1)NCC2(CC2)c3ccccc3 34a_100000242008_100000032252 [0,0,0,1,0,1|2,0,0]=4 393 B19R3.50977 O=C1OCC(O1)OCC2(CC2)c3ccccc3 34a_100000704256_100000032252 [0,0,0,1,0,1|2,0,0]=4 394 B15R1.523 CCC(NC(C)C(=O)N)c1ccccc1 2230a_100000737752_100000702099 [0,0,1,0,1,0|1,0,1]=4 395 B15R1.523 CCC(OC(C)C(=O)N)c1ccccc1 34a_100000698172_100000702099 [0,0,1,0,1,0|1,0,1]=4 396 B15R1.523 CCC(OC(C)C(=O)N)c1ccccc1 7a_100000698172_100000702099 [0,0,1,0,1,0|1,0,1]=4 397 B15R1.1097 CCC(NCC(=O)OC)c1ccccc1 2230a_100000737752_100000747449 [0,0,1,0,1,0|2,0,0]=4 398 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 34a_100000698172_100000747449 [0,0,1,0,1,0|2,0,0]=4 399 B15R1.1097 CCC(OCC(=O)OC)c1ccccc1 7a_100000698172_100000747449 [0,0,1,0,1,0|2,0,0]=4 400 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 2230a_100000210013_100000204255 [0,0,1,0,1,0|2,0,0]=4 401 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 269982a_100000210013_100000204255 [0,0,1,0,1,0|2,0,0]=4 402 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 269982a_100011203847_100000204670 [0,0,1,0,1,0|2,0,0]=4 403 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 34a_100000210013_100000742370 [0,0,1,0,1,0|2,0,0]=4 404 B15R1.1097 CCN(CCC(=O)OC)c1ccccc1 34a_100011203847_100000210202 [0,0,1,0,1,0|2,0,0]=4 405 B15R2.1331 CCC(NC1COC1)c2ccccc2 269862a_100016991112_100000210124 [1,0,0,0,1,0|1,0,1]=4 406 B15R2.1331 CCC(OC1COC1)c2ccccc2 34a_100000698172_100009818527 [1,0,0,0,1,0|1,0,1]=4 407 B15R2.1331 CCC(OC1COC1)c2ccccc2 7a_100000698172_100009818527 [1,0,0,0,1,0|1,0,1]=4 408 B15R2.1331 CCN(CC1COC1)c2ccccc2 2230a_100000210013_100010264016 [1,0,0,0,1,0|1,0,1]=4 409 B15R2.1331 CCN(CC1COC1)c2ccccc2 269982a_100000210013_100010264016 [1,0,0,0,1,0|1,0,1]=4 410 B15R2.1331 CCN(CC1COC1)c2ccccc2 34a_100000210013_100010264016 [1,0,0,0,1,0|1,0,1]=4 411 B17R1.2579 CCC(COCCCC(=O)N)c1ccccc1 34a_100000752371_100102525003 [0,0,1,0,0,1|2,0,0]=4 412 B17R1.2579 CCC(COCCCC(=O)N)c1ccccc1 7a_100000752371_100102525003 [0,0,1,0,0,1|2,0,0]=4 413 B17R1.2579 CCC(COCCNC(=O)N)c1ccccc1 7a_100000752371_200000034859 [0,0,1,0,0,1|2,0,0]=4 414 B17R1.2579 CCC(COCCOC(=O)C)c1ccccc1 34a_100000752371_100009814007 [0,0,1,0,0,1|2,0,0]=4 415 B17R1.2579 CCC(COCCOC(=O)C)c1ccccc1 7a_100000752371_100009814007 [0,0,1,0,0,1|2,0,0]=4 416 B17R1.2579 CCC(COCCOC(=O)N)c1ccccc1 34a_100000752371_200011214921 [0,0,1,0,0,1|1,0,0]=3 417 B17R1.2579 CCC(COCCOC(=O)N)c1ccccc1 7a_100000752371_200011214921 [0,0,1,0,0,1|1,0,0]=3 418 B17R1.2579 CCC(NCCCCC(=O)N)c1ccccc1 269862a_100000696515_100000210124 [0,0,1,0,0,1|2,0,0]=4 419 B17R1.2579 CCC(NCCCOC(=S)C)c1ccccc1 2230a_100000737752_200135323944 [0,0,1,0,0,1|2,0,0]=4 420 B17R1.2579 CCC(NCCOCC(=O)N)c1ccccc1 2230a_100000737752_100000076697 [0,0,1,0,0,1|2,0,0]=4 421 B17R1.2579 CCC(OCCCOC(=O)C)c1ccccc1 34a_100000698172_100000042594 [0,0,1,0,0,1|2,0,0]=4 422 B17R1.2579 CCC(OCCCOC(=O)C)c1ccccc1 7a_100000698172_100000042594 [0,0,1,0,0,1|2,0,0]=4 423 B17R1.2579 CCC(OCCCOC(=S)C)c1ccccc1 34a_100000698172_200135323944 [0,0,1,0,0,1|2,0,0]=4 424 B17R1.2579 CCC(OCCCOC(=S)C)c1ccccc1 7a_100000698172_200135323944 [0,0,1,0,0,1|2,0,0]=4 425 B17R1.2579 CCC(OCCOCC(=O)N)c1ccccc1 34a_100000698172_100000076697 [0,0,1,0,0,1|2,0,0]=4 426 B17R1.2579 CCC(OCCOCC(=O)N)c1ccccc1 7a_100000698172_100000076697 [0,0,1,0,0,1|2,0,0]=4 427 B17R1.2579 COC(COCCOC(=O)N)c1ccccc1 34a_100011215540_200011214921 [0,0,1,0,0,1|2,0,0]=4 428 B17R1.2579 COC(COCCOC(=O)N)c1ccccc1 7a_100011215540_200011214921 [0,0,1,0,0,1|2,0,0]=4 429 B17R1.2652 CCC(Cc1ccccc1)OCCOC(=O)N 7a_100000760156_200011214921 [0,0,1,0,0,1|2,0,0]=4 430 B17R1.31033 C=CC[C@H](CO)NCC(CC)c1ccccc1 270004a_100020615467_100000753018 [0,0,1,0,0,1|2,0,0]=4 431 B17R2.17880 CCC(CNC1CC=CC1)c2ccccc2 270004a_100015188752_100000753018 [1,0,0,0,0,1|2,0,0]=4 432 B17R2.17880 CCC(CN[C@@H]1CCOC1)c2ccccc2 270004a_200015188469_100000753018 [1,0,0,0,0,1|1,0,1]=4 433 B17R2.17880 CCC(CN[C@H]1CCOC1)c2ccccc2 270004a_100015188467_100000753018 [1,0,0,0,0,1|1,0,1]=4 434 B17R2.17880 CCC(COC1CCOC1)c2ccccc2 34a_100000752371_100000690089 [1,0,0,0,0,1|1,0,1]=4 435 B17R2.17880 CCC(COC1CCOC1)c2ccccc2 7a_100000752371_100000731011 [1,0,0,0,0,1|1,0,1]=4 436 B17R2.17880 CCC(NCC1CCOC1)c2ccccc2 2230a_100000737752_100000702531 [1,0,0,0,0,1|1,0,1]=4 437 B17R2.17880 CCC(NCC1CCOC1)c2ccccc2 269862a_100000737293_100000210124 [1,0,0,0,0,1|1,0,1]=4 438 B17R2.17880 CCC(NCc1cocn1)c2ccccc2 269862a_100015188801_100000210124 [1,0,0,0,0,1|0,0,2]=4 439 B17R2.17880 CCC(NCc1cocn1)c2ccccc2 270004a_100000737752_100000050382 [1,0,0,0,0,1|0,0,2]=4 440 B17R2.17880 CCC(OCC1CCOC1)c2ccccc2 34a_100000698172_100011261433 [1,0,0,0,0,1|1,0,1]=4 441 B17R2.17880 CCC(OCC1CCOC1)c2ccccc2 7a_100000698172_100000702531 [1,0,0,0,0,1|1,0,1]=4 442 B17R2.17880 CCC(OCc1ncon1)c2ccccc2 34a_100000698172_100000233494 [1,0,0,0,0,1|1,0,1]=4 443 B17R2.3241 CC(CNC1COC(=O)O1)c2ccccc2 34a_100000701038_100000032252 [1,0,0,0,0,1|2,0,0]=4 444 B17R2.3241 CC(COC1COC(=O)O1)c2ccccc2 34a_100011215166_100000032252 [1,0,0,0,0,1|2,0,0]=4 445 B17R2.3241 CC(CSC1COC(=O)O1)c2ccccc2 62a_100000756946_100000032252 [1,0,0,0,0,1|2,0,0]=4 446 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000073702_100000230085 [1,0,0,0,0,1|2,0,0]=4 447 B17R2.3241 CC(SCC1COC(=O)O1)c2ccccc2 62a_100000230085_100000073702 [1,0,0,0,0,1|2,0,0]=4 448 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100000230085_100015307671 [1,0,0,0,0,1|1,0,1]=4 449 B17R2.3241 CC(SC[C@H]1COC(=O)N1)c2ccccc2 62a_100015307671_100000230085 [1,0,0,0,0,1|1,0,1]=4 450 B17R2.3241 C[C@@H](NC[C@H]1COC(=O)N1)c2ccccc2 2230a_100000751104_100015307671 [1,0,0,0,0,1|1,0,1]=4 451 B17R2.3241 C[C@@H](OCC1COC(=O)O1)c2ccccc2 34a_100000761318_100000073702 [1,0,0,0,0,1|2,0,0]=4 452 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 34a_100000761318_100015307671 [1,0,0,0,0,1|1,0,1]=4 453 B17R2.3241 C[C@@H](OC[C@H]1COC(=O)N1)c2ccccc2 7a_100000761318_100015307671 [1,0,0,0,0,1|1,0,1]=4 454 B19R2.124540 CCC(Cc1ccccc1)OC[C@H]2COC(=O)N2 7a_100000760156_100015307671 [0,0,0,0,0,2|1,0,1]=4 455 B19R2.207175 CCC(COCC1COC(=O)O1)c2ccccc2 34a_100000752371_100000073702 [0,0,0,0,0,2|2,0,0]=4 456 B19R2.207175 CCC(COC[C@H]1COC(=O)N1)c2ccccc2 34a_100000752371_100015307671 [0,0,0,0,0,2|1,0,1]=4 457 B19R2.207175 CCC(COC[C@H]1COC(=O)N1)c2ccccc2 7a_100000752371_100015307671 [0,0,0,0,0,2|1,0,1]=4