0 B17R2.2342 CC(=NNc1ccccc1)c2ccccc2 4a_100015195140_100000185851 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.2342 CC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100000185851 [0,0,0,0,0,0|2,0,1]=3 2 B17R2.2342 CC(=NNc1ccccn1)c2ccccn2 4a_100000183288_100000210467 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.2342 CC(=NNc1ccccn1)c2cccnc2 4a_100000183288_100000210468 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.2342 CC(=NNc1ccccn1)c2ccncc2 4a_100000183288_100000185792 [0,0,0,0,0,0|3,0,1]=4 5 B17R2.2342 CC(=NNc1cccnn1)c2ccccc2 4a_100000757824_100000185851 [0,0,0,0,0,0|3,0,1]=4 6 B17R2.2342 CC(=NNc1ccncn1)c2ccccc2 4a_100011438088_100000185851 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.2342 CC(=NNc1cnccn1)c2ccccc2 4a_100000736894_100000185851 [0,0,0,0,0,0|3,0,1]=4 8 B17R2.2342 CC(=NNc1ncccn1)c2ccccc2 4a_100000736892_100000185851 [0,0,0,0,0,0|3,0,1]=4 9 B17R2.2342 CC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000756946 [0,0,0,0,0,0|2,0,0]=2 10 B17R2.2342 CC(CNc1cccnn1)c2ccccc2 27a_100000701038_100016991348 [0,0,0,0,0,0|2,0,0]=2 11 B17R2.2342 CC(CNc1ccncn1)c2ccccc2 27a_100000701038_100000703185 [0,0,0,0,0,0|2,0,0]=2 12 B17R2.2342 CC(CNc1cnccn1)c2ccccc2 27a_100000701038_100000211759 [0,0,0,0,0,0|2,0,0]=2 13 B17R2.2342 CC(CNc1ncccn1)c2ccccc2 27a_100000701038_100000211032 [0,0,0,0,0,0|2,0,0]=2 14 B17R2.2342 CC(COc1ccccc1)c2ccccc2 34a_100000210340_100000756946 [0,0,0,0,0,0|3,0,0]=3 15 B17R2.2342 CC(COc1ccccc1)c2ccccc2 7a_100000210340_100000756946 [0,0,0,0,0,0|3,0,0]=3 16 B17R2.2342 CC(COc1cccnc1)c2ccccc2 34a_100000210849_100000756946 [0,0,0,0,0,0|4,0,0]=4 17 B17R2.2342 CC(COc1cccnc1)c2ccccc2 7a_100000210849_100000756946 [0,0,0,0,0,0|4,0,0]=4 18 B17R2.2342 CC(COc1ccncc1)c2ccccc2 34a_100000212176_100000756946 [0,0,0,0,0,0|4,0,0]=4 19 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000756946 [0,0,0,0,0,0|3,0,0]=3 20 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000756946_100000041952 [0,0,0,0,0,0|3,0,0]=3 21 B17R2.2342 CC(CSc1ccccn1)c2ccccc2 62a_100000756946_100011216584 [0,0,0,0,0,0|2,0,0]=2 22 B17R2.2342 CC(CSc1ccccn1)c2ccccc2 62a_100011216584_100000756946 [0,0,0,0,0,0|2,0,0]=2 23 B17R2.2342 CC(CSc1cccnc1)c2ccccc2 62a_100000210063_100000756946 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.2342 CC(CSc1cccnc1)c2ccccc2 62a_100000756946_100000210063 [0,0,0,0,0,0|4,0,0]=4 25 B17R2.2342 CC(CSc1cccnn1)c2ccccc2 62a_100000756946_100016991348 [0,0,0,0,0,0|3,0,0]=3 26 B17R2.2342 CC(CSc1cccnn1)c2ccccc2 62a_100016991348_100000756946 [0,0,0,0,0,0|3,0,0]=3 27 B17R2.2342 CC(CSc1ccncc1)c2ccccc2 62a_100000728582_100000756946 [0,0,0,0,0,0|4,0,0]=4 28 B17R2.2342 CC(CSc1ccncc1)c2ccccc2 62a_100000756946_100000728582 [0,0,0,0,0,0|4,0,0]=4 29 B17R2.2342 CC(CSc1ccncn1)c2ccccc2 62a_100000703185_100000756946 [0,0,0,0,0,0|3,0,0]=3 30 B17R2.2342 CC(CSc1ccncn1)c2ccccc2 62a_100000756946_100000703185 [0,0,0,0,0,0|3,0,0]=3 31 B17R2.2342 CC(CSc1cnccn1)c2ccccc2 62a_100000211759_100000756946 [0,0,0,0,0,0|3,0,0]=3 32 B17R2.2342 CC(CSc1cnccn1)c2ccccc2 62a_100000756946_100000211759 [0,0,0,0,0,0|3,0,0]=3 33 B17R2.2342 CC(CSc1ncccn1)c2ccccc2 62a_100000211032_100000756946 [0,0,0,0,0,0|3,0,0]=3 34 B17R2.2342 CC(CSc1ncccn1)c2ccccc2 62a_100000756946_100000211032 [0,0,0,0,0,0|3,0,0]=3 35 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 2230a_100015324214_100000230085 [0,0,0,0,0,0|4,0,0]=4 36 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 269862a_100015324214_100000185851 [0,0,0,0,0,0|4,0,0]=4 37 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 34a_100015324214_100000211855 [0,0,0,0,0,0|4,0,0]=4 38 B17R2.2342 CC(NCc1ccccn1)c2ccccn2 207a_100000181244_100000209966 [0,0,0,0,0,0|4,0,0]=4 39 B17R2.2342 CC(NCc1ccccn1)c2ccccn2 2230a_100000181244_100000721315 [0,0,0,0,0,0|4,0,0]=4 40 B17R2.2342 CC(NCc1ccccn1)c2ccccn2 270004a_100000181244_100000209966 [0,0,0,0,0,0|4,0,0]=4 41 B17R2.2342 CC(NCc1ccccn1)c2cccnc2 207a_100000195435_100000209966 [0,0,0,0,0,0|4,0,0]=4 42 B17R2.2342 CC(NCc1ccccn1)c2cccnc2 2230a_100000195435_100000721315 [0,0,0,0,0,0|4,0,0]=4 43 B17R2.2342 CC(NCc1ccccn1)c2cccnc2 270004a_100000195435_100000209966 [0,0,0,0,0,0|4,0,0]=4 44 B17R2.2342 CC(NCc1ccccn1)c2ccncc2 207a_100000181269_100000209966 [0,0,0,0,0,0|4,0,0]=4 45 B17R2.2342 CC(NCc1ccccn1)c2ccncc2 2230a_100000181269_100000721315 [0,0,0,0,0,0|4,0,0]=4 46 B17R2.2342 CC(NCc1ccccn1)c2ccncc2 270004a_100000181269_100000209966 [0,0,0,0,0,0|4,0,0]=4 47 B17R2.2342 CC(NCc1cccnn1)c2ccccc2 2230a_100159270163_100000230085 [0,0,0,0,0,0|4,0,0]=4 48 B17R2.2342 CC(NCc1cccnn1)c2ccccc2 269862a_100159270163_100000185851 [0,0,0,0,0,0|4,0,0]=4 49 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 34a_100000210790_100000211855 [0,0,0,0,0,0|4,0,0]=4 50 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 7a_100000210790_100000230085 [0,0,0,0,0,0|4,0,0]=4 51 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000211182_100000230085 [0,0,0,0,0,0|4,0,0]=4 52 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000230085_100015291786 [0,0,0,0,0,0|4,0,0]=4 53 B17R2.2342 CC(SCc1ccccn1)c2ccccc2 62a_100000230085_100000721315 [0,0,0,0,0,0|3,0,0]=3 54 B17R2.2342 CC(SCc1ccccn1)c2ccccc2 62a_100000721315_100000230085 [0,0,0,0,0,0|3,0,0]=3 55 B17R2.2342 CC(SCc1cccnn1)c2ccccc2 62a_100000230085_100016990269 [0,0,0,0,0,0|4,0,0]=4 56 B17R2.2342 CC(SCc1cccnn1)c2ccccc2 62a_100016990269_100000230085 [0,0,0,0,0,0|4,0,0]=4 57 B17R2.2342 CC(SCc1cnccn1)c2ccccc2 62a_100000230085_100016995436 [0,0,0,0,0,0|4,0,0]=4 58 B17R2.2342 CC(SCc1cnccn1)c2ccccc2 62a_100016995436_100000230085 [0,0,0,0,0,0|4,0,0]=4 59 B17R2.2342 CC(SCc1ncccn1)c2ccccc2 62a_100000230085_100000703007 [0,0,0,0,0,0|4,0,0]=4 60 B17R2.2342 CC(SCc1ncccn1)c2ccccc2 62a_100000703007_100000230085 [0,0,0,0,0,0|4,0,0]=4 61 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 2230a_100000210012_100000765856 [0,0,0,0,0,0|4,0,0]=4 62 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 269982a_100000210012_100000765856 [0,0,0,0,0,0|4,0,0]=4 63 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 34a_100000210012_100000765856 [0,0,0,0,0,0|4,0,0]=4 64 B17R2.2342 CN(CCc1ccccn1)c2ccccc2 2230a_100000210012_100015183660 [0,0,0,0,0,0|3,0,0]=3 65 B17R2.2342 CN(CCc1ccccn1)c2ccccc2 269982a_100000210012_100015183660 [0,0,0,0,0,0|3,0,0]=3 66 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 2230a_100000210012_100011218342 [0,0,0,0,0,0|4,0,0]=4 67 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 269982a_100000210012_100011218342 [0,0,0,0,0,0|4,0,0]=4 68 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 207a_100000751104_100015611070 [0,0,0,0,0,0|4,0,0]=4 69 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 2230a_100000751104_100015291786 [0,0,0,0,0,0|4,0,0]=4 70 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 270004a_100000751104_100015611070 [0,0,0,0,0,0|4,0,0]=4 71 B17R2.2342 C[C@@H](NCc1ccccn1)c2ccccc2 207a_100000751104_100000209966 [0,0,0,0,0,0|3,0,0]=3 72 B17R2.2342 C[C@@H](NCc1ccccn1)c2ccccc2 2230a_100000751104_100000721315 [0,0,0,0,0,0|3,0,0]=3 73 B17R2.2342 C[C@@H](NCc1ccccn1)c2ccccc2 270004a_100000751104_100000209966 [0,0,0,0,0,0|3,0,0]=3 74 B17R2.2342 C[C@@H](NCc1cccnn1)c2ccccc2 2230a_100000751104_100016990269 [0,0,0,0,0,0|4,0,0]=4 75 B17R2.2342 C[C@@H](NCc1cnccn1)c2ccccc2 2230a_100000751104_100016995436 [0,0,0,0,0,0|4,0,0]=4 76 B17R2.2342 C[C@@H](NCc1cnccn1)c2ccccc2 270004a_100000751104_100000749867 [0,0,0,0,0,0|4,0,0]=4 77 B17R2.2342 C[C@@H](NCc1ncccn1)c2ccccc2 2230a_100000751104_100000703007 [0,0,0,0,0,0|4,0,0]=4 78 B17R2.2342 C[C@@H](NCc1ncccn1)c2ccccc2 270004a_100000751104_100011532527 [0,0,0,0,0,0|4,0,0]=4 79 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 34a_100000761318_100015291786 [0,0,0,0,0,0|4,0,0]=4 80 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 7a_100000761318_100000211182 [0,0,0,0,0,0|4,0,0]=4 81 B17R2.2342 C[C@@H](OCc1ccccn1)c2ccccc2 34a_100000761318_100000721315 [0,0,0,0,0,0|3,0,0]=3 82 B17R2.2342 C[C@@H](OCc1ccccn1)c2ccccc2 7a_100000761318_100000721315 [0,0,0,0,0,0|3,0,0]=3 83 B17R2.2342 C[C@@H](OCc1cccnn1)c2ccccc2 34a_100000761318_100016990269 [0,0,0,0,0,0|4,0,0]=4 84 B17R2.2342 C[C@@H](OCc1cccnn1)c2ccccc2 7a_100000761318_100016990269 [0,0,0,0,0,0|4,0,0]=4 85 B17R2.2342 C[C@@H](OCc1cnccn1)c2ccccc2 34a_100000761318_100016995436 [0,0,0,0,0,0|4,0,0]=4 86 B17R2.2342 C[C@@H](OCc1cnccn1)c2ccccc2 7a_100000761318_100016995436 [0,0,0,0,0,0|4,0,0]=4 87 B17R2.2342 C[C@@H](OCc1ncccn1)c2ccccc2 34a_100000761318_100000703007 [0,0,0,0,0,0|4,0,0]=4 88 B17R2.2342 C[C@@H](OCc1ncccn1)c2ccccc2 7a_100000761318_100000703007 [0,0,0,0,0,0|4,0,0]=4 89 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 1458a_100000185807_100000765856 [0,0,0,0,0,0|2,0,2]=4 90 B17R2.2342 O=C(CCc1ccccn1)c2ccccc2 1458a_100000185807_100015183660 [0,0,0,0,0,0|1,0,2]=3 91 B17R2.2342 O=C(CNc1ccccc1)c2ccccn2 34a_100000106764_100000027445 [0,0,0,0,0,0|2,0,2]=4 92 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 7a_100000210340_100000211460 [0,0,0,0,0,0|2,0,2]=4 93 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000211460_100000041952 [0,0,0,0,0,0|2,0,2]=4 94 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000719477_100000211460 [0,0,0,0,0,0|2,0,2]=4 95 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 62a_100000211460_100011216584 [0,0,0,0,0,0|1,0,2]=3 96 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 62a_100011216584_100000211460 [0,0,0,0,0,0|1,0,2]=3 97 B17R2.2342 O=C(CSc1ccccn1)c2ccccn2 62a_100000027445_100011216584 [0,0,0,0,0,0|2,0,2]=4 98 B17R2.2342 O=C(CSc1ccccn1)c2ccccn2 62a_100011216584_100000027445 [0,0,0,0,0,0|2,0,2]=4 99 B17R2.2342 O=C(CSc1ccccn1)c2cccnc2 62a_100000757877_100011216584 [0,0,0,0,0,0|2,0,2]=4 100 B17R2.2342 O=C(CSc1ccccn1)c2cccnc2 62a_100011216584_100000757877 [0,0,0,0,0,0|2,0,2]=4 101 B17R2.2342 O=C(CSc1ccccn1)c2ccncc2 62a_100000027454_100011216584 [0,0,0,0,0,0|2,0,2]=4 102 B17R2.2342 O=C(CSc1ccccn1)c2ccncc2 62a_100011216584_100000027454 [0,0,0,0,0,0|2,0,2]=4 103 B17R2.2342 O=C(CSc1cccnn1)c2ccccc2 62a_100000211460_100016991348 [0,0,0,0,0,0|2,0,2]=4 104 B17R2.2342 O=C(CSc1cccnn1)c2ccccc2 62a_100016991348_100000211460 [0,0,0,0,0,0|2,0,2]=4 105 B17R2.2342 O=C(CSc1ccncn1)c2ccccc2 62a_100000211460_100000703185 [0,0,0,0,0,0|2,0,2]=4 106 B17R2.2342 O=C(CSc1ccncn1)c2ccccc2 62a_100000703185_100000211460 [0,0,0,0,0,0|2,0,2]=4 107 B17R2.2342 O=C(CSc1cnccn1)c2ccccc2 62a_100000211460_100000211759 [0,0,0,0,0,0|2,0,2]=4 108 B17R2.2342 O=C(CSc1cnccn1)c2ccccc2 62a_100000211759_100000211460 [0,0,0,0,0,0|2,0,2]=4 109 B17R2.2342 O=C(CSc1ncccn1)c2ccccc2 62a_100000211032_100000211460 [0,0,0,0,0,0|2,0,2]=4 110 B17R2.2342 O=C(CSc1ncccn1)c2ccccc2 62a_100000211460_100000211032 [0,0,0,0,0,0|2,0,2]=4 111 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 11a_100000210449_100000185807 [0,0,0,0,0,0|2,0,2]=4 112 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 1626a_100000210449_100000185807 [0,0,0,0,0,0|2,0,2]=4 113 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 240690a_100000210449_100000185807 [0,0,0,0,0,0|2,0,2]=4 114 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 527a_100000210449_100000185807 [0,0,0,0,0,0|2,0,2]=4 115 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 22a_100015195140_100000185807 [0,0,0,0,0,0|2,0,2]=4 116 B17R2.2342 O=C(NNc1ccccn1)c2ccccc2 22a_100000183288_100000185807 [0,0,0,0,0,0|1,0,2]=3 117 B17R2.2342 O=C(NNc1cccnn1)c2ccccc2 22a_100000757824_100000185807 [0,0,0,0,0,0|2,0,2]=4 118 B17R2.2342 O=C(NNc1ccncn1)c2ccccc2 22a_100011438088_100000185807 [0,0,0,0,0,0|2,0,2]=4 119 B17R2.2342 O=C(NNc1cnccn1)c2ccccc2 22a_100000736894_100000185807 [0,0,0,0,0,0|2,0,2]=4 120 B17R2.2342 O=C(NNc1ncccn1)c2ccccc2 22a_100000736892_100000185807 [0,0,0,0,0,0|2,0,2]=4 121 B17R2.2342 O=S(CSc1ccccc1)c2ccccc2 62a_100000719477_100000031784 [0,0,0,0,0,0|3,0,1]=4 122 B17R2.2342 O=S(CSc1ccccn1)c2ccccc2 62a_100011216584_100000031784 [0,0,0,0,0,0|2,0,1]=3 123 B17R2.2342 O=S(CSc1cccnn1)c2ccccc2 62a_100016991348_100000031784 [0,0,0,0,0,0|3,0,1]=4 124 B17R2.2342 O=S(CSc1ccncn1)c2ccccc2 62a_100000703185_100000031784 [0,0,0,0,0,0|3,0,1]=4 125 B17R2.2342 O=S(CSc1cnccn1)c2ccccc2 62a_100000211759_100000031784 [0,0,0,0,0,0|3,0,1]=4 126 B17R2.2342 O=S(CSc1ncccn1)c2ccccc2 62a_100000211032_100000031784 [0,0,0,0,0,0|3,0,1]=4 127 B17R2.2342 OC(CNC1C=CCCC1)c2ccccc2 2230a_100000210709_100000751183 [0,0,0,0,0,0|1,0,3]=4 128 B17R2.2342 OC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000185958 [0,0,0,0,0,0|1,0,0]=1 129 B17R2.2342 OC(CNc1cccnn1)c2ccccc2 27a_100000210709_100016991348 [0,0,0,0,0,0|1,0,0]=1 130 B17R2.2342 OC(CNc1cccnn1)c2ccccn2 27a_100000691469_100016991348 [0,0,0,0,0,0|2,0,0]=2 131 B17R2.2342 OC(CNc1cccnn1)c2cccnc2 27a_100020605170_100016991348 [0,0,0,0,0,0|2,0,0]=2 132 B17R2.2342 OC(CNc1ccncn1)c2ccccc2 27a_100000210709_100000703185 [0,0,0,0,0,0|1,0,0]=1 133 B17R2.2342 OC(CNc1ccncn1)c2ccccn2 27a_100000691469_100000703185 [0,0,0,0,0,0|2,0,0]=2 134 B17R2.2342 OC(CNc1ccncn1)c2cccnc2 27a_100020605170_100000703185 [0,0,0,0,0,0|2,0,0]=2 135 B17R2.2342 OC(CNc1cnccn1)c2ccccc2 27a_100000210709_100000211759 [0,0,0,0,0,0|1,0,0]=1 136 B17R2.2342 OC(CNc1cnccn1)c2ccccn2 27a_100000691469_100000211759 [0,0,0,0,0,0|2,0,0]=2 137 B17R2.2342 OC(CNc1cnccn1)c2cccnc2 27a_100020605170_100000211759 [0,0,0,0,0,0|2,0,0]=2 138 B17R2.2342 OC(CNc1ncccn1)c2ccccc2 27a_100000210709_100000211032 [0,0,0,0,0,0|1,0,0]=1 139 B17R2.2342 OC(CNc1ncccn1)c2ccccn2 27a_100000691469_100000211032 [0,0,0,0,0,0|2,0,0]=2 140 B17R2.2342 OC(CNc1ncccn1)c2cccnc2 27a_100020605170_100000211032 [0,0,0,0,0,0|2,0,0]=2 141 B17R2.2342 OC(COc1ccccc1)c2ccccc2 34a_100000210340_100000185958 [0,0,0,0,0,0|2,0,0]=2 142 B17R2.2342 OC(COc1ccccc1)c2ccccc2 7a_100000210340_100000185958 [0,0,0,0,0,0|2,0,0]=2 143 B17R2.2342 OC(COc1cccnc1)c2ccccc2 34a_100000210849_100000185958 [0,0,0,0,0,0|3,0,0]=3 144 B17R2.2342 OC(COc1cccnc1)c2ccccc2 7a_100000210849_100000185958 [0,0,0,0,0,0|3,0,0]=3 145 B17R2.2342 OC(COc1ccncc1)c2ccccc2 34a_100000212176_100000185958 [0,0,0,0,0,0|3,0,0]=3 146 B17R2.2342 OC(COc1ccnnc1)c2ccccc2 34a_100015204005_100000185958 [0,0,0,0,0,0|4,0,0]=4 147 B17R2.2342 OC(COc1cncnc1)c2ccccc2 7a_100000754086_100000185958 [0,0,0,0,0,0|4,0,0]=4 148 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000185958_100000041952 [0,0,0,0,0,0|2,0,0]=2 149 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000185958 [0,0,0,0,0,0|2,0,0]=2 150 B17R2.2342 OC(CSc1ccccn1)c2ccccc2 62a_100000185958_100011216584 [0,0,0,0,0,0|1,0,0]=1 151 B17R2.2342 OC(CSc1ccccn1)c2ccccc2 62a_100011216584_100000185958 [0,0,0,0,0,0|1,0,0]=1 152 B17R2.2342 OC(CSc1cccnc1)c2ccccc2 62a_100000185958_100000210063 [0,0,0,0,0,0|3,0,0]=3 153 B17R2.2342 OC(CSc1cccnc1)c2ccccc2 62a_100000210063_100000185958 [0,0,0,0,0,0|3,0,0]=3 154 B17R2.2342 OC(CSc1cccnn1)c2ccccc2 62a_100000185958_100016991348 [0,0,0,0,0,0|2,0,0]=2 155 B17R2.2342 OC(CSc1cccnn1)c2ccccc2 62a_100016991348_100000185958 [0,0,0,0,0,0|2,0,0]=2 156 B17R2.2342 OC(CSc1ccncc1)c2ccccc2 62a_100000185958_100000728582 [0,0,0,0,0,0|3,0,0]=3 157 B17R2.2342 OC(CSc1ccncc1)c2ccccc2 62a_100000728582_100000185958 [0,0,0,0,0,0|3,0,0]=3 158 B17R2.2342 OC(CSc1ccncn1)c2ccccc2 62a_100000185958_100000703185 [0,0,0,0,0,0|2,0,0]=2 159 B17R2.2342 OC(CSc1ccncn1)c2ccccc2 62a_100000703185_100000185958 [0,0,0,0,0,0|2,0,0]=2 160 B17R2.2342 OC(CSc1ccnnc1)c2ccccc2 62a_100000185958_100000732662 [0,0,0,0,0,0|4,0,0]=4 161 B17R2.2342 OC(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000185958 [0,0,0,0,0,0|4,0,0]=4 162 B17R2.2342 OC(CSc1cnccn1)c2ccccc2 62a_100000185958_100000211759 [0,0,0,0,0,0|2,0,0]=2 163 B17R2.2342 OC(CSc1cnccn1)c2ccccc2 62a_100000211759_100000185958 [0,0,0,0,0,0|2,0,0]=2 164 B17R2.2342 OC(CSc1cncnc1)c2ccccc2 62a_100000185958_100011206942 [0,0,0,0,0,0|4,0,0]=4 165 B17R2.2342 OC(CSc1cncnc1)c2ccccc2 62a_100011206942_100000185958 [0,0,0,0,0,0|4,0,0]=4 166 B17R2.2342 OC(CSc1ncccn1)c2ccccc2 62a_100000185958_100000211032 [0,0,0,0,0,0|2,0,0]=2 167 B17R2.2342 OC(CSc1ncccn1)c2ccccc2 62a_100000211032_100000185958 [0,0,0,0,0,0|2,0,0]=2 168 B17R2.2342 O[C@H](CNc1ccccc1)c2ccccc2 34a_100000106764_100011933945 [0,0,0,0,0,0|1,0,0]=1 169 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 34a_100000210340_100011933945 [0,0,0,0,0,0|2,0,0]=2 170 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 7a_100000210340_100011933945 [0,0,0,0,0,0|2,0,0]=2 171 B17R2.2342 O[C@H](COc1cccnc1)c2ccccc2 34a_100000210849_100011933945 [0,0,0,0,0,0|3,0,0]=3 172 B17R2.2342 O[C@H](COc1cccnc1)c2ccccc2 7a_100000210849_100011933945 [0,0,0,0,0,0|3,0,0]=3 173 B17R2.2342 O[C@H](COc1ccncc1)c2ccccc2 34a_100000212176_100011933945 [0,0,0,0,0,0|3,0,0]=3 174 B17R2.2342 O[C@H](COc1ccnnc1)c2ccccc2 34a_100015204005_100011933945 [0,0,0,0,0,0|4,0,0]=4 175 B17R2.2342 O[C@H](COc1cncnc1)c2ccccc2 7a_100000754086_100011933945 [0,0,0,0,0,0|4,0,0]=4 176 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100000719477_100011933945 [0,0,0,0,0,0|2,0,0]=2 177 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100011933945_100000041952 [0,0,0,0,0,0|2,0,0]=2 178 B17R2.2342 O[C@H](CSc1ccccn1)c2ccccc2 62a_100011216584_100011933945 [0,0,0,0,0,0|1,0,0]=1 179 B17R2.2342 O[C@H](CSc1ccccn1)c2ccccc2 62a_100011933945_100011216584 [0,0,0,0,0,0|1,0,0]=1 180 B17R2.2342 O[C@H](CSc1cccnc1)c2ccccc2 62a_100000210063_100011933945 [0,0,0,0,0,0|3,0,0]=3 181 B17R2.2342 O[C@H](CSc1cccnc1)c2ccccc2 62a_100011933945_100000210063 [0,0,0,0,0,0|3,0,0]=3 182 B17R2.2342 O[C@H](CSc1cccnn1)c2ccccc2 62a_100011933945_100016991348 [0,0,0,0,0,0|2,0,0]=2 183 B17R2.2342 O[C@H](CSc1cccnn1)c2ccccc2 62a_100016991348_100011933945 [0,0,0,0,0,0|2,0,0]=2 184 B17R2.2342 O[C@H](CSc1ccncc1)c2ccccc2 62a_100000728582_100011933945 [0,0,0,0,0,0|3,0,0]=3 185 B17R2.2342 O[C@H](CSc1ccncc1)c2ccccc2 62a_100011933945_100000728582 [0,0,0,0,0,0|3,0,0]=3 186 B17R2.2342 O[C@H](CSc1ccncn1)c2ccccc2 62a_100000703185_100011933945 [0,0,0,0,0,0|2,0,0]=2 187 B17R2.2342 O[C@H](CSc1ccncn1)c2ccccc2 62a_100011933945_100000703185 [0,0,0,0,0,0|2,0,0]=2 188 B17R2.2342 O[C@H](CSc1ccnnc1)c2ccccc2 62a_100000732662_100011933945 [0,0,0,0,0,0|4,0,0]=4 189 B17R2.2342 O[C@H](CSc1ccnnc1)c2ccccc2 62a_100011933945_100000732662 [0,0,0,0,0,0|4,0,0]=4 190 B17R2.2342 O[C@H](CSc1cnccn1)c2ccccc2 62a_100000211759_100011933945 [0,0,0,0,0,0|2,0,0]=2 191 B17R2.2342 O[C@H](CSc1cnccn1)c2ccccc2 62a_100011933945_100000211759 [0,0,0,0,0,0|2,0,0]=2 192 B17R2.2342 O[C@H](CSc1cncnc1)c2ccccc2 62a_100011206942_100011933945 [0,0,0,0,0,0|4,0,0]=4 193 B17R2.2342 O[C@H](CSc1cncnc1)c2ccccc2 62a_100011933945_100011206942 [0,0,0,0,0,0|4,0,0]=4 194 B17R2.2342 O[C@H](CSc1ncccn1)c2ccccc2 62a_100000211032_100011933945 [0,0,0,0,0,0|2,0,0]=2 195 B17R2.2342 O[C@H](CSc1ncccn1)c2ccccc2 62a_100011933945_100000211032 [0,0,0,0,0,0|2,0,0]=2 196 B16R2.2256 C(=Cc1ccccc1)Cc2ccccc2 271570a_200016263579_100000210277 [1,0,0,0,0,0|2,0,1]=4 197 B16R2.2256 C(=Cc1ccccn1)Cc2ccccc2 271570a_200016263579_100011216584 [1,0,0,0,0,0|1,0,1]=3 198 B16R2.2256 C(=Cc1cccnn1)Cc2ccccc2 271570a_200016263579_100016991348 [1,0,0,0,0,0|2,0,1]=4 199 B16R2.2256 C(=Cc1ccncn1)Cc2ccccc2 271570a_200016263579_100000703185 [1,0,0,0,0,0|2,0,1]=4 200 B16R2.2256 C(=Cc1cnccn1)Cc2ccccc2 271570a_200016263579_100000758340 [1,0,0,0,0,0|2,0,1]=4 201 B16R2.2256 C(=Cc1ncccn1)Cc2ccccc2 271570a_200016263579_100000211032 [1,0,0,0,0,0|2,0,1]=4 202 B16R2.2256 C(=NNc1ccccc1)c2ccccc2 4a_100015195140_100015611070 [1,0,0,0,0,0|2,0,1]=4 203 B16R2.2256 C(=NNc1ccccc1)c2ccccn2 4a_100015195140_100000209966 [1,0,0,0,0,0|3,0,0]=4 204 B16R2.2256 C(=NNc1ccccn1)c2ccccc2 4a_100000183288_100015611070 [1,0,0,0,0,0|1,0,1]=3 205 B16R2.2256 C(=NNc1ccccn1)c2ccccn2 4a_100000183288_100000209966 [1,0,0,0,0,0|2,0,1]=4 206 B16R2.2256 C(=NNc1ccccn1)c2cccnc2 4a_100000183288_100000209961 [1,0,0,0,0,0|2,0,1]=4 207 B16R2.2256 C(=NNc1ccccn1)c2ccncc2 4a_100000183288_100000186114 [1,0,0,0,0,0|2,0,1]=4 208 B16R2.2256 C(=NNc1cccnn1)c2ccccc2 4a_100000757824_100015611070 [1,0,0,0,0,0|2,0,1]=4 209 B16R2.2256 C(=NNc1ccncn1)c2ccccc2 4a_100011438088_100015611070 [1,0,0,0,0,0|2,0,1]=4 210 B16R2.2256 C(=NNc1cnccn1)c2ccccc2 4a_100000736894_100015611070 [1,0,0,0,0,0|2,0,1]=4 211 B16R2.2256 C(=NNc1ncccn1)c2ccccc2 4a_100000736892_100015611070 [1,0,0,0,0,0|2,0,1]=4 212 B16R2.2256 c1cc(ccn1)CCNc2ccncn2 27a_100000742849_100000703185 [1,0,0,0,0,0|2,0,0]=3 213 B16R2.2256 c1cc(ccn1)CCNc2cnccn2 27a_100000742849_100000211759 [1,0,0,0,0,0|2,0,0]=3 214 B16R2.2256 c1cc(ccn1)CCSc2ccncn2 62a_100000703185_100000723409 [1,0,0,0,0,0|3,0,0]=4 215 B16R2.2256 c1cc(ccn1)CCSc2ccncn2 62a_100000723409_100000703185 [1,0,0,0,0,0|3,0,0]=4 216 B16R2.2256 c1cc(ccn1)CCSc2cnccn2 62a_100000211759_100000723409 [1,0,0,0,0,0|3,0,0]=4 217 B16R2.2256 c1cc(ccn1)CCSc2cnccn2 62a_100000723409_100000211759 [1,0,0,0,0,0|3,0,0]=4 218 B16R2.2256 c1cc(ncn1)NCCc2cnccn2 27a_100000723456_100000703185 [1,0,0,0,0,0|3,0,0]=4 219 B16R2.2256 c1ccc(cc1)CCNc2ccccc2 34a_100000106764_100000765856 [1,0,0,0,0,0|1,0,0]=2 220 B16R2.2256 c1ccc(cc1)CCNc2cccnn2 27a_100000106460_100016991348 [1,0,0,0,0,0|1,0,0]=2 221 B16R2.2256 c1ccc(cc1)CCNc2ccncn2 27a_100000106460_100000703185 [1,0,0,0,0,0|1,0,0]=2 222 B16R2.2256 c1ccc(cc1)CCNc2cnccn2 27a_100000106460_100000211759 [1,0,0,0,0,0|1,0,0]=2 223 B16R2.2256 c1ccc(cc1)CCNc2ncccn2 27a_100000106460_100000211032 [1,0,0,0,0,0|1,0,0]=2 224 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 34a_100000210340_100000765856 [1,0,0,0,0,0|2,0,0]=3 225 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 7a_100000210340_100000765856 [1,0,0,0,0,0|2,0,0]=3 226 B16R2.2256 c1ccc(cc1)CCOc2cccnc2 34a_100000210849_100000765856 [1,0,0,0,0,0|3,0,0]=4 227 B16R2.2256 c1ccc(cc1)CCOc2cccnc2 7a_100000210849_100000765856 [1,0,0,0,0,0|3,0,0]=4 228 B16R2.2256 c1ccc(cc1)CCOc2ccncc2 34a_100000212176_100000765856 [1,0,0,0,0,0|3,0,0]=4 229 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011218657 [1,0,0,0,0,0|2,0,0]=3 230 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000765856_100000041952 [1,0,0,0,0,0|2,0,0]=3 231 B16R2.2256 c1ccc(cc1)CCSc2ccccn2 62a_100000765856_100011216584 [1,0,0,0,0,0|1,0,0]=2 232 B16R2.2256 c1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011218657 [1,0,0,0,0,0|1,0,0]=2 233 B16R2.2256 c1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011218657 [1,0,0,0,0,0|3,0,0]=4 234 B16R2.2256 c1ccc(cc1)CCSc2cccnc2 62a_100000765856_100000210063 [1,0,0,0,0,0|3,0,0]=4 235 B16R2.2256 c1ccc(cc1)CCSc2cccnn2 62a_100000765856_100016991348 [1,0,0,0,0,0|2,0,0]=3 236 B16R2.2256 c1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011218657 [1,0,0,0,0,0|2,0,0]=3 237 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011218657 [1,0,0,0,0,0|3,0,0]=4 238 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000765856_100000728582 [1,0,0,0,0,0|3,0,0]=4 239 B16R2.2256 c1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011218657 [1,0,0,0,0,0|2,0,0]=3 240 B16R2.2256 c1ccc(cc1)CCSc2ccncn2 62a_100000765856_100000703185 [1,0,0,0,0,0|2,0,0]=3 241 B16R2.2256 c1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011218657 [1,0,0,0,0,0|2,0,0]=3 242 B16R2.2256 c1ccc(cc1)CCSc2cnccn2 62a_100000765856_100000211759 [1,0,0,0,0,0|2,0,0]=3 243 B16R2.2256 c1ccc(cc1)CCSc2ncccn2 62a_100000211032_100011218657 [1,0,0,0,0,0|2,0,0]=3 244 B16R2.2256 c1ccc(cc1)CCSc2ncccn2 62a_100000765856_100000211032 [1,0,0,0,0,0|2,0,0]=3 245 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 207a_100015324214_100015611070 [1,0,0,0,0,0|3,0,0]=4 246 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100015291786 [1,0,0,0,0,0|3,0,0]=4 247 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100015611070 [1,0,0,0,0,0|3,0,0]=4 248 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 34a_100015324214_100015291786 [1,0,0,0,0,0|3,0,0]=4 249 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 207a_100015324214_100000209966 [1,0,0,0,0,0|2,0,0]=3 250 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 2230a_100015324214_100000721315 [1,0,0,0,0,0|2,0,0]=3 251 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100015611070 [1,0,0,0,0,0|2,0,0]=3 252 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 270004a_100015324214_100000209966 [1,0,0,0,0,0|2,0,0]=3 253 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 34a_100015324214_100000721315 [1,0,0,0,0,0|2,0,0]=3 254 B16R2.2256 c1ccc(cc1)CNCc2cccnn2 2230a_100015324214_100016990269 [1,0,0,0,0,0|3,0,0]=4 255 B16R2.2256 c1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100015291786 [1,0,0,0,0,0|3,0,0]=4 256 B16R2.2256 c1ccc(cc1)CNCc2cccnn2 34a_100015324214_100016990269 [1,0,0,0,0,0|3,0,0]=4 257 B16R2.2256 c1ccc(cc1)CNCc2cnccn2 2230a_100015324214_100016995436 [1,0,0,0,0,0|3,0,0]=4 258 B16R2.2256 c1ccc(cc1)CNCc2cnccn2 270004a_100015324214_100000749867 [1,0,0,0,0,0|3,0,0]=4 259 B16R2.2256 c1ccc(cc1)CNCc2cnccn2 34a_100015324214_100016995436 [1,0,0,0,0,0|3,0,0]=4 260 B16R2.2256 c1ccc(cc1)CNCc2ncccn2 2230a_100015324214_100000703007 [1,0,0,0,0,0|3,0,0]=4 261 B16R2.2256 c1ccc(cc1)CNCc2ncccn2 270004a_100015324214_100011532527 [1,0,0,0,0,0|3,0,0]=4 262 B16R2.2256 c1ccc(cc1)CNCc2ncccn2 34a_100015324214_100000703007 [1,0,0,0,0,0|3,0,0]=4 263 B16R2.2256 c1ccc(cc1)COCc2ccccc2 34a_100000210790_100015291786 [1,0,0,0,0,0|3,0,0]=4 264 B16R2.2256 c1ccc(cc1)COCc2ccccc2 7a_100000210790_100000211182 [1,0,0,0,0,0|3,0,0]=4 265 B16R2.2256 c1ccc(cc1)COCc2ccccn2 34a_100000210790_100000721315 [1,0,0,0,0,0|2,0,0]=3 266 B16R2.2256 c1ccc(cc1)COCc2ccccn2 7a_100000210790_100000721315 [1,0,0,0,0,0|2,0,0]=3 267 B16R2.2256 c1ccc(cc1)COCc2cccnn2 34a_100000210790_100016990269 [1,0,0,0,0,0|3,0,0]=4 268 B16R2.2256 c1ccc(cc1)COCc2cccnn2 7a_100000210790_100016990269 [1,0,0,0,0,0|3,0,0]=4 269 B16R2.2256 c1ccc(cc1)COCc2cnccn2 34a_100000210790_100016995436 [1,0,0,0,0,0|3,0,0]=4 270 B16R2.2256 c1ccc(cc1)COCc2cnccn2 7a_100000210790_100016995436 [1,0,0,0,0,0|3,0,0]=4 271 B16R2.2256 c1ccc(cc1)COCc2ncccn2 34a_100000210790_100000703007 [1,0,0,0,0,0|3,0,0]=4 272 B16R2.2256 c1ccc(cc1)COCc2ncccn2 7a_100000210790_100000703007 [1,0,0,0,0,0|3,0,0]=4 273 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 62a_100000211182_100015291786 [1,0,0,0,0,0|3,0,0]=4 274 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000211182_100000721315 [1,0,0,0,0,0|2,0,0]=3 275 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000721315_100015291786 [1,0,0,0,0,0|2,0,0]=3 276 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100000211182_100016990269 [1,0,0,0,0,0|3,0,0]=4 277 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100016990269_100015291786 [1,0,0,0,0,0|3,0,0]=4 278 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100000211182_100016995436 [1,0,0,0,0,0|3,0,0]=4 279 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100016995436_100015291786 [1,0,0,0,0,0|3,0,0]=4 280 B16R2.2256 c1ccc(cc1)CSCc2ncccn2 62a_100000211182_100000703007 [1,0,0,0,0,0|3,0,0]=4 281 B16R2.2256 c1ccc(cc1)CSCc2ncccn2 62a_100000703007_100015291786 [1,0,0,0,0,0|3,0,0]=4 282 B16R2.2256 c1ccc(cc1)OCCc2ccccn2 7a_100000210340_100015183660 [1,0,0,0,0,0|2,0,0]=3 283 B16R2.2256 c1ccc(cc1)OCCc2cccnc2 7a_100000210340_200011713674 [1,0,0,0,0,0|3,0,0]=4 284 B16R2.2256 c1ccc(cc1)OCCc2ccncc2 7a_100000210340_100000723409 [1,0,0,0,0,0|3,0,0]=4 285 B16R2.2256 c1ccc(cc1)SCCc2ccccn2 62a_100000719477_100015183660 [1,0,0,0,0,0|2,0,0]=3 286 B16R2.2256 c1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000041952 [1,0,0,0,0,0|2,0,0]=3 287 B16R2.2256 c1ccc(cc1)SCCc2cccnc2 62a_100000719477_200011713674 [1,0,0,0,0,0|3,0,0]=4 288 B16R2.2256 c1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000041952 [1,0,0,0,0,0|3,0,0]=4 289 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000719477_100000723409 [1,0,0,0,0,0|3,0,0]=4 290 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000041952 [1,0,0,0,0,0|3,0,0]=4 291 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100000719477_100011218342 [1,0,0,0,0,0|3,0,0]=4 292 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000041952 [1,0,0,0,0,0|3,0,0]=4 293 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011216584_100011218342 [1,0,0,0,0,0|2,0,0]=3 294 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011218342_100011216584 [1,0,0,0,0,0|2,0,0]=3 295 B16R2.2256 c1ccc(cc1)SCSc2cccnn2 62a_100011218342_100016991348 [1,0,0,0,0,0|3,0,0]=4 296 B16R2.2256 c1ccc(cc1)SCSc2cccnn2 62a_100016991348_100011218342 [1,0,0,0,0,0|3,0,0]=4 297 B16R2.2256 c1ccc(cc1)SCSc2ccncn2 62a_100000703185_100011218342 [1,0,0,0,0,0|3,0,0]=4 298 B16R2.2256 c1ccc(cc1)SCSc2ccncn2 62a_100011218342_100000703185 [1,0,0,0,0,0|3,0,0]=4 299 B16R2.2256 c1ccc(cc1)SCSc2cnccn2 62a_100000211759_100011218342 [1,0,0,0,0,0|3,0,0]=4 300 B16R2.2256 c1ccc(cc1)SCSc2cnccn2 62a_100011218342_100000211759 [1,0,0,0,0,0|3,0,0]=4 301 B16R2.2256 c1ccc(cc1)SCSc2ncccn2 62a_100000211032_100011218342 [1,0,0,0,0,0|3,0,0]=4 302 B16R2.2256 c1ccc(cc1)SCSc2ncccn2 62a_100011218342_100000211032 [1,0,0,0,0,0|3,0,0]=4 303 B16R2.2256 c1ccc(nc1)CCNc2cccnn2 27a_100000211156_100016991348 [1,0,0,0,0,0|2,0,0]=3 304 B16R2.2256 c1ccc(nc1)CCNc2ccncn2 27a_100000211156_100000703185 [1,0,0,0,0,0|2,0,0]=3 305 B16R2.2256 c1ccc(nc1)CCNc2cnccn2 27a_100000211156_100000211759 [1,0,0,0,0,0|2,0,0]=3 306 B16R2.2256 c1ccc(nc1)CCNc2ncccn2 27a_100000211156_100000211032 [1,0,0,0,0,0|2,0,0]=3 307 B16R2.2256 c1ccc(nc1)CCOc2cccnc2 7a_100000210849_100015183660 [1,0,0,0,0,0|3,0,0]=4 308 B16R2.2256 c1ccc(nc1)CCSc2ccccn2 62a_100011216584_100015183660 [1,0,0,0,0,0|2,0,0]=3 309 B16R2.2256 c1ccc(nc1)CCSc2ccccn2 62a_100015183660_100011216584 [1,0,0,0,0,0|2,0,0]=3 310 B16R2.2256 c1ccc(nc1)CCSc2cccnc2 62a_100000210063_100015183660 [1,0,0,0,0,0|3,0,0]=4 311 B16R2.2256 c1ccc(nc1)CCSc2cccnc2 62a_100015183660_100000210063 [1,0,0,0,0,0|3,0,0]=4 312 B16R2.2256 c1ccc(nc1)CCSc2cccnn2 62a_100015183660_100016991348 [1,0,0,0,0,0|3,0,0]=4 313 B16R2.2256 c1ccc(nc1)CCSc2cccnn2 62a_100016991348_100015183660 [1,0,0,0,0,0|3,0,0]=4 314 B16R2.2256 c1ccc(nc1)CCSc2ccncc2 62a_100000728582_100015183660 [1,0,0,0,0,0|3,0,0]=4 315 B16R2.2256 c1ccc(nc1)CCSc2ccncc2 62a_100015183660_100000728582 [1,0,0,0,0,0|3,0,0]=4 316 B16R2.2256 c1ccc(nc1)CCSc2ccncn2 62a_100000703185_100015183660 [1,0,0,0,0,0|3,0,0]=4 317 B16R2.2256 c1ccc(nc1)CCSc2ccncn2 62a_100015183660_100000703185 [1,0,0,0,0,0|3,0,0]=4 318 B16R2.2256 c1ccc(nc1)CCSc2cnccn2 62a_100000211759_100015183660 [1,0,0,0,0,0|3,0,0]=4 319 B16R2.2256 c1ccc(nc1)CCSc2cnccn2 62a_100015183660_100000211759 [1,0,0,0,0,0|3,0,0]=4 320 B16R2.2256 c1ccc(nc1)CCSc2ncccn2 62a_100000211032_100015183660 [1,0,0,0,0,0|3,0,0]=4 321 B16R2.2256 c1ccc(nc1)CCSc2ncccn2 62a_100015183660_100000211032 [1,0,0,0,0,0|3,0,0]=4 322 B16R2.2256 c1ccc(nc1)CNCc2ccccn2 270004a_100000210449_100000209966 [1,0,0,0,0,0|3,0,0]=4 323 B16R2.2256 c1ccc(nc1)CNCc2cccnc2 207a_100000210453_100000209966 [1,0,0,0,0,0|3,0,0]=4 324 B16R2.2256 c1ccc(nc1)CNCc2cccnc2 270004a_100000210449_100000209961 [1,0,0,0,0,0|3,0,0]=4 325 B16R2.2256 c1ccc(nc1)CNCc2cccnc2 270004a_100000210453_100000209966 [1,0,0,0,0,0|3,0,0]=4 326 B16R2.2256 c1ccc(nc1)CSCc2ccccn2 62a_100000721315_100000721315 [1,0,0,0,0,0|3,0,0]=4 327 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000721315_100000741622 [1,0,0,0,0,0|3,0,0]=4 328 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000721315 [1,0,0,0,0,0|3,0,0]=4 329 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100000721315_100015193705 [1,0,0,0,0,0|3,0,0]=4 330 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100015193705_100000721315 [1,0,0,0,0,0|3,0,0]=4 331 B16R2.2256 c1ccc(nc1)SCCc2cccnc2 62a_100011216584_200011713674 [1,0,0,0,0,0|2,0,0]=3 332 B16R2.2256 c1ccc(nc1)SCCc2cccnc2 62a_200011713674_100011216584 [1,0,0,0,0,0|2,0,0]=3 333 B16R2.2256 c1ccc(nc1)SCCc2ccncc2 62a_100000723409_100011216584 [1,0,0,0,0,0|2,0,0]=3 334 B16R2.2256 c1ccc(nc1)SCCc2ccncc2 62a_100011216584_100000723409 [1,0,0,0,0,0|2,0,0]=3 335 B16R2.2256 c1cnc(cn1)CCNc2cnccn2 27a_100000723456_100000211759 [1,0,0,0,0,0|3,0,0]=4 336 B16R2.2256 c1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000211032 [1,0,0,0,0,0|2,0,0]=3 337 B16R2.2256 c1cnc(nc1)NCCc2ccncc2 27a_100000742849_100000211032 [1,0,0,0,0,0|2,0,0]=3 338 B16R2.2256 c1cnc(nc1)NCCc2cnccn2 27a_100000723456_100000211032 [1,0,0,0,0,0|3,0,0]=4 339 B16R2.2256 c1cnc(nc1)SCCc2cccnc2 62a_100000211032_200011713674 [1,0,0,0,0,0|3,0,0]=4 340 B16R2.2256 c1cnc(nc1)SCCc2cccnc2 62a_200011713674_100000211032 [1,0,0,0,0,0|3,0,0]=4 341 B16R2.2256 c1cnc(nc1)SCCc2ccncc2 62a_100000211032_100000723409 [1,0,0,0,0,0|3,0,0]=4 342 B16R2.2256 c1cnc(nc1)SCCc2ccncc2 62a_100000723409_100000211032 [1,0,0,0,0,0|3,0,0]=4 343 B16R2.2256 c1cncc(c1)CCNc2cccnn2 27a_100000736294_100016991348 [1,0,0,0,0,0|2,0,0]=3 344 B16R2.2256 c1cncc(c1)CCNc2ccncn2 27a_100000736294_100000703185 [1,0,0,0,0,0|2,0,0]=3 345 B16R2.2256 c1cncc(c1)CCNc2cnccn2 27a_100000736294_100000211759 [1,0,0,0,0,0|2,0,0]=3 346 B16R2.2256 c1cncc(c1)CCSc2cccnn2 62a_100016991348_200011713674 [1,0,0,0,0,0|3,0,0]=4 347 B16R2.2256 c1cncc(c1)CCSc2cccnn2 62a_200011713674_100016991348 [1,0,0,0,0,0|3,0,0]=4 348 B16R2.2256 c1cncc(c1)CCSc2ccncn2 62a_100000703185_200011713674 [1,0,0,0,0,0|3,0,0]=4 349 B16R2.2256 c1cncc(c1)CCSc2ccncn2 62a_200011713674_100000703185 [1,0,0,0,0,0|3,0,0]=4 350 B16R2.2256 c1cncc(c1)CCSc2cnccn2 62a_100000211759_200011713674 [1,0,0,0,0,0|3,0,0]=4 351 B16R2.2256 c1cncc(c1)CCSc2cnccn2 62a_200011713674_100000211759 [1,0,0,0,0,0|3,0,0]=4 352 B16R2.2256 c1cnnc(c1)NCCc2ccncc2 27a_100000742849_100016991348 [1,0,0,0,0,0|2,0,0]=3 353 B16R2.2256 c1cnnc(c1)NCCc2cnccn2 27a_100000723456_100016991348 [1,0,0,0,0,0|3,0,0]=4 354 B16R2.2256 c1cnnc(c1)SCCc2ccncc2 62a_100000723409_100016991348 [1,0,0,0,0,0|3,0,0]=4 355 B16R2.2256 c1cnnc(c1)SCCc2ccncc2 62a_100016991348_100000723409 [1,0,0,0,0,0|3,0,0]=4 356 B18R2.253 CC(=NNc1ccccn1)c2ccc(cc2)Br 4a_100000183288_100000185794 [0,1,0,0,0,0|2,0,1]=4 357 B18R2.253 CC(=NNc1ccccn1)c2ccc(cc2)C 4a_100000183288_100000185793 [0,1,0,0,0,0|2,0,1]=4 358 B18R2.253 CC(=NNc1ccccn1)c2ccc(cc2)Cl 4a_100000183288_100000185797 [0,1,0,0,0,0|2,0,1]=4 359 B18R2.253 CC(=NNc1ccccn1)c2ccc(cc2)F 4a_100000183288_100000185800 [0,1,0,0,0,0|2,0,1]=4 360 B18R2.253 CC(=NNc1ccccn1)c2ccc(cc2)I 4a_100000183288_100000185465 [0,1,0,0,0,0|2,0,1]=4 361 B18R2.253 CC(=NNc1ccccn1)c2ccc(cc2)O 4a_100000183288_100000185113 [0,1,0,0,0,0|2,0,1]=4 362 B18R2.253 CC(CNc1cccnn1)c2ccc(cc2)O 27a_200015188644_100016991348 [0,1,0,0,0,0|2,0,0]=3 363 B18R2.253 CC(CNc1ccncn1)c2ccc(cc2)O 27a_200015188644_100000703185 [0,1,0,0,0,0|2,0,0]=3 364 B18R2.253 CC(CNc1cnccn1)c2ccc(cc2)O 27a_200015188644_100000211759 [0,1,0,0,0,0|2,0,0]=3 365 B18R2.253 CC(CNc1ncccn1)c2ccc(cc2)O 27a_200015188644_100000211032 [0,1,0,0,0,0|2,0,0]=3 366 B18R2.253 CC(OCc1ccccn1)c2ccc(cc2)Br 34a_100000745893_100000721315 [0,1,0,0,0,0|3,0,0]=4 367 B18R2.253 CC(OCc1ccccn1)c2ccc(cc2)Br 7a_100000745893_100000721315 [0,1,0,0,0,0|3,0,0]=4 368 B18R2.253 CC(OCc1ccccn1)c2ccc(cc2)F 34a_100000181323_100000721315 [0,1,0,0,0,0|3,0,0]=4 369 B18R2.253 CC(OCc1ccccn1)c2ccc(cc2)F 7a_100000181323_100000721315 [0,1,0,0,0,0|3,0,0]=4 370 B18R2.253 CC(OCc1ccccn1)c2ccc(cc2)N 34a_100011216399_100000721315 [0,1,0,0,0,0|3,0,0]=4 371 B18R2.253 CC(SCc1ccccn1)c2ccc(cc2)Br 62a_100000721315_100000755118 [0,1,0,0,0,0|3,0,0]=4 372 B18R2.253 CC(SCc1ccccn1)c2ccc(cc2)Br 62a_100000755118_100000721315 [0,1,0,0,0,0|3,0,0]=4 373 B18R2.253 CC(SCc1ccccn1)c2ccc(cc2)Cl 62a_100000684792_100000721315 [0,1,0,0,0,0|3,0,0]=4 374 B18R2.253 CC(SCc1ccccn1)c2ccc(cc2)Cl 62a_100000721315_100000684792 [0,1,0,0,0,0|3,0,0]=4 375 B18R2.253 CC(SCc1ccccn1)c2ccc(cc2)F 62a_100000721315_100000743420 [0,1,0,0,0,0|3,0,0]=4 376 B18R2.253 CC(SCc1ccccn1)c2ccc(cc2)F 62a_100000743420_100000721315 [0,1,0,0,0,0|3,0,0]=4 377 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)Br 2230a_100000219623_100015183660 [0,1,0,0,0,0|3,0,0]=4 378 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)Br 269982a_100000219623_100015183660 [0,1,0,0,0,0|3,0,0]=4 379 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)Cl 2230a_100020629279_100015183660 [0,1,0,0,0,0|3,0,0]=4 380 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)Cl 269982a_100020629279_100015183660 [0,1,0,0,0,0|3,0,0]=4 381 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)F 2230a_100000219829_100015183660 [0,1,0,0,0,0|3,0,0]=4 382 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)F 269982a_100000219829_100015183660 [0,1,0,0,0,0|3,0,0]=4 383 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)I 2230a_100000743151_100015183660 [0,1,0,0,0,0|3,0,0]=4 384 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)I 269982a_100000743151_100015183660 [0,1,0,0,0,0|3,0,0]=4 385 B18R2.253 CN(CCc1ccccn1)c2ccc(cc2)O 269982a_100000182112_100015183660 [0,1,0,0,0,0|3,0,0]=4 386 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Br 207a_100000720352_100000209966 [0,1,0,0,0,0|3,0,0]=4 387 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Br 2230a_100000720352_100000721315 [0,1,0,0,0,0|3,0,0]=4 388 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Br 270004a_100000720352_100000209966 [0,1,0,0,0,0|3,0,0]=4 389 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 207a_100015205461_100000209966 [0,1,0,0,0,0|3,0,0]=4 390 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 2230a_100015205461_100000721315 [0,1,0,0,0,0|3,0,0]=4 391 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 270004a_100015205461_100000209966 [0,1,0,0,0,0|3,0,0]=4 392 B18R2.253 C[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 34a_100015205461_100000721315 [0,1,0,0,0,0|3,0,0]=4 393 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)F 207a_100025705893_100000209966 [0,1,0,0,0,0|3,0,0]=4 394 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)F 2230a_100025705893_100000721315 [0,1,0,0,0,0|3,0,0]=4 395 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)F 270004a_100025705893_100000209966 [0,1,0,0,0,0|3,0,0]=4 396 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)F 34a_100025705893_100000721315 [0,1,0,0,0,0|3,0,0]=4 397 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)I 207a_100000753911_100000209966 [0,1,0,0,0,0|3,0,0]=4 398 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)I 2230a_100000753911_100000721315 [0,1,0,0,0,0|3,0,0]=4 399 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)I 270004a_100000753911_100000209966 [0,1,0,0,0,0|3,0,0]=4 400 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)O 2230a_100161106496_100000721315 [0,1,0,0,0,0|3,0,0]=4 401 B18R2.253 C[C@H](NCc1ccccn1)c2ccc(cc2)O 270004a_100161106496_100000209966 [0,1,0,0,0,0|3,0,0]=4 402 B18R2.253 C[C@H](OCc1ccccn1)c2ccc(cc2)Cl 34a_100011852131_100000721315 [0,1,0,0,0,0|3,0,0]=4 403 B18R2.253 C[C@H](OCc1ccccn1)c2ccc(cc2)Cl 7a_100011852131_100000721315 [0,1,0,0,0,0|3,0,0]=4 404 B18R2.253 Cc1ccc(cc1)C(=O)CCc2ccccn2 1458a_100000188618_100015183660 [0,1,0,0,0,0|1,0,2]=4 405 B18R2.253 Cc1ccc(cc1)C(=O)CNc2ccccc2 34a_100000106764_100000211441 [0,1,0,0,0,0|1,0,2]=4 406 B18R2.253 Cc1ccc(cc1)C(=O)CSc2ccccn2 62a_100000211441_100011216584 [0,1,0,0,0,0|1,0,2]=4 407 B18R2.253 Cc1ccc(cc1)C(=O)CSc2ccccn2 62a_100011216584_100000211441 [0,1,0,0,0,0|1,0,2]=4 408 B18R2.253 Cc1ccc(cc1)C(=O)NNc2ccccn2 22a_100000183288_100000188618 [0,1,0,0,0,0|1,0,2]=4 409 B18R2.253 Cc1ccc(cc1)C(C)SCc2ccccn2 62a_100000721315_100011261388 [0,1,0,0,0,0|3,0,0]=4 410 B18R2.253 Cc1ccc(cc1)C(C)SCc2ccccn2 62a_100011261388_100000721315 [0,1,0,0,0,0|3,0,0]=4 411 B18R2.253 Cc1ccc(cc1)C(O)CNc2cccnn2 27a_200020610344_100016991348 [0,1,0,0,0,0|1,0,0]=2 412 B18R2.253 Cc1ccc(cc1)C(O)CNc2ccncn2 27a_200020610344_100000703185 [0,1,0,0,0,0|1,0,0]=2 413 B18R2.253 Cc1ccc(cc1)C(O)CNc2cnccn2 27a_200020610344_100000211759 [0,1,0,0,0,0|1,0,0]=2 414 B18R2.253 Cc1ccc(cc1)C(O)CNc2ncccn2 27a_200020610344_100000211032 [0,1,0,0,0,0|1,0,0]=2 415 B18R2.253 Cc1ccc(cc1)N(C)CCc2ccccn2 2230a_100000219977_100015183660 [0,1,0,0,0,0|3,0,0]=4 416 B18R2.253 Cc1ccc(cc1)N(C)CCc2ccccn2 269982a_100000219977_100015183660 [0,1,0,0,0,0|3,0,0]=4 417 B18R2.253 Cc1ccc(cc1)[C@@H](C)NCc2ccccn2 207a_100016988085_100000209966 [0,1,0,0,0,0|3,0,0]=4 418 B18R2.253 Cc1ccc(cc1)[C@@H](C)NCc2ccccn2 2230a_100016988085_100000721315 [0,1,0,0,0,0|3,0,0]=4 419 B18R2.253 Cc1ccc(cc1)[C@@H](C)NCc2ccccn2 270004a_100016988085_100000209966 [0,1,0,0,0,0|3,0,0]=4 420 B18R2.253 Cc1ccc(cc1)[C@@H](C)NCc2ccccn2 34a_100016988085_100000721315 [0,1,0,0,0,0|3,0,0]=4 421 B18R2.253 Cc1ccc(cc1)[C@@H](C)OCc2ccccn2 34a_100000690690_100000721315 [0,1,0,0,0,0|3,0,0]=4 422 B18R2.253 Cc1ccc(cc1)[C@@H](C)OCc2ccccn2 7a_100000690690_100000721315 [0,1,0,0,0,0|3,0,0]=4 423 B18R2.253 O=C(CCc1ccccn1)c2ccc(cc2)Br 1458a_100000185839_100015183660 [0,1,0,0,0,0|1,0,2]=4 424 B18R2.253 O=C(CCc1ccccn1)c2ccc(cc2)Cl 1458a_100000210187_100015183660 [0,1,0,0,0,0|1,0,2]=4 425 B18R2.253 O=C(CCc1ccccn1)c2ccc(cc2)F 1458a_100000187176_100015183660 [0,1,0,0,0,0|1,0,2]=4 426 B18R2.253 O=C(CCc1ccccn1)c2ccc(cc2)I 1458a_100000187904_100015183660 [0,1,0,0,0,0|1,0,2]=4 427 B18R2.253 O=C(CCc1ccccn1)c2ccc(cc2)O 1458a_100000212099_100015183660 [0,1,0,0,0,0|1,0,2]=4 428 B18R2.253 O=C(CNc1ccccc1)c2ccc(cc2)Br 34a_100000106764_100000188085 [0,1,0,0,0,0|1,0,2]=4 429 B18R2.253 O=C(CNc1ccccc1)c2ccc(cc2)I 34a_100000106764_100011216261 [0,1,0,0,0,0|1,0,2]=4 430 B18R2.253 O=C(CNc1ccccc1)c2ccc(cc2)O 34a_100000106764_100009814261 [0,1,0,0,0,0|1,0,2]=4 431 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)Br 62a_100000188085_100011216584 [0,1,0,0,0,0|1,0,2]=4 432 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)Cl 62a_100000211071_100011216584 [0,1,0,0,0,0|1,0,2]=4 433 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)Cl 62a_100011216584_100000211071 [0,1,0,0,0,0|1,0,2]=4 434 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)F 62a_100000211279_100011216584 [0,1,0,0,0,0|1,0,2]=4 435 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)F 62a_100011216584_100000211279 [0,1,0,0,0,0|1,0,2]=4 436 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)I 62a_100011216261_100011216584 [0,1,0,0,0,0|1,0,2]=4 437 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)I 62a_100011216584_100011216261 [0,1,0,0,0,0|1,0,2]=4 438 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)O 271570a_203496583355_200000257358 [0,1,0,0,0,0|1,0,2]=4 439 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)O 62a_100009814261_100011216584 [0,1,0,0,0,0|1,0,2]=4 440 B18R2.253 O=C(CSc1ccccn1)c2ccc(cc2)O 62a_100011216584_100009814261 [0,1,0,0,0,0|1,0,2]=4 441 B18R2.253 O=C(NNc1ccccn1)c2ccc(cc2)Br 22a_100000183288_100000185839 [0,1,0,0,0,0|1,0,2]=4 442 B18R2.253 O=C(NNc1ccccn1)c2ccc(cc2)Cl 22a_100000183288_100000210187 [0,1,0,0,0,0|1,0,2]=4 443 B18R2.253 O=C(NNc1ccccn1)c2ccc(cc2)F 22a_100000183288_100000187176 [0,1,0,0,0,0|1,0,2]=4 444 B18R2.253 O=C(NNc1ccccn1)c2ccc(cc2)I 22a_100000183288_100000187904 [0,1,0,0,0,0|1,0,2]=4 445 B18R2.253 O=C(NNc1ccccn1)c2ccc(cc2)O 22a_100000183288_100000212099 [0,1,0,0,0,0|1,0,2]=4 446 B18R2.253 OC(CNc1ccccc1)c2ccc(cc2)Cl 34a_100000106764_200011996143 [0,1,0,0,0,0|1,0,0]=2 447 B18R2.253 OC(CNc1cccnn1)c2ccc(cc2)Br 27a_100020626992_100016991348 [0,1,0,0,0,0|1,0,0]=2 448 B18R2.253 OC(CNc1cccnn1)c2ccc(cc2)Cl 27a_100000736658_100016991348 [0,1,0,0,0,0|1,0,0]=2 449 B18R2.253 OC(CNc1ccncn1)c2ccc(cc2)Br 27a_100020626992_100000703185 [0,1,0,0,0,0|1,0,0]=2 450 B18R2.253 OC(CNc1ccncn1)c2ccc(cc2)Cl 27a_100000736658_100000703185 [0,1,0,0,0,0|1,0,0]=2 451 B18R2.253 OC(CNc1cnccn1)c2ccc(cc2)Br 27a_100020626992_100000211759 [0,1,0,0,0,0|1,0,0]=2 452 B18R2.253 OC(CNc1cnccn1)c2ccc(cc2)Cl 27a_100000736658_100000211759 [0,1,0,0,0,0|1,0,0]=2 453 B18R2.253 OC(CNc1ncccn1)c2ccc(cc2)Br 27a_100020626992_100000211032 [0,1,0,0,0,0|1,0,0]=2 454 B18R2.253 OC(CNc1ncccn1)c2ccc(cc2)Cl 27a_100000736658_100000211032 [0,1,0,0,0,0|1,0,0]=2 455 B18R2.253 OC(COc1ccccc1)c2ccc(cc2)Cl 34a_100000210340_200011996143 [0,1,0,0,0,0|2,0,0]=3 456 B18R2.253 OC(COc1ccccc1)c2ccc(cc2)Cl 7a_100000210340_200011996143 [0,1,0,0,0,0|2,0,0]=3 457 B18R2.253 OC(COc1cccnc1)c2ccc(cc2)Cl 34a_100000210849_200011996143 [0,1,0,0,0,0|3,0,0]=4 458 B18R2.253 OC(COc1cccnc1)c2ccc(cc2)Cl 7a_100000210849_200011996143 [0,1,0,0,0,0|3,0,0]=4 459 B18R2.253 OC(COc1ccncc1)c2ccc(cc2)Cl 34a_100000212176_200011996143 [0,1,0,0,0,0|3,0,0]=4 460 B18R2.253 OC(CSc1ccccc1)c2ccc(cc2)Cl 62a_100000719477_200011996143 [0,1,0,0,0,0|2,0,0]=3 461 B18R2.253 OC(CSc1ccccc1)c2ccc(cc2)Cl 62a_200011996143_100000041952 [0,1,0,0,0,0|2,0,0]=3 462 B18R2.253 OC(CSc1ccccn1)c2ccc(cc2)Cl 62a_100011216584_200011996143 [0,1,0,0,0,0|1,0,0]=2 463 B18R2.253 OC(CSc1ccccn1)c2ccc(cc2)Cl 62a_200011996143_100011216584 [0,1,0,0,0,0|1,0,0]=2 464 B18R2.253 OC(CSc1cccnc1)c2ccc(cc2)Cl 62a_100000210063_200011996143 [0,1,0,0,0,0|3,0,0]=4 465 B18R2.253 OC(CSc1cccnc1)c2ccc(cc2)Cl 62a_200011996143_100000210063 [0,1,0,0,0,0|3,0,0]=4 466 B18R2.253 OC(CSc1cccnn1)c2ccc(cc2)Cl 62a_100016991348_200011996143 [0,1,0,0,0,0|2,0,0]=3 467 B18R2.253 OC(CSc1cccnn1)c2ccc(cc2)Cl 62a_200011996143_100016991348 [0,1,0,0,0,0|2,0,0]=3 468 B18R2.253 OC(CSc1ccncc1)c2ccc(cc2)Cl 62a_100000728582_200011996143 [0,1,0,0,0,0|3,0,0]=4 469 B18R2.253 OC(CSc1ccncc1)c2ccc(cc2)Cl 62a_200011996143_100000728582 [0,1,0,0,0,0|3,0,0]=4 470 B18R2.253 OC(CSc1ccncn1)c2ccc(cc2)Cl 62a_100000703185_200011996143 [0,1,0,0,0,0|2,0,0]=3 471 B18R2.253 OC(CSc1ccncn1)c2ccc(cc2)Cl 62a_200011996143_100000703185 [0,1,0,0,0,0|2,0,0]=3 472 B18R2.253 OC(CSc1cnccn1)c2ccc(cc2)Cl 62a_100000211759_200011996143 [0,1,0,0,0,0|2,0,0]=3 473 B18R2.253 OC(CSc1cnccn1)c2ccc(cc2)Cl 62a_200011996143_100000211759 [0,1,0,0,0,0|2,0,0]=3 474 B18R2.253 OC(CSc1ncccn1)c2ccc(cc2)Cl 62a_100000211032_200011996143 [0,1,0,0,0,0|2,0,0]=3 475 B18R2.253 OC(CSc1ncccn1)c2ccc(cc2)Cl 62a_200011996143_100000211032 [0,1,0,0,0,0|2,0,0]=3 476 B18R2.253 O[C@@H](CNc1ccccc1)c2ccc(cc2)F 34a_100000106764_100000720402 [0,1,0,0,0,0|1,0,0]=2 477 B18R2.253 O[C@@H](COc1ccccc1)c2ccc(cc2)F 34a_100000210340_100000720402 [0,1,0,0,0,0|2,0,0]=3 478 B18R2.253 O[C@@H](COc1ccccc1)c2ccc(cc2)F 7a_100000210340_100000720402 [0,1,0,0,0,0|2,0,0]=3 479 B18R2.253 O[C@@H](COc1cccnc1)c2ccc(cc2)F 34a_100000210849_100000720402 [0,1,0,0,0,0|3,0,0]=4 480 B18R2.253 O[C@@H](COc1cccnc1)c2ccc(cc2)F 7a_100000210849_100000720402 [0,1,0,0,0,0|3,0,0]=4 481 B18R2.253 O[C@@H](COc1ccncc1)c2ccc(cc2)F 34a_100000212176_100000720402 [0,1,0,0,0,0|3,0,0]=4 482 B18R2.253 O[C@@H](CSc1ccccc1)c2ccc(cc2)F 62a_100000719477_100000720402 [0,1,0,0,0,0|2,0,0]=3 483 B18R2.253 O[C@@H](CSc1ccccc1)c2ccc(cc2)F 62a_100000720402_100000041952 [0,1,0,0,0,0|2,0,0]=3 484 B18R2.253 O[C@@H](CSc1ccccn1)c2ccc(cc2)F 62a_100000720402_100011216584 [0,1,0,0,0,0|1,0,0]=2 485 B18R2.253 O[C@@H](CSc1ccccn1)c2ccc(cc2)F 62a_100011216584_100000720402 [0,1,0,0,0,0|1,0,0]=2 486 B18R2.253 O[C@@H](CSc1cccnc1)c2ccc(cc2)F 62a_100000210063_100000720402 [0,1,0,0,0,0|3,0,0]=4 487 B18R2.253 O[C@@H](CSc1cccnc1)c2ccc(cc2)F 62a_100000720402_100000210063 [0,1,0,0,0,0|3,0,0]=4 488 B18R2.253 O[C@@H](CSc1cccnn1)c2ccc(cc2)F 62a_100000720402_100016991348 [0,1,0,0,0,0|2,0,0]=3 489 B18R2.253 O[C@@H](CSc1cccnn1)c2ccc(cc2)F 62a_100016991348_100000720402 [0,1,0,0,0,0|2,0,0]=3 490 B18R2.253 O[C@@H](CSc1ccncc1)c2ccc(cc2)F 62a_100000720402_100000728582 [0,1,0,0,0,0|3,0,0]=4 491 B18R2.253 O[C@@H](CSc1ccncc1)c2ccc(cc2)F 62a_100000728582_100000720402 [0,1,0,0,0,0|3,0,0]=4 492 B18R2.253 O[C@@H](CSc1ccncn1)c2ccc(cc2)F 62a_100000703185_100000720402 [0,1,0,0,0,0|2,0,0]=3 493 B18R2.253 O[C@@H](CSc1ccncn1)c2ccc(cc2)F 62a_100000720402_100000703185 [0,1,0,0,0,0|2,0,0]=3 494 B18R2.253 O[C@@H](CSc1cnccn1)c2ccc(cc2)F 62a_100000211759_100000720402 [0,1,0,0,0,0|2,0,0]=3 495 B18R2.253 O[C@@H](CSc1cnccn1)c2ccc(cc2)F 62a_100000720402_100000211759 [0,1,0,0,0,0|2,0,0]=3 496 B18R2.253 O[C@@H](CSc1ncccn1)c2ccc(cc2)F 62a_100000211032_100000720402 [0,1,0,0,0,0|2,0,0]=3 497 B18R2.253 O[C@@H](CSc1ncccn1)c2ccc(cc2)F 62a_100000720402_100000211032 [0,1,0,0,0,0|2,0,0]=3 498 B18R2.253 Oc1ccc(cc1)C(O)CNc2cccnn2 27a_100000067596_100016991348 [0,1,0,0,0,0|1,0,0]=2 499 B18R2.253 Oc1ccc(cc1)C(O)CNc2ccncn2 27a_100000067596_100000703185 [0,1,0,0,0,0|1,0,0]=2 500 B18R2.253 Oc1ccc(cc1)C(O)CNc2cnccn2 27a_100000067596_100000211759 [0,1,0,0,0,0|1,0,0]=2 501 B18R2.253 Oc1ccc(cc1)C(O)CNc2ncccn2 27a_100000067596_100000211032 [0,1,0,0,0,0|1,0,0]=2 502 B18R2.253 [2H]C(OCc1ccccn1)c2ccc(cc2)F 34a_217856618577_100000721315 [0,1,0,0,0,0|3,0,0]=4 503 B18R2.253 [2H]C(OCc1ccccn1)c2ccc(cc2)F 7a_217856618577_100000721315 [0,1,0,0,0,0|3,0,0]=4 504 B18R2.257 CC(=NNc1ccc(cn1)Br)c2ccccc2 4a_100000750576_100000185851 [0,1,0,0,0,0|2,0,1]=4 505 B18R2.257 CC(=NNc1ccc(cn1)C)c2ccccc2 4a_100000746693_100000185851 [0,1,0,0,0,0|2,0,1]=4 506 B18R2.257 CC(=NNc1ccc(cn1)Cl)c2ccccc2 4a_100011206499_100000185851 [0,1,0,0,0,0|2,0,1]=4 507 B18R2.257 CC(=NNc1ccc(cn1)F)c2ccccc2 4a_100000753838_100000185851 [0,1,0,0,0,0|2,0,1]=4 508 B18R2.257 CC(=NNc1ccc(cn1)I)c2ccccc2 4a_100010221006_100000185851 [0,1,0,0,0,0|2,0,1]=4 509 B18R2.257 CC(CNc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000756946 [0,1,0,0,0,0|2,0,0]=3 510 B18R2.257 CC(CNc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000756946 [0,1,0,0,0,0|2,0,0]=3 511 B18R2.257 CC(CNc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000756946 [0,1,0,0,0,0|2,0,0]=3 512 B18R2.257 CC(CNc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000756946 [0,1,0,0,0,0|2,0,0]=3 513 B18R2.257 CC(CNc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000756946 [0,1,0,0,0,0|2,0,0]=3 514 B18R2.257 CC(CNc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000756946 [0,1,0,0,0,0|2,0,0]=3 515 B18R2.257 CC(CNc1ccc(cc1)O)c2ccccc2 34a_100000185829_100000756946 [0,1,0,0,0,0|2,0,0]=3 516 B18R2.257 CC(CNc1ccc(cn1)Br)c2ccccc2 27a_100000701038_100000686858 [0,1,0,0,0,0|1,0,0]=2 517 B18R2.257 CC(CNc1cnc(cn1)Br)c2ccccc2 27a_100000701038_100010187541 [0,1,0,0,0,0|2,0,0]=3 518 B18R2.257 CC(CNc1cnc(cn1)F)c2ccccc2 27a_100000701038_100009856528 [0,1,0,0,0,0|2,0,0]=3 519 B18R2.257 CC(CNc1cnc(nn1)N)c2ccccc2 27a_100000701038_100000691435 [0,1,0,0,0,0|3,0,0]=4 520 B18R2.257 CC(CNc1ncc(cn1)Br)c2ccccc2 27a_100000701038_100000690281 [0,1,0,0,0,0|2,0,0]=3 521 B18R2.257 CC(CNc1ncc(cn1)Cl)c2ccccc2 27a_100000701038_100011356929 [0,1,0,0,0,0|2,0,0]=3 522 B18R2.257 CC(CNc1ncc(cn1)F)c2ccccc2 27a_100000701038_100000685220 [0,1,0,0,0,0|2,0,0]=3 523 B18R2.257 CC(COc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100000756946 [0,1,0,0,0,0|3,0,0]=4 524 B18R2.257 CC(COc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000756946 [0,1,0,0,0,0|3,0,0]=4 525 B18R2.257 CC(COc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100000756946 [0,1,0,0,0,0|3,0,0]=4 526 B18R2.257 CC(COc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000756946 [0,1,0,0,0,0|3,0,0]=4 527 B18R2.257 CC(COc1ccc(cc1)F)c2ccccc2 34a_100000210339_100000756946 [0,1,0,0,0,0|3,0,0]=4 528 B18R2.257 CC(COc1ccc(cc1)I)c2ccccc2 34a_100000212066_100000756946 [0,1,0,0,0,0|3,0,0]=4 529 B18R2.257 CC(COc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000756946 [0,1,0,0,0,0|3,0,0]=4 530 B18R2.257 CC(COc1ccc(cc1)N)c2ccccc2 34a_100000185829_100000756946 [0,1,0,0,0,0|3,0,0]=4 531 B18R2.257 CC(COc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100000756946 [0,1,0,0,0,0|2,0,0]=3 532 B18R2.257 CC(COc1ccc(cn1)F)c2ccccc2 34a_100000742473_100000756946 [0,1,0,0,0,0|2,0,0]=3 533 B18R2.257 CC(COc1ccc(cn1)N)c2ccccc2 34a_100000729260_100000756946 [0,1,0,0,0,0|2,0,0]=3 534 B18R2.257 CC(COc1cnc(cn1)Br)c2ccccc2 34a_100011934580_100000756946 [0,1,0,0,0,0|3,0,0]=4 535 B18R2.257 CC(COc1cnc(cn1)Cl)c2ccccc2 34a_100015839800_100000756946 [0,1,0,0,0,0|3,0,0]=4 536 B18R2.257 CC(COc1ncc(cn1)F)c2ccccc2 34a_100011934040_100000756946 [0,1,0,0,0,0|3,0,0]=4 537 B18R2.257 CC(CSc1ccc(=O)[nH]n1)c2ccccc2 62a_100000756946_100009820020 [0,1,0,0,0,0|3,0,0]=4 538 B18R2.257 CC(CSc1ccc(=O)[nH]n1)c2ccccc2 62a_100009820020_100000756946 [0,1,0,0,0,0|3,0,0]=4 539 B18R2.257 CC(CSc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000756946 [0,1,0,0,0,0|3,0,0]=4 540 B18R2.257 CC(CSc1ccc(cc1)F)c2ccccc2 62a_100000756946_100000211213 [0,1,0,0,0,0|3,0,0]=4 541 B18R2.257 CC(CSc1ccc(cc1)N)c2ccccc2 62a_100000185761_100000756946 [0,1,0,0,0,0|3,0,0]=4 542 B18R2.257 CC(CSc1ccc(cc1)N)c2ccccc2 62a_100000756946_100000185761 [0,1,0,0,0,0|3,0,0]=4 543 B18R2.257 CC(CSc1ccc(cc1)O)c2ccccc2 62a_100000756946_100000185759 [0,1,0,0,0,0|3,0,0]=4 544 B18R2.257 CC(CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000756946 [0,1,0,0,0,0|2,0,0]=3 545 B18R2.257 CC(CSc1ccc(cn1)Br)c2ccccc2 62a_100000756946_100000686858 [0,1,0,0,0,0|2,0,0]=3 546 B18R2.257 CC(CSc1ccc(cn1)Cl)c2ccccc2 62a_100000756946_100011356976 [0,1,0,0,0,0|2,0,0]=3 547 B18R2.257 CC(CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000756946 [0,1,0,0,0,0|2,0,0]=3 548 B18R2.257 CC(CSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000756946 [0,1,0,0,0,0|2,0,0]=3 549 B18R2.257 CC(CSc1ccc(cn1)F)c2ccccc2 62a_100000756946_100000744514 [0,1,0,0,0,0|2,0,0]=3 550 B18R2.257 CC(CSc1ccc(cn1)N)c2ccccc2 62a_100000737798_100000756946 [0,1,0,0,0,0|2,0,0]=3 551 B18R2.257 CC(CSc1ccc(cn1)N)c2ccccc2 62a_100000756946_100000737798 [0,1,0,0,0,0|2,0,0]=3 552 B18R2.257 CC(CSc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000756946 [0,1,0,0,0,0|2,0,0]=3 553 B18R2.257 CC(CSc1ccc(cn1)O)c2ccccc2 62a_100000756946_100000744096 [0,1,0,0,0,0|2,0,0]=3 554 B18R2.257 CC(CSc1ccc(nn1)Cl)c2ccccc2 62a_100000068654_100000756946 [0,1,0,0,0,0|3,0,0]=4 555 B18R2.257 CC(CSc1ccc(nn1)Cl)c2ccccc2 62a_100000756946_100000068654 [0,1,0,0,0,0|3,0,0]=4 556 B18R2.257 CC(CSc1ccc(nn1)N)c2ccccc2 62a_100000756946_100010219413 [0,1,0,0,0,0|3,0,0]=4 557 B18R2.257 CC(CSc1ccc(nn1)N)c2ccccc2 62a_100010219413_100000756946 [0,1,0,0,0,0|3,0,0]=4 558 B18R2.257 CC(CSc1cnc(cn1)Br)c2ccccc2 62a_100000756946_100010187541 [0,1,0,0,0,0|3,0,0]=4 559 B18R2.257 CC(CSc1cnc(cn1)Br)c2ccccc2 62a_100010187541_100000756946 [0,1,0,0,0,0|3,0,0]=4 560 B18R2.257 CC(CSc1cnc(cn1)Cl)c2ccccc2 62a_100000756946_100010214907 [0,1,0,0,0,0|3,0,0]=4 561 B18R2.257 CC(CSc1cnc(cn1)Cl)c2ccccc2 62a_100010214907_100000756946 [0,1,0,0,0,0|3,0,0]=4 562 B18R2.257 CC(CSc1cnc(cn1)F)c2ccccc2 62a_100000756946_100009856528 [0,1,0,0,0,0|3,0,0]=4 563 B18R2.257 CC(CSc1cnc(cn1)F)c2ccccc2 62a_100009856528_100000756946 [0,1,0,0,0,0|3,0,0]=4 564 B18R2.257 CC(CSc1cnc(cn1)N)c2ccccc2 62a_100000744751_100000756946 [0,1,0,0,0,0|3,0,0]=4 565 B18R2.257 CC(CSc1cnc(cn1)N)c2ccccc2 62a_100000756946_100000744751 [0,1,0,0,0,0|3,0,0]=4 566 B18R2.257 CC(CSc1cnc(cn1)O)c2ccccc2 62a_100000756946_100015839800 [0,1,0,0,0,0|3,0,0]=4 567 B18R2.257 CC(CSc1cnc(cn1)O)c2ccccc2 62a_100011934580_100000756946 [0,1,0,0,0,0|3,0,0]=4 568 B18R2.257 CC(CSc1ncc(cn1)Br)c2ccccc2 62a_100000690281_100000756946 [0,1,0,0,0,0|3,0,0]=4 569 B18R2.257 CC(CSc1ncc(cn1)Br)c2ccccc2 62a_100000756946_100000690281 [0,1,0,0,0,0|3,0,0]=4 570 B18R2.257 CC(CSc1ncc(cn1)Cl)c2ccccc2 62a_100000756946_100011356929 [0,1,0,0,0,0|3,0,0]=4 571 B18R2.257 CC(CSc1ncc(cn1)Cl)c2ccccc2 62a_100011356929_100000756946 [0,1,0,0,0,0|3,0,0]=4 572 B18R2.257 CC(CSc1ncc(cn1)F)c2ccccc2 62a_100000685220_100000756946 [0,1,0,0,0,0|3,0,0]=4 573 B18R2.257 CC(CSc1ncc(cn1)F)c2ccccc2 62a_100000756946_100000685220 [0,1,0,0,0,0|3,0,0]=4 574 B18R2.257 CC(CSc1ncc(cn1)N)c2ccccc2 62a_100000068403_100000756946 [0,1,0,0,0,0|3,0,0]=4 575 B18R2.257 CC(CSc1ncc(cn1)N)c2ccccc2 62a_100000756946_100000068403 [0,1,0,0,0,0|3,0,0]=4 576 B18R2.257 CC(CSc1ncc(cn1)O)c2ccccc2 62a_100000730009_100000756946 [0,1,0,0,0,0|3,0,0]=4 577 B18R2.257 CC(CSc1ncc(cn1)O)c2ccccc2 62a_100000756946_100000092845 [0,1,0,0,0,0|3,0,0]=4 578 B18R2.257 CC(NCc1ccc(cn1)Br)c2ccccc2 34a_100015188789_100000211855 [0,1,0,0,0,0|3,0,0]=4 579 B18R2.257 CC(NCc1ccc(cn1)Cl)c2ccccc2 269862a_100000697193_100000185851 [0,1,0,0,0,0|3,0,0]=4 580 B18R2.257 CC(NCc1ccc(cn1)Cl)c2ccccc2 34a_100000697193_100000211855 [0,1,0,0,0,0|3,0,0]=4 581 B18R2.257 CC(NCc1ccc(cn1)F)c2ccccc2 34a_100020620131_100000211855 [0,1,0,0,0,0|3,0,0]=4 582 B18R2.257 CC(OCc1ccc(cn1)Br)c2ccccc2 34a_100000754261_100000211855 [0,1,0,0,0,0|3,0,0]=4 583 B18R2.257 CC(OCc1ccc(cn1)Cl)c2ccccc2 34a_100000703999_100000211855 [0,1,0,0,0,0|3,0,0]=4 584 B18R2.257 CC(OCc1ccc(cn1)F)c2ccccc2 34a_100011999454_100000211855 [0,1,0,0,0,0|3,0,0]=4 585 B18R2.257 CC(OCc1ccc(cn1)N)c2ccccc2 34a_100011998161_100000211855 [0,1,0,0,0,0|3,0,0]=4 586 B18R2.257 CC(SCc1ccc(cn1)Br)c2ccccc2 62a_100000230085_100000702658 [0,1,0,0,0,0|3,0,0]=4 587 B18R2.257 CC(SCc1ccc(cn1)Br)c2ccccc2 62a_100000702658_100000230085 [0,1,0,0,0,0|3,0,0]=4 588 B18R2.257 CC(SCc1ccc(cn1)Cl)c2ccccc2 62a_100000230085_100000697101 [0,1,0,0,0,0|3,0,0]=4 589 B18R2.257 CC(SCc1ccc(cn1)Cl)c2ccccc2 62a_100012066911_100000230085 [0,1,0,0,0,0|3,0,0]=4 590 B18R2.257 CC(SCc1ccc(cn1)F)c2ccccc2 62a_100000230085_100000703193 [0,1,0,0,0,0|3,0,0]=4 591 B18R2.257 CC(SCc1ccc(cn1)F)c2ccccc2 62a_100000703193_100000230085 [0,1,0,0,0,0|3,0,0]=4 592 B18R2.257 C[C@@H](NCc1ccc(cn1)Br)c2ccccc2 207a_100000751104_100000754260 [0,1,0,0,0,0|3,0,0]=4 593 B18R2.257 C[C@@H](NCc1ccc(cn1)Br)c2ccccc2 2230a_100000751104_100000702658 [0,1,0,0,0,0|3,0,0]=4 594 B18R2.257 C[C@@H](NCc1ccc(cn1)Br)c2ccccc2 270004a_100000751104_100000754260 [0,1,0,0,0,0|3,0,0]=4 595 B18R2.257 C[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 207a_100000751104_100011361569 [0,1,0,0,0,0|3,0,0]=4 596 B18R2.257 C[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 2230a_100000751104_100012066911 [0,1,0,0,0,0|3,0,0]=4 597 B18R2.257 C[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 270004a_100000751104_100011361569 [0,1,0,0,0,0|3,0,0]=4 598 B18R2.257 C[C@@H](NCc1ccc(cn1)F)c2ccccc2 207a_100000751104_100011934744 [0,1,0,0,0,0|3,0,0]=4 599 B18R2.257 C[C@@H](NCc1ccc(cn1)F)c2ccccc2 2230a_100000751104_100000703193 [0,1,0,0,0,0|3,0,0]=4 600 B18R2.257 C[C@@H](NCc1ccc(cn1)F)c2ccccc2 270004a_100000751104_100011934744 [0,1,0,0,0,0|3,0,0]=4 601 B18R2.257 C[C@@H](OCc1ccc(cn1)Br)c2ccccc2 34a_100000761318_100000702658 [0,1,0,0,0,0|3,0,0]=4 602 B18R2.257 C[C@@H](OCc1ccc(cn1)Br)c2ccccc2 7a_100000761318_100000702658 [0,1,0,0,0,0|3,0,0]=4 603 B18R2.257 C[C@@H](OCc1ccc(cn1)Cl)c2ccccc2 34a_100000761318_100012066911 [0,1,0,0,0,0|3,0,0]=4 604 B18R2.257 C[C@@H](OCc1ccc(cn1)Cl)c2ccccc2 7a_100000761318_100012066911 [0,1,0,0,0,0|3,0,0]=4 605 B18R2.257 C[C@@H](OCc1ccc(cn1)F)c2ccccc2 34a_100000761318_100000703193 [0,1,0,0,0,0|3,0,0]=4 606 B18R2.257 C[C@@H](OCc1ccc(cn1)F)c2ccccc2 7a_100000761318_100000703193 [0,1,0,0,0,0|3,0,0]=4 607 B18R2.257 Cc1ccc(cc1)NCC(C)c2ccccc2 34a_100000124888_100000756946 [0,1,0,0,0,0|2,0,0]=3 608 B18R2.257 Cc1ccc(cc1)NCC(O)c2ccccc2 34a_100000124888_100000185958 [0,1,0,0,0,0|1,0,0]=2 609 B18R2.257 Cc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000124888_100011933945 [0,1,0,0,0,0|1,0,0]=2 610 B18R2.257 Cc1ccc(cc1)OCC(C)c2ccccc2 34a_100000210336_100000756946 [0,1,0,0,0,0|3,0,0]=4 611 B18R2.257 Cc1ccc(cc1)OCC(C)c2ccccc2 7a_100000210336_100000756946 [0,1,0,0,0,0|3,0,0]=4 612 B18R2.257 Cc1ccc(cc1)OCC(O)c2ccccc2 34a_100000210336_100000185958 [0,1,0,0,0,0|2,0,0]=3 613 B18R2.257 Cc1ccc(cc1)OCC(O)c2ccccc2 7a_100000210336_100000185958 [0,1,0,0,0,0|2,0,0]=3 614 B18R2.257 Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000210336_100011933945 [0,1,0,0,0,0|2,0,0]=3 615 B18R2.257 Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000210336_100011933945 [0,1,0,0,0,0|2,0,0]=3 616 B18R2.257 Cc1ccc(cc1)SCC(C)c2ccccc2 62a_100000186775_100000756946 [0,1,0,0,0,0|3,0,0]=4 617 B18R2.257 Cc1ccc(cc1)SCC(C)c2ccccc2 62a_100000756946_100000186775 [0,1,0,0,0,0|3,0,0]=4 618 B18R2.257 Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000186775 [0,1,0,0,0,0|2,0,0]=3 619 B18R2.257 Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000186775_100000185958 [0,1,0,0,0,0|2,0,0]=3 620 B18R2.257 Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000186775_100011933945 [0,1,0,0,0,0|2,0,0]=3 621 B18R2.257 Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000186775 [0,1,0,0,0,0|2,0,0]=3 622 B18R2.257 Cc1ccc(cn1)OCC(O)c2ccccc2 34a_100000745506_100000185958 [0,1,0,0,0,0|3,0,0]=4 623 B18R2.257 Cc1ccc(cn1)OCC(O)c2ccccc2 7a_100000745506_100000185958 [0,1,0,0,0,0|3,0,0]=4 624 B18R2.257 Cc1ccc(cn1)OC[C@@H](O)c2ccccc2 34a_100000745506_100011933945 [0,1,0,0,0,0|3,0,0]=4 625 B18R2.257 Cc1ccc(cn1)OC[C@@H](O)c2ccccc2 7a_100000745506_100011933945 [0,1,0,0,0,0|3,0,0]=4 626 B18R2.257 Cc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000751577 [0,1,0,0,0,0|3,0,0]=4 627 B18R2.257 Cc1ccc(cn1)SCC(O)c2ccccc2 62a_100000751577_100000185958 [0,1,0,0,0,0|3,0,0]=4 628 B18R2.257 Cc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000751577_100011933945 [0,1,0,0,0,0|3,0,0]=4 629 B18R2.257 Cc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000751577 [0,1,0,0,0,0|3,0,0]=4 630 B18R2.257 Cc1ccc(nc1)CNC(C)c2ccccc2 34a_100015187455_100000211855 [0,1,0,0,0,0|3,0,0]=4 631 B18R2.257 Cc1ccc(nc1)CN[C@H](C)c2ccccc2 207a_100000751104_100000050478 [0,1,0,0,0,0|3,0,0]=4 632 B18R2.257 Cc1ccc(nc1)CN[C@H](C)c2ccccc2 2230a_100000751104_100000691093 [0,1,0,0,0,0|3,0,0]=4 633 B18R2.257 Cc1ccc(nc1)CN[C@H](C)c2ccccc2 270004a_100000751104_100000050478 [0,1,0,0,0,0|3,0,0]=4 634 B18R2.257 Cc1ccc(nc1)COC(C)c2ccccc2 34a_100012001401_100000211855 [0,1,0,0,0,0|3,0,0]=4 635 B18R2.257 Cc1ccc(nc1)CO[C@H](C)c2ccccc2 34a_100000761318_100000691093 [0,1,0,0,0,0|3,0,0]=4 636 B18R2.257 Cc1ccc(nc1)CO[C@H](C)c2ccccc2 7a_100000761318_100000691093 [0,1,0,0,0,0|3,0,0]=4 637 B18R2.257 Cc1ccc(nc1)CSC(C)c2ccccc2 62a_100000230085_100000691093 [0,1,0,0,0,0|3,0,0]=4 638 B18R2.257 Cc1ccc(nc1)CSC(C)c2ccccc2 62a_100000691093_100000230085 [0,1,0,0,0,0|3,0,0]=4 639 B18R2.257 Cc1ccc(nc1)NNC(=O)c2ccccc2 22a_100000746693_100000185807 [0,1,0,0,0,0|1,0,2]=4 640 B18R2.257 Cc1ccc(nc1)OCC(C)c2ccccc2 34a_100000759353_100000756946 [0,1,0,0,0,0|2,0,0]=3 641 B18R2.257 Cc1ccc(nc1)OCC(O)c2ccccc2 34a_100000759353_100000185958 [0,1,0,0,0,0|1,0,0]=2 642 B18R2.257 Cc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_100000759353_100011933945 [0,1,0,0,0,0|1,0,0]=2 643 B18R2.257 Cc1ccc(nc1)SCC(=O)c2ccccc2 62a_100000211460_100000754016 [0,1,0,0,0,0|1,0,2]=4 644 B18R2.257 Cc1ccc(nc1)SCC(=O)c2ccccc2 62a_100011192072_100000211460 [0,1,0,0,0,0|1,0,2]=4 645 B18R2.257 Cc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100000754016 [0,1,0,0,0,0|2,0,0]=3 646 B18R2.257 Cc1ccc(nc1)SCC(C)c2ccccc2 62a_100011192072_100000756946 [0,1,0,0,0,0|2,0,0]=3 647 B18R2.257 Cc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000754016 [0,1,0,0,0,0|1,0,0]=2 648 B18R2.257 Cc1ccc(nc1)SCC(O)c2ccccc2 62a_100011192072_100000185958 [0,1,0,0,0,0|1,0,0]=2 649 B18R2.257 Cc1ccc(nc1)SCS(=O)c2ccccc2 62a_100011192072_100000031784 [0,1,0,0,0,0|2,0,1]=4 650 B18R2.257 Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011192072_100011933945 [0,1,0,0,0,0|1,0,0]=2 651 B18R2.257 Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000754016 [0,1,0,0,0,0|1,0,0]=2 652 B18R2.257 Cc1ccc(nn1)NCC(C)c2ccccc2 27a_100000701038_100000744512 [0,1,0,0,0,0|2,0,0]=3 653 B18R2.257 Cc1ccc(nn1)NCC(O)c2ccccc2 27a_100000210709_100000744512 [0,1,0,0,0,0|1,0,0]=2 654 B18R2.257 Cc1ccc(nn1)NCC(O)c2ccccn2 27a_100000691469_100000744512 [0,1,0,0,0,0|2,0,0]=3 655 B18R2.257 Cc1ccc(nn1)NCC(O)c2cccnc2 27a_100020605170_100000744512 [0,1,0,0,0,0|2,0,0]=3 656 B18R2.257 Cc1ccc(nn1)SCC(C)c2ccccc2 62a_100000744512_100000756946 [0,1,0,0,0,0|3,0,0]=4 657 B18R2.257 Cc1ccc(nn1)SCC(C)c2ccccc2 62a_100000756946_100000744512 [0,1,0,0,0,0|3,0,0]=4 658 B18R2.257 Cc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000744512 [0,1,0,0,0,0|2,0,0]=3 659 B18R2.257 Cc1ccc(nn1)SCC(O)c2ccccc2 62a_100000744512_100000185958 [0,1,0,0,0,0|2,0,0]=3 660 B18R2.257 Cc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100000744512_100011933945 [0,1,0,0,0,0|2,0,0]=3 661 B18R2.257 Cc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744512 [0,1,0,0,0,0|2,0,0]=3 662 B18R2.257 Cc1cnc(cn1)NCC(C)c2ccccc2 27a_100000701038_100000074397 [0,1,0,0,0,0|2,0,0]=3 663 B18R2.257 Cc1cnc(cn1)NCC(O)c2ccccc2 27a_100000210709_100000074397 [0,1,0,0,0,0|1,0,0]=2 664 B18R2.257 Cc1cnc(cn1)NCC(O)c2ccccn2 27a_100000691469_100000074397 [0,1,0,0,0,0|2,0,0]=3 665 B18R2.257 Cc1cnc(cn1)NCC(O)c2cccnc2 27a_100020605170_100000074397 [0,1,0,0,0,0|2,0,0]=3 666 B18R2.257 Cc1cnc(cn1)SCC(C)c2ccccc2 62a_100000756946_100011999403 [0,1,0,0,0,0|3,0,0]=4 667 B18R2.257 Cc1cnc(cn1)SCC(C)c2ccccc2 62a_100011999403_100000756946 [0,1,0,0,0,0|3,0,0]=4 668 B18R2.257 Cc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011999403 [0,1,0,0,0,0|2,0,0]=3 669 B18R2.257 Cc1cnc(cn1)SCC(O)c2ccccc2 62a_100011999403_100000185958 [0,1,0,0,0,0|2,0,0]=3 670 B18R2.257 Cc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011999403 [0,1,0,0,0,0|2,0,0]=3 671 B18R2.257 Cc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011999403_100011933945 [0,1,0,0,0,0|2,0,0]=3 672 B18R2.257 Cc1cnc(nc1)NCC(C)c2ccccc2 27a_100000701038_100000061069 [0,1,0,0,0,0|2,0,0]=3 673 B18R2.257 Cc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000061069 [0,1,0,0,0,0|1,0,0]=2 674 B18R2.257 Cc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000061069 [0,1,0,0,0,0|2,0,0]=3 675 B18R2.257 Cc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000061069 [0,1,0,0,0,0|2,0,0]=3 676 B18R2.257 Cc1cnc(nc1)SCC(C)c2ccccc2 62a_100000061069_100000756946 [0,1,0,0,0,0|3,0,0]=4 677 B18R2.257 Cc1cnc(nc1)SCC(C)c2ccccc2 62a_100000756946_100000061069 [0,1,0,0,0,0|3,0,0]=4 678 B18R2.257 Cc1cnc(nc1)SCC(O)c2ccccc2 62a_100000061069_100000185958 [0,1,0,0,0,0|2,0,0]=3 679 B18R2.257 Cc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000061069 [0,1,0,0,0,0|2,0,0]=3 680 B18R2.257 Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000061069_100011933945 [0,1,0,0,0,0|2,0,0]=3 681 B18R2.257 Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000061069 [0,1,0,0,0,0|2,0,0]=3 682 B18R2.257 Nc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185829_100000185958 [0,1,0,0,0,0|2,0,0]=3 683 B18R2.257 Nc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185829_100011933945 [0,1,0,0,0,0|2,0,0]=3 684 B18R2.257 Nc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185761_100000185958 [0,1,0,0,0,0|2,0,0]=3 685 B18R2.257 Nc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000185761 [0,1,0,0,0,0|2,0,0]=3 686 B18R2.257 Nc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000185761_100011933945 [0,1,0,0,0,0|2,0,0]=3 687 B18R2.257 Nc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000185761 [0,1,0,0,0,0|2,0,0]=3 688 B18R2.257 Nc1ccc(cn1)OCC(O)c2ccccc2 34a_100015188713_100000185958 [0,1,0,0,0,0|3,0,0]=4 689 B18R2.257 Nc1ccc(cn1)OCC(O)c2ccccc2 7a_100015188713_100000185958 [0,1,0,0,0,0|3,0,0]=4 690 B18R2.257 Nc1ccc(cn1)OC[C@@H](O)c2ccccc2 34a_100015188713_100011933945 [0,1,0,0,0,0|3,0,0]=4 691 B18R2.257 Nc1ccc(cn1)OC[C@@H](O)c2ccccc2 7a_100015188713_100011933945 [0,1,0,0,0,0|3,0,0]=4 692 B18R2.257 Nc1ccc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000187370 [0,1,0,0,0,0|3,0,0]=4 693 B18R2.257 Nc1ccc(cn1)SCC(O)c2ccccc2 62a_100000187370_100000185958 [0,1,0,0,0,0|3,0,0]=4 694 B18R2.257 Nc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100000187370_100011933945 [0,1,0,0,0,0|3,0,0]=4 695 B18R2.257 Nc1ccc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000187370 [0,1,0,0,0,0|3,0,0]=4 696 B18R2.257 Nc1ccc(nc1)OCC(O)c2ccccc2 34a_100000729260_100000185958 [0,1,0,0,0,0|1,0,0]=2 697 B18R2.257 Nc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_100000729260_100011933945 [0,1,0,0,0,0|1,0,0]=2 698 B18R2.257 Nc1ccc(nc1)SCC(=O)c2ccccc2 62a_100000211460_100000737798 [0,1,0,0,0,0|1,0,2]=4 699 B18R2.257 Nc1ccc(nc1)SCC(=O)c2ccccc2 62a_100000737798_100000211460 [0,1,0,0,0,0|1,0,2]=4 700 B18R2.257 Nc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000737798 [0,1,0,0,0,0|1,0,0]=2 701 B18R2.257 Nc1ccc(nc1)SCC(O)c2ccccc2 62a_100000737798_100000185958 [0,1,0,0,0,0|1,0,0]=2 702 B18R2.257 Nc1ccc(nc1)SCS(=O)c2ccccc2 62a_100000737798_100000031784 [0,1,0,0,0,0|2,0,1]=4 703 B18R2.257 Nc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000737798_100011933945 [0,1,0,0,0,0|1,0,0]=2 704 B18R2.257 Nc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000737798 [0,1,0,0,0,0|1,0,0]=2 705 B18R2.257 Nc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100010219413 [0,1,0,0,0,0|2,0,0]=3 706 B18R2.257 Nc1ccc(nn1)SCC(O)c2ccccc2 62a_100010219413_100000185958 [0,1,0,0,0,0|2,0,0]=3 707 B18R2.257 Nc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100010219413_100011933945 [0,1,0,0,0,0|2,0,0]=3 708 B18R2.257 Nc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100010219413 [0,1,0,0,0,0|2,0,0]=3 709 B18R2.257 Nc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000744751 [0,1,0,0,0,0|2,0,0]=3 710 B18R2.257 Nc1cnc(cn1)SCC(O)c2ccccc2 62a_100000744751_100000185958 [0,1,0,0,0,0|2,0,0]=3 711 B18R2.257 Nc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100000744751_100011933945 [0,1,0,0,0,0|2,0,0]=3 712 B18R2.257 Nc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744751 [0,1,0,0,0,0|2,0,0]=3 713 B18R2.257 Nc1cnc(nc1)SCC(O)c2ccccc2 62a_100000068403_100000185958 [0,1,0,0,0,0|2,0,0]=3 714 B18R2.257 Nc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000068403 [0,1,0,0,0,0|2,0,0]=3 715 B18R2.257 Nc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000068403_100011933945 [0,1,0,0,0,0|2,0,0]=3 716 B18R2.257 Nc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000068403 [0,1,0,0,0,0|2,0,0]=3 717 B18R2.257 Nc1ncc(nn1)NCC(O)c2ccccc2 27a_100000210709_100000691435 [0,1,0,0,0,0|2,0,0]=3 718 B18R2.257 Nc1ncc(nn1)NCC(O)c2ccccn2 27a_100000691469_100000691435 [0,1,0,0,0,0|3,0,0]=4 719 B18R2.257 Nc1ncc(nn1)NCC(O)c2cccnc2 27a_100020605170_100000691435 [0,1,0,0,0,0|3,0,0]=4 720 B18R2.257 Nc1ncc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000691435 [0,1,0,0,0,0|3,0,0]=4 721 B18R2.257 Nc1ncc(nn1)SCC(O)c2ccccc2 62a_100000691435_100000185958 [0,1,0,0,0,0|3,0,0]=4 722 B18R2.257 Nc1ncc(nn1)SC[C@@H](O)c2ccccc2 62a_100000691435_100011933945 [0,1,0,0,0,0|3,0,0]=4 723 B18R2.257 Nc1ncc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000691435 [0,1,0,0,0,0|3,0,0]=4 724 B18R2.257 O=C(CNc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100000733483 [0,1,0,0,0,0|1,0,2]=4 725 B18R2.257 O=C(CSc1ccc(cn1)Br)c2ccccc2 62a_100000211460_100000686858 [0,1,0,0,0,0|1,0,2]=4 726 B18R2.257 O=C(CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000211460 [0,1,0,0,0,0|1,0,2]=4 727 B18R2.257 O=C(CSc1ccc(cn1)Cl)c2ccccc2 62a_100000211460_100011356976 [0,1,0,0,0,0|1,0,2]=4 728 B18R2.257 O=C(CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000211460 [0,1,0,0,0,0|1,0,2]=4 729 B18R2.257 O=C(CSc1ccc(cn1)F)c2ccccc2 62a_100000211460_100000744514 [0,1,0,0,0,0|1,0,2]=4 730 B18R2.257 O=C(CSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000211460 [0,1,0,0,0,0|1,0,2]=4 731 B18R2.257 O=C(CSc1ccc(cn1)O)c2ccccc2 62a_100000211460_100000744096 [0,1,0,0,0,0|1,0,2]=4 732 B18R2.257 O=C(CSc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000211460 [0,1,0,0,0,0|1,0,2]=4 733 B18R2.257 O=C(NNc1ccc(cn1)Br)c2ccccc2 22a_100000750576_100000185807 [0,1,0,0,0,0|1,0,2]=4 734 B18R2.257 O=C(NNc1ccc(cn1)Cl)c2ccccc2 22a_100011206499_100000185807 [0,1,0,0,0,0|1,0,2]=4 735 B18R2.257 O=C(NNc1ccc(cn1)F)c2ccccc2 22a_100000753838_100000185807 [0,1,0,0,0,0|1,0,2]=4 736 B18R2.257 O=C(NNc1ccc(cn1)I)c2ccccc2 22a_100010221006_100000185807 [0,1,0,0,0,0|1,0,2]=4 737 B18R2.257 O=C(NNc1ccc(cn1)O)c2ccccc2 271570a_203496583355_200020601297 [0,1,0,0,0,0|1,0,2]=4 738 B18R2.257 O=S(CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000031784 [0,1,0,0,0,0|2,0,1]=4 739 B18R2.257 O=S(CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000031784 [0,1,0,0,0,0|2,0,1]=4 740 B18R2.257 O=S(CSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000031784 [0,1,0,0,0,0|2,0,1]=4 741 B18R2.257 O=S(CSc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000031784 [0,1,0,0,0,0|2,0,1]=4 742 B18R2.257 O=c1ccc(c[nH]1)OCC(O)c2ccccc2 34a_100000075641_100000185958 [0,1,0,0,0,0|3,0,0]=4 743 B18R2.257 O=c1ccc(c[nH]1)OC[C@@H](O)c2ccccc2 34a_100000075641_100011933945 [0,1,0,0,0,0|3,0,0]=4 744 B18R2.257 O=c1ccc(c[nH]1)SCC(O)c2ccccc2 62a_100000185958_100000212171 [0,1,0,0,0,0|3,0,0]=4 745 B18R2.257 O=c1ccc(c[nH]1)SCC(O)c2ccccc2 62a_100000212171_100000185958 [0,1,0,0,0,0|3,0,0]=4 746 B18R2.257 O=c1ccc(c[nH]1)SC[C@@H](O)c2ccccc2 62a_100000212171_100011933945 [0,1,0,0,0,0|3,0,0]=4 747 B18R2.257 O=c1ccc(c[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000212171 [0,1,0,0,0,0|3,0,0]=4 748 B18R2.257 O=c1ccc(n[nH]1)SCC(O)c2ccccc2 62a_100000185958_100009820020 [0,1,0,0,0,0|2,0,0]=3 749 B18R2.257 O=c1ccc(n[nH]1)SCC(O)c2ccccc2 62a_100009820020_100000185958 [0,1,0,0,0,0|2,0,0]=3 750 B18R2.257 O=c1ccc(n[nH]1)SC[C@@H](O)c2ccccc2 62a_100009820020_100011933945 [0,1,0,0,0,0|2,0,0]=3 751 B18R2.257 O=c1ccc(n[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009820020 [0,1,0,0,0,0|2,0,0]=3 752 B18R2.257 OC(CNc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000185958 [0,1,0,0,0,0|1,0,0]=2 753 B18R2.257 OC(CNc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000185958 [0,1,0,0,0,0|1,0,0]=2 754 B18R2.257 OC(CNc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000185958 [0,1,0,0,0,0|1,0,0]=2 755 B18R2.257 OC(CNc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000185958 [0,1,0,0,0,0|1,0,0]=2 756 B18R2.257 OC(CNc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000185958 [0,1,0,0,0,0|1,0,0]=2 757 B18R2.257 OC(CNc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000185958 [0,1,0,0,0,0|1,0,0]=2 758 B18R2.257 OC(CNc1ccc(cn1)Br)c2ccccc2 27a_100000210709_100000686858 [0,1,0,0,0,0|0,0,0]=1 759 B18R2.257 OC(CNc1ccc(cn1)Br)c2ccccn2 27a_100000691469_100000686858 [0,1,0,0,0,0|1,0,0]=2 760 B18R2.257 OC(CNc1ccc(cn1)Br)c2cccnc2 27a_100020605170_100000686858 [0,1,0,0,0,0|1,0,0]=2 761 B18R2.257 OC(CNc1cnc(cn1)Br)c2ccccc2 27a_100000210709_100010187541 [0,1,0,0,0,0|1,0,0]=2 762 B18R2.257 OC(CNc1cnc(cn1)Br)c2ccccn2 27a_100000691469_100010187541 [0,1,0,0,0,0|2,0,0]=3 763 B18R2.257 OC(CNc1cnc(cn1)Br)c2cccnc2 27a_100020605170_100010187541 [0,1,0,0,0,0|2,0,0]=3 764 B18R2.257 OC(CNc1cnc(cn1)F)c2ccccc2 27a_100000210709_100009856528 [0,1,0,0,0,0|1,0,0]=2 765 B18R2.257 OC(CNc1cnc(cn1)F)c2ccccn2 27a_100000691469_100009856528 [0,1,0,0,0,0|2,0,0]=3 766 B18R2.257 OC(CNc1cnc(cn1)F)c2cccnc2 27a_100020605170_100009856528 [0,1,0,0,0,0|2,0,0]=3 767 B18R2.257 OC(CNc1ncc(cn1)Br)c2ccccc2 27a_100000210709_100000690281 [0,1,0,0,0,0|1,0,0]=2 768 B18R2.257 OC(CNc1ncc(cn1)Br)c2ccccn2 27a_100000691469_100000690281 [0,1,0,0,0,0|2,0,0]=3 769 B18R2.257 OC(CNc1ncc(cn1)Br)c2cccnc2 27a_100020605170_100000690281 [0,1,0,0,0,0|2,0,0]=3 770 B18R2.257 OC(CNc1ncc(cn1)Cl)c2ccccc2 27a_100000210709_100011356929 [0,1,0,0,0,0|1,0,0]=2 771 B18R2.257 OC(CNc1ncc(cn1)Cl)c2ccccn2 27a_100000691469_100011356929 [0,1,0,0,0,0|2,0,0]=3 772 B18R2.257 OC(CNc1ncc(cn1)Cl)c2cccnc2 27a_100020605170_100011356929 [0,1,0,0,0,0|2,0,0]=3 773 B18R2.257 OC(CNc1ncc(cn1)F)c2ccccc2 27a_100000210709_100000685220 [0,1,0,0,0,0|1,0,0]=2 774 B18R2.257 OC(CNc1ncc(cn1)F)c2ccccn2 27a_100000691469_100000685220 [0,1,0,0,0,0|2,0,0]=3 775 B18R2.257 OC(CNc1ncc(cn1)F)c2cccnc2 27a_100020605170_100000685220 [0,1,0,0,0,0|2,0,0]=3 776 B18R2.257 OC(COc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100000185958 [0,1,0,0,0,0|2,0,0]=3 777 B18R2.257 OC(COc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000185958 [0,1,0,0,0,0|2,0,0]=3 778 B18R2.257 OC(COc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100000185958 [0,1,0,0,0,0|2,0,0]=3 779 B18R2.257 OC(COc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000185958 [0,1,0,0,0,0|2,0,0]=3 780 B18R2.257 OC(COc1ccc(cc1)F)c2ccccc2 34a_100000210339_100000185958 [0,1,0,0,0,0|2,0,0]=3 781 B18R2.257 OC(COc1ccc(cc1)I)c2ccccc2 34a_100000212066_100000185958 [0,1,0,0,0,0|2,0,0]=3 782 B18R2.257 OC(COc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000185958 [0,1,0,0,0,0|2,0,0]=3 783 B18R2.257 OC(COc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100000185958 [0,1,0,0,0,0|1,0,0]=2 784 B18R2.257 OC(COc1ccc(cn1)F)c2ccccc2 34a_100000742473_100000185958 [0,1,0,0,0,0|1,0,0]=2 785 B18R2.257 OC(COc1ccc(nc1)Br)c2ccccc2 34a_100000685995_100000185958 [0,1,0,0,0,0|3,0,0]=4 786 B18R2.257 OC(COc1ccc(nc1)Br)c2ccccc2 7a_100000685995_100000185958 [0,1,0,0,0,0|3,0,0]=4 787 B18R2.257 OC(COc1ccc(nc1)Cl)c2ccccc2 34a_100000744096_100000185958 [0,1,0,0,0,0|3,0,0]=4 788 B18R2.257 OC(COc1ccc(nc1)Cl)c2ccccc2 7a_100000744096_100000185958 [0,1,0,0,0,0|3,0,0]=4 789 B18R2.257 OC(COc1ccc(nc1)F)c2ccccc2 34a_100000688820_100000185958 [0,1,0,0,0,0|3,0,0]=4 790 B18R2.257 OC(COc1ccc(nc1)F)c2ccccc2 7a_100000688820_100000185958 [0,1,0,0,0,0|3,0,0]=4 791 B18R2.257 OC(COc1ccc(nc1)I)c2ccccc2 34a_100000687607_100000185958 [0,1,0,0,0,0|3,0,0]=4 792 B18R2.257 OC(COc1ccc(nc1)I)c2ccccc2 7a_100000687607_100000185958 [0,1,0,0,0,0|3,0,0]=4 793 B18R2.257 OC(COc1cnc(cn1)Br)c2ccccc2 34a_100011934580_100000185958 [0,1,0,0,0,0|2,0,0]=3 794 B18R2.257 OC(COc1cnc(cn1)Cl)c2ccccc2 34a_100015839800_100000185958 [0,1,0,0,0,0|2,0,0]=3 795 B18R2.257 OC(COc1ncc(cn1)F)c2ccccc2 34a_100011934040_100000185958 [0,1,0,0,0,0|2,0,0]=3 796 B18R2.257 OC(CSc1ccc(cc1)Br)c2ccccc2 62a_100000185958_100000752885 [0,1,0,0,0,0|2,0,0]=3 797 B18R2.257 OC(CSc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100000185958 [0,1,0,0,0,0|2,0,0]=3 798 B18R2.257 OC(CSc1ccc(cc1)Cl)c2ccccc2 62a_100000185958_100000755918 [0,1,0,0,0,0|2,0,0]=3 799 B18R2.257 OC(CSc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100000185958 [0,1,0,0,0,0|2,0,0]=3 800 B18R2.257 OC(CSc1ccc(cc1)F)c2ccccc2 62a_100000185958_100000211213 [0,1,0,0,0,0|2,0,0]=3 801 B18R2.257 OC(CSc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000185958 [0,1,0,0,0,0|2,0,0]=3 802 B18R2.257 OC(CSc1ccc(cn1)Br)c2ccccc2 62a_100000185958_100000686858 [0,1,0,0,0,0|1,0,0]=2 803 B18R2.257 OC(CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000185958 [0,1,0,0,0,0|1,0,0]=2 804 B18R2.257 OC(CSc1ccc(cn1)Cl)c2ccccc2 62a_100000185958_100011356976 [0,1,0,0,0,0|1,0,0]=2 805 B18R2.257 OC(CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000185958 [0,1,0,0,0,0|1,0,0]=2 806 B18R2.257 OC(CSc1ccc(cn1)F)c2ccccc2 62a_100000185958_100000744514 [0,1,0,0,0,0|1,0,0]=2 807 B18R2.257 OC(CSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000185958 [0,1,0,0,0,0|1,0,0]=2 808 B18R2.257 OC(CSc1ccc(nc1)Br)c2ccccc2 62a_100000185958_100009814638 [0,1,0,0,0,0|3,0,0]=4 809 B18R2.257 OC(CSc1ccc(nc1)Br)c2ccccc2 62a_100009814638_100000185958 [0,1,0,0,0,0|3,0,0]=4 810 B18R2.257 OC(CSc1ccc(nc1)Cl)c2ccccc2 62a_100000034144_100000185958 [0,1,0,0,0,0|3,0,0]=4 811 B18R2.257 OC(CSc1ccc(nc1)Cl)c2ccccc2 62a_100000185958_100000034144 [0,1,0,0,0,0|3,0,0]=4 812 B18R2.257 OC(CSc1ccc(nc1)F)c2ccccc2 62a_100000042367_100000185958 [0,1,0,0,0,0|3,0,0]=4 813 B18R2.257 OC(CSc1ccc(nc1)F)c2ccccc2 62a_100000185958_100000042367 [0,1,0,0,0,0|3,0,0]=4 814 B18R2.257 OC(CSc1ccc(nn1)Cl)c2ccccc2 62a_100000068654_100000185958 [0,1,0,0,0,0|2,0,0]=3 815 B18R2.257 OC(CSc1ccc(nn1)Cl)c2ccccc2 62a_100000185958_100000068654 [0,1,0,0,0,0|2,0,0]=3 816 B18R2.257 OC(CSc1cnc(cn1)Br)c2ccccc2 62a_100000185958_100010187541 [0,1,0,0,0,0|2,0,0]=3 817 B18R2.257 OC(CSc1cnc(cn1)Br)c2ccccc2 62a_100010187541_100000185958 [0,1,0,0,0,0|2,0,0]=3 818 B18R2.257 OC(CSc1cnc(cn1)Cl)c2ccccc2 62a_100000185958_100010214907 [0,1,0,0,0,0|2,0,0]=3 819 B18R2.257 OC(CSc1cnc(cn1)Cl)c2ccccc2 62a_100010214907_100000185958 [0,1,0,0,0,0|2,0,0]=3 820 B18R2.257 OC(CSc1cnc(cn1)F)c2ccccc2 62a_100000185958_100009856528 [0,1,0,0,0,0|2,0,0]=3 821 B18R2.257 OC(CSc1cnc(cn1)F)c2ccccc2 62a_100009856528_100000185958 [0,1,0,0,0,0|2,0,0]=3 822 B18R2.257 OC(CSc1ncc(cn1)Br)c2ccccc2 62a_100000185958_100000690281 [0,1,0,0,0,0|2,0,0]=3 823 B18R2.257 OC(CSc1ncc(cn1)Br)c2ccccc2 62a_100000690281_100000185958 [0,1,0,0,0,0|2,0,0]=3 824 B18R2.257 OC(CSc1ncc(cn1)Cl)c2ccccc2 62a_100000185958_100011356929 [0,1,0,0,0,0|2,0,0]=3 825 B18R2.257 OC(CSc1ncc(cn1)Cl)c2ccccc2 62a_100011356929_100000185958 [0,1,0,0,0,0|2,0,0]=3 826 B18R2.257 OC(CSc1ncc(cn1)F)c2ccccc2 62a_100000185958_100000685220 [0,1,0,0,0,0|2,0,0]=3 827 B18R2.257 OC(CSc1ncc(cn1)F)c2ccccc2 62a_100000685220_100000185958 [0,1,0,0,0,0|2,0,0]=3 828 B18R2.257 O[C@H](CNc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100011933945 [0,1,0,0,0,0|1,0,0]=2 829 B18R2.257 O[C@H](CNc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100011933945 [0,1,0,0,0,0|1,0,0]=2 830 B18R2.257 O[C@H](CNc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100011933945 [0,1,0,0,0,0|1,0,0]=2 831 B18R2.257 O[C@H](CNc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100011933945 [0,1,0,0,0,0|1,0,0]=2 832 B18R2.257 O[C@H](CNc1ccc(cc1)F)c2ccccc2 34a_100000185862_100011933945 [0,1,0,0,0,0|1,0,0]=2 833 B18R2.257 O[C@H](CNc1ccc(cc1)I)c2ccccc2 34a_100000185761_100011933945 [0,1,0,0,0,0|1,0,0]=2 834 B18R2.257 O[C@H](COc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100011933945 [0,1,0,0,0,0|2,0,0]=3 835 B18R2.257 O[C@H](COc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100011933945 [0,1,0,0,0,0|2,0,0]=3 836 B18R2.257 O[C@H](COc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100011933945 [0,1,0,0,0,0|2,0,0]=3 837 B18R2.257 O[C@H](COc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100011933945 [0,1,0,0,0,0|2,0,0]=3 838 B18R2.257 O[C@H](COc1ccc(cc1)F)c2ccccc2 34a_100000210339_100011933945 [0,1,0,0,0,0|2,0,0]=3 839 B18R2.257 O[C@H](COc1ccc(cc1)I)c2ccccc2 34a_100000212066_100011933945 [0,1,0,0,0,0|2,0,0]=3 840 B18R2.257 O[C@H](COc1ccc(cc1)I)c2ccccc2 7a_100000212066_100011933945 [0,1,0,0,0,0|2,0,0]=3 841 B18R2.257 O[C@H](COc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100011933945 [0,1,0,0,0,0|1,0,0]=2 842 B18R2.257 O[C@H](COc1ccc(cn1)F)c2ccccc2 34a_100000742473_100011933945 [0,1,0,0,0,0|1,0,0]=2 843 B18R2.257 O[C@H](COc1ccc(nc1)Br)c2ccccc2 34a_100000685995_100011933945 [0,1,0,0,0,0|3,0,0]=4 844 B18R2.257 O[C@H](COc1ccc(nc1)Br)c2ccccc2 7a_100000685995_100011933945 [0,1,0,0,0,0|3,0,0]=4 845 B18R2.257 O[C@H](COc1ccc(nc1)Cl)c2ccccc2 34a_100000744096_100011933945 [0,1,0,0,0,0|3,0,0]=4 846 B18R2.257 O[C@H](COc1ccc(nc1)Cl)c2ccccc2 7a_100000744096_100011933945 [0,1,0,0,0,0|3,0,0]=4 847 B18R2.257 O[C@H](COc1ccc(nc1)F)c2ccccc2 34a_100000688820_100011933945 [0,1,0,0,0,0|3,0,0]=4 848 B18R2.257 O[C@H](COc1ccc(nc1)F)c2ccccc2 7a_100000688820_100011933945 [0,1,0,0,0,0|3,0,0]=4 849 B18R2.257 O[C@H](COc1ccc(nc1)I)c2ccccc2 34a_100000687607_100011933945 [0,1,0,0,0,0|3,0,0]=4 850 B18R2.257 O[C@H](COc1ccc(nc1)I)c2ccccc2 7a_100000687607_100011933945 [0,1,0,0,0,0|3,0,0]=4 851 B18R2.257 O[C@H](COc1cnc(cn1)Br)c2ccccc2 34a_100011934580_100011933945 [0,1,0,0,0,0|2,0,0]=3 852 B18R2.257 O[C@H](COc1cnc(cn1)Cl)c2ccccc2 34a_100015839800_100011933945 [0,1,0,0,0,0|2,0,0]=3 853 B18R2.257 O[C@H](COc1ncc(cn1)F)c2ccccc2 34a_100011934040_100011933945 [0,1,0,0,0,0|2,0,0]=3 854 B18R2.257 O[C@H](CSc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100011933945 [0,1,0,0,0,0|2,0,0]=3 855 B18R2.257 O[C@H](CSc1ccc(cc1)Br)c2ccccc2 62a_100011933945_100000752885 [0,1,0,0,0,0|2,0,0]=3 856 B18R2.257 O[C@H](CSc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100011933945 [0,1,0,0,0,0|2,0,0]=3 857 B18R2.257 O[C@H](CSc1ccc(cc1)Cl)c2ccccc2 62a_100011933945_100000755918 [0,1,0,0,0,0|2,0,0]=3 858 B18R2.257 O[C@H](CSc1ccc(cc1)F)c2ccccc2 62a_100000211213_100011933945 [0,1,0,0,0,0|2,0,0]=3 859 B18R2.257 O[C@H](CSc1ccc(cc1)F)c2ccccc2 62a_100011933945_100000211213 [0,1,0,0,0,0|2,0,0]=3 860 B18R2.257 O[C@H](CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100011933945 [0,1,0,0,0,0|1,0,0]=2 861 B18R2.257 O[C@H](CSc1ccc(cn1)Br)c2ccccc2 62a_100011933945_100000686858 [0,1,0,0,0,0|1,0,0]=2 862 B18R2.257 O[C@H](CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100011933945 [0,1,0,0,0,0|1,0,0]=2 863 B18R2.257 O[C@H](CSc1ccc(cn1)Cl)c2ccccc2 62a_100011933945_100011356976 [0,1,0,0,0,0|1,0,0]=2 864 B18R2.257 O[C@H](CSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100011933945 [0,1,0,0,0,0|1,0,0]=2 865 B18R2.257 O[C@H](CSc1ccc(cn1)F)c2ccccc2 62a_100011933945_100000744514 [0,1,0,0,0,0|1,0,0]=2 866 B18R2.257 O[C@H](CSc1ccc(nc1)Br)c2ccccc2 62a_100009814638_100011933945 [0,1,0,0,0,0|3,0,0]=4 867 B18R2.257 O[C@H](CSc1ccc(nc1)Br)c2ccccc2 62a_100011933945_100009814638 [0,1,0,0,0,0|3,0,0]=4 868 B18R2.257 O[C@H](CSc1ccc(nc1)Cl)c2ccccc2 62a_100000034144_100011933945 [0,1,0,0,0,0|3,0,0]=4 869 B18R2.257 O[C@H](CSc1ccc(nc1)Cl)c2ccccc2 62a_100011933945_100000034144 [0,1,0,0,0,0|3,0,0]=4 870 B18R2.257 O[C@H](CSc1ccc(nc1)F)c2ccccc2 62a_100000042367_100011933945 [0,1,0,0,0,0|3,0,0]=4 871 B18R2.257 O[C@H](CSc1ccc(nc1)F)c2ccccc2 62a_100011933945_100000042367 [0,1,0,0,0,0|3,0,0]=4 872 B18R2.257 O[C@H](CSc1ccc(nn1)Cl)c2ccccc2 62a_100000068654_100011933945 [0,1,0,0,0,0|2,0,0]=3 873 B18R2.257 O[C@H](CSc1ccc(nn1)Cl)c2ccccc2 62a_100011933945_100000068654 [0,1,0,0,0,0|2,0,0]=3 874 B18R2.257 O[C@H](CSc1cnc(cn1)Br)c2ccccc2 62a_100010187541_100011933945 [0,1,0,0,0,0|2,0,0]=3 875 B18R2.257 O[C@H](CSc1cnc(cn1)Br)c2ccccc2 62a_100011933945_100010187541 [0,1,0,0,0,0|2,0,0]=3 876 B18R2.257 O[C@H](CSc1cnc(cn1)Cl)c2ccccc2 62a_100010214907_100011933945 [0,1,0,0,0,0|2,0,0]=3 877 B18R2.257 O[C@H](CSc1cnc(cn1)Cl)c2ccccc2 62a_100011933945_100010214907 [0,1,0,0,0,0|2,0,0]=3 878 B18R2.257 O[C@H](CSc1cnc(cn1)F)c2ccccc2 62a_100009856528_100011933945 [0,1,0,0,0,0|2,0,0]=3 879 B18R2.257 O[C@H](CSc1cnc(cn1)F)c2ccccc2 62a_100011933945_100009856528 [0,1,0,0,0,0|2,0,0]=3 880 B18R2.257 O[C@H](CSc1ncc(cn1)Br)c2ccccc2 62a_100000690281_100011933945 [0,1,0,0,0,0|2,0,0]=3 881 B18R2.257 O[C@H](CSc1ncc(cn1)Br)c2ccccc2 62a_100011933945_100000690281 [0,1,0,0,0,0|2,0,0]=3 882 B18R2.257 O[C@H](CSc1ncc(cn1)Cl)c2ccccc2 62a_100011356929_100011933945 [0,1,0,0,0,0|2,0,0]=3 883 B18R2.257 O[C@H](CSc1ncc(cn1)Cl)c2ccccc2 62a_100011933945_100011356929 [0,1,0,0,0,0|2,0,0]=3 884 B18R2.257 O[C@H](CSc1ncc(cn1)F)c2ccccc2 62a_100000685220_100011933945 [0,1,0,0,0,0|2,0,0]=3 885 B18R2.257 O[C@H](CSc1ncc(cn1)F)c2ccccc2 62a_100011933945_100000685220 [0,1,0,0,0,0|2,0,0]=3 886 B18R2.257 Oc1ccc(cc1)NCC(O)c2ccccc2 34a_100000185829_100000185958 [0,1,0,0,0,0|1,0,0]=2 887 B18R2.257 Oc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000185829_100011933945 [0,1,0,0,0,0|1,0,0]=2 888 B18R2.257 Oc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000185759 [0,1,0,0,0,0|2,0,0]=3 889 B18R2.257 Oc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000185759 [0,1,0,0,0,0|2,0,0]=3 890 B18R2.257 Oc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000744096 [0,1,0,0,0,0|1,0,0]=2 891 B18R2.257 Oc1ccc(nc1)SCC(O)c2ccccc2 62a_100000685995_100000185958 [0,1,0,0,0,0|1,0,0]=2 892 B18R2.257 Oc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000685995_100011933945 [0,1,0,0,0,0|1,0,0]=2 893 B18R2.257 Oc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744096 [0,1,0,0,0,0|1,0,0]=2 894 B18R2.257 Oc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100015839800 [0,1,0,0,0,0|2,0,0]=3 895 B18R2.257 Oc1cnc(cn1)SCC(O)c2ccccc2 62a_100011934580_100000185958 [0,1,0,0,0,0|2,0,0]=3 896 B18R2.257 Oc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100015839800 [0,1,0,0,0,0|2,0,0]=3 897 B18R2.257 Oc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011934580_100011933945 [0,1,0,0,0,0|2,0,0]=3 898 B18R2.257 Oc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000092845 [0,1,0,0,0,0|2,0,0]=3 899 B18R2.257 Oc1cnc(nc1)SCC(O)c2ccccc2 62a_100000730009_100000185958 [0,1,0,0,0,0|2,0,0]=3 900 B18R2.257 Oc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000730009_100011933945 [0,1,0,0,0,0|2,0,0]=3 901 B18R2.257 Oc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000092845 [0,1,0,0,0,0|2,0,0]=3 902 B18R2.257 [O-][n+]1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000039755 [0,1,0,0,0,0|3,0,0]=4 903 B18R2.257 [O-][n+]1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000039755 [0,1,0,0,0,0|3,0,0]=4 904 B18R2.3606 BrCC(OCc1ccccn1)c2ccccc2 7a_100000185958_100000721315 [0,1,0,0,0,0|3,0,0]=4 905 B18R2.3606 C#CC(OCc1ccccn1)c2ccccc2 34a_100011219616_100000721315 [0,1,0,0,0,0|3,0,0]=4 906 B18R2.3606 C#CC(OCc1ccccn1)c2ccccc2 7a_100011219616_100000721315 [0,1,0,0,0,0|3,0,0]=4 907 B18R2.3606 C=CC(=NNc1ccccn1)c2ccccc2 4a_100000183288_200000750708 [0,1,0,0,0,0|2,0,1]=4 908 B18R2.3606 C=CC(OCc1ccccn1)c2ccccc2 34a_100011215659_100000721315 [0,1,0,0,0,0|3,0,0]=4 909 B18R2.3606 C=CC(OCc1ccccn1)c2ccccc2 7a_100011215659_100000721315 [0,1,0,0,0,0|3,0,0]=4 910 B18R2.3606 C=CC(SCc1ccccn1)c2ccccc2 62a_100000721315_200000085779 [0,1,0,0,0,0|3,0,0]=4 911 B18R2.3606 C=CC(SCc1ccccn1)c2ccccc2 62a_200000085779_100000721315 [0,1,0,0,0,0|3,0,0]=4 912 B18R2.3606 CCC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100000210124 [0,1,0,0,0,0|2,0,1]=4 913 B18R2.3606 CCC(NCc1ccccn1)c2ccccc2 207a_100000737752_100000209966 [0,1,0,0,0,0|3,0,0]=4 914 B18R2.3606 CCC(NCc1ccccn1)c2ccccc2 2230a_100000737752_100000721315 [0,1,0,0,0,0|3,0,0]=4 915 B18R2.3606 CCC(NCc1ccccn1)c2ccccc2 270004a_100000737752_100000209966 [0,1,0,0,0,0|3,0,0]=4 916 B18R2.3606 CCC(OCc1ccccn1)c2ccccc2 34a_100000698172_100000721315 [0,1,0,0,0,0|3,0,0]=4 917 B18R2.3606 CCC(OCc1ccccn1)c2ccccc2 7a_100000698172_100000721315 [0,1,0,0,0,0|3,0,0]=4 918 B18R2.3606 CCN(CCc1ccccn1)c2ccccc2 2230a_100000210013_100015183660 [0,1,0,0,0,0|3,0,0]=4 919 B18R2.3606 CCN(CCc1ccccn1)c2ccccc2 269982a_100000210013_100015183660 [0,1,0,0,0,0|3,0,0]=4 920 B18R2.3606 CNC(CCc1ccccc1)c2ccccc2 2230a_100000741669_200000210301 [0,1,0,0,0,0|3,0,0]=4 921 B18R2.3606 CNC(CCc1ccccc1)c2ccccc2 269862a_106832991636_100000685657 [0,1,0,0,0,0|3,0,0]=4 922 B18R2.3606 CNC(CCc1ccccc1)c2ccccc2 34a_100000741669_200000210301 [0,1,0,0,0,0|3,0,0]=4 923 B18R2.3606 CNC(COc1ccccc1)c2ccccc2 269862a_106832991636_100000150584 [0,1,0,0,0,0|3,0,0]=4 924 B18R2.3606 CNC(COc1ccccc1)c2ccccc2 270004a_106832991635_100000150584 [0,1,0,0,0,0|3,0,0]=4 925 B18R2.3606 COC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_200000210301 [0,1,0,0,0,0|2,0,1]=4 926 B18R2.3606 COC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_200000210301 [0,1,0,0,0,0|2,0,1]=4 927 B18R2.3606 COC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_200000210301 [0,1,0,0,0,0|2,0,1]=4 928 B18R2.3606 COC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_200000210301 [0,1,0,0,0,0|2,0,1]=4 929 B18R2.3606 COC(CCc1ccccc1)c2ccccc2 34a_200000373236_200000210301 [0,1,0,0,0,0|2,0,0]=3 930 B18R2.3606 COC(CCc1ccccc1)c2ccccc2 7a_200000373236_200000210301 [0,1,0,0,0,0|2,0,0]=3 931 B18R2.3606 COC(COc1ccccc1)c2ccccc2 34a_100000259978_200000210301 [0,1,0,0,0,0|2,0,0]=3 932 B18R2.3606 COC(COc1ccccc1)c2ccccc2 7a_100000259978_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B18R2.3606 ClC[C@@H](OCc1ccccn1)c2ccccc2 34a_100011933945_100000721315 [0,1,0,0,0,0|3,0,0]=4 934 B18R2.3606 ClC[C@@H](OCc1ccccn1)c2ccccc2 7a_100011933945_100000721315 [0,1,0,0,0,0|3,0,0]=4 935 B18R2.3606 FCC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100000069468 [0,1,0,0,0,0|2,0,1]=4 936 B18R2.3606 N#CC(OCc1ccccn1)c2ccccc2 7a_100011217353_100000721315 [0,1,0,0,0,0|3,0,0]=4 937 B18R2.3606 NCC(OCc1ccccn1)c2ccccc2 34a_100000210709_100000721315 [0,1,0,0,0,0|3,0,0]=4 938 B18R2.3606 OCC(=NNc1ccccc1)c2ccccc2 4a_100015195140_100000748912 [0,1,0,0,0,0|2,0,1]=4 939 B18R2.3606 OCC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100000748912 [0,1,0,0,0,0|1,0,1]=3 940 B18R2.3606 OCC(=NNc1cccnn1)c2ccccc2 4a_100000757824_100000748912 [0,1,0,0,0,0|2,0,1]=4 941 B18R2.3606 OCC(=NNc1ccncn1)c2ccccc2 4a_100011438088_100000748912 [0,1,0,0,0,0|2,0,1]=4 942 B18R2.3606 OCC(=NNc1cnccn1)c2ccccc2 4a_100000736894_100000748912 [0,1,0,0,0,0|2,0,1]=4 943 B18R2.3606 OCC(=NNc1ncccn1)c2ccccc2 4a_100000736892_100000748912 [0,1,0,0,0,0|2,0,1]=4 944 B18R2.3606 OCC(NCc1ccccn1)c2ccccn2 207a_100015196888_100000209966 [0,1,0,0,0,0|3,0,0]=4 945 B18R2.3606 OCC(NCc1ccccn1)c2ccccn2 2230a_100015196888_100000721315 [0,1,0,0,0,0|3,0,0]=4 946 B18R2.3606 OCC(NCc1ccccn1)c2ccccn2 270004a_100015196888_100000209966 [0,1,0,0,0,0|3,0,0]=4 947 B18R2.3606 OC[C@@H](NCc1ccccc1)c2ccccc2 207a_100000751927_100015611070 [0,1,0,0,0,0|3,0,0]=4 948 B18R2.3606 OC[C@@H](NCc1ccccc1)c2ccccc2 2230a_100000751927_100015291786 [0,1,0,0,0,0|3,0,0]=4 949 B18R2.3606 OC[C@@H](NCc1ccccc1)c2ccccc2 270004a_100000751927_100015611070 [0,1,0,0,0,0|3,0,0]=4 950 B18R2.3606 OC[C@@H](NCc1ccccc1)c2ccccc2 34a_100000751927_100015291786 [0,1,0,0,0,0|3,0,0]=4 951 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccccc2 207a_100000751927_100000209966 [0,1,0,0,0,0|2,0,0]=3 952 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccccc2 2230a_100000751927_100000721315 [0,1,0,0,0,0|2,0,0]=3 953 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccccc2 270004a_100000751927_100000209966 [0,1,0,0,0,0|2,0,0]=3 954 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccccc2 34a_100000751927_100000721315 [0,1,0,0,0,0|2,0,0]=3 955 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccncc2 207a_100138412524_100000209966 [0,1,0,0,0,0|3,0,0]=4 956 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccncc2 2230a_100138412524_100000721315 [0,1,0,0,0,0|3,0,0]=4 957 B18R2.3606 OC[C@@H](NCc1ccccn1)c2ccncc2 270004a_100138412524_100000209966 [0,1,0,0,0,0|3,0,0]=4 958 B18R2.3606 OC[C@@H](NCc1cccnn1)c2ccccc2 2230a_100000751927_100016990269 [0,1,0,0,0,0|3,0,0]=4 959 B18R2.3606 OC[C@@H](NCc1cccnn1)c2ccccc2 34a_100000751927_100016990269 [0,1,0,0,0,0|3,0,0]=4 960 B18R2.3606 OC[C@@H](NCc1cnccn1)c2ccccc2 2230a_100000751927_100016995436 [0,1,0,0,0,0|3,0,0]=4 961 B18R2.3606 OC[C@@H](NCc1cnccn1)c2ccccc2 270004a_100000751927_100000749867 [0,1,0,0,0,0|3,0,0]=4 962 B18R2.3606 OC[C@@H](NCc1cnccn1)c2ccccc2 34a_100000751927_100016995436 [0,1,0,0,0,0|3,0,0]=4 963 B18R2.3606 OC[C@@H](NCc1ncccn1)c2ccccc2 2230a_100000751927_100000703007 [0,1,0,0,0,0|3,0,0]=4 964 B18R2.3606 OC[C@@H](NCc1ncccn1)c2ccccc2 270004a_100000751927_100011532527 [0,1,0,0,0,0|3,0,0]=4 965 B18R2.3606 OC[C@@H](NCc1ncccn1)c2ccccc2 34a_100000751927_100000703007 [0,1,0,0,0,0|3,0,0]=4 966 B18R2.3606 [13CH3]NC(CCc1ccccc1)c2ccccc2 2230a_100000741669_200025704644 [0,1,0,0,0,0|3,0,0]=4 967 B18R2.3606 [13CH3]NC(CCc1ccccc1)c2ccccc2 34a_100000741669_200025704644 [0,1,0,0,0,0|3,0,0]=4 968 B18R2.3606 [13CH3]OC(/C=C/c1ccccc1)c2ccccc2 34a_100000043163_200025704644 [0,1,0,0,0,0|2,0,1]=4 969 B18R2.3606 [13CH3]OC(/C=C/c1ccccc1)c2ccccc2 7a_100000043163_200025704644 [0,1,0,0,0,0|2,0,1]=4 970 B18R2.3606 [13CH3]OC(C#Cc1ccccc1)c2ccccc2 34a_200000068236_200025704644 [0,1,0,0,0,0|2,0,1]=4 971 B18R2.3606 [13CH3]OC(C#Cc1ccccc1)c2ccccc2 7a_200000068236_200025704644 [0,1,0,0,0,0|2,0,1]=4 972 B18R2.3606 [13CH3]OC(CCc1ccccc1)c2ccccc2 34a_200000373236_200025704644 [0,1,0,0,0,0|2,0,0]=3 973 B18R2.3606 [13CH3]OC(CCc1ccccc1)c2ccccc2 7a_200000373236_200025704644 [0,1,0,0,0,0|2,0,0]=3 974 B18R2.3606 [13CH3]OC(COc1ccccc1)c2ccccc2 34a_100000259978_200025704644 [0,1,0,0,0,0|2,0,0]=3 975 B18R2.3606 [13CH3]OC(COc1ccccc1)c2ccccc2 7a_100000259978_200025704644 [0,1,0,0,0,0|2,0,0]=3 976 B18R2.3634 CC(CC(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000756946 [0,1,0,0,0,0|3,0,0]=4 977 B18R2.3634 CC(CN(C)c1ccccc1)c2ccccc2 2230a_100000210012_100000756946 [0,1,0,0,0,0|2,0,0]=3 978 B18R2.3634 CC(CN(C)c1ccccc1)c2ccccc2 269982a_100000210012_100000756946 [0,1,0,0,0,0|2,0,0]=3 979 B18R2.3634 CC(CN(C)c1ccccc1)c2ccccc2 34a_100000210012_100000756946 [0,1,0,0,0,0|2,0,0]=3 980 B18R2.3634 CC(NC(C)c1ccccn1)c2ccccc2 2230a_100000181244_100000230085 [0,1,0,0,0,0|3,0,0]=4 981 B18R2.3634 CC(NC(C)c1ccccn1)c2ccccc2 269862a_100000181244_100000185851 [0,1,0,0,0,0|3,0,0]=4 982 B18R2.3634 CC(N[C@H](C)c1ccccc1)c2ccccn2 269862a_100000751104_100000210467 [0,1,0,0,0,0|3,0,0]=4 983 B18R2.3634 CN(CC(=O)c1ccccc1)c2ccccc2 269982a_100000210012_100000211460 [0,1,0,0,0,0|1,0,2]=4 984 B18R2.3634 CN(CC(=O)c1ccccn1)c2ccccc2 269982a_100000210012_100000027445 [0,1,0,0,0,0|3,0,0]=4 985 B18R2.3634 CN(CC(=O)c1ccccn1)c2ccccc2 34a_100000210012_100000027445 [0,1,0,0,0,0|3,0,0]=4 986 B18R2.3634 CN(CC(O)c1ccccc1)c2ccccc2 2230a_100000210012_100000185958 [0,1,0,0,0,0|1,0,0]=2 987 B18R2.3634 CN(CC(O)c1ccccc1)c2ccccc2 34a_100000210012_100000185958 [0,1,0,0,0,0|1,0,0]=2 988 B18R2.3634 CN(CC(O)c1ccccc1)c2cccnn2 27a_100000227976_100016991348 [0,1,0,0,0,0|1,0,0]=2 989 B18R2.3634 CN(CC(O)c1ccccc1)c2ccncn2 27a_100000227976_100000703185 [0,1,0,0,0,0|1,0,0]=2 990 B18R2.3634 CN(CC(O)c1ccccc1)c2cnccn2 27a_100000227976_100000211759 [0,1,0,0,0,0|1,0,0]=2 991 B18R2.3634 CN(CC(O)c1ccccc1)c2ncccn2 27a_100000227976_100000211032 [0,1,0,0,0,0|1,0,0]=2 992 B18R2.3634 CN(CS(=O)c1ccccc1)c2ccccc2 269982a_100000210012_100000031784 [0,1,0,0,0,0|2,0,1]=4 993 B18R2.3634 CN(C[C@@H](O)c1ccccc1)c2ccccc2 2230a_100000210012_100011933945 [0,1,0,0,0,0|1,0,0]=2 994 B18R2.3634 CN(C[C@@H](O)c1ccccc1)c2ccccc2 34a_100000210012_100011933945 [0,1,0,0,0,0|1,0,0]=2 995 B18R2.3634 O=C(CC(=O)c1ccccn1)c2ccccc2 1458a_100000185807_100000027445 [0,1,0,0,0,0|1,0,2]=4 996 B18R2.3634 O=C(CC(O)c1ccccc1)c2ccccc2 1458a_100000185807_100000185958 [0,1,0,0,0,0|2,0,0]=3 997 B18R2.3634 O=C(C[C@@H](O)c1ccccc1)c2ccccc2 1458a_100000185807_100011933945 [0,1,0,0,0,0|2,0,0]=3 998 B18R2.3990 CC(=NNc1ncccc1Br)c2ccccc2 4a_100011464834_100000185851 [0,1,0,0,0,0|2,0,1]=4 999 B18R2.3990 CC(=NNc1ncccc1C)c2ccccc2 4a_100000708268_100000185851 [0,1,0,0,0,0|2,0,1]=4 1000 B18R2.3990 CC(=NNc1ncccc1Cl)c2ccccc2 4a_100000741667_100000185851 [0,1,0,0,0,0|2,0,1]=4 1001 B18R2.3990 CC(=NNc1ncccc1F)c2ccccc2 4a_100000717775_100000185851 [0,1,0,0,0,0|2,0,1]=4 1002 B18R2.3990 CC(=NNc1ncccc1I)c2ccccc2 4a_100010221029_100000185851 [0,1,0,0,0,0|2,0,1]=4 1003 B18R2.3990 CC(CNc1ccccc1Br)c2ccccc2 34a_100000210017_100000756946 [0,1,0,0,0,0|2,0,0]=3 1004 B18R2.3990 CC(CNc1ccccc1Cl)c2ccccc2 34a_100000185783_100000756946 [0,1,0,0,0,0|2,0,0]=3 1005 B18R2.3990 CC(CNc1ccccc1F)c2ccccc2 34a_100000210422_100000756946 [0,1,0,0,0,0|2,0,0]=3 1006 B18R2.3990 CC(CNc1ccccc1I)c2ccccc2 34a_100000210053_100000756946 [0,1,0,0,0,0|2,0,0]=3 1007 B18R2.3990 CC(CNc1ccccc1O)c2ccccc2 34a_100000185747_100000756946 [0,1,0,0,0,0|2,0,0]=3 1008 B18R2.3990 CC(CNc1ccncc1Br)c2ccccc2 27a_100000701038_100000726257 [0,1,0,0,0,0|3,0,0]=4 1009 B18R2.3990 CC(CNc1ccncc1F)c2ccccc2 27a_100000701038_100000035921 [0,1,0,0,0,0|3,0,0]=4 1010 B18R2.3990 CC(CNc1ncccc1Br)c2ccccc2 27a_100000701038_100000696092 [0,1,0,0,0,0|1,0,0]=2 1011 B18R2.3990 CC(CNc1nccnc1F)c2ccccc2 27a_100000701038_200010125657 [0,1,0,0,0,0|2,0,0]=3 1012 B18R2.3990 CC(CNc1ncncc1F)c2ccccc2 27a_100000701038_100000069762 [0,1,0,0,0,0|2,0,0]=3 1013 B18R2.3990 CC(CNc1ncncc1N)c2ccccc2 27a_100000701038_100000709731 [0,1,0,0,0,0|2,0,0]=3 1014 B18R2.3990 CC(COc1cccc[n+]1[O-])c2ccccc2 7a_100000211761_100000756946 [0,1,0,0,0,0|2,0,1]=4 1015 B18R2.3990 CC(COc1ccccc1Br)c2ccccc2 34a_100000181306_100000756946 [0,1,0,0,0,0|3,0,0]=4 1016 B18R2.3990 CC(COc1ccccc1Br)c2ccccc2 7a_100000181306_100000756946 [0,1,0,0,0,0|3,0,0]=4 1017 B18R2.3990 CC(COc1ccccc1Cl)c2ccccc2 34a_100000210172_100000756946 [0,1,0,0,0,0|3,0,0]=4 1018 B18R2.3990 CC(COc1ccccc1Cl)c2ccccc2 7a_100000210172_100000756946 [0,1,0,0,0,0|3,0,0]=4 1019 B18R2.3990 CC(COc1ccccc1F)c2ccccc2 34a_100000210171_100000756946 [0,1,0,0,0,0|3,0,0]=4 1020 B18R2.3990 CC(COc1ccccc1F)c2ccccc2 7a_100000210171_100000756946 [0,1,0,0,0,0|3,0,0]=4 1021 B18R2.3990 CC(COc1ccccc1I)c2ccccc2 34a_100000739446_100000756946 [0,1,0,0,0,0|3,0,0]=4 1022 B18R2.3990 CC(COc1ccccc1I)c2ccccc2 7a_100000739446_100000756946 [0,1,0,0,0,0|3,0,0]=4 1023 B18R2.3990 CC(COc1ccccc1N)c2ccccc2 34a_100000185747_100000756946 [0,1,0,0,0,0|3,0,0]=4 1024 B18R2.3990 CC(COc1ccccc1N)c2ccccc2 7a_100000185747_100000756946 [0,1,0,0,0,0|3,0,0]=4 1025 B18R2.3990 CC(COc1ncccc1Cl)c2ccccc2 34a_100011290957_100000756946 [0,1,0,0,0,0|2,0,0]=3 1026 B18R2.3990 CC(COc1ncccc1F)c2ccccc2 34a_100011219419_100000756946 [0,1,0,0,0,0|2,0,0]=3 1027 B18R2.3990 CC(COc1ncccc1N)c2ccccc2 34a_100000746358_100000756946 [0,1,0,0,0,0|2,0,0]=3 1028 B18R2.3990 CC(CSc1cccc[n+]1C)c2ccccc2 62a_100000756946_100000212160 [0,1,0,0,0,0|2,0,1]=4 1029 B18R2.3990 CC(CSc1cccc[n+]1[O-])c2ccccc2 62a_100000756946_200000042595 [0,1,0,0,0,0|2,0,1]=4 1030 B18R2.3990 CC(CSc1ccccc1F)c2ccccc2 62a_100000756946_100011215700 [0,1,0,0,0,0|3,0,0]=4 1031 B18R2.3990 CC(CSc1ccccc1F)c2ccccc2 62a_100011215700_100000756946 [0,1,0,0,0,0|3,0,0]=4 1032 B18R2.3990 CC(CSc1ccccc1N)c2ccccc2 62a_100000210017_100000756946 [0,1,0,0,0,0|3,0,0]=4 1033 B18R2.3990 CC(CSc1ccccc1N)c2ccccc2 62a_100000756946_100000210017 [0,1,0,0,0,0|3,0,0]=4 1034 B18R2.3990 CC(CSc1ccccc1O)c2ccccc2 62a_100000739446_100000756946 [0,1,0,0,0,0|3,0,0]=4 1035 B18R2.3990 CC(CSc1ccccc1O)c2ccccc2 62a_100000756946_100000739446 [0,1,0,0,0,0|3,0,0]=4 1036 B18R2.3990 CC(CSc1ncc[nH]c1=O)c2ccccc2 62a_100000756946_100000763361 [0,1,0,0,0,0|3,0,0]=4 1037 B18R2.3990 CC(CSc1ncccc1Br)c2ccccc2 62a_100000696092_100000756946 [0,1,0,0,0,0|2,0,0]=3 1038 B18R2.3990 CC(CSc1ncccc1Br)c2ccccc2 62a_100000756946_100000696092 [0,1,0,0,0,0|2,0,0]=3 1039 B18R2.3990 CC(CSc1ncccc1Cl)c2ccccc2 62a_100000756946_100011356963 [0,1,0,0,0,0|2,0,0]=3 1040 B18R2.3990 CC(CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100000756946 [0,1,0,0,0,0|2,0,0]=3 1041 B18R2.3990 CC(CSc1ncccc1F)c2ccccc2 62a_100000685392_100000756946 [0,1,0,0,0,0|2,0,0]=3 1042 B18R2.3990 CC(CSc1ncccc1F)c2ccccc2 62a_100000756946_100000685392 [0,1,0,0,0,0|2,0,0]=3 1043 B18R2.3990 CC(CSc1ncccc1N)c2ccccc2 62a_100000688686_100000756946 [0,1,0,0,0,0|2,0,0]=3 1044 B18R2.3990 CC(CSc1ncccc1N)c2ccccc2 62a_100000756946_100000688686 [0,1,0,0,0,0|2,0,0]=3 1045 B18R2.3990 CC(CSc1ncccc1O)c2ccccc2 62a_100000034122_100000756946 [0,1,0,0,0,0|2,0,0]=3 1046 B18R2.3990 CC(CSc1ncccc1O)c2ccccc2 62a_100000756946_100000034122 [0,1,0,0,0,0|2,0,0]=3 1047 B18R2.3990 CC(CSc1nccnc1Cl)c2ccccc2 62a_100000756946_100010886584 [0,1,0,0,0,0|3,0,0]=4 1048 B18R2.3990 CC(CSc1nccnc1Cl)c2ccccc2 62a_100010886584_100000756946 [0,1,0,0,0,0|3,0,0]=4 1049 B18R2.3990 CC(CSc1nccnc1F)c2ccccc2 62a_100000756946_200010125657 [0,1,0,0,0,0|3,0,0]=4 1050 B18R2.3990 CC(CSc1nccnc1F)c2ccccc2 62a_200010125657_100000756946 [0,1,0,0,0,0|3,0,0]=4 1051 B18R2.3990 CC(CSc1nccnc1N)c2ccccc2 62a_100000747729_100000756946 [0,1,0,0,0,0|3,0,0]=4 1052 B18R2.3990 CC(CSc1nccnc1N)c2ccccc2 62a_100000756946_100000747729 [0,1,0,0,0,0|3,0,0]=4 1053 B18R2.3990 CC(CSc1ncncc1F)c2ccccc2 62a_100000069762_100000756946 [0,1,0,0,0,0|3,0,0]=4 1054 B18R2.3990 CC(CSc1ncncc1F)c2ccccc2 62a_100000756946_100000069762 [0,1,0,0,0,0|3,0,0]=4 1055 B18R2.3990 CC(CSc1ncncc1N)c2ccccc2 62a_100000709731_100000756946 [0,1,0,0,0,0|3,0,0]=4 1056 B18R2.3990 CC(CSc1ncncc1N)c2ccccc2 62a_100000756946_100000709731 [0,1,0,0,0,0|3,0,0]=4 1057 B18R2.3990 CC(NCc1ncccc1Cl)c2ccccc2 2230a_100015189233_100000230085 [0,1,0,0,0,0|3,0,0]=4 1058 B18R2.3990 CC(NCc1ncccc1F)c2ccccc2 34a_100000690088_100000211855 [0,1,0,0,0,0|3,0,0]=4 1059 B18R2.3990 CC(OCc1ncccc1Br)c2ccccc2 34a_100011996772_100000211855 [0,1,0,0,0,0|3,0,0]=4 1060 B18R2.3990 CC(OCc1ncccc1Cl)c2ccccc2 34a_100012002383_100000211855 [0,1,0,0,0,0|3,0,0]=4 1061 B18R2.3990 CC(OCc1ncccc1F)c2ccccc2 34a_100011934865_100000211855 [0,1,0,0,0,0|3,0,0]=4 1062 B18R2.3990 CC(OCc1ncccc1N)c2ccccc2 34a_114873767017_100000211855 [0,1,0,0,0,0|3,0,0]=4 1063 B18R2.3990 CC(SCc1ncccc1Br)c2ccccc2 62a_100000230085_100025702911 [0,1,0,0,0,0|3,0,0]=4 1064 B18R2.3990 CC(SCc1ncccc1Br)c2ccccc2 62a_100025702911_100000230085 [0,1,0,0,0,0|3,0,0]=4 1065 B18R2.3990 CC(SCc1ncccc1Cl)c2ccccc2 62a_100000099807_100000230085 [0,1,0,0,0,0|3,0,0]=4 1066 B18R2.3990 CC(SCc1ncccc1Cl)c2ccccc2 62a_100000230085_100000099807 [0,1,0,0,0,0|3,0,0]=4 1067 B18R2.3990 CC(SCc1ncccc1F)c2ccccc2 62a_100000104219_100000230085 [0,1,0,0,0,0|3,0,0]=4 1068 B18R2.3990 CC(SCc1ncccc1F)c2ccccc2 62a_100000230085_100000104219 [0,1,0,0,0,0|3,0,0]=4 1069 B18R2.3990 CC(SCc1ncccc1O)c2ccccc2 62a_100000230085_200020655725 [0,1,0,0,0,0|3,0,0]=4 1070 B18R2.3990 CC(SCc1ncccc1O)c2ccccc2 62a_200020655725_100000230085 [0,1,0,0,0,0|3,0,0]=4 1071 B18R2.3990 C[C@@H](NCc1ncccc1Br)c2ccccc2 207a_100000751104_100011934733 [0,1,0,0,0,0|3,0,0]=4 1072 B18R2.3990 C[C@@H](NCc1ncccc1Br)c2ccccc2 2230a_100000751104_100025702911 [0,1,0,0,0,0|3,0,0]=4 1073 B18R2.3990 C[C@@H](NCc1ncccc1Br)c2ccccc2 270004a_100000751104_100011934733 [0,1,0,0,0,0|3,0,0]=4 1074 B18R2.3990 C[C@@H](NCc1ncccc1Cl)c2ccccc2 207a_100000751104_100012001307 [0,1,0,0,0,0|3,0,0]=4 1075 B18R2.3990 C[C@@H](NCc1ncccc1Cl)c2ccccc2 2230a_100000751104_100000099807 [0,1,0,0,0,0|3,0,0]=4 1076 B18R2.3990 C[C@@H](NCc1ncccc1Cl)c2ccccc2 270004a_100000751104_100012001307 [0,1,0,0,0,0|3,0,0]=4 1077 B18R2.3990 C[C@@H](NCc1ncccc1F)c2ccccc2 207a_100000751104_100011934734 [0,1,0,0,0,0|3,0,0]=4 1078 B18R2.3990 C[C@@H](NCc1ncccc1F)c2ccccc2 2230a_100000751104_100000104219 [0,1,0,0,0,0|3,0,0]=4 1079 B18R2.3990 C[C@@H](NCc1ncccc1F)c2ccccc2 270004a_100000751104_100011934734 [0,1,0,0,0,0|3,0,0]=4 1080 B18R2.3990 C[C@@H](OCc1ncccc1Br)c2ccccc2 34a_100000761318_100025702911 [0,1,0,0,0,0|3,0,0]=4 1081 B18R2.3990 C[C@@H](OCc1ncccc1Br)c2ccccc2 7a_100000761318_100025702911 [0,1,0,0,0,0|3,0,0]=4 1082 B18R2.3990 C[C@@H](OCc1ncccc1Cl)c2ccccc2 7a_100000761318_100000099807 [0,1,0,0,0,0|3,0,0]=4 1083 B18R2.3990 C[C@@H](OCc1ncccc1F)c2ccccc2 34a_100000761318_100000104219 [0,1,0,0,0,0|3,0,0]=4 1084 B18R2.3990 C[C@@H](OCc1ncccc1F)c2ccccc2 7a_100000761318_100000104219 [0,1,0,0,0,0|3,0,0]=4 1085 B18R2.3990 C[C@@H](OCc1ncccc1O)c2ccccc2 34a_100000761318_200020655725 [0,1,0,0,0,0|3,0,0]=4 1086 B18R2.3990 C[C@@H](OCc1ncccc1O)c2ccccc2 7a_100000761318_200020655725 [0,1,0,0,0,0|3,0,0]=4 1087 B18R2.3990 C[n+]1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000212160 [0,1,0,0,0,0|1,0,1]=3 1088 B18R2.3990 C[n+]1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000212160 [0,1,0,0,0,0|1,0,1]=3 1089 B18R2.3990 Cc1ccccc1NCC(C)c2ccccc2 34a_100015192222_100000756946 [0,1,0,0,0,0|2,0,0]=3 1090 B18R2.3990 Cc1ccccc1NCC(O)c2ccccc2 34a_100015192222_100000185958 [0,1,0,0,0,0|1,0,0]=2 1091 B18R2.3990 Cc1ccccc1NC[C@@H](O)c2ccccc2 34a_100015192222_100011933945 [0,1,0,0,0,0|1,0,0]=2 1092 B18R2.3990 Cc1ccccc1OCC(C)c2ccccc2 34a_100000210338_100000756946 [0,1,0,0,0,0|3,0,0]=4 1093 B18R2.3990 Cc1ccccc1OCC(C)c2ccccc2 7a_100000210338_100000756946 [0,1,0,0,0,0|3,0,0]=4 1094 B18R2.3990 Cc1ccccc1OCC(O)c2ccccc2 34a_100000210338_100000185958 [0,1,0,0,0,0|2,0,0]=3 1095 B18R2.3990 Cc1ccccc1OCC(O)c2ccccc2 7a_100000210338_100000185958 [0,1,0,0,0,0|2,0,0]=3 1096 B18R2.3990 Cc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000210338_100011933945 [0,1,0,0,0,0|2,0,0]=3 1097 B18R2.3990 Cc1ccccc1OC[C@@H](O)c2ccccc2 7a_100000210338_100011933945 [0,1,0,0,0,0|2,0,0]=3 1098 B18R2.3990 Cc1ccccc1SCC(C)c2ccccc2 62a_100000210755_100000756946 [0,1,0,0,0,0|3,0,0]=4 1099 B18R2.3990 Cc1ccccc1SCC(C)c2ccccc2 62a_100000756946_100000210755 [0,1,0,0,0,0|3,0,0]=4 1100 B18R2.3990 Cc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000210755 [0,1,0,0,0,0|2,0,0]=3 1101 B18R2.3990 Cc1ccccc1SCC(O)c2ccccc2 62a_100000210755_100000185958 [0,1,0,0,0,0|2,0,0]=3 1102 B18R2.3990 Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000210755_100011933945 [0,1,0,0,0,0|2,0,0]=3 1103 B18R2.3990 Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000210755 [0,1,0,0,0,0|2,0,0]=3 1104 B18R2.3990 Cc1cccnc1CNC(C)c2ccccc2 34a_100011223789_100000211855 [0,1,0,0,0,0|3,0,0]=4 1105 B18R2.3990 Cc1cccnc1CN[C@H](C)c2ccccc2 207a_100000751104_100000698913 [0,1,0,0,0,0|3,0,0]=4 1106 B18R2.3990 Cc1cccnc1CN[C@H](C)c2ccccc2 2230a_100000751104_100000696600 [0,1,0,0,0,0|3,0,0]=4 1107 B18R2.3990 Cc1cccnc1CN[C@H](C)c2ccccc2 270004a_100000751104_100000698913 [0,1,0,0,0,0|3,0,0]=4 1108 B18R2.3990 Cc1cccnc1COC(C)c2ccccc2 34a_100000698912_100000211855 [0,1,0,0,0,0|3,0,0]=4 1109 B18R2.3990 Cc1cccnc1CO[C@H](C)c2ccccc2 34a_100000761318_100000696600 [0,1,0,0,0,0|3,0,0]=4 1110 B18R2.3990 Cc1cccnc1CO[C@H](C)c2ccccc2 7a_100000761318_100000696600 [0,1,0,0,0,0|3,0,0]=4 1111 B18R2.3990 Cc1cccnc1CSC(C)c2ccccc2 62a_100000230085_100000696600 [0,1,0,0,0,0|3,0,0]=4 1112 B18R2.3990 Cc1cccnc1CSC(C)c2ccccc2 62a_100000696600_100000230085 [0,1,0,0,0,0|3,0,0]=4 1113 B18R2.3990 Cc1cccnc1NNC(=O)c2ccccc2 22a_100000708268_100000185807 [0,1,0,0,0,0|1,0,2]=4 1114 B18R2.3990 Cc1cccnc1SCC(=O)c2ccccc2 62a_100000211460_100000751373 [0,1,0,0,0,0|1,0,2]=4 1115 B18R2.3990 Cc1cccnc1SCC(=O)c2ccccc2 62a_100000751373_100000211460 [0,1,0,0,0,0|1,0,2]=4 1116 B18R2.3990 Cc1cccnc1SCC(C)c2ccccc2 62a_100000751373_100000756946 [0,1,0,0,0,0|2,0,0]=3 1117 B18R2.3990 Cc1cccnc1SCC(C)c2ccccc2 62a_100000756946_100000751373 [0,1,0,0,0,0|2,0,0]=3 1118 B18R2.3990 Cc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100000751373 [0,1,0,0,0,0|1,0,0]=2 1119 B18R2.3990 Cc1cccnc1SCC(O)c2ccccc2 62a_100000751373_100000185958 [0,1,0,0,0,0|1,0,0]=2 1120 B18R2.3990 Cc1cccnc1SCS(=O)c2ccccc2 62a_100000751373_100000031784 [0,1,0,0,0,0|2,0,1]=4 1121 B18R2.3990 Cc1cccnc1SC[C@@H](O)c2ccccc2 62a_100000751373_100011933945 [0,1,0,0,0,0|1,0,0]=2 1122 B18R2.3990 Cc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000751373 [0,1,0,0,0,0|1,0,0]=2 1123 B18R2.3990 Cc1ccncc1OCC(O)c2ccccc2 34a_100011997053_100000185958 [0,1,0,0,0,0|3,0,0]=4 1124 B18R2.3990 Cc1ccncc1OCC(O)c2ccccc2 7a_100011997053_100000185958 [0,1,0,0,0,0|3,0,0]=4 1125 B18R2.3990 Cc1ccncc1OC[C@@H](O)c2ccccc2 34a_100011997053_100011933945 [0,1,0,0,0,0|3,0,0]=4 1126 B18R2.3990 Cc1ccncc1OC[C@@H](O)c2ccccc2 7a_100011997053_100011933945 [0,1,0,0,0,0|3,0,0]=4 1127 B18R2.3990 Cc1ccncc1SCC(O)c2ccccc2 62a_100000185958_100000761580 [0,1,0,0,0,0|3,0,0]=4 1128 B18R2.3990 Cc1ccncc1SCC(O)c2ccccc2 62a_100000761580_100000185958 [0,1,0,0,0,0|3,0,0]=4 1129 B18R2.3990 Cc1ccncc1SC[C@@H](O)c2ccccc2 62a_100000761580_100011933945 [0,1,0,0,0,0|3,0,0]=4 1130 B18R2.3990 Cc1ccncc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000761580 [0,1,0,0,0,0|3,0,0]=4 1131 B18R2.3990 Cc1ccnnc1NCC(C)c2ccccc2 27a_100000701038_100000089043 [0,1,0,0,0,0|2,0,0]=3 1132 B18R2.3990 Cc1ccnnc1NCC(O)c2ccccc2 27a_100000210709_100000089043 [0,1,0,0,0,0|1,0,0]=2 1133 B18R2.3990 Cc1ccnnc1NCC(O)c2ccccn2 27a_100000691469_100000089043 [0,1,0,0,0,0|2,0,0]=3 1134 B18R2.3990 Cc1ccnnc1NCC(O)c2cccnc2 27a_100020605170_100000089043 [0,1,0,0,0,0|2,0,0]=3 1135 B18R2.3990 Cc1ccnnc1SCC(C)c2ccccc2 62a_100000756946_100000089043 [0,1,0,0,0,0|3,0,0]=4 1136 B18R2.3990 Cc1ccnnc1SCC(O)c2ccccc2 62a_100000185958_100000089043 [0,1,0,0,0,0|2,0,0]=3 1137 B18R2.3990 Cc1ccnnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000089043 [0,1,0,0,0,0|2,0,0]=3 1138 B18R2.3990 Cc1cnccc1NCC(C)c2ccccc2 27a_100000701038_100000765111 [0,1,0,0,0,0|3,0,0]=4 1139 B18R2.3990 Cc1cnccc1NCC(O)c2ccccc2 27a_100000210709_100000765111 [0,1,0,0,0,0|2,0,0]=3 1140 B18R2.3990 Cc1cnccc1NCC(O)c2ccccn2 27a_100000691469_100000765111 [0,1,0,0,0,0|3,0,0]=4 1141 B18R2.3990 Cc1cnccc1NCC(O)c2cccnc2 27a_100020605170_100000765111 [0,1,0,0,0,0|3,0,0]=4 1142 B18R2.3990 Cc1cnccc1OCC(O)c2ccccc2 34a_100000694293_100000185958 [0,1,0,0,0,0|3,0,0]=4 1143 B18R2.3990 Cc1cnccc1OC[C@@H](O)c2ccccc2 34a_100000694293_100011933945 [0,1,0,0,0,0|3,0,0]=4 1144 B18R2.3990 Cc1cnccc1SCC(O)c2ccccc2 62a_100000185958_100000765111 [0,1,0,0,0,0|3,0,0]=4 1145 B18R2.3990 Cc1cnccc1SCC(O)c2ccccc2 62a_100000765111_100000185958 [0,1,0,0,0,0|3,0,0]=4 1146 B18R2.3990 Cc1cnccc1SC[C@@H](O)c2ccccc2 62a_100000765111_100011933945 [0,1,0,0,0,0|3,0,0]=4 1147 B18R2.3990 Cc1cnccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000765111 [0,1,0,0,0,0|3,0,0]=4 1148 B18R2.3990 Cc1cncnc1NCC(C)c2ccccc2 27a_100000701038_100011998708 [0,1,0,0,0,0|2,0,0]=3 1149 B18R2.3990 Cc1cncnc1NCC(O)c2ccccc2 27a_100000210709_100011998708 [0,1,0,0,0,0|1,0,0]=2 1150 B18R2.3990 Cc1cncnc1NCC(O)c2ccccn2 27a_100000691469_100011998708 [0,1,0,0,0,0|2,0,0]=3 1151 B18R2.3990 Cc1cncnc1NCC(O)c2cccnc2 27a_100020605170_100011998708 [0,1,0,0,0,0|2,0,0]=3 1152 B18R2.3990 Cc1cncnc1SCC(C)c2ccccc2 62a_100000756946_100011998708 [0,1,0,0,0,0|3,0,0]=4 1153 B18R2.3990 Cc1cncnc1SCC(C)c2ccccc2 62a_100011998708_100000756946 [0,1,0,0,0,0|3,0,0]=4 1154 B18R2.3990 Cc1cncnc1SCC(O)c2ccccc2 62a_100000185958_100011998708 [0,1,0,0,0,0|2,0,0]=3 1155 B18R2.3990 Cc1cncnc1SCC(O)c2ccccc2 62a_100011998708_100000185958 [0,1,0,0,0,0|2,0,0]=3 1156 B18R2.3990 Cc1cncnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011998708 [0,1,0,0,0,0|2,0,0]=3 1157 B18R2.3990 Cc1cncnc1SC[C@@H](O)c2ccccc2 62a_100011998708_100011933945 [0,1,0,0,0,0|2,0,0]=3 1158 B18R2.3990 Cc1ncccc1OCC(O)c2ccccc2 34a_100000745507_100000185958 [0,1,0,0,0,0|3,0,0]=4 1159 B18R2.3990 Cc1ncccc1OCC(O)c2ccccc2 7a_100000745507_100000185958 [0,1,0,0,0,0|3,0,0]=4 1160 B18R2.3990 Cc1ncccc1OC[C@@H](O)c2ccccc2 34a_100000745507_100011933945 [0,1,0,0,0,0|3,0,0]=4 1161 B18R2.3990 Cc1ncccc1OC[C@@H](O)c2ccccc2 7a_100000745507_100011933945 [0,1,0,0,0,0|3,0,0]=4 1162 B18R2.3990 Cc1ncccc1SCC(O)c2ccccc2 62a_100000185958_100000751574 [0,1,0,0,0,0|3,0,0]=4 1163 B18R2.3990 Cc1ncccc1SCC(O)c2ccccc2 62a_100000751574_100000185958 [0,1,0,0,0,0|3,0,0]=4 1164 B18R2.3990 Cc1ncccc1SC[C@@H](O)c2ccccc2 62a_100000751574_100011933945 [0,1,0,0,0,0|3,0,0]=4 1165 B18R2.3990 Cc1ncccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000751574 [0,1,0,0,0,0|3,0,0]=4 1166 B18R2.3990 Cc1nccnc1NCC(C)c2ccccc2 27a_100000701038_100011999405 [0,1,0,0,0,0|2,0,0]=3 1167 B18R2.3990 Cc1nccnc1NCC(O)c2ccccc2 27a_100000210709_100011999405 [0,1,0,0,0,0|1,0,0]=2 1168 B18R2.3990 Cc1nccnc1NCC(O)c2ccccn2 27a_100000691469_100011999405 [0,1,0,0,0,0|2,0,0]=3 1169 B18R2.3990 Cc1nccnc1NCC(O)c2cccnc2 27a_100020605170_100011999405 [0,1,0,0,0,0|2,0,0]=3 1170 B18R2.3990 Cc1nccnc1OCC(C)c2ccccc2 34a_100000766352_100000756946 [0,1,0,0,0,0|3,0,0]=4 1171 B18R2.3990 Cc1nccnc1OCC(O)c2ccccc2 34a_100000766352_100000185958 [0,1,0,0,0,0|2,0,0]=3 1172 B18R2.3990 Cc1nccnc1OC[C@@H](O)c2ccccc2 34a_100000766352_100011933945 [0,1,0,0,0,0|2,0,0]=3 1173 B18R2.3990 Cc1nccnc1SCC(C)c2ccccc2 62a_100000756946_100011999405 [0,1,0,0,0,0|3,0,0]=4 1174 B18R2.3990 Cc1nccnc1SCC(C)c2ccccc2 62a_100011999405_100000756946 [0,1,0,0,0,0|3,0,0]=4 1175 B18R2.3990 Cc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100011999405 [0,1,0,0,0,0|2,0,0]=3 1176 B18R2.3990 Cc1nccnc1SCC(O)c2ccccc2 62a_100011999405_100000185958 [0,1,0,0,0,0|2,0,0]=3 1177 B18R2.3990 Cc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011999405 [0,1,0,0,0,0|2,0,0]=3 1178 B18R2.3990 Cc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011999405_100011933945 [0,1,0,0,0,0|2,0,0]=3 1179 B18R2.3990 Nc1ccccc1OCC(O)c2ccccc2 34a_100000185747_100000185958 [0,1,0,0,0,0|2,0,0]=3 1180 B18R2.3990 Nc1ccccc1OCC(O)c2ccccc2 7a_100000185747_100000185958 [0,1,0,0,0,0|2,0,0]=3 1181 B18R2.3990 Nc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000185747_100011933945 [0,1,0,0,0,0|2,0,0]=3 1182 B18R2.3990 Nc1ccccc1OC[C@@H](O)c2ccccc2 7a_100000185747_100011933945 [0,1,0,0,0,0|2,0,0]=3 1183 B18R2.3990 Nc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000210017 [0,1,0,0,0,0|2,0,0]=3 1184 B18R2.3990 Nc1ccccc1SCC(O)c2ccccc2 62a_100000210017_100000185958 [0,1,0,0,0,0|2,0,0]=3 1185 B18R2.3990 Nc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000210017_100011933945 [0,1,0,0,0,0|2,0,0]=3 1186 B18R2.3990 Nc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000210017 [0,1,0,0,0,0|2,0,0]=3 1187 B18R2.3990 Nc1cccnc1OCC(O)c2ccccc2 34a_100000746358_100000185958 [0,1,0,0,0,0|1,0,0]=2 1188 B18R2.3990 Nc1cccnc1OC[C@@H](O)c2ccccc2 34a_100000746358_100011933945 [0,1,0,0,0,0|1,0,0]=2 1189 B18R2.3990 Nc1cccnc1SCC(=O)c2ccccc2 62a_100000211460_100000688686 [0,1,0,0,0,0|1,0,2]=4 1190 B18R2.3990 Nc1cccnc1SCC(=O)c2ccccc2 62a_100000688686_100000211460 [0,1,0,0,0,0|1,0,2]=4 1191 B18R2.3990 Nc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100000688686 [0,1,0,0,0,0|1,0,0]=2 1192 B18R2.3990 Nc1cccnc1SCC(O)c2ccccc2 62a_100000688686_100000185958 [0,1,0,0,0,0|1,0,0]=2 1193 B18R2.3990 Nc1cccnc1SCS(=O)c2ccccc2 62a_100000688686_100000031784 [0,1,0,0,0,0|2,0,1]=4 1194 B18R2.3990 Nc1cccnc1SC[C@@H](O)c2ccccc2 62a_100000688686_100011933945 [0,1,0,0,0,0|1,0,0]=2 1195 B18R2.3990 Nc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000688686 [0,1,0,0,0,0|1,0,0]=2 1196 B18R2.3990 Nc1ccncc1OCC(O)c2ccccc2 34a_100000753702_100000185958 [0,1,0,0,0,0|3,0,0]=4 1197 B18R2.3990 Nc1ccncc1OC[C@@H](O)c2ccccc2 34a_100000753702_100011933945 [0,1,0,0,0,0|3,0,0]=4 1198 B18R2.3990 Nc1ccncc1SCC(O)c2ccccc2 62a_100000047001_100000185958 [0,1,0,0,0,0|3,0,0]=4 1199 B18R2.3990 Nc1ccncc1SCC(O)c2ccccc2 62a_100000185958_100000047001 [0,1,0,0,0,0|3,0,0]=4 1200 B18R2.3990 Nc1ccncc1SC[C@@H](O)c2ccccc2 62a_100000047001_100011933945 [0,1,0,0,0,0|3,0,0]=4 1201 B18R2.3990 Nc1ccncc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000047001 [0,1,0,0,0,0|3,0,0]=4 1202 B18R2.3990 Nc1cnccc1SCC(O)c2ccccc2 62a_100000185958_100000756074 [0,1,0,0,0,0|3,0,0]=4 1203 B18R2.3990 Nc1cnccc1SCC(O)c2ccccc2 62a_100000756074_100000185958 [0,1,0,0,0,0|3,0,0]=4 1204 B18R2.3990 Nc1cnccc1SC[C@@H](O)c2ccccc2 62a_100000756074_100011933945 [0,1,0,0,0,0|3,0,0]=4 1205 B18R2.3990 Nc1cnccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000756074 [0,1,0,0,0,0|3,0,0]=4 1206 B18R2.3990 Nc1cncnc1NCC(O)c2ccccc2 27a_100000210709_100000709731 [0,1,0,0,0,0|1,0,0]=2 1207 B18R2.3990 Nc1cncnc1NCC(O)c2ccccn2 27a_100000691469_100000709731 [0,1,0,0,0,0|2,0,0]=3 1208 B18R2.3990 Nc1cncnc1NCC(O)c2cccnc2 27a_100020605170_100000709731 [0,1,0,0,0,0|2,0,0]=3 1209 B18R2.3990 Nc1cncnc1SCC(O)c2ccccc2 62a_100000185958_100000709731 [0,1,0,0,0,0|2,0,0]=3 1210 B18R2.3990 Nc1cncnc1SCC(O)c2ccccc2 62a_100000709731_100000185958 [0,1,0,0,0,0|2,0,0]=3 1211 B18R2.3990 Nc1cncnc1SC[C@@H](O)c2ccccc2 62a_100000709731_100011933945 [0,1,0,0,0,0|2,0,0]=3 1212 B18R2.3990 Nc1cncnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000709731 [0,1,0,0,0,0|2,0,0]=3 1213 B18R2.3990 Nc1ncccc1OCC(O)c2ccccc2 34a_100000211975_100000185958 [0,1,0,0,0,0|3,0,0]=4 1214 B18R2.3990 Nc1ncccc1OCC(O)c2ccccc2 7a_100000211975_100000185958 [0,1,0,0,0,0|3,0,0]=4 1215 B18R2.3990 Nc1ncccc1OC[C@@H](O)c2ccccc2 34a_100000211975_100011933945 [0,1,0,0,0,0|3,0,0]=4 1216 B18R2.3990 Nc1ncccc1OC[C@@H](O)c2ccccc2 7a_100000211975_100011933945 [0,1,0,0,0,0|3,0,0]=4 1217 B18R2.3990 Nc1ncccc1SCC(O)c2ccccc2 62a_100000045569_100000185958 [0,1,0,0,0,0|3,0,0]=4 1218 B18R2.3990 Nc1ncccc1SCC(O)c2ccccc2 62a_100000185958_100000045569 [0,1,0,0,0,0|3,0,0]=4 1219 B18R2.3990 Nc1ncccc1SC[C@@H](O)c2ccccc2 62a_100000045569_100011933945 [0,1,0,0,0,0|3,0,0]=4 1220 B18R2.3990 Nc1ncccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000045569 [0,1,0,0,0,0|3,0,0]=4 1221 B18R2.3990 Nc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000747729 [0,1,0,0,0,0|2,0,0]=3 1222 B18R2.3990 Nc1nccnc1SCC(O)c2ccccc2 62a_100000747729_100000185958 [0,1,0,0,0,0|2,0,0]=3 1223 B18R2.3990 Nc1nccnc1SC[C@@H](O)c2ccccc2 62a_100000747729_100011933945 [0,1,0,0,0,0|2,0,0]=3 1224 B18R2.3990 Nc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000747729 [0,1,0,0,0,0|2,0,0]=3 1225 B18R2.3990 O=C(CSc1ncccc1Br)c2ccccc2 62a_100000211460_100000696092 [0,1,0,0,0,0|1,0,2]=4 1226 B18R2.3990 O=C(CSc1ncccc1Br)c2ccccc2 62a_100000696092_100000211460 [0,1,0,0,0,0|1,0,2]=4 1227 B18R2.3990 O=C(CSc1ncccc1Cl)c2ccccc2 62a_100000211460_100011356963 [0,1,0,0,0,0|1,0,2]=4 1228 B18R2.3990 O=C(CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100000211460 [0,1,0,0,0,0|1,0,2]=4 1229 B18R2.3990 O=C(CSc1ncccc1F)c2ccccc2 62a_100000211460_100000685392 [0,1,0,0,0,0|1,0,2]=4 1230 B18R2.3990 O=C(CSc1ncccc1F)c2ccccc2 62a_100000685392_100000211460 [0,1,0,0,0,0|1,0,2]=4 1231 B18R2.3990 O=C(CSc1ncccc1O)c2ccccc2 62a_100000034122_100000211460 [0,1,0,0,0,0|1,0,2]=4 1232 B18R2.3990 O=C(CSc1ncccc1O)c2ccccc2 62a_100000211460_100000034122 [0,1,0,0,0,0|1,0,2]=4 1233 B18R2.3990 O=C(NNc1ncccc1Br)c2ccccc2 22a_100011464834_100000185807 [0,1,0,0,0,0|1,0,2]=4 1234 B18R2.3990 O=C(NNc1ncccc1Cl)c2ccccc2 22a_100000741667_100000185807 [0,1,0,0,0,0|1,0,2]=4 1235 B18R2.3990 O=C(NNc1ncccc1F)c2ccccc2 22a_100000717775_100000185807 [0,1,0,0,0,0|1,0,2]=4 1236 B18R2.3990 O=C(NNc1ncccc1I)c2ccccc2 22a_100010221029_100000185807 [0,1,0,0,0,0|1,0,2]=4 1237 B18R2.3990 O=S(CSc1ncccc1Br)c2ccccc2 62a_100000696092_100000031784 [0,1,0,0,0,0|2,0,1]=4 1238 B18R2.3990 O=S(CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100000031784 [0,1,0,0,0,0|2,0,1]=4 1239 B18R2.3990 O=S(CSc1ncccc1F)c2ccccc2 62a_100000685392_100000031784 [0,1,0,0,0,0|2,0,1]=4 1240 B18R2.3990 O=S(CSc1ncccc1O)c2ccccc2 62a_100000034122_100000031784 [0,1,0,0,0,0|2,0,1]=4 1241 B18R2.3990 O=c1[nH]ccnc1SCC(O)c2ccccc2 62a_100000185958_100000763361 [0,1,0,0,0,0|2,0,0]=3 1242 B18R2.3990 O=c1[nH]ccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000763361 [0,1,0,0,0,0|2,0,0]=3 1243 B18R2.3990 O=c1[nH]nccc1NCC(O)c2ccccc2 27a_100000210709_100000087129 [0,1,0,0,0,0|3,0,0]=4 1244 B18R2.3990 O=c1cc[nH]cc1SCC(O)c2ccccc2 62a_100000185958_100009998708 [0,1,0,0,0,0|3,0,0]=4 1245 B18R2.3990 O=c1cc[nH]cc1SCC(O)c2ccccc2 62a_100009998708_100000185958 [0,1,0,0,0,0|3,0,0]=4 1246 B18R2.3990 O=c1cc[nH]cc1SC[C@@H](O)c2ccccc2 62a_100009998708_100011933945 [0,1,0,0,0,0|3,0,0]=4 1247 B18R2.3990 O=c1cc[nH]cc1SC[C@@H](O)c2ccccc2 62a_100011933945_100009998708 [0,1,0,0,0,0|3,0,0]=4 1248 B18R2.3990 O=c1ccocc1OCC(O)c2ccccc2 34a_100000060831_100000185958 [0,1,0,0,0,0|3,0,0]=4 1249 B18R2.3990 O=c1ccocc1OC[C@@H](O)c2ccccc2 34a_100000060831_100011933945 [0,1,0,0,0,0|3,0,0]=4 1250 B18R2.3990 O=c1occcc1OCC(O)c2ccccc2 34a_100000077404_100000185958 [0,1,0,0,0,0|3,0,0]=4 1251 B18R2.3990 O=c1occcc1OCC(O)c2ccccc2 7a_100000077404_100000185958 [0,1,0,0,0,0|3,0,0]=4 1252 B18R2.3990 O=c1occcc1OC[C@@H](O)c2ccccc2 34a_100000077404_100011933945 [0,1,0,0,0,0|3,0,0]=4 1253 B18R2.3990 O=c1occcc1OC[C@@H](O)c2ccccc2 7a_100000077404_100011933945 [0,1,0,0,0,0|3,0,0]=4 1254 B18R2.3990 OC(CNc1ccccc1Br)c2ccccc2 34a_100000210017_100000185958 [0,1,0,0,0,0|1,0,0]=2 1255 B18R2.3990 OC(CNc1ccccc1Cl)c2ccccc2 34a_100000185783_100000185958 [0,1,0,0,0,0|1,0,0]=2 1256 B18R2.3990 OC(CNc1ccccc1F)c2ccccc2 34a_100000210422_100000185958 [0,1,0,0,0,0|1,0,0]=2 1257 B18R2.3990 OC(CNc1ccccc1I)c2ccccc2 34a_100000210053_100000185958 [0,1,0,0,0,0|1,0,0]=2 1258 B18R2.3990 OC(CNc1ccncc1Br)c2ccccc2 27a_100000210709_100000726257 [0,1,0,0,0,0|2,0,0]=3 1259 B18R2.3990 OC(CNc1ccncc1Br)c2ccccn2 27a_100000691469_100000726257 [0,1,0,0,0,0|3,0,0]=4 1260 B18R2.3990 OC(CNc1ccncc1Br)c2cccnc2 27a_100020605170_100000726257 [0,1,0,0,0,0|3,0,0]=4 1261 B18R2.3990 OC(CNc1ccncc1F)c2ccccc2 27a_100000210709_100000035921 [0,1,0,0,0,0|2,0,0]=3 1262 B18R2.3990 OC(CNc1ccncc1F)c2ccccn2 27a_100000691469_100000035921 [0,1,0,0,0,0|3,0,0]=4 1263 B18R2.3990 OC(CNc1ccncc1F)c2cccnc2 27a_100020605170_100000035921 [0,1,0,0,0,0|3,0,0]=4 1264 B18R2.3990 OC(CNc1ncccc1Br)c2ccccc2 27a_100000210709_100000696092 [0,1,0,0,0,0|0,0,0]=1 1265 B18R2.3990 OC(CNc1ncccc1Br)c2ccccn2 27a_100000691469_100000696092 [0,1,0,0,0,0|1,0,0]=2 1266 B18R2.3990 OC(CNc1ncccc1Br)c2cccnc2 27a_100020605170_100000696092 [0,1,0,0,0,0|1,0,0]=2 1267 B18R2.3990 OC(CNc1nccnc1F)c2ccccc2 27a_100000210709_200010125657 [0,1,0,0,0,0|1,0,0]=2 1268 B18R2.3990 OC(CNc1nccnc1F)c2ccccn2 27a_100000691469_200010125657 [0,1,0,0,0,0|2,0,0]=3 1269 B18R2.3990 OC(CNc1nccnc1F)c2cccnc2 27a_100020605170_200010125657 [0,1,0,0,0,0|2,0,0]=3 1270 B18R2.3990 OC(CNc1ncncc1F)c2ccccc2 27a_100000210709_100000069762 [0,1,0,0,0,0|1,0,0]=2 1271 B18R2.3990 OC(CNc1ncncc1F)c2ccccn2 27a_100000691469_100000069762 [0,1,0,0,0,0|2,0,0]=3 1272 B18R2.3990 OC(CNc1ncncc1F)c2cccnc2 27a_100020605170_100000069762 [0,1,0,0,0,0|2,0,0]=3 1273 B18R2.3990 OC(COc1ccccc1Br)c2ccccc2 34a_100000181306_100000185958 [0,1,0,0,0,0|2,0,0]=3 1274 B18R2.3990 OC(COc1ccccc1Br)c2ccccc2 7a_100000181306_100000185958 [0,1,0,0,0,0|2,0,0]=3 1275 B18R2.3990 OC(COc1ccccc1Cl)c2ccccc2 34a_100000210172_100000185958 [0,1,0,0,0,0|2,0,0]=3 1276 B18R2.3990 OC(COc1ccccc1Cl)c2ccccc2 7a_100000210172_100000185958 [0,1,0,0,0,0|2,0,0]=3 1277 B18R2.3990 OC(COc1ccccc1F)c2ccccc2 34a_100000210171_100000185958 [0,1,0,0,0,0|2,0,0]=3 1278 B18R2.3990 OC(COc1ccccc1F)c2ccccc2 7a_100000210171_100000185958 [0,1,0,0,0,0|2,0,0]=3 1279 B18R2.3990 OC(COc1ccccc1I)c2ccccc2 34a_100000739446_100000185958 [0,1,0,0,0,0|2,0,0]=3 1280 B18R2.3990 OC(COc1ccccc1I)c2ccccc2 7a_100000739446_100000185958 [0,1,0,0,0,0|2,0,0]=3 1281 B18R2.3990 OC(COc1cccnc1Br)c2ccccc2 34a_100000744436_100000185958 [0,1,0,0,0,0|3,0,0]=4 1282 B18R2.3990 OC(COc1cccnc1Br)c2ccccc2 7a_100000744436_100000185958 [0,1,0,0,0,0|3,0,0]=4 1283 B18R2.3990 OC(COc1cccnc1Cl)c2ccccc2 34a_100000757616_100000185958 [0,1,0,0,0,0|3,0,0]=4 1284 B18R2.3990 OC(COc1cccnc1Cl)c2ccccc2 7a_100000757616_100000185958 [0,1,0,0,0,0|3,0,0]=4 1285 B18R2.3990 OC(COc1cccnc1F)c2ccccc2 34a_100000061740_100000185958 [0,1,0,0,0,0|3,0,0]=4 1286 B18R2.3990 OC(COc1cccnc1F)c2ccccc2 7a_100000061740_100000185958 [0,1,0,0,0,0|3,0,0]=4 1287 B18R2.3990 OC(COc1cccnc1I)c2ccccc2 34a_100000034122_100000185958 [0,1,0,0,0,0|3,0,0]=4 1288 B18R2.3990 OC(COc1cccnc1I)c2ccccc2 7a_100000034122_100000185958 [0,1,0,0,0,0|3,0,0]=4 1289 B18R2.3990 OC(COc1ccncc1Br)c2ccccc2 34a_100011996408_100000185958 [0,1,0,0,0,0|3,0,0]=4 1290 B18R2.3990 OC(COc1ccncc1Cl)c2ccccc2 34a_100011997054_100000185958 [0,1,0,0,0,0|3,0,0]=4 1291 B18R2.3990 OC(COc1ccncc1F)c2ccccc2 34a_200000081243_100000185958 [0,1,0,0,0,0|3,0,0]=4 1292 B18R2.3990 OC(COc1cnccc1Cl)c2ccccc2 34a_100011996695_100000185958 [0,1,0,0,0,0|3,0,0]=4 1293 B18R2.3990 OC(COc1cnccc1I)c2ccccc2 34a_100000050107_100000185958 [0,1,0,0,0,0|3,0,0]=4 1294 B18R2.3990 OC(COc1ncccc1Cl)c2ccccc2 34a_100011290957_100000185958 [0,1,0,0,0,0|1,0,0]=2 1295 B18R2.3990 OC(COc1ncccc1F)c2ccccc2 34a_100011219419_100000185958 [0,1,0,0,0,0|1,0,0]=2 1296 B18R2.3990 OC(CSc1c[nH]ccc1=S)c2ccccc2 62a_100000185958_200012280681 [0,1,0,0,0,0|3,0,0]=4 1297 B18R2.3990 OC(CSc1c[nH]ccc1=S)c2ccccc2 62a_200012280681_100000185958 [0,1,0,0,0,0|3,0,0]=4 1298 B18R2.3990 OC(CSc1ccccc1Br)c2ccccc2 62a_100000185958_100000695589 [0,1,0,0,0,0|2,0,0]=3 1299 B18R2.3990 OC(CSc1ccccc1Br)c2ccccc2 62a_100000695589_100000185958 [0,1,0,0,0,0|2,0,0]=3 1300 B18R2.3990 OC(CSc1ccccc1Cl)c2ccccc2 62a_100000185958_100000764095 [0,1,0,0,0,0|2,0,0]=3 1301 B18R2.3990 OC(CSc1ccccc1Cl)c2ccccc2 62a_100000764095_100000185958 [0,1,0,0,0,0|2,0,0]=3 1302 B18R2.3990 OC(CSc1ccccc1F)c2ccccc2 62a_100000185958_100011215700 [0,1,0,0,0,0|2,0,0]=3 1303 B18R2.3990 OC(CSc1ccccc1F)c2ccccc2 62a_100011215700_100000185958 [0,1,0,0,0,0|2,0,0]=3 1304 B18R2.3990 OC(CSc1cccnc1Br)c2ccccc2 62a_100000185958_100010202626 [0,1,0,0,0,0|3,0,0]=4 1305 B18R2.3990 OC(CSc1cccnc1Br)c2ccccc2 62a_100010202626_100000185958 [0,1,0,0,0,0|3,0,0]=4 1306 B18R2.3990 OC(CSc1cccnc1Cl)c2ccccc2 62a_100000036424_100000185958 [0,1,0,0,0,0|3,0,0]=4 1307 B18R2.3990 OC(CSc1cccnc1Cl)c2ccccc2 62a_100000185958_100000036424 [0,1,0,0,0,0|3,0,0]=4 1308 B18R2.3990 OC(CSc1cccnc1F)c2ccccc2 62a_100000185958_100009816115 [0,1,0,0,0,0|3,0,0]=4 1309 B18R2.3990 OC(CSc1cccnc1F)c2ccccc2 62a_100009816115_100000185958 [0,1,0,0,0,0|3,0,0]=4 1310 B18R2.3990 OC(CSc1ccncc1Br)c2ccccc2 62a_100000185958_100000726257 [0,1,0,0,0,0|3,0,0]=4 1311 B18R2.3990 OC(CSc1ccncc1Br)c2ccccc2 62a_100000726257_100000185958 [0,1,0,0,0,0|3,0,0]=4 1312 B18R2.3990 OC(CSc1ccncc1Cl)c2ccccc2 62a_100000185958_100000708259 [0,1,0,0,0,0|3,0,0]=4 1313 B18R2.3990 OC(CSc1ccncc1Cl)c2ccccc2 62a_100000708259_100000185958 [0,1,0,0,0,0|3,0,0]=4 1314 B18R2.3990 OC(CSc1ccncc1F)c2ccccc2 62a_100000047030_100000185958 [0,1,0,0,0,0|3,0,0]=4 1315 B18R2.3990 OC(CSc1ccncc1F)c2ccccc2 62a_100000185958_100000047030 [0,1,0,0,0,0|3,0,0]=4 1316 B18R2.3990 OC(CSc1cnccc1Br)c2ccccc2 62a_100000185958_100010138639 [0,1,0,0,0,0|3,0,0]=4 1317 B18R2.3990 OC(CSc1cnccc1Br)c2ccccc2 62a_100010138639_100000185958 [0,1,0,0,0,0|3,0,0]=4 1318 B18R2.3990 OC(CSc1cnccc1Cl)c2ccccc2 62a_100000185958_100009995489 [0,1,0,0,0,0|3,0,0]=4 1319 B18R2.3990 OC(CSc1cnccc1Cl)c2ccccc2 62a_100009995489_100000185958 [0,1,0,0,0,0|3,0,0]=4 1320 B18R2.3990 OC(CSc1cnccc1F)c2ccccc2 62a_100000185958_100009820683 [0,1,0,0,0,0|3,0,0]=4 1321 B18R2.3990 OC(CSc1cnccc1F)c2ccccc2 62a_100009820683_100000185958 [0,1,0,0,0,0|3,0,0]=4 1322 B18R2.3990 OC(CSc1ncccc1Br)c2ccccc2 62a_100000185958_100000696092 [0,1,0,0,0,0|1,0,0]=2 1323 B18R2.3990 OC(CSc1ncccc1Br)c2ccccc2 62a_100000696092_100000185958 [0,1,0,0,0,0|1,0,0]=2 1324 B18R2.3990 OC(CSc1ncccc1Cl)c2ccccc2 62a_100000185958_100011356963 [0,1,0,0,0,0|1,0,0]=2 1325 B18R2.3990 OC(CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100000185958 [0,1,0,0,0,0|1,0,0]=2 1326 B18R2.3990 OC(CSc1ncccc1F)c2ccccc2 62a_100000185958_100000685392 [0,1,0,0,0,0|1,0,0]=2 1327 B18R2.3990 OC(CSc1ncccc1F)c2ccccc2 62a_100000685392_100000185958 [0,1,0,0,0,0|1,0,0]=2 1328 B18R2.3990 OC(CSc1nccnc1Cl)c2ccccc2 62a_100000185958_100010886584 [0,1,0,0,0,0|2,0,0]=3 1329 B18R2.3990 OC(CSc1nccnc1Cl)c2ccccc2 62a_100010886584_100000185958 [0,1,0,0,0,0|2,0,0]=3 1330 B18R2.3990 OC(CSc1nccnc1F)c2ccccc2 62a_100000185958_200010125657 [0,1,0,0,0,0|2,0,0]=3 1331 B18R2.3990 OC(CSc1nccnc1F)c2ccccc2 62a_200010125657_100000185958 [0,1,0,0,0,0|2,0,0]=3 1332 B18R2.3990 OC(CSc1ncncc1F)c2ccccc2 62a_100000069762_100000185958 [0,1,0,0,0,0|2,0,0]=3 1333 B18R2.3990 OC(CSc1ncncc1F)c2ccccc2 62a_100000185958_100000069762 [0,1,0,0,0,0|2,0,0]=3 1334 B18R2.3990 O[C@H](CNc1ccccc1Br)c2ccccc2 34a_100000210017_100011933945 [0,1,0,0,0,0|1,0,0]=2 1335 B18R2.3990 O[C@H](CNc1ccccc1Cl)c2ccccc2 34a_100000185783_100011933945 [0,1,0,0,0,0|1,0,0]=2 1336 B18R2.3990 O[C@H](CNc1ccccc1F)c2ccccc2 34a_100000210422_100011933945 [0,1,0,0,0,0|1,0,0]=2 1337 B18R2.3990 O[C@H](CNc1ccccc1I)c2ccccc2 34a_100000210053_100011933945 [0,1,0,0,0,0|1,0,0]=2 1338 B18R2.3990 O[C@H](COc1ccccc1Br)c2ccccc2 34a_100000181306_100011933945 [0,1,0,0,0,0|2,0,0]=3 1339 B18R2.3990 O[C@H](COc1ccccc1Br)c2ccccc2 7a_100000181306_100011933945 [0,1,0,0,0,0|2,0,0]=3 1340 B18R2.3990 O[C@H](COc1ccccc1Cl)c2ccccc2 34a_100000210172_100011933945 [0,1,0,0,0,0|2,0,0]=3 1341 B18R2.3990 O[C@H](COc1ccccc1Cl)c2ccccc2 7a_100000210172_100011933945 [0,1,0,0,0,0|2,0,0]=3 1342 B18R2.3990 O[C@H](COc1ccccc1F)c2ccccc2 34a_100000210171_100011933945 [0,1,0,0,0,0|2,0,0]=3 1343 B18R2.3990 O[C@H](COc1ccccc1F)c2ccccc2 7a_100000210171_100011933945 [0,1,0,0,0,0|2,0,0]=3 1344 B18R2.3990 O[C@H](COc1ccccc1I)c2ccccc2 34a_100000739446_100011933945 [0,1,0,0,0,0|2,0,0]=3 1345 B18R2.3990 O[C@H](COc1ccccc1I)c2ccccc2 7a_100000739446_100011933945 [0,1,0,0,0,0|2,0,0]=3 1346 B18R2.3990 O[C@H](COc1cccnc1Br)c2ccccc2 34a_100000744436_100011933945 [0,1,0,0,0,0|3,0,0]=4 1347 B18R2.3990 O[C@H](COc1cccnc1Br)c2ccccc2 7a_100000744436_100011933945 [0,1,0,0,0,0|3,0,0]=4 1348 B18R2.3990 O[C@H](COc1cccnc1Cl)c2ccccc2 34a_100000757616_100011933945 [0,1,0,0,0,0|3,0,0]=4 1349 B18R2.3990 O[C@H](COc1cccnc1Cl)c2ccccc2 7a_100000757616_100011933945 [0,1,0,0,0,0|3,0,0]=4 1350 B18R2.3990 O[C@H](COc1cccnc1F)c2ccccc2 34a_100000061740_100011933945 [0,1,0,0,0,0|3,0,0]=4 1351 B18R2.3990 O[C@H](COc1cccnc1F)c2ccccc2 7a_100000061740_100011933945 [0,1,0,0,0,0|3,0,0]=4 1352 B18R2.3990 O[C@H](COc1cccnc1I)c2ccccc2 34a_100000034122_100011933945 [0,1,0,0,0,0|3,0,0]=4 1353 B18R2.3990 O[C@H](COc1cccnc1I)c2ccccc2 7a_100000034122_100011933945 [0,1,0,0,0,0|3,0,0]=4 1354 B18R2.3990 O[C@H](COc1ccncc1Br)c2ccccc2 34a_100011996408_100011933945 [0,1,0,0,0,0|3,0,0]=4 1355 B18R2.3990 O[C@H](COc1ccncc1Cl)c2ccccc2 34a_100011997054_100011933945 [0,1,0,0,0,0|3,0,0]=4 1356 B18R2.3990 O[C@H](COc1ccncc1F)c2ccccc2 34a_200000081243_100011933945 [0,1,0,0,0,0|3,0,0]=4 1357 B18R2.3990 O[C@H](COc1cnccc1Cl)c2ccccc2 34a_100011996695_100011933945 [0,1,0,0,0,0|3,0,0]=4 1358 B18R2.3990 O[C@H](COc1cnccc1I)c2ccccc2 34a_100000050107_100011933945 [0,1,0,0,0,0|3,0,0]=4 1359 B18R2.3990 O[C@H](COc1ncccc1Cl)c2ccccc2 34a_100011290957_100011933945 [0,1,0,0,0,0|1,0,0]=2 1360 B18R2.3990 O[C@H](COc1ncccc1F)c2ccccc2 34a_100011219419_100011933945 [0,1,0,0,0,0|1,0,0]=2 1361 B18R2.3990 O[C@H](CSc1c[nH]ccc1=S)c2ccccc2 62a_100011933945_200012280681 [0,1,0,0,0,0|3,0,0]=4 1362 B18R2.3990 O[C@H](CSc1c[nH]ccc1=S)c2ccccc2 62a_200012280681_100011933945 [0,1,0,0,0,0|3,0,0]=4 1363 B18R2.3990 O[C@H](CSc1ccccc1Br)c2ccccc2 62a_100000695589_100011933945 [0,1,0,0,0,0|2,0,0]=3 1364 B18R2.3990 O[C@H](CSc1ccccc1Br)c2ccccc2 62a_100011933945_100000695589 [0,1,0,0,0,0|2,0,0]=3 1365 B18R2.3990 O[C@H](CSc1ccccc1Cl)c2ccccc2 62a_100000764095_100011933945 [0,1,0,0,0,0|2,0,0]=3 1366 B18R2.3990 O[C@H](CSc1ccccc1Cl)c2ccccc2 62a_100011933945_100000764095 [0,1,0,0,0,0|2,0,0]=3 1367 B18R2.3990 O[C@H](CSc1ccccc1F)c2ccccc2 62a_100011215700_100011933945 [0,1,0,0,0,0|2,0,0]=3 1368 B18R2.3990 O[C@H](CSc1ccccc1F)c2ccccc2 62a_100011933945_100011215700 [0,1,0,0,0,0|2,0,0]=3 1369 B18R2.3990 O[C@H](CSc1cccnc1Br)c2ccccc2 62a_100010202626_100011933945 [0,1,0,0,0,0|3,0,0]=4 1370 B18R2.3990 O[C@H](CSc1cccnc1Br)c2ccccc2 62a_100011933945_100010202626 [0,1,0,0,0,0|3,0,0]=4 1371 B18R2.3990 O[C@H](CSc1cccnc1Cl)c2ccccc2 62a_100000036424_100011933945 [0,1,0,0,0,0|3,0,0]=4 1372 B18R2.3990 O[C@H](CSc1cccnc1Cl)c2ccccc2 62a_100011933945_100000036424 [0,1,0,0,0,0|3,0,0]=4 1373 B18R2.3990 O[C@H](CSc1cccnc1F)c2ccccc2 62a_100009816115_100011933945 [0,1,0,0,0,0|3,0,0]=4 1374 B18R2.3990 O[C@H](CSc1cccnc1F)c2ccccc2 62a_100011933945_100009816115 [0,1,0,0,0,0|3,0,0]=4 1375 B18R2.3990 O[C@H](CSc1ccncc1Br)c2ccccc2 62a_100000726257_100011933945 [0,1,0,0,0,0|3,0,0]=4 1376 B18R2.3990 O[C@H](CSc1ccncc1Br)c2ccccc2 62a_100011933945_100000726257 [0,1,0,0,0,0|3,0,0]=4 1377 B18R2.3990 O[C@H](CSc1ccncc1Cl)c2ccccc2 62a_100000708259_100011933945 [0,1,0,0,0,0|3,0,0]=4 1378 B18R2.3990 O[C@H](CSc1ccncc1Cl)c2ccccc2 62a_100011933945_100000708259 [0,1,0,0,0,0|3,0,0]=4 1379 B18R2.3990 O[C@H](CSc1ccncc1F)c2ccccc2 62a_100000047030_100011933945 [0,1,0,0,0,0|3,0,0]=4 1380 B18R2.3990 O[C@H](CSc1ccncc1F)c2ccccc2 62a_100011933945_100000047030 [0,1,0,0,0,0|3,0,0]=4 1381 B18R2.3990 O[C@H](CSc1cnccc1Br)c2ccccc2 62a_100010138639_100011933945 [0,1,0,0,0,0|3,0,0]=4 1382 B18R2.3990 O[C@H](CSc1cnccc1Br)c2ccccc2 62a_100011933945_100010138639 [0,1,0,0,0,0|3,0,0]=4 1383 B18R2.3990 O[C@H](CSc1cnccc1Cl)c2ccccc2 62a_100009995489_100011933945 [0,1,0,0,0,0|3,0,0]=4 1384 B18R2.3990 O[C@H](CSc1cnccc1Cl)c2ccccc2 62a_100011933945_100009995489 [0,1,0,0,0,0|3,0,0]=4 1385 B18R2.3990 O[C@H](CSc1cnccc1F)c2ccccc2 62a_100009820683_100011933945 [0,1,0,0,0,0|3,0,0]=4 1386 B18R2.3990 O[C@H](CSc1cnccc1F)c2ccccc2 62a_100011933945_100009820683 [0,1,0,0,0,0|3,0,0]=4 1387 B18R2.3990 O[C@H](CSc1ncccc1Br)c2ccccc2 62a_100000696092_100011933945 [0,1,0,0,0,0|1,0,0]=2 1388 B18R2.3990 O[C@H](CSc1ncccc1Br)c2ccccc2 62a_100011933945_100000696092 [0,1,0,0,0,0|1,0,0]=2 1389 B18R2.3990 O[C@H](CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100011933945 [0,1,0,0,0,0|1,0,0]=2 1390 B18R2.3990 O[C@H](CSc1ncccc1Cl)c2ccccc2 62a_100011933945_100011356963 [0,1,0,0,0,0|1,0,0]=2 1391 B18R2.3990 O[C@H](CSc1ncccc1F)c2ccccc2 62a_100000685392_100011933945 [0,1,0,0,0,0|1,0,0]=2 1392 B18R2.3990 O[C@H](CSc1ncccc1F)c2ccccc2 62a_100011933945_100000685392 [0,1,0,0,0,0|1,0,0]=2 1393 B18R2.3990 O[C@H](CSc1nccnc1Cl)c2ccccc2 62a_100010886584_100011933945 [0,1,0,0,0,0|2,0,0]=3 1394 B18R2.3990 O[C@H](CSc1nccnc1Cl)c2ccccc2 62a_100011933945_100010886584 [0,1,0,0,0,0|2,0,0]=3 1395 B18R2.3990 O[C@H](CSc1nccnc1F)c2ccccc2 62a_100011933945_200010125657 [0,1,0,0,0,0|2,0,0]=3 1396 B18R2.3990 O[C@H](CSc1nccnc1F)c2ccccc2 62a_200010125657_100011933945 [0,1,0,0,0,0|2,0,0]=3 1397 B18R2.3990 O[C@H](CSc1ncncc1F)c2ccccc2 62a_100000069762_100011933945 [0,1,0,0,0,0|2,0,0]=3 1398 B18R2.3990 O[C@H](CSc1ncncc1F)c2ccccc2 62a_100011933945_100000069762 [0,1,0,0,0,0|2,0,0]=3 1399 B18R2.3990 Oc1ccccc1NCC(O)c2ccccc2 34a_100000185747_100000185958 [0,1,0,0,0,0|1,0,0]=2 1400 B18R2.3990 Oc1ccccc1NC[C@@H](O)c2ccccc2 34a_100000185747_100011933945 [0,1,0,0,0,0|1,0,0]=2 1401 B18R2.3990 Oc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000739446 [0,1,0,0,0,0|2,0,0]=3 1402 B18R2.3990 Oc1ccccc1SCC(O)c2ccccc2 62a_100000739446_100000185958 [0,1,0,0,0,0|2,0,0]=3 1403 B18R2.3990 Oc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000739446_100011933945 [0,1,0,0,0,0|2,0,0]=3 1404 B18R2.3990 Oc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000739446 [0,1,0,0,0,0|2,0,0]=3 1405 B18R2.3990 Oc1cccnc1SCC(O)c2ccccc2 62a_100000034122_100000185958 [0,1,0,0,0,0|1,0,0]=2 1406 B18R2.3990 Oc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100000034122 [0,1,0,0,0,0|1,0,0]=2 1407 B18R2.3990 Oc1cccnc1SC[C@@H](O)c2ccccc2 62a_100000034122_100011933945 [0,1,0,0,0,0|1,0,0]=2 1408 B18R2.3990 Oc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000034122 [0,1,0,0,0,0|1,0,0]=2 1409 B18R2.3990 Oc1cnccc1SCC(O)c2ccccc2 62a_100000185958_100009817591 [0,1,0,0,0,0|3,0,0]=4 1410 B18R2.3990 Oc1cnccc1SCC(O)c2ccccc2 62a_100009817591_100000185958 [0,1,0,0,0,0|3,0,0]=4 1411 B18R2.3990 Oc1cnccc1SC[C@@H](O)c2ccccc2 62a_100009817591_100011933945 [0,1,0,0,0,0|3,0,0]=4 1412 B18R2.3990 Oc1cnccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100009817591 [0,1,0,0,0,0|3,0,0]=4 1413 B18R2.3990 Oc1ncccc1SCC(O)c2ccccc2 62a_100000185958_100000760158 [0,1,0,0,0,0|3,0,0]=4 1414 B18R2.3990 Oc1ncccc1SCC(O)c2ccccc2 62a_100000760158_100000185958 [0,1,0,0,0,0|3,0,0]=4 1415 B18R2.3990 Oc1ncccc1SC[C@@H](O)c2ccccc2 62a_100000760158_100011933945 [0,1,0,0,0,0|3,0,0]=4 1416 B18R2.3990 Oc1ncccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000760158 [0,1,0,0,0,0|3,0,0]=4 1417 B18R2.3990 [O-][n+]1ccccc1OCC(O)c2ccccc2 7a_100000211761_100000185958 [0,1,0,0,0,0|1,0,1]=3 1418 B18R2.3990 [O-][n+]1ccccc1OC[C@@H](O)c2ccccc2 7a_100000211761_100011933945 [0,1,0,0,0,0|1,0,1]=3 1419 B18R2.3990 [O-][n+]1ccccc1SCC(O)c2ccccc2 62a_100000185958_200000042595 [0,1,0,0,0,0|1,0,1]=3 1420 B18R2.3990 [O-][n+]1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_200000042595 [0,1,0,0,0,0|1,0,1]=3 1421 B18R2.4001 CC(=NNc1ccccn1)c2ccccc2Br 4a_100000183288_100000187085 [0,1,0,0,0,0|2,0,1]=4 1422 B18R2.4001 CC(=NNc1ccccn1)c2ccccc2C 4a_100000183288_100000211656 [0,1,0,0,0,0|2,0,1]=4 1423 B18R2.4001 CC(=NNc1ccccn1)c2ccccc2Cl 4a_100000183288_100000210134 [0,1,0,0,0,0|2,0,1]=4 1424 B18R2.4001 CC(=NNc1ccccn1)c2ccccc2F 4a_100000183288_100000210632 [0,1,0,0,0,0|2,0,1]=4 1425 B18R2.4001 CC(=NNc1ccccn1)c2ccccc2I 4a_100000183288_100000751169 [0,1,0,0,0,0|2,0,1]=4 1426 B18R2.4001 CC(=NNc1ccccn1)c2ccccc2O 4a_100000183288_100000188907 [0,1,0,0,0,0|2,0,1]=4 1427 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Br 207a_100000181357_100000209966 [0,1,0,0,0,0|3,0,0]=4 1428 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Br 2230a_100000181357_100000721315 [0,1,0,0,0,0|3,0,0]=4 1429 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Br 270004a_100000181357_100000209966 [0,1,0,0,0,0|3,0,0]=4 1430 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Cl 207a_100000174978_100000209966 [0,1,0,0,0,0|3,0,0]=4 1431 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Cl 2230a_100000174978_100000721315 [0,1,0,0,0,0|3,0,0]=4 1432 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Cl 270004a_100000174978_100000209966 [0,1,0,0,0,0|3,0,0]=4 1433 B18R2.4001 CC(NCc1ccccn1)c2ccccc2Cl 34a_100000174978_100000721315 [0,1,0,0,0,0|3,0,0]=4 1434 B18R2.4001 CC(NCc1ccccn1)c2ccccc2F 207a_100000181408_100000209966 [0,1,0,0,0,0|3,0,0]=4 1435 B18R2.4001 CC(NCc1ccccn1)c2ccccc2F 2230a_100000181408_100000721315 [0,1,0,0,0,0|3,0,0]=4 1436 B18R2.4001 CC(NCc1ccccn1)c2ccccc2F 270004a_100000181408_100000209966 [0,1,0,0,0,0|3,0,0]=4 1437 B18R2.4001 CC(NCc1ccccn1)c2ccccc2F 34a_100000181408_100000721315 [0,1,0,0,0,0|3,0,0]=4 1438 B18R2.4001 CC(OCc1ccccn1)c2ccccc2Br 34a_100000702211_100000721315 [0,1,0,0,0,0|3,0,0]=4 1439 B18R2.4001 CC(OCc1ccccn1)c2ccccc2Br 7a_100000702211_100000721315 [0,1,0,0,0,0|3,0,0]=4 1440 B18R2.4001 CC(OCc1ccccn1)c2ccccc2Cl 34a_100000740796_100000721315 [0,1,0,0,0,0|3,0,0]=4 1441 B18R2.4001 CC(OCc1ccccn1)c2ccccc2Cl 7a_100000740796_100000721315 [0,1,0,0,0,0|3,0,0]=4 1442 B18R2.4001 CC(OCc1ccccn1)c2ccccc2F 34a_100000697922_100000721315 [0,1,0,0,0,0|3,0,0]=4 1443 B18R2.4001 CC(OCc1ccccn1)c2ccccc2F 7a_100000697922_100000721315 [0,1,0,0,0,0|3,0,0]=4 1444 B18R2.4001 CC(OCc1ccccn1)c2ccccc2N 7a_100011405641_100000721315 [0,1,0,0,0,0|3,0,0]=4 1445 B18R2.4001 CC(SCc1ccccn1)c2ccccc2Cl 62a_100000181259_100000721315 [0,1,0,0,0,0|3,0,0]=4 1446 B18R2.4001 CC(SCc1ccccn1)c2ccccc2Cl 62a_100000721315_100000181259 [0,1,0,0,0,0|3,0,0]=4 1447 B18R2.4001 CC(SCc1ccccn1)c2ccccc2F 62a_100000721315_200000741388 [0,1,0,0,0,0|3,0,0]=4 1448 B18R2.4001 CC(SCc1ccccn1)c2ccccc2F 62a_200000741388_100000721315 [0,1,0,0,0,0|3,0,0]=4 1449 B18R2.4001 CN(CCc1ccccn1)c2ccccc2Br 2230a_100020606079_100015183660 [0,1,0,0,0,0|3,0,0]=4 1450 B18R2.4001 CN(CCc1ccccn1)c2ccccc2Br 269982a_100020606079_100015183660 [0,1,0,0,0,0|3,0,0]=4 1451 B18R2.4001 CN(CCc1ccccn1)c2ccccc2Cl 2230a_100000219374_100015183660 [0,1,0,0,0,0|3,0,0]=4 1452 B18R2.4001 CN(CCc1ccccn1)c2ccccc2Cl 269982a_100000219374_100015183660 [0,1,0,0,0,0|3,0,0]=4 1453 B18R2.4001 CN(CCc1ccccn1)c2ccccc2F 2230a_100000220357_100015183660 [0,1,0,0,0,0|3,0,0]=4 1454 B18R2.4001 CN(CCc1ccccn1)c2ccccc2F 269982a_100000220357_100015183660 [0,1,0,0,0,0|3,0,0]=4 1455 B18R2.4001 CN(CCc1ccccn1)c2ccccc2F 38a_100000220357_100015183660 [0,1,0,0,0,0|3,0,0]=4 1456 B18R2.4001 CN(CCc1ccccn1)c2ccccc2O 269982a_100000033821_100015183660 [0,1,0,0,0,0|3,0,0]=4 1457 B18R2.4001 C[C@@H](NCc1ccccn1)c2ccccc2O 2230a_100025703389_100000721315 [0,1,0,0,0,0|3,0,0]=4 1458 B18R2.4001 C[C@@H](NCc1ccccn1)c2ccccc2O 270004a_100025703389_100000209966 [0,1,0,0,0,0|3,0,0]=4 1459 B18R2.4001 Cc1ccccc1C(=O)CCc2ccccn2 1458a_100000212026_100015183660 [0,1,0,0,0,0|1,0,2]=4 1460 B18R2.4001 Cc1ccccc1C(=O)CNc2ccccc2 34a_100000106764_100000741374 [0,1,0,0,0,0|1,0,2]=4 1461 B18R2.4001 Cc1ccccc1C(=O)CSc2ccccn2 62a_100000741374_100011216584 [0,1,0,0,0,0|1,0,2]=4 1462 B18R2.4001 Cc1ccccc1C(=O)CSc2ccccn2 62a_100011216584_100000741374 [0,1,0,0,0,0|1,0,2]=4 1463 B18R2.4001 Cc1ccccc1C(=O)NNc2ccccn2 22a_100000183288_100000212026 [0,1,0,0,0,0|1,0,2]=4 1464 B18R2.4001 Cc1ccccc1C(C)NCc2ccccn2 207a_100000181355_100000209966 [0,1,0,0,0,0|3,0,0]=4 1465 B18R2.4001 Cc1ccccc1C(C)NCc2ccccn2 2230a_100000181355_100000721315 [0,1,0,0,0,0|3,0,0]=4 1466 B18R2.4001 Cc1ccccc1C(C)NCc2ccccn2 270004a_100000181355_100000209966 [0,1,0,0,0,0|3,0,0]=4 1467 B18R2.4001 Cc1ccccc1C(C)NCc2ccccn2 34a_100000181355_100000721315 [0,1,0,0,0,0|3,0,0]=4 1468 B18R2.4001 Cc1ccccc1C(C)OCc2ccccn2 34a_100000742021_100000721315 [0,1,0,0,0,0|3,0,0]=4 1469 B18R2.4001 Cc1ccccc1C(C)OCc2ccccn2 7a_100000742021_100000721315 [0,1,0,0,0,0|3,0,0]=4 1470 B18R2.4001 Cc1ccccc1N(C)CCc2ccccn2 2230a_100000219699_100015183660 [0,1,0,0,0,0|3,0,0]=4 1471 B18R2.4001 Cc1ccccc1N(C)CCc2ccccn2 2230a_100018770996_200000210301 [0,1,0,0,0,0|3,0,0]=4 1472 B18R2.4001 Cc1ccccc1N(C)CCc2ccccn2 269982a_100000219699_100015183660 [0,1,0,0,0,0|3,0,0]=4 1473 B18R2.4001 Cc1ccccc1N(C)CCc2ccccn2 269982a_100018770996_200000210301 [0,1,0,0,0,0|3,0,0]=4 1474 B18R2.4001 Cc1ccccc1N(C)CCc2ccccn2 34a_100018770996_200000210301 [0,1,0,0,0,0|3,0,0]=4 1475 B18R2.4001 Cc1ccccc1N([13CH3])CCc2ccccn2 2230a_100018770996_200025704644 [0,1,0,0,0,0|3,0,0]=4 1476 B18R2.4001 Cc1ccccc1N([13CH3])CCc2ccccn2 269982a_100018770996_200025704644 [0,1,0,0,0,0|3,0,0]=4 1477 B18R2.4001 Cc1ccccc1N([13CH3])CCc2ccccn2 34a_100018770996_200025704644 [0,1,0,0,0,0|3,0,0]=4 1478 B18R2.4001 O=C(CCc1ccccn1)c2ccccc2Br 1458a_100000188424_100015183660 [0,1,0,0,0,0|1,0,2]=4 1479 B18R2.4001 O=C(CCc1ccccn1)c2ccccc2Cl 1458a_100000185844_100015183660 [0,1,0,0,0,0|1,0,2]=4 1480 B18R2.4001 O=C(CCc1ccccn1)c2ccccc2F 1458a_100000188656_100015183660 [0,1,0,0,0,0|1,0,2]=4 1481 B18R2.4001 O=C(CCc1ccccn1)c2ccccc2I 1458a_100000187884_100015183660 [0,1,0,0,0,0|1,0,2]=4 1482 B18R2.4001 O=C(CCc1ccccn1)c2ccccc2O 1458a_100015234032_100015183660 [0,1,0,0,0,0|1,0,2]=4 1483 B18R2.4001 O=C(CCc1ccccn1)c2ccccc2[O-] 1458a_100009911694_100015183660 [0,1,0,0,0,0|1,0,2]=4 1484 B18R2.4001 O=C(CNc1ccccc1)c2ccccc2Br 34a_100000106764_100000199116 [0,1,0,0,0,0|1,0,2]=4 1485 B18R2.4001 O=C(CNc1ccccc1)c2ccccc2Cl 34a_100000106764_100000211432 [0,1,0,0,0,0|1,0,2]=4 1486 B18R2.4001 O=C(CNc1ccccc1)c2ccccc2F 34a_100000106764_100000204681 [0,1,0,0,0,0|1,0,2]=4 1487 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2Br 62a_100000199116_100011216584 [0,1,0,0,0,0|1,0,2]=4 1488 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2Cl 62a_100000211432_100011216584 [0,1,0,0,0,0|1,0,2]=4 1489 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2Cl 62a_100011216584_100000211432 [0,1,0,0,0,0|1,0,2]=4 1490 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2F 62a_100000204681_100011216584 [0,1,0,0,0,0|1,0,2]=4 1491 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2F 62a_100011216584_100000204681 [0,1,0,0,0,0|1,0,2]=4 1492 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2O 62a_100000188908_100011216584 [0,1,0,0,0,0|1,0,2]=4 1493 B18R2.4001 O=C(CSc1ccccn1)c2ccccc2O 62a_100011216584_100000188908 [0,1,0,0,0,0|1,0,2]=4 1494 B18R2.4001 O=C(NNc1ccccn1)c2ccccc2Br 22a_100000183288_100000188424 [0,1,0,0,0,0|1,0,2]=4 1495 B18R2.4001 O=C(NNc1ccccn1)c2ccccc2Cl 22a_100000183288_100000185844 [0,1,0,0,0,0|1,0,2]=4 1496 B18R2.4001 O=C(NNc1ccccn1)c2ccccc2F 22a_100000183288_100000188656 [0,1,0,0,0,0|1,0,2]=4 1497 B18R2.4001 O=C(NNc1ccccn1)c2ccccc2I 22a_100000183288_100000187884 [0,1,0,0,0,0|1,0,2]=4 1498 B18R2.4001 O=C(NNc1ccccn1)c2ccccc2O 22a_100000183288_100015234032 [0,1,0,0,0,0|1,0,2]=4 1499 B18R2.4001 O=C(NNc1ccccn1)c2ccccc2[O-] 22a_100000183288_100009911694 [0,1,0,0,0,0|1,0,2]=4 1500 B18R2.4001 OC(CNc1cccnn1)c2ccccc2Br 27a_100011236429_100016991348 [0,1,0,0,0,0|1,0,0]=2 1501 B18R2.4001 OC(CNc1cccnn1)c2ccccc2Cl 27a_200000759403_100016991348 [0,1,0,0,0,0|1,0,0]=2 1502 B18R2.4001 OC(CNc1ccncn1)c2ccccc2Br 27a_100011236429_100000703185 [0,1,0,0,0,0|1,0,0]=2 1503 B18R2.4001 OC(CNc1ccncn1)c2ccccc2Cl 27a_200000759403_100000703185 [0,1,0,0,0,0|1,0,0]=2 1504 B18R2.4001 OC(CNc1cnccn1)c2ccccc2Br 27a_100011236429_100000211759 [0,1,0,0,0,0|1,0,0]=2 1505 B18R2.4001 OC(CNc1cnccn1)c2ccccc2Cl 27a_200000759403_100000211759 [0,1,0,0,0,0|1,0,0]=2 1506 B18R2.4001 OC(CNc1ncccn1)c2ccccc2Br 27a_100011236429_100000211032 [0,1,0,0,0,0|1,0,0]=2 1507 B18R2.4001 OC(CNc1ncccn1)c2ccccc2Cl 27a_200000759403_100000211032 [0,1,0,0,0,0|1,0,0]=2 1508 B18R2.6463 CC(=NNc1ccccn1)c2cccc(c2)Br 4a_100000183288_100000210093 [0,1,0,0,0,0|2,0,1]=4 1509 B18R2.6463 CC(=NNc1ccccn1)c2cccc(c2)C 4a_100000183288_100000211476 [0,1,0,0,0,0|2,0,1]=4 1510 B18R2.6463 CC(=NNc1ccccn1)c2cccc(c2)Cl 4a_100000183288_200000210964 [0,1,0,0,0,0|2,0,1]=4 1511 B18R2.6463 CC(=NNc1ccccn1)c2cccc(c2)F 4a_100000183288_100000187083 [0,1,0,0,0,0|2,0,1]=4 1512 B18R2.6463 CC(=NNc1ccccn1)c2cccc(c2)I 4a_100000183288_100011356966 [0,1,0,0,0,0|2,0,1]=4 1513 B18R2.6463 CC(=NNc1ccccn1)c2cccc(c2)O 4a_100000183288_100000211620 [0,1,0,0,0,0|2,0,1]=4 1514 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Br 207a_100020642005_100000209966 [0,1,0,0,0,0|3,0,0]=4 1515 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Br 2230a_100020642005_100000721315 [0,1,0,0,0,0|3,0,0]=4 1516 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Br 270004a_100020642005_100000209966 [0,1,0,0,0,0|3,0,0]=4 1517 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Cl 207a_100102723534_100000209966 [0,1,0,0,0,0|3,0,0]=4 1518 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Cl 2230a_100102723534_100000721315 [0,1,0,0,0,0|3,0,0]=4 1519 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Cl 270004a_100102723534_100000209966 [0,1,0,0,0,0|3,0,0]=4 1520 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)Cl 34a_100102723534_100000721315 [0,1,0,0,0,0|3,0,0]=4 1521 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)O 207a_100000740644_100000209966 [0,1,0,0,0,0|3,0,0]=4 1522 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)O 2230a_100000740644_100000721315 [0,1,0,0,0,0|3,0,0]=4 1523 B18R2.6463 CC(NCc1ccccn1)c2cccc(c2)O 270004a_100000740644_100000209966 [0,1,0,0,0,0|3,0,0]=4 1524 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)Br 34a_100000246457_100000721315 [0,1,0,0,0,0|3,0,0]=4 1525 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)Br 7a_100000246457_100000721315 [0,1,0,0,0,0|3,0,0]=4 1526 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)F 34a_100000744526_100000721315 [0,1,0,0,0,0|3,0,0]=4 1527 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)F 7a_100000744526_100000721315 [0,1,0,0,0,0|3,0,0]=4 1528 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)I 34a_100013085317_100000721315 [0,1,0,0,0,0|3,0,0]=4 1529 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)I 7a_100013085317_100000721315 [0,1,0,0,0,0|3,0,0]=4 1530 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)N 34a_100011217120_100000721315 [0,1,0,0,0,0|3,0,0]=4 1531 B18R2.6463 CC(OCc1ccccn1)c2cccc(c2)N 7a_100011217120_100000721315 [0,1,0,0,0,0|3,0,0]=4 1532 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)Br 2230a_100000219648_100015183660 [0,1,0,0,0,0|3,0,0]=4 1533 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)Br 269982a_100000219648_100015183660 [0,1,0,0,0,0|3,0,0]=4 1534 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)Cl 2230a_100000220044_100015183660 [0,1,0,0,0,0|3,0,0]=4 1535 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)Cl 269982a_100000220044_100015183660 [0,1,0,0,0,0|3,0,0]=4 1536 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)F 2230a_100020633736_100015183660 [0,1,0,0,0,0|3,0,0]=4 1537 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)F 269982a_100020633736_100015183660 [0,1,0,0,0,0|3,0,0]=4 1538 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)I 2230a_100000221217_100015183660 [0,1,0,0,0,0|3,0,0]=4 1539 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)I 269982a_100000221217_100015183660 [0,1,0,0,0,0|3,0,0]=4 1540 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)O 2230a_100000756613_100015183660 [0,1,0,0,0,0|3,0,0]=4 1541 B18R2.6463 CN(CCc1ccccn1)c2cccc(c2)O 269982a_100000756613_100015183660 [0,1,0,0,0,0|3,0,0]=4 1542 B18R2.6463 C[C@@H](NCc1ccccn1)c2cccc(c2)F 207a_100015193778_100000209966 [0,1,0,0,0,0|3,0,0]=4 1543 B18R2.6463 C[C@@H](NCc1ccccn1)c2cccc(c2)F 2230a_100015193778_100000721315 [0,1,0,0,0,0|3,0,0]=4 1544 B18R2.6463 C[C@@H](NCc1ccccn1)c2cccc(c2)F 270004a_100015193778_100000209966 [0,1,0,0,0,0|3,0,0]=4 1545 B18R2.6463 C[C@@H](NCc1ccccn1)c2cccc(c2)F 34a_100015193778_100000721315 [0,1,0,0,0,0|3,0,0]=4 1546 B18R2.6463 C[C@@H](OCc1ccccn1)c2cccc(c2)Cl 34a_100000747380_100000721315 [0,1,0,0,0,0|3,0,0]=4 1547 B18R2.6463 C[C@@H](OCc1ccccn1)c2cccc(c2)Cl 7a_100000747380_100000721315 [0,1,0,0,0,0|3,0,0]=4 1548 B18R2.6463 Cc1cccc(c1)C(=O)CCc2ccccn2 1458a_100000189346_100015183660 [0,1,0,0,0,0|1,0,2]=4 1549 B18R2.6463 Cc1cccc(c1)C(=O)CNc2ccccc2 34a_100000106764_100000739480 [0,1,0,0,0,0|1,0,2]=4 1550 B18R2.6463 Cc1cccc(c1)C(=O)CSc2ccccn2 62a_100000739480_100011216584 [0,1,0,0,0,0|1,0,2]=4 1551 B18R2.6463 Cc1cccc(c1)C(=O)CSc2ccccn2 62a_100011216584_100000739480 [0,1,0,0,0,0|1,0,2]=4 1552 B18R2.6463 Cc1cccc(c1)C(=O)NNc2ccccn2 22a_100000183288_100000189346 [0,1,0,0,0,0|1,0,2]=4 1553 B18R2.6463 Cc1cccc(c1)C(C)OCc2ccccn2 34a_100000757818_100000721315 [0,1,0,0,0,0|3,0,0]=4 1554 B18R2.6463 Cc1cccc(c1)C(C)OCc2ccccn2 7a_100000757818_100000721315 [0,1,0,0,0,0|3,0,0]=4 1555 B18R2.6463 Cc1cccc(c1)N(C)CCc2ccccn2 2230a_100000219674_100015183660 [0,1,0,0,0,0|3,0,0]=4 1556 B18R2.6463 Cc1cccc(c1)N(C)CCc2ccccn2 269982a_100000219674_100015183660 [0,1,0,0,0,0|3,0,0]=4 1557 B18R2.6463 Cc1cccc(c1)[C@@H](C)NCc2ccccn2 207a_100000698126_100000209966 [0,1,0,0,0,0|3,0,0]=4 1558 B18R2.6463 Cc1cccc(c1)[C@@H](C)NCc2ccccn2 2230a_100000698126_100000721315 [0,1,0,0,0,0|3,0,0]=4 1559 B18R2.6463 Cc1cccc(c1)[C@@H](C)NCc2ccccn2 270004a_100000698126_100000209966 [0,1,0,0,0,0|3,0,0]=4 1560 B18R2.6463 Cc1cccc(c1)[C@@H](C)NCc2ccccn2 34a_100000698126_100000721315 [0,1,0,0,0,0|3,0,0]=4 1561 B18R2.6463 O=C(CCc1ccccn1)c2cccc(c2)Br 1458a_100000210664_100015183660 [0,1,0,0,0,0|1,0,2]=4 1562 B18R2.6463 O=C(CCc1ccccn1)c2cccc(c2)Cl 1458a_100000210390_100015183660 [0,1,0,0,0,0|1,0,2]=4 1563 B18R2.6463 O=C(CCc1ccccn1)c2cccc(c2)F 1458a_100000210950_100015183660 [0,1,0,0,0,0|1,0,2]=4 1564 B18R2.6463 O=C(CCc1ccccn1)c2cccc(c2)I 1458a_100000184098_100015183660 [0,1,0,0,0,0|1,0,2]=4 1565 B18R2.6463 O=C(CCc1ccccn1)c2cccc(c2)O 1458a_100000183914_100015183660 [0,1,0,0,0,0|1,0,2]=4 1566 B18R2.6463 O=C(CNc1ccccc1)c2cccc(c2)Br 34a_100000106764_100000212080 [0,1,0,0,0,0|1,0,2]=4 1567 B18R2.6463 O=C(CNc1ccccc1)c2cccc(c2)Cl 34a_100000106764_100000211444 [0,1,0,0,0,0|1,0,2]=4 1568 B18R2.6463 O=C(CNc1ccccc1)c2cccc(c2)F 34a_100000106764_100000215616 [0,1,0,0,0,0|1,0,2]=4 1569 B18R2.6463 O=C(CNc1ccccc1)c2cccc(c2)O 34a_100000106764_100009813753 [0,1,0,0,0,0|1,0,2]=4 1570 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)Br 62a_100000212080_100011216584 [0,1,0,0,0,0|1,0,2]=4 1571 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)Br 62a_100011216584_100000212080 [0,1,0,0,0,0|1,0,2]=4 1572 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)Cl 62a_100000211444_100011216584 [0,1,0,0,0,0|1,0,2]=4 1573 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)Cl 62a_100011216584_100000211444 [0,1,0,0,0,0|1,0,2]=4 1574 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)F 62a_100000215616_100011216584 [0,1,0,0,0,0|1,0,2]=4 1575 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)F 62a_100011216584_100000215616 [0,1,0,0,0,0|1,0,2]=4 1576 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)O 62a_100009813753_100011216584 [0,1,0,0,0,0|1,0,2]=4 1577 B18R2.6463 O=C(CSc1ccccn1)c2cccc(c2)O 62a_100011216584_100009813753 [0,1,0,0,0,0|1,0,2]=4 1578 B18R2.6463 O=C(NNc1ccccn1)c2cccc(c2)Br 22a_100000183288_100000210664 [0,1,0,0,0,0|1,0,2]=4 1579 B18R2.6463 O=C(NNc1ccccn1)c2cccc(c2)Cl 22a_100000183288_100000210390 [0,1,0,0,0,0|1,0,2]=4 1580 B18R2.6463 O=C(NNc1ccccn1)c2cccc(c2)F 22a_100000183288_100000210950 [0,1,0,0,0,0|1,0,2]=4 1581 B18R2.6463 O=C(NNc1ccccn1)c2cccc(c2)I 22a_100000183288_100000184098 [0,1,0,0,0,0|1,0,2]=4 1582 B18R2.6463 O=C(NNc1ccccn1)c2cccc(c2)O 22a_100000183288_100000183914 [0,1,0,0,0,0|1,0,2]=4 1583 B18R2.6463 Oc1cccc(c1)C(O)CNc2cccnn2 27a_100020657549_100016991348 [0,1,0,0,0,0|1,0,0]=2 1584 B18R2.6463 Oc1cccc(c1)C(O)CNc2ccncn2 27a_100020657549_100000703185 [0,1,0,0,0,0|1,0,0]=2 1585 B18R2.6463 Oc1cccc(c1)C(O)CNc2cnccn2 27a_100020657549_100000211759 [0,1,0,0,0,0|1,0,0]=2 1586 B18R2.6463 Oc1cccc(c1)C(O)CNc2ncccn2 27a_100020657549_100000211032 [0,1,0,0,0,0|1,0,0]=2 1587 B18R2.6467 CC(=NNc1cc(ccn1)Br)c2ccccc2 4a_100000764631_100000185851 [0,1,0,0,0,0|2,0,1]=4 1588 B18R2.6467 CC(=NNc1cc(ccn1)C)c2ccccc2 4a_100000746014_100000185851 [0,1,0,0,0,0|2,0,1]=4 1589 B18R2.6467 CC(=NNc1cc(ccn1)Cl)c2ccccc2 4a_100102524961_100000185851 [0,1,0,0,0,0|2,0,1]=4 1590 B18R2.6467 CC(=NNc1cc(ccn1)I)c2ccccc2 4a_100010221011_100000185851 [0,1,0,0,0,0|2,0,1]=4 1591 B18R2.6467 CC(=NNc1cccc(n1)Br)c2ccccc2 4a_100009817029_100000185851 [0,1,0,0,0,0|2,0,1]=4 1592 B18R2.6467 CC(=NNc1cccc(n1)C)c2ccccc2 4a_100011363444_100000185851 [0,1,0,0,0,0|2,0,1]=4 1593 B18R2.6467 CC(=NNc1cccc(n1)Cl)c2ccccc2 4a_100102524919_100000185851 [0,1,0,0,0,0|2,0,1]=4 1594 B18R2.6467 CC(=NNc1cccc(n1)F)c2ccccc2 4a_100000075452_100000185851 [0,1,0,0,0,0|2,0,1]=4 1595 B18R2.6467 CC(CNc1c[n+](ccn1)[O-])c2ccccc2 27a_100000701038_100009880115 [0,1,0,0,0,0|2,0,0]=3 1596 B18R2.6467 CC(CNc1cc(ccn1)F)c2ccccc2 27a_100000701038_100000764206 [0,1,0,0,0,0|1,0,0]=2 1597 B18R2.6467 CC(CNc1cc(ncn1)F)c2ccccc2 27a_100000701038_200009880791 [0,1,0,0,0,0|2,0,0]=3 1598 B18R2.6467 CC(CNc1cc(ncn1)N)c2ccccc2 27a_100000701038_100000701291 [0,1,0,0,0,0|2,0,0]=3 1599 B18R2.6467 CC(CNc1cc(ncn1)O)c2ccccc2 27a_100000701038_100000765262 [0,1,0,0,0,0|2,0,0]=3 1600 B18R2.6467 CC(CNc1cc[nH]c(=O)c1)c2ccccc2 27a_100000701038_100000061649 [0,1,0,0,0,0|3,0,0]=4 1601 B18R2.6467 CC(CNc1cc[nH]c(=O)n1)c2ccccc2 27a_100000701038_200000134032 [0,1,0,0,0,0|2,0,0]=3 1602 B18R2.6467 CC(CNc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000756946 [0,1,0,0,0,0|2,0,0]=3 1603 B18R2.6467 CC(CNc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000756946 [0,1,0,0,0,0|2,0,0]=3 1604 B18R2.6467 CC(CNc1cccc(c1)F)c2ccccc2 34a_100000210047_100000756946 [0,1,0,0,0,0|2,0,0]=3 1605 B18R2.6467 CC(CNc1cccc(c1)I)c2ccccc2 34a_100000211102_100000756946 [0,1,0,0,0,0|2,0,0]=3 1606 B18R2.6467 CC(CNc1cccc(c1)O)c2ccccc2 34a_100000210217_100000756946 [0,1,0,0,0,0|2,0,0]=3 1607 B18R2.6467 CC(CNc1cccc(n1)F)c2ccccc2 27a_100000701038_100009815982 [0,1,0,0,0,0|1,0,0]=2 1608 B18R2.6467 CC(CNc1ccnc(c1)F)c2ccccc2 27a_100000701038_100009816116 [0,1,0,0,0,0|3,0,0]=4 1609 B18R2.6467 CC(CNc1ccnc(n1)N)c2ccccc2 27a_100000701038_100000055538 [0,1,0,0,0,0|2,0,0]=3 1610 B18R2.6467 CC(CNc1cncc(n1)Cl)c2ccccc2 27a_100000701038_100010892449 [0,1,0,0,0,0|2,0,0]=3 1611 B18R2.6467 CC(CNc1cncc(n1)F)c2ccccc2 27a_100000701038_200009863489 [0,1,0,0,0,0|2,0,0]=3 1612 B18R2.6467 CC(CNc1nccc(n1)N)c2ccccc2 27a_100000701038_100000757536 [0,1,0,0,0,0|2,0,0]=3 1613 B18R2.6467 CC(CNc1nccc(n1)O)c2ccccc2 27a_100000701038_100011649813 [0,1,0,0,0,0|2,0,0]=3 1614 B18R2.6467 CC(CNc1ncnc(n1)N)c2ccccc2 27a_100000701038_100000123831 [0,1,0,0,0,0|3,0,0]=4 1615 B18R2.6467 CC(COc1cccc(=O)[nH]1)c2ccccc2 34a_100000033347_100000756946 [0,1,0,0,0,0|2,0,1]=4 1616 B18R2.6467 CC(COc1cccc(c1)Br)c2ccccc2 34a_100000210342_100000756946 [0,1,0,0,0,0|3,0,0]=4 1617 B18R2.6467 CC(COc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000756946 [0,1,0,0,0,0|3,0,0]=4 1618 B18R2.6467 CC(COc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100000756946 [0,1,0,0,0,0|3,0,0]=4 1619 B18R2.6467 CC(COc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000756946 [0,1,0,0,0,0|3,0,0]=4 1620 B18R2.6467 CC(COc1cccc(c1)F)c2ccccc2 34a_100000210426_100000756946 [0,1,0,0,0,0|3,0,0]=4 1621 B18R2.6467 CC(COc1cccc(c1)F)c2ccccc2 7a_100000210426_100000756946 [0,1,0,0,0,0|3,0,0]=4 1622 B18R2.6467 CC(COc1cccc(c1)I)c2ccccc2 34a_100000211634_100000756946 [0,1,0,0,0,0|3,0,0]=4 1623 B18R2.6467 CC(COc1cccc(c1)I)c2ccccc2 7a_100000211634_100000756946 [0,1,0,0,0,0|3,0,0]=4 1624 B18R2.6467 CC(COc1cccc(c1)N)c2ccccc2 34a_100000210217_100000756946 [0,1,0,0,0,0|3,0,0]=4 1625 B18R2.6467 CC(COc1cccc(n1)F)c2ccccc2 34a_100011432558_100000756946 [0,1,0,0,0,0|2,0,0]=3 1626 B18R2.6467 CC(CSc1c[n+](ccn1)[O-])c2ccccc2 62a_100000756946_100009880115 [0,1,0,0,0,0|3,0,0]=4 1627 B18R2.6467 CC(CSc1cc(=O)[nH]cn1)c2ccccc2 62a_100012002517_100000756946 [0,1,0,0,0,0|3,0,0]=4 1628 B18R2.6467 CC(CSc1cc(=O)cc[nH]1)c2ccccc2 62a_100009817434_100000756946 [0,1,0,0,0,0|2,0,1]=4 1629 B18R2.6467 CC(CSc1cc(ccn1)Cl)c2ccccc2 62a_100000756946_100010167805 [0,1,0,0,0,0|2,0,0]=3 1630 B18R2.6467 CC(CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000756946 [0,1,0,0,0,0|2,0,0]=3 1631 B18R2.6467 CC(CSc1cc(ccn1)F)c2ccccc2 62a_100000756946_100000764206 [0,1,0,0,0,0|2,0,0]=3 1632 B18R2.6467 CC(CSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000756946 [0,1,0,0,0,0|2,0,0]=3 1633 B18R2.6467 CC(CSc1cc(ccn1)N)c2ccccc2 62a_100000756946_100009814236 [0,1,0,0,0,0|2,0,0]=3 1634 B18R2.6467 CC(CSc1cc(ccn1)N)c2ccccc2 62a_100009814236_100000756946 [0,1,0,0,0,0|2,0,0]=3 1635 B18R2.6467 CC(CSc1cc(ccn1)O)c2ccccc2 62a_100000756946_100000762945 [0,1,0,0,0,0|2,0,0]=3 1636 B18R2.6467 CC(CSc1cc(cnn1)N)c2ccccc2 62a_100000756946_100011996757 [0,1,0,0,0,0|3,0,0]=4 1637 B18R2.6467 CC(CSc1cc(cnn1)N)c2ccccc2 62a_100011996757_100000756946 [0,1,0,0,0,0|3,0,0]=4 1638 B18R2.6467 CC(CSc1cc(cnn1)O)c2ccccc2 62a_100000756946_200010734679 [0,1,0,0,0,0|3,0,0]=4 1639 B18R2.6467 CC(CSc1cc(ncn1)Cl)c2ccccc2 62a_100000756946_100010161198 [0,1,0,0,0,0|3,0,0]=4 1640 B18R2.6467 CC(CSc1cc(ncn1)Cl)c2ccccc2 62a_100010161198_100000756946 [0,1,0,0,0,0|3,0,0]=4 1641 B18R2.6467 CC(CSc1cc(ncn1)F)c2ccccc2 62a_100000756946_200009880791 [0,1,0,0,0,0|3,0,0]=4 1642 B18R2.6467 CC(CSc1cc(ncn1)F)c2ccccc2 62a_200009880791_100000756946 [0,1,0,0,0,0|3,0,0]=4 1643 B18R2.6467 CC(CSc1cc(ncn1)N)c2ccccc2 62a_100000701291_100000756946 [0,1,0,0,0,0|3,0,0]=4 1644 B18R2.6467 CC(CSc1cc(ncn1)N)c2ccccc2 62a_100000756946_100000701291 [0,1,0,0,0,0|3,0,0]=4 1645 B18R2.6467 CC(CSc1cc(ncn1)O)c2ccccc2 62a_100000756946_100000765262 [0,1,0,0,0,0|3,0,0]=4 1646 B18R2.6467 CC(CSc1cc[nH]c(=O)n1)c2ccccc2 62a_100000756946_200000134032 [0,1,0,0,0,0|3,0,0]=4 1647 B18R2.6467 CC(CSc1cccc(=O)[nH]1)c2ccccc2 62a_100000756946_100000752884 [0,1,0,0,0,0|2,0,1]=4 1648 B18R2.6467 CC(CSc1cccc(c1)F)c2ccccc2 62a_100000685547_100000756946 [0,1,0,0,0,0|3,0,0]=4 1649 B18R2.6467 CC(CSc1cccc(c1)F)c2ccccc2 62a_100000756946_100000685547 [0,1,0,0,0,0|3,0,0]=4 1650 B18R2.6467 CC(CSc1cccc(c1)N)c2ccccc2 62a_100000210019_100000756946 [0,1,0,0,0,0|3,0,0]=4 1651 B18R2.6467 CC(CSc1cccc(c1)N)c2ccccc2 62a_100000756946_100000210019 [0,1,0,0,0,0|3,0,0]=4 1652 B18R2.6467 CC(CSc1cccc(c1)O)c2ccccc2 62a_100000756946_100000211634 [0,1,0,0,0,0|3,0,0]=4 1653 B18R2.6467 CC(CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000756946 [0,1,0,0,0,0|2,0,0]=3 1654 B18R2.6467 CC(CSc1cccc(n1)Br)c2ccccc2 62a_100000756946_100000684672 [0,1,0,0,0,0|2,0,0]=3 1655 B18R2.6467 CC(CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000756946 [0,1,0,0,0,0|2,0,0]=3 1656 B18R2.6467 CC(CSc1cccc(n1)Cl)c2ccccc2 62a_100000756946_100000051397 [0,1,0,0,0,0|2,0,0]=3 1657 B18R2.6467 CC(CSc1cccc(n1)F)c2ccccc2 62a_100000756946_100009815982 [0,1,0,0,0,0|2,0,0]=3 1658 B18R2.6467 CC(CSc1cccc(n1)F)c2ccccc2 62a_100009815982_100000756946 [0,1,0,0,0,0|2,0,0]=3 1659 B18R2.6467 CC(CSc1cccc(n1)N)c2ccccc2 62a_100000740741_100000756946 [0,1,0,0,0,0|2,0,0]=3 1660 B18R2.6467 CC(CSc1cccc(n1)N)c2ccccc2 62a_100000756946_100000740741 [0,1,0,0,0,0|2,0,0]=3 1661 B18R2.6467 CC(CSc1ccnc(n1)Cl)c2ccccc2 62a_100000756946_100010154678 [0,1,0,0,0,0|3,0,0]=4 1662 B18R2.6467 CC(CSc1ccnc(n1)Cl)c2ccccc2 62a_100010154678_100000756946 [0,1,0,0,0,0|3,0,0]=4 1663 B18R2.6467 CC(CSc1ccnc(n1)N)c2ccccc2 62a_100000055538_100000756946 [0,1,0,0,0,0|3,0,0]=4 1664 B18R2.6467 CC(CSc1ccnc(n1)N)c2ccccc2 62a_100000756946_100000055538 [0,1,0,0,0,0|3,0,0]=4 1665 B18R2.6467 CC(CSc1cncc(n1)Cl)c2ccccc2 62a_100000756946_100010892449 [0,1,0,0,0,0|3,0,0]=4 1666 B18R2.6467 CC(CSc1cncc(n1)Cl)c2ccccc2 62a_100010892449_100000756946 [0,1,0,0,0,0|3,0,0]=4 1667 B18R2.6467 CC(CSc1cncc(n1)F)c2ccccc2 62a_100000756946_200009863489 [0,1,0,0,0,0|3,0,0]=4 1668 B18R2.6467 CC(CSc1cncc(n1)F)c2ccccc2 62a_200009863489_100000756946 [0,1,0,0,0,0|3,0,0]=4 1669 B18R2.6467 CC(CSc1cncc(n1)N)c2ccccc2 62a_100000747728_100000756946 [0,1,0,0,0,0|3,0,0]=4 1670 B18R2.6467 CC(CSc1cncc(n1)N)c2ccccc2 62a_100000756946_100000747728 [0,1,0,0,0,0|3,0,0]=4 1671 B18R2.6467 CC(CSc1cncc(n1)O)c2ccccc2 62a_100000756946_100011269956 [0,1,0,0,0,0|3,0,0]=4 1672 B18R2.6467 CC(CSc1nccc(n1)N)c2ccccc2 62a_100000756946_100000757536 [0,1,0,0,0,0|3,0,0]=4 1673 B18R2.6467 CC(CSc1nccc(n1)N)c2ccccc2 62a_100000757536_100000756946 [0,1,0,0,0,0|3,0,0]=4 1674 B18R2.6467 CC(CSc1nccc(n1)O)c2ccccc2 62a_100000756946_100011649813 [0,1,0,0,0,0|3,0,0]=4 1675 B18R2.6467 CC(NCc1cccc(n1)Br)c2ccccc2 2230a_100016987751_100000230085 [0,1,0,0,0,0|3,0,0]=4 1676 B18R2.6467 CC(NCc1cccc(n1)Cl)c2ccccc2 2230a_100016990191_100000230085 [0,1,0,0,0,0|3,0,0]=4 1677 B18R2.6467 CC(NCc1cccc(n1)F)c2ccccc2 2230a_100015188798_100000230085 [0,1,0,0,0,0|3,0,0]=4 1678 B18R2.6467 CC(NCc1cccc(n1)F)c2ccccc2 34a_100015188798_100000211855 [0,1,0,0,0,0|3,0,0]=4 1679 B18R2.6467 CC(OCc1cc(ccn1)Cl)c2ccccc2 34a_100000748867_100000211855 [0,1,0,0,0,0|3,0,0]=4 1680 B18R2.6467 CC(OCc1cc(ccn1)N)c2ccccc2 34a_100000692640_100000211855 [0,1,0,0,0,0|3,0,0]=4 1681 B18R2.6467 CC(OCc1cccc(n1)Br)c2ccccc2 34a_100000694195_100000211855 [0,1,0,0,0,0|3,0,0]=4 1682 B18R2.6467 CC(OCc1cccc(n1)Cl)c2ccccc2 34a_100011998359_100000211855 [0,1,0,0,0,0|3,0,0]=4 1683 B18R2.6467 CC(OCc1cccc(n1)F)c2ccccc2 34a_100000086748_100000211855 [0,1,0,0,0,0|3,0,0]=4 1684 B18R2.6467 CC(SCc1cc(ccn1)Br)c2ccccc2 62a_100000230085_100010173614 [0,1,0,0,0,0|3,0,0]=4 1685 B18R2.6467 CC(SCc1cc(ccn1)Br)c2ccccc2 62a_100010173614_100000230085 [0,1,0,0,0,0|3,0,0]=4 1686 B18R2.6467 CC(SCc1cc(ccn1)Cl)c2ccccc2 62a_100000230085_100016988179 [0,1,0,0,0,0|3,0,0]=4 1687 B18R2.6467 CC(SCc1cc(ccn1)Cl)c2ccccc2 62a_100016988179_100000230085 [0,1,0,0,0,0|3,0,0]=4 1688 B18R2.6467 CC(SCc1cccc(n1)Br)c2ccccc2 62a_100000230085_100009889011 [0,1,0,0,0,0|3,0,0]=4 1689 B18R2.6467 CC(SCc1cccc(n1)Br)c2ccccc2 62a_100009889011_100000230085 [0,1,0,0,0,0|3,0,0]=4 1690 B18R2.6467 CC(SCc1cccc(n1)Cl)c2ccccc2 62a_100000086093_100000230085 [0,1,0,0,0,0|3,0,0]=4 1691 B18R2.6467 CC(SCc1cccc(n1)Cl)c2ccccc2 62a_100000230085_100000086093 [0,1,0,0,0,0|3,0,0]=4 1692 B18R2.6467 CC(SCc1cccc(n1)F)c2ccccc2 62a_100000230085_100009819644 [0,1,0,0,0,0|3,0,0]=4 1693 B18R2.6467 CC(SCc1cccc(n1)F)c2ccccc2 62a_100009819644_100000230085 [0,1,0,0,0,0|3,0,0]=4 1694 B18R2.6467 C[C@@H](NCc1cc(ccn1)Br)c2ccccc2 2230a_100000751104_100010173614 [0,1,0,0,0,0|3,0,0]=4 1695 B18R2.6467 C[C@@H](NCc1cc(ccn1)Br)c2ccccc2 270004a_100000751104_100009818557 [0,1,0,0,0,0|3,0,0]=4 1696 B18R2.6467 C[C@@H](NCc1cc(ccn1)Cl)c2ccccc2 2230a_100000751104_100016988179 [0,1,0,0,0,0|3,0,0]=4 1697 B18R2.6467 C[C@@H](NCc1cc(ccn1)Cl)c2ccccc2 270004a_100000751104_100011998288 [0,1,0,0,0,0|3,0,0]=4 1698 B18R2.6467 C[C@@H](NCc1cccc(n1)Br)c2ccccc2 2230a_100000751104_100009889011 [0,1,0,0,0,0|3,0,0]=4 1699 B18R2.6467 C[C@@H](NCc1cccc(n1)Br)c2ccccc2 270004a_100000751104_100000688028 [0,1,0,0,0,0|3,0,0]=4 1700 B18R2.6467 C[C@@H](NCc1cccc(n1)Cl)c2ccccc2 2230a_100000751104_100000086093 [0,1,0,0,0,0|3,0,0]=4 1701 B18R2.6467 C[C@@H](NCc1cccc(n1)Cl)c2ccccc2 270004a_100000751104_100011361687 [0,1,0,0,0,0|3,0,0]=4 1702 B18R2.6467 C[C@@H](NCc1cccc(n1)F)c2ccccc2 2230a_100000751104_100009819644 [0,1,0,0,0,0|3,0,0]=4 1703 B18R2.6467 C[C@@H](NCc1cccc(n1)F)c2ccccc2 270004a_100000751104_100000050434 [0,1,0,0,0,0|3,0,0]=4 1704 B18R2.6467 C[C@@H](OCc1cc(ccn1)Br)c2ccccc2 34a_100000761318_100010173614 [0,1,0,0,0,0|3,0,0]=4 1705 B18R2.6467 C[C@@H](OCc1cc(ccn1)Br)c2ccccc2 7a_100000761318_100010173614 [0,1,0,0,0,0|3,0,0]=4 1706 B18R2.6467 C[C@@H](OCc1cc(ccn1)Cl)c2ccccc2 34a_100000761318_100016988179 [0,1,0,0,0,0|3,0,0]=4 1707 B18R2.6467 C[C@@H](OCc1cc(ccn1)Cl)c2ccccc2 7a_100000761318_100016988179 [0,1,0,0,0,0|3,0,0]=4 1708 B18R2.6467 C[C@@H](OCc1cccc(n1)Br)c2ccccc2 34a_100000761318_100009889011 [0,1,0,0,0,0|3,0,0]=4 1709 B18R2.6467 C[C@@H](OCc1cccc(n1)Br)c2ccccc2 7a_100000761318_100009889011 [0,1,0,0,0,0|3,0,0]=4 1710 B18R2.6467 C[C@@H](OCc1cccc(n1)Cl)c2ccccc2 34a_100000761318_100000086093 [0,1,0,0,0,0|3,0,0]=4 1711 B18R2.6467 C[C@@H](OCc1cccc(n1)Cl)c2ccccc2 7a_100000761318_100000086093 [0,1,0,0,0,0|3,0,0]=4 1712 B18R2.6467 C[C@@H](OCc1cccc(n1)F)c2ccccc2 34a_100000761318_100009819644 [0,1,0,0,0,0|3,0,0]=4 1713 B18R2.6467 C[C@@H](OCc1cccc(n1)F)c2ccccc2 7a_100000761318_100009819644 [0,1,0,0,0,0|3,0,0]=4 1714 B18R2.6467 C[n+]1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100009996589 [0,1,0,0,0,0|3,0,0]=4 1715 B18R2.6467 C[n+]1cccc(c1)SCC(O)c2ccccc2 62a_100009996589_100000185958 [0,1,0,0,0,0|3,0,0]=4 1716 B18R2.6467 C[n+]1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100009996589_100011933945 [0,1,0,0,0,0|3,0,0]=4 1717 B18R2.6467 C[n+]1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009996589 [0,1,0,0,0,0|3,0,0]=4 1718 B18R2.6467 Cc1cc(ccn1)NCC(C)c2ccccc2 27a_100000701038_100000758586 [0,1,0,0,0,0|3,0,0]=4 1719 B18R2.6467 Cc1cc(ccn1)NCC(O)c2ccccc2 27a_100000210709_100000758586 [0,1,0,0,0,0|2,0,0]=3 1720 B18R2.6467 Cc1cc(ccn1)NCC(O)c2ccccn2 27a_100000691469_100000758586 [0,1,0,0,0,0|3,0,0]=4 1721 B18R2.6467 Cc1cc(ccn1)NCC(O)c2cccnc2 27a_100020605170_100000758586 [0,1,0,0,0,0|3,0,0]=4 1722 B18R2.6467 Cc1cc(ccn1)OCC(O)c2ccccc2 34a_100000688365_100000185958 [0,1,0,0,0,0|3,0,0]=4 1723 B18R2.6467 Cc1cc(ccn1)OC[C@@H](O)c2ccccc2 34a_100000688365_100011933945 [0,1,0,0,0,0|3,0,0]=4 1724 B18R2.6467 Cc1cc(ccn1)SCC(O)c2ccccc2 62a_100000185958_100000758586 [0,1,0,0,0,0|3,0,0]=4 1725 B18R2.6467 Cc1cc(ccn1)SCC(O)c2ccccc2 62a_100000758586_100000185958 [0,1,0,0,0,0|3,0,0]=4 1726 B18R2.6467 Cc1cc(ccn1)SC[C@@H](O)c2ccccc2 62a_100000758586_100011933945 [0,1,0,0,0,0|3,0,0]=4 1727 B18R2.6467 Cc1cc(ccn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000758586 [0,1,0,0,0,0|3,0,0]=4 1728 B18R2.6467 Cc1cc(ncn1)NCC(C)c2ccccc2 27a_100000701038_100000744208 [0,1,0,0,0,0|2,0,0]=3 1729 B18R2.6467 Cc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000744208 [0,1,0,0,0,0|1,0,0]=2 1730 B18R2.6467 Cc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000744208 [0,1,0,0,0,0|2,0,0]=3 1731 B18R2.6467 Cc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000744208 [0,1,0,0,0,0|2,0,0]=3 1732 B18R2.6467 Cc1cc(ncn1)SCC(C)c2ccccc2 62a_100000744208_100000756946 [0,1,0,0,0,0|3,0,0]=4 1733 B18R2.6467 Cc1cc(ncn1)SCC(C)c2ccccc2 62a_100000756946_100000744208 [0,1,0,0,0,0|3,0,0]=4 1734 B18R2.6467 Cc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000744208 [0,1,0,0,0,0|2,0,0]=3 1735 B18R2.6467 Cc1cc(ncn1)SCC(O)c2ccccc2 62a_100000744208_100000185958 [0,1,0,0,0,0|2,0,0]=3 1736 B18R2.6467 Cc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000744208_100011933945 [0,1,0,0,0,0|2,0,0]=3 1737 B18R2.6467 Cc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744208 [0,1,0,0,0,0|2,0,0]=3 1738 B18R2.6467 Cc1cccc(c1)NCC(C)c2ccccc2 2230a_100000188690_100000756946 [0,1,0,0,0,0|2,0,0]=3 1739 B18R2.6467 Cc1cccc(c1)NCC(C)c2ccccc2 34a_100000188690_100000756946 [0,1,0,0,0,0|2,0,0]=3 1740 B18R2.6467 Cc1cccc(c1)NCC(O)c2ccccc2 2230a_100000188690_100000185958 [0,1,0,0,0,0|1,0,0]=2 1741 B18R2.6467 Cc1cccc(c1)NCC(O)c2ccccc2 34a_100000188690_100000185958 [0,1,0,0,0,0|1,0,0]=2 1742 B18R2.6467 Cc1cccc(c1)NC[C@@H](O)c2ccccc2 2230a_100000188690_100011933945 [0,1,0,0,0,0|1,0,0]=2 1743 B18R2.6467 Cc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000188690_100011933945 [0,1,0,0,0,0|1,0,0]=2 1744 B18R2.6467 Cc1cccc(c1)OCC(C)c2ccccc2 34a_100000210337_100000756946 [0,1,0,0,0,0|3,0,0]=4 1745 B18R2.6467 Cc1cccc(c1)OCC(C)c2ccccc2 7a_100000210337_100000756946 [0,1,0,0,0,0|3,0,0]=4 1746 B18R2.6467 Cc1cccc(c1)OCC(O)c2ccccc2 34a_100000210337_100000185958 [0,1,0,0,0,0|2,0,0]=3 1747 B18R2.6467 Cc1cccc(c1)OCC(O)c2ccccc2 7a_100000210337_100000185958 [0,1,0,0,0,0|2,0,0]=3 1748 B18R2.6467 Cc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000210337_100011933945 [0,1,0,0,0,0|2,0,0]=3 1749 B18R2.6467 Cc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100000210337_100011933945 [0,1,0,0,0,0|2,0,0]=3 1750 B18R2.6467 Cc1cccc(c1)SCC(C)c2ccccc2 62a_100000756946_100011215228 [0,1,0,0,0,0|3,0,0]=4 1751 B18R2.6467 Cc1cccc(c1)SCC(C)c2ccccc2 62a_100011215228_100000756946 [0,1,0,0,0,0|3,0,0]=4 1752 B18R2.6467 Cc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100011215228 [0,1,0,0,0,0|2,0,0]=3 1753 B18R2.6467 Cc1cccc(c1)SCC(O)c2ccccc2 62a_100011215228_100000185958 [0,1,0,0,0,0|2,0,0]=3 1754 B18R2.6467 Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011215228_100011933945 [0,1,0,0,0,0|2,0,0]=3 1755 B18R2.6467 Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215228 [0,1,0,0,0,0|2,0,0]=3 1756 B18R2.6467 Cc1cccc(n1)CNC(C)c2ccccc2 34a_100000701342_100000211855 [0,1,0,0,0,0|3,0,0]=4 1757 B18R2.6467 Cc1cccc(n1)CN[C@H](C)c2ccccc2 207a_100000751104_100011215050 [0,1,0,0,0,0|3,0,0]=4 1758 B18R2.6467 Cc1cccc(n1)CN[C@H](C)c2ccccc2 2230a_100000751104_100000757606 [0,1,0,0,0,0|3,0,0]=4 1759 B18R2.6467 Cc1cccc(n1)CN[C@H](C)c2ccccc2 270004a_100000751104_100011215050 [0,1,0,0,0,0|3,0,0]=4 1760 B18R2.6467 Cc1cccc(n1)COC(C)c2ccccc2 34a_100000690600_100000211855 [0,1,0,0,0,0|3,0,0]=4 1761 B18R2.6467 Cc1cccc(n1)CO[C@H](C)c2ccccc2 34a_100000761318_100000757606 [0,1,0,0,0,0|3,0,0]=4 1762 B18R2.6467 Cc1cccc(n1)CO[C@H](C)c2ccccc2 7a_100000761318_100000757606 [0,1,0,0,0,0|3,0,0]=4 1763 B18R2.6467 Cc1cccc(n1)CSC(C)c2ccccc2 62a_100000230085_100000757606 [0,1,0,0,0,0|3,0,0]=4 1764 B18R2.6467 Cc1cccc(n1)CSC(C)c2ccccc2 62a_100000757606_100000230085 [0,1,0,0,0,0|3,0,0]=4 1765 B18R2.6467 Cc1cccc(n1)NNC(=O)c2ccccc2 22a_100011363444_100000185807 [0,1,0,0,0,0|1,0,2]=4 1766 B18R2.6467 Cc1cccc(n1)SCC(=O)c2ccccc2 62a_100000211460_100000742759 [0,1,0,0,0,0|1,0,2]=4 1767 B18R2.6467 Cc1cccc(n1)SCC(=O)c2ccccc2 62a_100000742759_100000211460 [0,1,0,0,0,0|1,0,2]=4 1768 B18R2.6467 Cc1cccc(n1)SCC(C)c2ccccc2 62a_100000742759_100000756946 [0,1,0,0,0,0|2,0,0]=3 1769 B18R2.6467 Cc1cccc(n1)SCC(C)c2ccccc2 62a_100000756946_100000742759 [0,1,0,0,0,0|2,0,0]=3 1770 B18R2.6467 Cc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000742759 [0,1,0,0,0,0|1,0,0]=2 1771 B18R2.6467 Cc1cccc(n1)SCC(O)c2ccccc2 62a_100000742759_100000185958 [0,1,0,0,0,0|1,0,0]=2 1772 B18R2.6467 Cc1cccc(n1)SCS(=O)c2ccccc2 62a_100000742759_100000031784 [0,1,0,0,0,0|2,0,1]=4 1773 B18R2.6467 Cc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100000742759_100011933945 [0,1,0,0,0,0|1,0,0]=2 1774 B18R2.6467 Cc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000742759 [0,1,0,0,0,0|1,0,0]=2 1775 B18R2.6467 Cc1ccnc(c1)CN[C@H](C)c2ccccc2 207a_100000751104_100011361488 [0,1,0,0,0,0|3,0,0]=4 1776 B18R2.6467 Cc1ccnc(c1)CN[C@H](C)c2ccccc2 2230a_100000751104_100000718516 [0,1,0,0,0,0|3,0,0]=4 1777 B18R2.6467 Cc1ccnc(c1)CN[C@H](C)c2ccccc2 270004a_100000751104_100011361488 [0,1,0,0,0,0|3,0,0]=4 1778 B18R2.6467 Cc1ccnc(c1)COC(C)c2ccccc2 34a_100011998357_100000211855 [0,1,0,0,0,0|3,0,0]=4 1779 B18R2.6467 Cc1ccnc(c1)CO[C@H](C)c2ccccc2 34a_100000761318_100000718516 [0,1,0,0,0,0|3,0,0]=4 1780 B18R2.6467 Cc1ccnc(c1)CO[C@H](C)c2ccccc2 7a_100000761318_100000718516 [0,1,0,0,0,0|3,0,0]=4 1781 B18R2.6467 Cc1ccnc(c1)CSC(C)c2ccccc2 62a_100000230085_100000718516 [0,1,0,0,0,0|3,0,0]=4 1782 B18R2.6467 Cc1ccnc(c1)CSC(C)c2ccccc2 62a_100000718516_100000230085 [0,1,0,0,0,0|3,0,0]=4 1783 B18R2.6467 Cc1ccnc(c1)NNC(=O)c2ccccc2 22a_100000746014_100000185807 [0,1,0,0,0,0|1,0,2]=4 1784 B18R2.6467 Cc1ccnc(c1)SCC(=O)c2ccccc2 62a_100000211460_100000750283 [0,1,0,0,0,0|1,0,2]=4 1785 B18R2.6467 Cc1ccnc(c1)SCC(=O)c2ccccc2 62a_100000750283_100000211460 [0,1,0,0,0,0|1,0,2]=4 1786 B18R2.6467 Cc1ccnc(c1)SCC(C)c2ccccc2 62a_100000750283_100000756946 [0,1,0,0,0,0|2,0,0]=3 1787 B18R2.6467 Cc1ccnc(c1)SCC(C)c2ccccc2 62a_100000756946_100000750283 [0,1,0,0,0,0|2,0,0]=3 1788 B18R2.6467 Cc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100000750283 [0,1,0,0,0,0|1,0,0]=2 1789 B18R2.6467 Cc1ccnc(c1)SCC(O)c2ccccc2 62a_100000750283_100000185958 [0,1,0,0,0,0|1,0,0]=2 1790 B18R2.6467 Cc1ccnc(c1)SCS(=O)c2ccccc2 62a_100000750283_100000031784 [0,1,0,0,0,0|2,0,1]=4 1791 B18R2.6467 Cc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100000750283_100011933945 [0,1,0,0,0,0|1,0,0]=2 1792 B18R2.6467 Cc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000750283 [0,1,0,0,0,0|1,0,0]=2 1793 B18R2.6467 Cc1ccnc(n1)NCC(C)c2ccccc2 27a_100000701038_100000750684 [0,1,0,0,0,0|2,0,0]=3 1794 B18R2.6467 Cc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100000750684 [0,1,0,0,0,0|1,0,0]=2 1795 B18R2.6467 Cc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100000750684 [0,1,0,0,0,0|2,0,0]=3 1796 B18R2.6467 Cc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100000750684 [0,1,0,0,0,0|2,0,0]=3 1797 B18R2.6467 Cc1ccnc(n1)SCC(C)c2ccccc2 62a_100000756946_100011243806 [0,1,0,0,0,0|3,0,0]=4 1798 B18R2.6467 Cc1ccnc(n1)SCC(C)c2ccccc2 62a_100011243806_100000756946 [0,1,0,0,0,0|3,0,0]=4 1799 B18R2.6467 Cc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100011243806 [0,1,0,0,0,0|2,0,0]=3 1800 B18R2.6467 Cc1ccnc(n1)SCC(O)c2ccccc2 62a_100011243806_100000185958 [0,1,0,0,0,0|2,0,0]=3 1801 B18R2.6467 Cc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011243806_100011933945 [0,1,0,0,0,0|2,0,0]=3 1802 B18R2.6467 Cc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011243806 [0,1,0,0,0,0|2,0,0]=3 1803 B18R2.6467 Cc1cncc(c1)OCC(O)c2ccccc2 34a_100011830280_100000185958 [0,1,0,0,0,0|3,0,0]=4 1804 B18R2.6467 Cc1cncc(c1)OCC(O)c2ccccc2 7a_100011830280_100000185958 [0,1,0,0,0,0|3,0,0]=4 1805 B18R2.6467 Cc1cncc(c1)OC[C@@H](O)c2ccccc2 34a_100011830280_100011933945 [0,1,0,0,0,0|3,0,0]=4 1806 B18R2.6467 Cc1cncc(c1)OC[C@@H](O)c2ccccc2 7a_100011830280_100011933945 [0,1,0,0,0,0|3,0,0]=4 1807 B18R2.6467 Cc1cncc(c1)SCC(O)c2ccccc2 62a_100000185958_100000760492 [0,1,0,0,0,0|3,0,0]=4 1808 B18R2.6467 Cc1cncc(c1)SCC(O)c2ccccc2 62a_100000760492_100000185958 [0,1,0,0,0,0|3,0,0]=4 1809 B18R2.6467 Cc1cncc(c1)SC[C@@H](O)c2ccccc2 62a_100000760492_100011933945 [0,1,0,0,0,0|3,0,0]=4 1810 B18R2.6467 Cc1cncc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000760492 [0,1,0,0,0,0|3,0,0]=4 1811 B18R2.6467 Cc1cncc(n1)NCC(C)c2ccccc2 27a_100000701038_100000754123 [0,1,0,0,0,0|2,0,0]=3 1812 B18R2.6467 Cc1cncc(n1)NCC(O)c2ccccc2 27a_100000210709_100000754123 [0,1,0,0,0,0|1,0,0]=2 1813 B18R2.6467 Cc1cncc(n1)NCC(O)c2ccccn2 27a_100000691469_100000754123 [0,1,0,0,0,0|2,0,0]=3 1814 B18R2.6467 Cc1cncc(n1)NCC(O)c2cccnc2 27a_100020605170_100000754123 [0,1,0,0,0,0|2,0,0]=3 1815 B18R2.6467 Cc1cncc(n1)SCC(C)c2ccccc2 62a_100000754123_100000756946 [0,1,0,0,0,0|3,0,0]=4 1816 B18R2.6467 Cc1cncc(n1)SCC(C)c2ccccc2 62a_100000756946_100000754123 [0,1,0,0,0,0|3,0,0]=4 1817 B18R2.6467 Cc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100000754123 [0,1,0,0,0,0|2,0,0]=3 1818 B18R2.6467 Cc1cncc(n1)SCC(O)c2ccccc2 62a_100000754123_100000185958 [0,1,0,0,0,0|2,0,0]=3 1819 B18R2.6467 Cc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100000754123_100011933945 [0,1,0,0,0,0|2,0,0]=3 1820 B18R2.6467 Cc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000754123 [0,1,0,0,0,0|2,0,0]=3 1821 B18R2.6467 Cc1cnnc(c1)NCC(C)c2ccccc2 27a_100000701038_100000070100 [0,1,0,0,0,0|2,0,0]=3 1822 B18R2.6467 Cc1cnnc(c1)NCC(O)c2ccccc2 27a_100000210709_100000070100 [0,1,0,0,0,0|1,0,0]=2 1823 B18R2.6467 Cc1cnnc(c1)NCC(O)c2ccccn2 27a_100000691469_100000070100 [0,1,0,0,0,0|2,0,0]=3 1824 B18R2.6467 Cc1cnnc(c1)NCC(O)c2cccnc2 27a_100020605170_100000070100 [0,1,0,0,0,0|2,0,0]=3 1825 B18R2.6467 Cc1cnnc(c1)OCC(C)c2ccccc2 34a_100000766097_100000756946 [0,1,0,0,0,0|3,0,0]=4 1826 B18R2.6467 Cc1cnnc(c1)OCC(O)c2ccccc2 34a_100000766097_100000185958 [0,1,0,0,0,0|2,0,0]=3 1827 B18R2.6467 Cc1cnnc(c1)OC[C@@H](O)c2ccccc2 34a_100000766097_100011933945 [0,1,0,0,0,0|2,0,0]=3 1828 B18R2.6467 Cc1cnnc(c1)SCC(C)c2ccccc2 62a_100000070100_100000756946 [0,1,0,0,0,0|3,0,0]=4 1829 B18R2.6467 Cc1cnnc(c1)SCC(C)c2ccccc2 62a_100000756946_100000070100 [0,1,0,0,0,0|3,0,0]=4 1830 B18R2.6467 Cc1cnnc(c1)SCC(O)c2ccccc2 62a_100000070100_100000185958 [0,1,0,0,0,0|2,0,0]=3 1831 B18R2.6467 Cc1cnnc(c1)SCC(O)c2ccccc2 62a_100000185958_100000070100 [0,1,0,0,0,0|2,0,0]=3 1832 B18R2.6467 Cc1cnnc(c1)SC[C@@H](O)c2ccccc2 62a_100000070100_100011933945 [0,1,0,0,0,0|2,0,0]=3 1833 B18R2.6467 Cc1cnnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000070100 [0,1,0,0,0,0|2,0,0]=3 1834 B18R2.6467 Cc1nccc(n1)NCC(C)c2ccccc2 27a_100000701038_100000749937 [0,1,0,0,0,0|2,0,0]=3 1835 B18R2.6467 Cc1nccc(n1)NCC(O)c2ccccc2 27a_100000210709_100000749937 [0,1,0,0,0,0|1,0,0]=2 1836 B18R2.6467 Cc1nccc(n1)NCC(O)c2ccccn2 27a_100000691469_100000749937 [0,1,0,0,0,0|2,0,0]=3 1837 B18R2.6467 Cc1nccc(n1)NCC(O)c2cccnc2 27a_100020605170_100000749937 [0,1,0,0,0,0|2,0,0]=3 1838 B18R2.6467 Cc1nccc(n1)SCC(C)c2ccccc2 62a_100000749937_100000756946 [0,1,0,0,0,0|3,0,0]=4 1839 B18R2.6467 Cc1nccc(n1)SCC(C)c2ccccc2 62a_100000756946_100000749937 [0,1,0,0,0,0|3,0,0]=4 1840 B18R2.6467 Cc1nccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000749937 [0,1,0,0,0,0|2,0,0]=3 1841 B18R2.6467 Cc1nccc(n1)SCC(O)c2ccccc2 62a_100000749937_100000185958 [0,1,0,0,0,0|2,0,0]=3 1842 B18R2.6467 Cc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100000749937_100011933945 [0,1,0,0,0,0|2,0,0]=3 1843 B18R2.6467 Cc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000749937 [0,1,0,0,0,0|2,0,0]=3 1844 B18R2.6467 Nc1cc(ccn1)OCC(O)c2ccccc2 34a_100011834064_100000185958 [0,1,0,0,0,0|3,0,0]=4 1845 B18R2.6467 Nc1cc(ccn1)OC[C@@H](O)c2ccccc2 34a_100011834064_100011933945 [0,1,0,0,0,0|3,0,0]=4 1846 B18R2.6467 Nc1cc(ccn1)SCC(O)c2ccccc2 62a_100000049665_100000185958 [0,1,0,0,0,0|3,0,0]=4 1847 B18R2.6467 Nc1cc(ccn1)SCC(O)c2ccccc2 62a_100000185958_100000049665 [0,1,0,0,0,0|3,0,0]=4 1848 B18R2.6467 Nc1cc(ccn1)SC[C@@H](O)c2ccccc2 62a_100000049665_100011933945 [0,1,0,0,0,0|3,0,0]=4 1849 B18R2.6467 Nc1cc(ccn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000049665 [0,1,0,0,0,0|3,0,0]=4 1850 B18R2.6467 Nc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000701291 [0,1,0,0,0,0|1,0,0]=2 1851 B18R2.6467 Nc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000701291 [0,1,0,0,0,0|2,0,0]=3 1852 B18R2.6467 Nc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000701291 [0,1,0,0,0,0|2,0,0]=3 1853 B18R2.6467 Nc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000701291 [0,1,0,0,0,0|2,0,0]=3 1854 B18R2.6467 Nc1cc(ncn1)SCC(O)c2ccccc2 62a_100000701291_100000185958 [0,1,0,0,0,0|2,0,0]=3 1855 B18R2.6467 Nc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000701291_100011933945 [0,1,0,0,0,0|2,0,0]=3 1856 B18R2.6467 Nc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000701291 [0,1,0,0,0,0|2,0,0]=3 1857 B18R2.6467 Nc1cccc(c1)OCC(O)c2ccccc2 34a_100000210217_100000185958 [0,1,0,0,0,0|2,0,0]=3 1858 B18R2.6467 Nc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000210217_100011933945 [0,1,0,0,0,0|2,0,0]=3 1859 B18R2.6467 Nc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000210019 [0,1,0,0,0,0|2,0,0]=3 1860 B18R2.6467 Nc1cccc(c1)SCC(O)c2ccccc2 62a_100000210019_100000185958 [0,1,0,0,0,0|2,0,0]=3 1861 B18R2.6467 Nc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100000210019_100011933945 [0,1,0,0,0,0|2,0,0]=3 1862 B18R2.6467 Nc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000210019 [0,1,0,0,0,0|2,0,0]=3 1863 B18R2.6467 Nc1cccc(n1)SCC(=O)c2ccccc2 62a_100000211460_100000740741 [0,1,0,0,0,0|1,0,2]=4 1864 B18R2.6467 Nc1cccc(n1)SCC(=O)c2ccccc2 62a_100000740741_100000211460 [0,1,0,0,0,0|1,0,2]=4 1865 B18R2.6467 Nc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000740741 [0,1,0,0,0,0|1,0,0]=2 1866 B18R2.6467 Nc1cccc(n1)SCC(O)c2ccccc2 62a_100000740741_100000185958 [0,1,0,0,0,0|1,0,0]=2 1867 B18R2.6467 Nc1cccc(n1)SCS(=O)c2ccccc2 62a_100000740741_100000031784 [0,1,0,0,0,0|2,0,1]=4 1868 B18R2.6467 Nc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100000740741_100011933945 [0,1,0,0,0,0|1,0,0]=2 1869 B18R2.6467 Nc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000740741 [0,1,0,0,0,0|1,0,0]=2 1870 B18R2.6467 Nc1ccnc(c1)SCC(=O)c2ccccc2 62a_100000211460_100009814236 [0,1,0,0,0,0|1,0,2]=4 1871 B18R2.6467 Nc1ccnc(c1)SCC(=O)c2ccccc2 62a_100009814236_100000211460 [0,1,0,0,0,0|1,0,2]=4 1872 B18R2.6467 Nc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100009814236 [0,1,0,0,0,0|1,0,0]=2 1873 B18R2.6467 Nc1ccnc(c1)SCC(O)c2ccccc2 62a_100009814236_100000185958 [0,1,0,0,0,0|1,0,0]=2 1874 B18R2.6467 Nc1ccnc(c1)SCS(=O)c2ccccc2 62a_100009814236_100000031784 [0,1,0,0,0,0|2,0,1]=4 1875 B18R2.6467 Nc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100009814236_100011933945 [0,1,0,0,0,0|1,0,0]=2 1876 B18R2.6467 Nc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009814236 [0,1,0,0,0,0|1,0,0]=2 1877 B18R2.6467 Nc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100000757536 [0,1,0,0,0,0|1,0,0]=2 1878 B18R2.6467 Nc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100000757536 [0,1,0,0,0,0|2,0,0]=3 1879 B18R2.6467 Nc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100000757536 [0,1,0,0,0,0|2,0,0]=3 1880 B18R2.6467 Nc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100000757536 [0,1,0,0,0,0|2,0,0]=3 1881 B18R2.6467 Nc1ccnc(n1)SCC(O)c2ccccc2 62a_100000757536_100000185958 [0,1,0,0,0,0|2,0,0]=3 1882 B18R2.6467 Nc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100000757536_100011933945 [0,1,0,0,0,0|2,0,0]=3 1883 B18R2.6467 Nc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000757536 [0,1,0,0,0,0|2,0,0]=3 1884 B18R2.6467 Nc1cncc(c1)OCC(O)c2ccccc2 34a_100011997051_100000185958 [0,1,0,0,0,0|3,0,0]=4 1885 B18R2.6467 Nc1cncc(c1)OC[C@@H](O)c2ccccc2 34a_100011997051_100011933945 [0,1,0,0,0,0|3,0,0]=4 1886 B18R2.6467 Nc1cncc(c1)SCC(O)c2ccccc2 62a_100000185958_100000687067 [0,1,0,0,0,0|3,0,0]=4 1887 B18R2.6467 Nc1cncc(c1)SCC(O)c2ccccc2 62a_100000687067_100000185958 [0,1,0,0,0,0|3,0,0]=4 1888 B18R2.6467 Nc1cncc(c1)SC[C@@H](O)c2ccccc2 62a_100000687067_100011933945 [0,1,0,0,0,0|3,0,0]=4 1889 B18R2.6467 Nc1cncc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000687067 [0,1,0,0,0,0|3,0,0]=4 1890 B18R2.6467 Nc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100000747728 [0,1,0,0,0,0|2,0,0]=3 1891 B18R2.6467 Nc1cncc(n1)SCC(O)c2ccccc2 62a_100000747728_100000185958 [0,1,0,0,0,0|2,0,0]=3 1892 B18R2.6467 Nc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100000747728_100011933945 [0,1,0,0,0,0|2,0,0]=3 1893 B18R2.6467 Nc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000747728 [0,1,0,0,0,0|2,0,0]=3 1894 B18R2.6467 Nc1cnnc(c1)SCC(O)c2ccccc2 62a_100000185958_100011996757 [0,1,0,0,0,0|2,0,0]=3 1895 B18R2.6467 Nc1cnnc(c1)SCC(O)c2ccccc2 62a_100011996757_100000185958 [0,1,0,0,0,0|2,0,0]=3 1896 B18R2.6467 Nc1cnnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011996757 [0,1,0,0,0,0|2,0,0]=3 1897 B18R2.6467 Nc1cnnc(c1)SC[C@@H](O)c2ccccc2 62a_100011996757_100011933945 [0,1,0,0,0,0|2,0,0]=3 1898 B18R2.6467 Nc1nccc(n1)NCC(O)c2ccccc2 27a_100000210709_100000055538 [0,1,0,0,0,0|1,0,0]=2 1899 B18R2.6467 Nc1nccc(n1)NCC(O)c2ccccn2 27a_100000691469_100000055538 [0,1,0,0,0,0|2,0,0]=3 1900 B18R2.6467 Nc1nccc(n1)NCC(O)c2cccnc2 27a_100020605170_100000055538 [0,1,0,0,0,0|2,0,0]=3 1901 B18R2.6467 Nc1nccc(n1)SCC(O)c2ccccc2 62a_100000055538_100000185958 [0,1,0,0,0,0|2,0,0]=3 1902 B18R2.6467 Nc1nccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000055538 [0,1,0,0,0,0|2,0,0]=3 1903 B18R2.6467 Nc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100000055538_100011933945 [0,1,0,0,0,0|2,0,0]=3 1904 B18R2.6467 Nc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000055538 [0,1,0,0,0,0|2,0,0]=3 1905 B18R2.6467 Nc1ncnc(n1)NCC(O)c2ccccc2 27a_100000210709_100000123831 [0,1,0,0,0,0|2,0,0]=3 1906 B18R2.6467 Nc1ncnc(n1)NCC(O)c2ccccn2 27a_100000691469_100000123831 [0,1,0,0,0,0|3,0,0]=4 1907 B18R2.6467 Nc1ncnc(n1)NCC(O)c2cccnc2 27a_100020605170_100000123831 [0,1,0,0,0,0|3,0,0]=4 1908 B18R2.6467 Nc1ncnc(n1)SCC(O)c2ccccc2 62a_100000123831_100000185958 [0,1,0,0,0,0|3,0,0]=4 1909 B18R2.6467 Nc1ncnc(n1)SCC(O)c2ccccc2 62a_100000185958_100000123831 [0,1,0,0,0,0|3,0,0]=4 1910 B18R2.6467 Nc1ncnc(n1)SC[C@@H](O)c2ccccc2 62a_100000123831_100011933945 [0,1,0,0,0,0|3,0,0]=4 1911 B18R2.6467 Nc1ncnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000123831 [0,1,0,0,0,0|3,0,0]=4 1912 B18R2.6467 O=C(CSc1cc(ccn1)Cl)c2ccccc2 62a_100000211460_100010167805 [0,1,0,0,0,0|1,0,2]=4 1913 B18R2.6467 O=C(CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000211460 [0,1,0,0,0,0|1,0,2]=4 1914 B18R2.6467 O=C(CSc1cc(ccn1)F)c2ccccc2 62a_100000211460_100000764206 [0,1,0,0,0,0|1,0,2]=4 1915 B18R2.6467 O=C(CSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000211460 [0,1,0,0,0,0|1,0,2]=4 1916 B18R2.6467 O=C(CSc1cc(ccn1)O)c2ccccc2 62a_100000211460_100000762945 [0,1,0,0,0,0|1,0,2]=4 1917 B18R2.6467 O=C(CSc1cccc(n1)Br)c2ccccc2 62a_100000211460_100000684672 [0,1,0,0,0,0|1,0,2]=4 1918 B18R2.6467 O=C(CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000211460 [0,1,0,0,0,0|1,0,2]=4 1919 B18R2.6467 O=C(CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000211460 [0,1,0,0,0,0|1,0,2]=4 1920 B18R2.6467 O=C(CSc1cccc(n1)Cl)c2ccccc2 62a_100000211460_100000051397 [0,1,0,0,0,0|1,0,2]=4 1921 B18R2.6467 O=C(CSc1cccc(n1)F)c2ccccc2 62a_100000211460_100009815982 [0,1,0,0,0,0|1,0,2]=4 1922 B18R2.6467 O=C(CSc1cccc(n1)F)c2ccccc2 62a_100009815982_100000211460 [0,1,0,0,0,0|1,0,2]=4 1923 B18R2.6467 O=C(NNc1cc(ccn1)Br)c2ccccc2 22a_100000764631_100000185807 [0,1,0,0,0,0|1,0,2]=4 1924 B18R2.6467 O=C(NNc1cc(ccn1)Cl)c2ccccc2 22a_100102524961_100000185807 [0,1,0,0,0,0|1,0,2]=4 1925 B18R2.6467 O=C(NNc1cc(ccn1)I)c2ccccc2 22a_100010221011_100000185807 [0,1,0,0,0,0|1,0,2]=4 1926 B18R2.6467 O=C(NNc1cccc(n1)Br)c2ccccc2 22a_100009817029_100000185807 [0,1,0,0,0,0|1,0,2]=4 1927 B18R2.6467 O=C(NNc1cccc(n1)Cl)c2ccccc2 22a_100102524919_100000185807 [0,1,0,0,0,0|1,0,2]=4 1928 B18R2.6467 O=C(NNc1cccc(n1)F)c2ccccc2 22a_100000075452_100000185807 [0,1,0,0,0,0|1,0,2]=4 1929 B18R2.6467 O=S(CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000031784 [0,1,0,0,0,0|2,0,1]=4 1930 B18R2.6467 O=S(CSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000031784 [0,1,0,0,0,0|2,0,1]=4 1931 B18R2.6467 O=S(CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000031784 [0,1,0,0,0,0|2,0,1]=4 1932 B18R2.6467 O=S(CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000031784 [0,1,0,0,0,0|2,0,1]=4 1933 B18R2.6467 O=S(CSc1cccc(n1)F)c2ccccc2 62a_100009815982_100000031784 [0,1,0,0,0,0|2,0,1]=4 1934 B18R2.6467 O=c1cc(cc[nH]1)NCC(O)c2ccccc2 27a_100000210709_100000061649 [0,1,0,0,0,0|2,0,0]=3 1935 B18R2.6467 O=c1cc(cc[nH]1)NCC(O)c2ccccn2 27a_100000691469_100000061649 [0,1,0,0,0,0|3,0,0]=4 1936 B18R2.6467 O=c1cc(cc[nH]1)NCC(O)c2cccnc2 27a_100020605170_100000061649 [0,1,0,0,0,0|3,0,0]=4 1937 B18R2.6467 O=c1cc(cc[nH]1)OCC(O)c2ccccc2 34a_100000032262_100000185958 [0,1,0,0,0,0|3,0,0]=4 1938 B18R2.6467 O=c1cc(cc[nH]1)OC[C@@H](O)c2ccccc2 34a_100000032262_100011933945 [0,1,0,0,0,0|3,0,0]=4 1939 B18R2.6467 O=c1cc(cc[nH]1)SCC(O)c2ccccc2 62a_100000185958_100009816521 [0,1,0,0,0,0|3,0,0]=4 1940 B18R2.6467 O=c1cc(cc[nH]1)SCC(O)c2ccccc2 62a_100009816521_100000185958 [0,1,0,0,0,0|3,0,0]=4 1941 B18R2.6467 O=c1cc(cc[nH]1)SC[C@@H](O)c2ccccc2 62a_100009816521_100011933945 [0,1,0,0,0,0|3,0,0]=4 1942 B18R2.6467 O=c1cc(cc[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009816521 [0,1,0,0,0,0|3,0,0]=4 1943 B18R2.6467 O=c1cc(nc[nH]1)SCC(O)c2ccccc2 62a_100012002517_100000185958 [0,1,0,0,0,0|2,0,0]=3 1944 B18R2.6467 O=c1cc(nc[nH]1)SC[C@@H](O)c2ccccc2 62a_100012002517_100011933945 [0,1,0,0,0,0|2,0,0]=3 1945 B18R2.6467 O=c1cc[nH]c(c1)SCC(O)c2ccccc2 62a_100009817434_100000185958 [0,1,0,0,0,0|1,0,1]=3 1946 B18R2.6467 O=c1cc[nH]c(c1)SC[C@@H](O)c2ccccc2 62a_100009817434_100011933945 [0,1,0,0,0,0|1,0,1]=3 1947 B18R2.6467 O=c1cccc([nH]1)OCC(O)c2ccccc2 34a_100000033347_100000185958 [0,1,0,0,0,0|1,0,1]=3 1948 B18R2.6467 O=c1cccc([nH]1)OC[C@@H](O)c2ccccc2 34a_100000033347_100011933945 [0,1,0,0,0,0|1,0,1]=3 1949 B18R2.6467 O=c1cccc([nH]1)SCC(O)c2ccccc2 62a_100000185958_100000752884 [0,1,0,0,0,0|1,0,1]=3 1950 B18R2.6467 O=c1cccc([nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000752884 [0,1,0,0,0,0|1,0,1]=3 1951 B18R2.6467 O=c1nc(cc[nH]1)NCC(O)c2ccccc2 27a_100000210709_200000134032 [0,1,0,0,0,0|1,0,0]=2 1952 B18R2.6467 O=c1nc(cc[nH]1)NCC(O)c2ccccn2 27a_100000691469_200000134032 [0,1,0,0,0,0|2,0,0]=3 1953 B18R2.6467 O=c1nc(cc[nH]1)NCC(O)c2cccnc2 27a_100020605170_200000134032 [0,1,0,0,0,0|2,0,0]=3 1954 B18R2.6467 O=c1nc(cc[nH]1)SCC(O)c2ccccc2 62a_100000185958_200000134032 [0,1,0,0,0,0|2,0,0]=3 1955 B18R2.6467 O=c1nc(cc[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_200000134032 [0,1,0,0,0,0|2,0,0]=3 1956 B18R2.6467 OC(CNc1cc(ccn1)F)c2ccccc2 27a_100000210709_100000764206 [0,1,0,0,0,0|0,0,0]=1 1957 B18R2.6467 OC(CNc1cc(ccn1)F)c2ccccn2 27a_100000691469_100000764206 [0,1,0,0,0,0|1,0,0]=2 1958 B18R2.6467 OC(CNc1cc(ccn1)F)c2cccnc2 27a_100020605170_100000764206 [0,1,0,0,0,0|1,0,0]=2 1959 B18R2.6467 OC(CNc1cc(ncn1)F)c2ccccc2 27a_100000210709_200009880791 [0,1,0,0,0,0|1,0,0]=2 1960 B18R2.6467 OC(CNc1cc(ncn1)F)c2ccccn2 27a_100000691469_200009880791 [0,1,0,0,0,0|2,0,0]=3 1961 B18R2.6467 OC(CNc1cc(ncn1)F)c2cccnc2 27a_100020605170_200009880791 [0,1,0,0,0,0|2,0,0]=3 1962 B18R2.6467 OC(CNc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000185958 [0,1,0,0,0,0|1,0,0]=2 1963 B18R2.6467 OC(CNc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000185958 [0,1,0,0,0,0|1,0,0]=2 1964 B18R2.6467 OC(CNc1cccc(c1)F)c2ccccc2 34a_100000210047_100000185958 [0,1,0,0,0,0|1,0,0]=2 1965 B18R2.6467 OC(CNc1cccc(c1)I)c2ccccc2 34a_100000211102_100000185958 [0,1,0,0,0,0|1,0,0]=2 1966 B18R2.6467 OC(CNc1cccc(n1)F)c2ccccc2 27a_100000210709_100009815982 [0,1,0,0,0,0|0,0,0]=1 1967 B18R2.6467 OC(CNc1cccc(n1)F)c2ccccn2 27a_100000691469_100009815982 [0,1,0,0,0,0|1,0,0]=2 1968 B18R2.6467 OC(CNc1cccc(n1)F)c2cccnc2 27a_100020605170_100009815982 [0,1,0,0,0,0|1,0,0]=2 1969 B18R2.6467 OC(CNc1ccnc(c1)F)c2ccccc2 27a_100000210709_100009816116 [0,1,0,0,0,0|2,0,0]=3 1970 B18R2.6467 OC(CNc1ccnc(c1)F)c2ccccn2 27a_100000691469_100009816116 [0,1,0,0,0,0|3,0,0]=4 1971 B18R2.6467 OC(CNc1ccnc(c1)F)c2cccnc2 27a_100020605170_100009816116 [0,1,0,0,0,0|3,0,0]=4 1972 B18R2.6467 OC(CNc1cncc(n1)Cl)c2ccccc2 27a_100000210709_100010892449 [0,1,0,0,0,0|1,0,0]=2 1973 B18R2.6467 OC(CNc1cncc(n1)Cl)c2ccccn2 27a_100000691469_100010892449 [0,1,0,0,0,0|2,0,0]=3 1974 B18R2.6467 OC(CNc1cncc(n1)Cl)c2cccnc2 27a_100020605170_100010892449 [0,1,0,0,0,0|2,0,0]=3 1975 B18R2.6467 OC(CNc1cncc(n1)F)c2ccccc2 27a_100000210709_200009863489 [0,1,0,0,0,0|1,0,0]=2 1976 B18R2.6467 OC(CNc1cncc(n1)F)c2ccccn2 27a_100000691469_200009863489 [0,1,0,0,0,0|2,0,0]=3 1977 B18R2.6467 OC(CNc1cncc(n1)F)c2cccnc2 27a_100020605170_200009863489 [0,1,0,0,0,0|2,0,0]=3 1978 B18R2.6467 OC(COc1cccc(c1)Br)c2ccccc2 34a_100000210342_100000185958 [0,1,0,0,0,0|2,0,0]=3 1979 B18R2.6467 OC(COc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000185958 [0,1,0,0,0,0|2,0,0]=3 1980 B18R2.6467 OC(COc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100000185958 [0,1,0,0,0,0|2,0,0]=3 1981 B18R2.6467 OC(COc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000185958 [0,1,0,0,0,0|2,0,0]=3 1982 B18R2.6467 OC(COc1cccc(c1)F)c2ccccc2 34a_100000210426_100000185958 [0,1,0,0,0,0|2,0,0]=3 1983 B18R2.6467 OC(COc1cccc(c1)F)c2ccccc2 7a_100000210426_100000185958 [0,1,0,0,0,0|2,0,0]=3 1984 B18R2.6467 OC(COc1cccc(c1)I)c2ccccc2 34a_100000211634_100000185958 [0,1,0,0,0,0|2,0,0]=3 1985 B18R2.6467 OC(COc1cccc(c1)I)c2ccccc2 7a_100000211634_100000185958 [0,1,0,0,0,0|2,0,0]=3 1986 B18R2.6467 OC(COc1cccc(n1)F)c2ccccc2 34a_100011432558_100000185958 [0,1,0,0,0,0|1,0,0]=2 1987 B18R2.6467 OC(COc1ccnc(c1)Cl)c2ccccc2 34a_100000762945_100000185958 [0,1,0,0,0,0|3,0,0]=4 1988 B18R2.6467 OC(COc1ccnc(c1)F)c2ccccc2 34a_100000732698_100000185958 [0,1,0,0,0,0|3,0,0]=4 1989 B18R2.6467 OC(COc1cncc(c1)Br)c2ccccc2 34a_100000754920_100000185958 [0,1,0,0,0,0|3,0,0]=4 1990 B18R2.6467 OC(COc1cncc(c1)Br)c2ccccc2 7a_100000754920_100000185958 [0,1,0,0,0,0|3,0,0]=4 1991 B18R2.6467 OC(COc1cncc(c1)Cl)c2ccccc2 7a_100000032511_100000185958 [0,1,0,0,0,0|3,0,0]=4 1992 B18R2.6467 OC(COc1cncc(c1)F)c2ccccc2 34a_100011830296_100000185958 [0,1,0,0,0,0|3,0,0]=4 1993 B18R2.6467 OC(COc1cncc(c1)F)c2ccccc2 7a_100011830296_100000185958 [0,1,0,0,0,0|3,0,0]=4 1994 B18R2.6467 OC(CSc1cc(ccn1)Cl)c2ccccc2 62a_100000185958_100010167805 [0,1,0,0,0,0|1,0,0]=2 1995 B18R2.6467 OC(CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000185958 [0,1,0,0,0,0|1,0,0]=2 1996 B18R2.6467 OC(CSc1cc(ccn1)F)c2ccccc2 62a_100000185958_100000764206 [0,1,0,0,0,0|1,0,0]=2 1997 B18R2.6467 OC(CSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000185958 [0,1,0,0,0,0|1,0,0]=2 1998 B18R2.6467 OC(CSc1cc(ncn1)Cl)c2ccccc2 62a_100000185958_100010161198 [0,1,0,0,0,0|2,0,0]=3 1999 B18R2.6467 OC(CSc1cc(ncn1)Cl)c2ccccc2 62a_100010161198_100000185958 [0,1,0,0,0,0|2,0,0]=3 2000 B18R2.6467 OC(CSc1cc(ncn1)F)c2ccccc2 62a_100000185958_200009880791 [0,1,0,0,0,0|2,0,0]=3 2001 B18R2.6467 OC(CSc1cc(ncn1)F)c2ccccc2 62a_200009880791_100000185958 [0,1,0,0,0,0|2,0,0]=3 2002 B18R2.6467 OC(CSc1cccc(c1)Br)c2ccccc2 62a_100000185958_100000691529 [0,1,0,0,0,0|2,0,0]=3 2003 B18R2.6467 OC(CSc1cccc(c1)Br)c2ccccc2 62a_100000691529_100000185958 [0,1,0,0,0,0|2,0,0]=3 2004 B18R2.6467 OC(CSc1cccc(c1)Cl)c2ccccc2 62a_100000185958_100000699651 [0,1,0,0,0,0|2,0,0]=3 2005 B18R2.6467 OC(CSc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100000185958 [0,1,0,0,0,0|2,0,0]=3 2006 B18R2.6467 OC(CSc1cccc(c1)F)c2ccccc2 62a_100000185958_100000685547 [0,1,0,0,0,0|2,0,0]=3 2007 B18R2.6467 OC(CSc1cccc(c1)F)c2ccccc2 62a_100000685547_100000185958 [0,1,0,0,0,0|2,0,0]=3 2008 B18R2.6467 OC(CSc1cccc(c1)[S])c2ccccc2 62a_100000185958_114929384022 [0,1,0,0,0,0|2,0,0]=3 2009 B18R2.6467 OC(CSc1cccc(c1)[S])c2ccccc2 62a_114929384022_100000185958 [0,1,0,0,0,0|2,0,0]=3 2010 B18R2.6467 OC(CSc1cccc(n1)Br)c2ccccc2 62a_100000185958_100000684672 [0,1,0,0,0,0|1,0,0]=2 2011 B18R2.6467 OC(CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000185958 [0,1,0,0,0,0|1,0,0]=2 2012 B18R2.6467 OC(CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000185958 [0,1,0,0,0,0|1,0,0]=2 2013 B18R2.6467 OC(CSc1cccc(n1)Cl)c2ccccc2 62a_100000185958_100000051397 [0,1,0,0,0,0|1,0,0]=2 2014 B18R2.6467 OC(CSc1cccc(n1)F)c2ccccc2 62a_100000185958_100009815982 [0,1,0,0,0,0|1,0,0]=2 2015 B18R2.6467 OC(CSc1cccc(n1)F)c2ccccc2 62a_100009815982_100000185958 [0,1,0,0,0,0|1,0,0]=2 2016 B18R2.6467 OC(CSc1ccnc(c1)Br)c2ccccc2 62a_100000185958_100009814637 [0,1,0,0,0,0|3,0,0]=4 2017 B18R2.6467 OC(CSc1ccnc(c1)Br)c2ccccc2 62a_100009814637_100000185958 [0,1,0,0,0,0|3,0,0]=4 2018 B18R2.6467 OC(CSc1ccnc(c1)Cl)c2ccccc2 62a_100000035001_100000185958 [0,1,0,0,0,0|3,0,0]=4 2019 B18R2.6467 OC(CSc1ccnc(c1)Cl)c2ccccc2 62a_100000185958_100000035001 [0,1,0,0,0,0|3,0,0]=4 2020 B18R2.6467 OC(CSc1ccnc(c1)F)c2ccccc2 62a_100000185958_100009816116 [0,1,0,0,0,0|3,0,0]=4 2021 B18R2.6467 OC(CSc1ccnc(c1)F)c2ccccc2 62a_100009816116_100000185958 [0,1,0,0,0,0|3,0,0]=4 2022 B18R2.6467 OC(CSc1ccnc(n1)Cl)c2ccccc2 62a_100000185958_100010154678 [0,1,0,0,0,0|2,0,0]=3 2023 B18R2.6467 OC(CSc1ccnc(n1)Cl)c2ccccc2 62a_100010154678_100000185958 [0,1,0,0,0,0|2,0,0]=3 2024 B18R2.6467 OC(CSc1cncc(c1)Br)c2ccccc2 62a_100000185958_100000728054 [0,1,0,0,0,0|3,0,0]=4 2025 B18R2.6467 OC(CSc1cncc(c1)Br)c2ccccc2 62a_100000728054_100000185958 [0,1,0,0,0,0|3,0,0]=4 2026 B18R2.6467 OC(CSc1cncc(c1)Cl)c2ccccc2 62a_100000049639_100000185958 [0,1,0,0,0,0|3,0,0]=4 2027 B18R2.6467 OC(CSc1cncc(c1)Cl)c2ccccc2 62a_100000185958_100000049639 [0,1,0,0,0,0|3,0,0]=4 2028 B18R2.6467 OC(CSc1cncc(c1)F)c2ccccc2 62a_100000185958_100000744099 [0,1,0,0,0,0|3,0,0]=4 2029 B18R2.6467 OC(CSc1cncc(c1)F)c2ccccc2 62a_100000744099_100000185958 [0,1,0,0,0,0|3,0,0]=4 2030 B18R2.6467 OC(CSc1cncc(n1)Cl)c2ccccc2 62a_100000185958_100010892449 [0,1,0,0,0,0|2,0,0]=3 2031 B18R2.6467 OC(CSc1cncc(n1)Cl)c2ccccc2 62a_100010892449_100000185958 [0,1,0,0,0,0|2,0,0]=3 2032 B18R2.6467 OC(CSc1cncc(n1)F)c2ccccc2 62a_100000185958_200009863489 [0,1,0,0,0,0|2,0,0]=3 2033 B18R2.6467 OC(CSc1cncc(n1)F)c2ccccc2 62a_200009863489_100000185958 [0,1,0,0,0,0|2,0,0]=3 2034 B18R2.6467 O[C@H](CNc1cccc(c1)Br)c2ccccc2 34a_100000210019_100011933945 [0,1,0,0,0,0|1,0,0]=2 2035 B18R2.6467 O[C@H](CNc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100011933945 [0,1,0,0,0,0|1,0,0]=2 2036 B18R2.6467 O[C@H](CNc1cccc(c1)F)c2ccccc2 34a_100000210047_100011933945 [0,1,0,0,0,0|1,0,0]=2 2037 B18R2.6467 O[C@H](CNc1cccc(c1)I)c2ccccc2 34a_100000211102_100011933945 [0,1,0,0,0,0|1,0,0]=2 2038 B18R2.6467 O[C@H](COc1cccc(c1)Br)c2ccccc2 34a_100000210342_100011933945 [0,1,0,0,0,0|2,0,0]=3 2039 B18R2.6467 O[C@H](COc1cccc(c1)Br)c2ccccc2 7a_100000210342_100011933945 [0,1,0,0,0,0|2,0,0]=3 2040 B18R2.6467 O[C@H](COc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100011933945 [0,1,0,0,0,0|2,0,0]=3 2041 B18R2.6467 O[C@H](COc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100011933945 [0,1,0,0,0,0|2,0,0]=3 2042 B18R2.6467 O[C@H](COc1cccc(c1)F)c2ccccc2 34a_100000210426_100011933945 [0,1,0,0,0,0|2,0,0]=3 2043 B18R2.6467 O[C@H](COc1cccc(c1)F)c2ccccc2 7a_100000210426_100011933945 [0,1,0,0,0,0|2,0,0]=3 2044 B18R2.6467 O[C@H](COc1cccc(c1)I)c2ccccc2 34a_100000211634_100011933945 [0,1,0,0,0,0|2,0,0]=3 2045 B18R2.6467 O[C@H](COc1cccc(c1)I)c2ccccc2 7a_100000211634_100011933945 [0,1,0,0,0,0|2,0,0]=3 2046 B18R2.6467 O[C@H](COc1cccc(n1)F)c2ccccc2 34a_100011432558_100011933945 [0,1,0,0,0,0|1,0,0]=2 2047 B18R2.6467 O[C@H](COc1ccnc(c1)Cl)c2ccccc2 34a_100000762945_100011933945 [0,1,0,0,0,0|3,0,0]=4 2048 B18R2.6467 O[C@H](COc1ccnc(c1)F)c2ccccc2 34a_100000732698_100011933945 [0,1,0,0,0,0|3,0,0]=4 2049 B18R2.6467 O[C@H](COc1cncc(c1)Br)c2ccccc2 34a_100000754920_100011933945 [0,1,0,0,0,0|3,0,0]=4 2050 B18R2.6467 O[C@H](COc1cncc(c1)Br)c2ccccc2 7a_100000754920_100011933945 [0,1,0,0,0,0|3,0,0]=4 2051 B18R2.6467 O[C@H](COc1cncc(c1)Cl)c2ccccc2 7a_100000032511_100011933945 [0,1,0,0,0,0|3,0,0]=4 2052 B18R2.6467 O[C@H](COc1cncc(c1)F)c2ccccc2 34a_100011830296_100011933945 [0,1,0,0,0,0|3,0,0]=4 2053 B18R2.6467 O[C@H](COc1cncc(c1)F)c2ccccc2 7a_100011830296_100011933945 [0,1,0,0,0,0|3,0,0]=4 2054 B18R2.6467 O[C@H](CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100011933945 [0,1,0,0,0,0|1,0,0]=2 2055 B18R2.6467 O[C@H](CSc1cc(ccn1)Cl)c2ccccc2 62a_100011933945_100010167805 [0,1,0,0,0,0|1,0,0]=2 2056 B18R2.6467 O[C@H](CSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100011933945 [0,1,0,0,0,0|1,0,0]=2 2057 B18R2.6467 O[C@H](CSc1cc(ccn1)F)c2ccccc2 62a_100011933945_100000764206 [0,1,0,0,0,0|1,0,0]=2 2058 B18R2.6467 O[C@H](CSc1cc(ncn1)Cl)c2ccccc2 62a_100010161198_100011933945 [0,1,0,0,0,0|2,0,0]=3 2059 B18R2.6467 O[C@H](CSc1cc(ncn1)Cl)c2ccccc2 62a_100011933945_100010161198 [0,1,0,0,0,0|2,0,0]=3 2060 B18R2.6467 O[C@H](CSc1cc(ncn1)F)c2ccccc2 62a_100011933945_200009880791 [0,1,0,0,0,0|2,0,0]=3 2061 B18R2.6467 O[C@H](CSc1cc(ncn1)F)c2ccccc2 62a_200009880791_100011933945 [0,1,0,0,0,0|2,0,0]=3 2062 B18R2.6467 O[C@H](CSc1cccc(c1)Br)c2ccccc2 62a_100000691529_100011933945 [0,1,0,0,0,0|2,0,0]=3 2063 B18R2.6467 O[C@H](CSc1cccc(c1)Br)c2ccccc2 62a_100011933945_100000691529 [0,1,0,0,0,0|2,0,0]=3 2064 B18R2.6467 O[C@H](CSc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100011933945 [0,1,0,0,0,0|2,0,0]=3 2065 B18R2.6467 O[C@H](CSc1cccc(c1)Cl)c2ccccc2 62a_100011933945_100000699651 [0,1,0,0,0,0|2,0,0]=3 2066 B18R2.6467 O[C@H](CSc1cccc(c1)F)c2ccccc2 62a_100000685547_100011933945 [0,1,0,0,0,0|2,0,0]=3 2067 B18R2.6467 O[C@H](CSc1cccc(c1)F)c2ccccc2 62a_100011933945_100000685547 [0,1,0,0,0,0|2,0,0]=3 2068 B18R2.6467 O[C@H](CSc1cccc(c1)[S])c2ccccc2 62a_100011933945_114929384022 [0,1,0,0,0,0|2,0,0]=3 2069 B18R2.6467 O[C@H](CSc1cccc(c1)[S])c2ccccc2 62a_114929384022_100011933945 [0,1,0,0,0,0|2,0,0]=3 2070 B18R2.6467 O[C@H](CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100011933945 [0,1,0,0,0,0|1,0,0]=2 2071 B18R2.6467 O[C@H](CSc1cccc(n1)Br)c2ccccc2 62a_100011933945_100000684672 [0,1,0,0,0,0|1,0,0]=2 2072 B18R2.6467 O[C@H](CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100011933945 [0,1,0,0,0,0|1,0,0]=2 2073 B18R2.6467 O[C@H](CSc1cccc(n1)Cl)c2ccccc2 62a_100011933945_100000051397 [0,1,0,0,0,0|1,0,0]=2 2074 B18R2.6467 O[C@H](CSc1cccc(n1)F)c2ccccc2 62a_100009815982_100011933945 [0,1,0,0,0,0|1,0,0]=2 2075 B18R2.6467 O[C@H](CSc1cccc(n1)F)c2ccccc2 62a_100011933945_100009815982 [0,1,0,0,0,0|1,0,0]=2 2076 B18R2.6467 O[C@H](CSc1ccnc(c1)Br)c2ccccc2 62a_100009814637_100011933945 [0,1,0,0,0,0|3,0,0]=4 2077 B18R2.6467 O[C@H](CSc1ccnc(c1)Br)c2ccccc2 62a_100011933945_100009814637 [0,1,0,0,0,0|3,0,0]=4 2078 B18R2.6467 O[C@H](CSc1ccnc(c1)Cl)c2ccccc2 62a_100000035001_100011933945 [0,1,0,0,0,0|3,0,0]=4 2079 B18R2.6467 O[C@H](CSc1ccnc(c1)Cl)c2ccccc2 62a_100011933945_100000035001 [0,1,0,0,0,0|3,0,0]=4 2080 B18R2.6467 O[C@H](CSc1ccnc(c1)F)c2ccccc2 62a_100009816116_100011933945 [0,1,0,0,0,0|3,0,0]=4 2081 B18R2.6467 O[C@H](CSc1ccnc(c1)F)c2ccccc2 62a_100011933945_100009816116 [0,1,0,0,0,0|3,0,0]=4 2082 B18R2.6467 O[C@H](CSc1ccnc(n1)Cl)c2ccccc2 62a_100010154678_100011933945 [0,1,0,0,0,0|2,0,0]=3 2083 B18R2.6467 O[C@H](CSc1ccnc(n1)Cl)c2ccccc2 62a_100011933945_100010154678 [0,1,0,0,0,0|2,0,0]=3 2084 B18R2.6467 O[C@H](CSc1cncc(c1)Br)c2ccccc2 62a_100000728054_100011933945 [0,1,0,0,0,0|3,0,0]=4 2085 B18R2.6467 O[C@H](CSc1cncc(c1)Br)c2ccccc2 62a_100011933945_100000728054 [0,1,0,0,0,0|3,0,0]=4 2086 B18R2.6467 O[C@H](CSc1cncc(c1)Cl)c2ccccc2 62a_100000049639_100011933945 [0,1,0,0,0,0|3,0,0]=4 2087 B18R2.6467 O[C@H](CSc1cncc(c1)Cl)c2ccccc2 62a_100011933945_100000049639 [0,1,0,0,0,0|3,0,0]=4 2088 B18R2.6467 O[C@H](CSc1cncc(c1)F)c2ccccc2 62a_100000744099_100011933945 [0,1,0,0,0,0|3,0,0]=4 2089 B18R2.6467 O[C@H](CSc1cncc(c1)F)c2ccccc2 62a_100011933945_100000744099 [0,1,0,0,0,0|3,0,0]=4 2090 B18R2.6467 O[C@H](CSc1cncc(n1)Cl)c2ccccc2 62a_100010892449_100011933945 [0,1,0,0,0,0|2,0,0]=3 2091 B18R2.6467 O[C@H](CSc1cncc(n1)Cl)c2ccccc2 62a_100011933945_100010892449 [0,1,0,0,0,0|2,0,0]=3 2092 B18R2.6467 O[C@H](CSc1cncc(n1)F)c2ccccc2 62a_100011933945_200009863489 [0,1,0,0,0,0|2,0,0]=3 2093 B18R2.6467 O[C@H](CSc1cncc(n1)F)c2ccccc2 62a_200009863489_100011933945 [0,1,0,0,0,0|2,0,0]=3 2094 B18R2.6467 Oc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000765262 [0,1,0,0,0,0|1,0,0]=2 2095 B18R2.6467 Oc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000765262 [0,1,0,0,0,0|2,0,0]=3 2096 B18R2.6467 Oc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000765262 [0,1,0,0,0,0|2,0,0]=3 2097 B18R2.6467 Oc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000765262 [0,1,0,0,0,0|2,0,0]=3 2098 B18R2.6467 Oc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000765262 [0,1,0,0,0,0|2,0,0]=3 2099 B18R2.6467 Oc1cccc(c1)NCC(O)c2ccccc2 34a_100000210217_100000185958 [0,1,0,0,0,0|1,0,0]=2 2100 B18R2.6467 Oc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000210217_100011933945 [0,1,0,0,0,0|1,0,0]=2 2101 B18R2.6467 Oc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000211634 [0,1,0,0,0,0|2,0,0]=3 2102 B18R2.6467 Oc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000211634 [0,1,0,0,0,0|2,0,0]=3 2103 B18R2.6467 Oc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100000762945 [0,1,0,0,0,0|1,0,0]=2 2104 B18R2.6467 Oc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000762945 [0,1,0,0,0,0|1,0,0]=2 2105 B18R2.6467 Oc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100011649813 [0,1,0,0,0,0|1,0,0]=2 2106 B18R2.6467 Oc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100011649813 [0,1,0,0,0,0|2,0,0]=3 2107 B18R2.6467 Oc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100011649813 [0,1,0,0,0,0|2,0,0]=3 2108 B18R2.6467 Oc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100011649813 [0,1,0,0,0,0|2,0,0]=3 2109 B18R2.6467 Oc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011649813 [0,1,0,0,0,0|2,0,0]=3 2110 B18R2.6467 Oc1cncc(c1)SCC(O)c2ccccc2 62a_100000185958_100000754920 [0,1,0,0,0,0|3,0,0]=4 2111 B18R2.6467 Oc1cncc(c1)SCC(O)c2ccccc2 62a_100000754920_100000185958 [0,1,0,0,0,0|3,0,0]=4 2112 B18R2.6467 Oc1cncc(c1)SC[C@@H](O)c2ccccc2 62a_100000754920_100011933945 [0,1,0,0,0,0|3,0,0]=4 2113 B18R2.6467 Oc1cncc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000754920 [0,1,0,0,0,0|3,0,0]=4 2114 B18R2.6467 Oc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100011269956 [0,1,0,0,0,0|2,0,0]=3 2115 B18R2.6467 Oc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011269956 [0,1,0,0,0,0|2,0,0]=3 2116 B18R2.6467 Oc1cnnc(c1)SCC(O)c2ccccc2 62a_100000185958_200010734679 [0,1,0,0,0,0|2,0,0]=3 2117 B18R2.6467 Oc1cnnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_200010734679 [0,1,0,0,0,0|2,0,0]=3 2118 B18R2.6467 [O-][n+]1cccc(c1)OCC(O)c2ccccc2 34a_100000039713_100000185958 [0,1,0,0,0,0|3,0,0]=4 2119 B18R2.6467 [O-][n+]1cccc(c1)OCC(O)c2ccccc2 7a_100000039713_100000185958 [0,1,0,0,0,0|3,0,0]=4 2120 B18R2.6467 [O-][n+]1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000039713_100011933945 [0,1,0,0,0,0|3,0,0]=4 2121 B18R2.6467 [O-][n+]1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100000039713_100011933945 [0,1,0,0,0,0|3,0,0]=4 2122 B18R2.6467 [O-][n+]1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100009815978 [0,1,0,0,0,0|3,0,0]=4 2123 B18R2.6467 [O-][n+]1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009815978 [0,1,0,0,0,0|3,0,0]=4 2124 B18R2.6467 [O-][n+]1ccnc(c1)NCC(O)c2ccccc2 27a_100000210709_100009880115 [0,1,0,0,0,0|1,0,0]=2 2125 B18R2.6467 [O-][n+]1ccnc(c1)NCC(O)c2ccccn2 27a_100000691469_100009880115 [0,1,0,0,0,0|2,0,0]=3 2126 B18R2.6467 [O-][n+]1ccnc(c1)NCC(O)c2cccnc2 27a_100020605170_100009880115 [0,1,0,0,0,0|2,0,0]=3 2127 B18R2.6467 [O-][n+]1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100009880115 [0,1,0,0,0,0|2,0,0]=3 2128 B18R2.6467 [O-][n+]1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009880115 [0,1,0,0,0,0|2,0,0]=3 2129 B18R2.7204 CC(C(=O)Cc1ccccn1)c2ccccc2 1458a_100000233486_100000230085 [0,1,0,0,0,0|2,0,1]=4 2130 B18R2.7204 CC(Sc1ccccn1)C(=O)c2ccccc2 62a_100000239700_100011216584 [0,1,0,0,0,0|1,0,2]=4 2131 B18R2.7204 CC(Sc1ccccn1)C(=O)c2ccccc2 62a_100011216584_100000239700 [0,1,0,0,0,0|1,0,2]=4 2132 B18R2.7204 CC(c1ccccc1)N(C)Cc2ccccn2 2230a_100000195388_100000721315 [0,1,0,0,0,0|3,0,0]=4 2133 B18R2.7204 CC(c1ccccc1)N(C)Cc2ccccn2 2230a_100000207498_100000230085 [0,1,0,0,0,0|3,0,0]=4 2134 B18R2.7204 CC(c1ccccc1)N(C)Cc2ccccn2 269982a_100000195388_100000721315 [0,1,0,0,0,0|3,0,0]=4 2135 B18R2.7204 CC(c1ccccc1)N(C)Cc2ccccn2 269982a_100000207498_100000230085 [0,1,0,0,0,0|3,0,0]=4 2136 B18R2.7204 CC(c1ccccc1)N(C)Cc2ccccn2 270004a_100000195388_100000209966 [0,1,0,0,0,0|3,0,0]=4 2137 B18R2.7204 C[C@H](C(=O)Cc1ccccn1)c2ccccc2 1458a_100000751047_100000721315 [0,1,0,0,0,0|2,0,1]=4 2138 B18R2.7204 C[C@H](C(=O)Nc1ccccc1)c2ccccc2 11a_100000106764_100000751047 [0,1,0,0,0,0|2,0,1]=4 2139 B18R2.7204 C[C@H](C(=O)Nc1ccccc1)c2ccccc2 1626a_100000106764_100000751047 [0,1,0,0,0,0|2,0,1]=4 2140 B18R2.7204 C[C@H](C(=O)Nc1ccccc1)c2ccccc2 22a_100000106764_100000751047 [0,1,0,0,0,0|2,0,1]=4 2141 B18R2.7204 C[C@H](C(=O)Nc1ccccc1)c2ccccc2 527a_100000106764_100000751047 [0,1,0,0,0,0|2,0,1]=4 2142 B18R2.7204 O=C(Cc1ccccc1)[C@H](O)c2ccccc2 1458a_100000684486_100015291786 [0,1,0,0,0,0|2,0,1]=4 2143 B18R2.7204 O=C(Cc1ccccn1)C(F)c2ccccc2 1458a_100000698975_100000721315 [0,1,0,0,0,0|2,0,1]=4 2144 B18R2.7204 O=C(Cc1ccccn1)[C@H](O)c2ccccc2 1458a_100000684486_100000721315 [0,1,0,0,0,0|1,0,1]=3 2145 B18R2.7204 O=C(Cc1cccnn1)[C@H](O)c2ccccc2 1458a_100000684486_100016990269 [0,1,0,0,0,0|2,0,1]=4 2146 B18R2.7204 O=C(Cc1cnccn1)[C@H](O)c2ccccc2 1458a_100000684486_100016995436 [0,1,0,0,0,0|2,0,1]=4 2147 B18R2.7204 O=C(Cc1ncccn1)[C@H](O)c2ccccc2 1458a_100000684486_100000703007 [0,1,0,0,0,0|2,0,1]=4 2148 B18R2.7204 O=C(Nc1ccccc1)C(F)c2ccccc2 11a_100000106764_100000698975 [0,1,0,0,0,0|2,0,1]=4 2149 B18R2.7204 O=C(Nc1ccccc1)C(F)c2ccccc2 1626a_100000106764_100000698975 [0,1,0,0,0,0|2,0,1]=4 2150 B18R2.7204 O=C(Nc1ccccc1)C(F)c2ccccc2 22a_100000106764_100000698975 [0,1,0,0,0,0|2,0,1]=4 2151 B18R2.7204 O=C(Nc1ccccc1)C(F)c2ccccc2 527a_100000106764_100000698975 [0,1,0,0,0,0|2,0,1]=4 2152 B18R2.7204 O=C(Nc1ccccc1)[C@H](O)c2ccccc2 22a_100000106764_100000684486 [0,1,0,0,0,0|1,0,1]=3 2153 B18R2.32237 CC(C)(CNc1cccnn1)c2ccccc2 27a_100011211644_100016991348 [0,1,0,0,0,0|2,0,0]=3 2154 B18R2.32237 CC(C)(CNc1ccncn1)c2ccccc2 27a_100011211644_100000703185 [0,1,0,0,0,0|2,0,0]=3 2155 B18R2.32237 CC(C)(CNc1cnccn1)c2ccccc2 27a_100011211644_100000211759 [0,1,0,0,0,0|2,0,0]=3 2156 B18R2.32237 CC(C)(CNc1ncccn1)c2ccccc2 27a_100011211644_100000211032 [0,1,0,0,0,0|2,0,0]=3 2157 B18R2.32237 CC(C)(CSc1ccccc1)c2ccccc2 62a_100000703224_100000041952 [0,1,0,0,0,0|3,0,0]=4 2158 B18R2.32237 CC(C)(CSc1ccccc1)c2ccccc2 62a_100000719477_100000703224 [0,1,0,0,0,0|3,0,0]=4 2159 B18R2.32237 CC(C)(CSc1ccccn1)c2ccccc2 62a_100000703224_100011216584 [0,1,0,0,0,0|2,0,0]=3 2160 B18R2.32237 CC(C)(CSc1ccccn1)c2ccccc2 62a_100011216584_100000703224 [0,1,0,0,0,0|2,0,0]=3 2161 B18R2.32237 CC(C)(CSc1cccnn1)c2ccccc2 62a_100000703224_100016991348 [0,1,0,0,0,0|3,0,0]=4 2162 B18R2.32237 CC(C)(CSc1cccnn1)c2ccccc2 62a_100016991348_100000703224 [0,1,0,0,0,0|3,0,0]=4 2163 B18R2.32237 CC(C)(CSc1ccncn1)c2ccccc2 62a_100000703185_100000703224 [0,1,0,0,0,0|3,0,0]=4 2164 B18R2.32237 CC(C)(CSc1ccncn1)c2ccccc2 62a_100000703224_100000703185 [0,1,0,0,0,0|3,0,0]=4 2165 B18R2.32237 CC(C)(CSc1cnccn1)c2ccccc2 62a_100000211759_100000703224 [0,1,0,0,0,0|3,0,0]=4 2166 B18R2.32237 CC(C)(CSc1cnccn1)c2ccccc2 62a_100000703224_100000211759 [0,1,0,0,0,0|3,0,0]=4 2167 B18R2.32237 CC(C)(CSc1ncccn1)c2ccccc2 62a_100000211032_100000703224 [0,1,0,0,0,0|3,0,0]=4 2168 B18R2.32237 CC(C)(CSc1ncccn1)c2ccccc2 62a_100000703224_100000211032 [0,1,0,0,0,0|3,0,0]=4 2169 B18R2.32237 CC(C)(NCc1ccccn1)c2ccccc2 207a_100011218174_100000209966 [0,1,0,0,0,0|3,0,0]=4 2170 B18R2.32237 CC(C)(NCc1ccccn1)c2ccccc2 2230a_100011218174_100000721315 [0,1,0,0,0,0|3,0,0]=4 2171 B18R2.32237 CC(C)(NCc1ccccn1)c2ccccc2 270004a_100011218174_100000209966 [0,1,0,0,0,0|3,0,0]=4 2172 B18R2.32237 CC(C)(OCc1ccccn1)c2ccccc2 7a_100000694644_100000721315 [0,1,0,0,0,0|3,0,0]=4 2173 B18R2.32237 CC(C)(SCc1ccccn1)c2ccccc2 62a_100000034625_100000721315 [0,1,0,0,0,0|3,0,0]=4 2174 B18R2.32237 CC(C)(SCc1ccccn1)c2ccccc2 62a_100000721315_100000034625 [0,1,0,0,0,0|3,0,0]=4 2175 B18R2.32237 CC(O)(CNc1cccnn1)c2ccccc2 27a_100011660926_100016991348 [0,1,0,0,0,0|1,0,0]=2 2176 B18R2.32237 CC(O)(CNc1ccncn1)c2ccccc2 27a_100011660926_100000703185 [0,1,0,0,0,0|1,0,0]=2 2177 B18R2.32237 CC(O)(CNc1cnccn1)c2ccccc2 27a_100011660926_100000211759 [0,1,0,0,0,0|1,0,0]=2 2178 B18R2.32237 CC(O)(CNc1ncccn1)c2ccccc2 27a_100011660926_100000211032 [0,1,0,0,0,0|1,0,0]=2 2179 B18R2.32237 C[Si](C)(CSc1ccccn1)c2ccccc2 62a_100000038972_100011216584 [0,1,0,0,0,0|2,1,0]=4 2180 B18R2.32237 C[Si](C)(CSc1ccccn1)c2ccccc2 62a_100011216584_100000038972 [0,1,0,0,0,0|2,1,0]=4 2181 B18R2.32237 FC(F)(CNc1ccccc1)c2ccccc2 34a_100000106764_100009875531 [0,1,0,0,0,0|2,0,0]=3 2182 B18R2.32237 FC(F)(CNc1cccnn1)c2ccccc2 27a_100000717977_100016991348 [0,1,0,0,0,0|2,0,0]=3 2183 B18R2.32237 FC(F)(CNc1ccncn1)c2ccccc2 27a_100000717977_100000703185 [0,1,0,0,0,0|2,0,0]=3 2184 B18R2.32237 FC(F)(CNc1cnccn1)c2ccccc2 27a_100000717977_100000211759 [0,1,0,0,0,0|2,0,0]=3 2185 B18R2.32237 FC(F)(CNc1ncccn1)c2ccccc2 27a_100000717977_100000211032 [0,1,0,0,0,0|2,0,0]=3 2186 B18R2.32237 FC(F)(COc1ccccc1)c2ccccc2 34a_100000210340_100009875531 [0,1,0,0,0,0|3,0,0]=4 2187 B18R2.32237 FC(F)(CSc1ccccc1)c2ccccc2 62a_100000719477_100009875531 [0,1,0,0,0,0|3,0,0]=4 2188 B18R2.32237 FC(F)(CSc1ccccc1)c2ccccc2 62a_100009875531_100000041952 [0,1,0,0,0,0|3,0,0]=4 2189 B18R2.32237 FC(F)(CSc1ccccn1)c2ccccc2 62a_100009875531_100011216584 [0,1,0,0,0,0|2,0,0]=3 2190 B18R2.32237 FC(F)(CSc1ccccn1)c2ccccc2 62a_100011216584_100009875531 [0,1,0,0,0,0|2,0,0]=3 2191 B18R2.32237 FC(F)(CSc1cccnn1)c2ccccc2 62a_100009875531_100016991348 [0,1,0,0,0,0|3,0,0]=4 2192 B18R2.32237 FC(F)(CSc1cccnn1)c2ccccc2 62a_100016991348_100009875531 [0,1,0,0,0,0|3,0,0]=4 2193 B18R2.32237 FC(F)(CSc1ccncn1)c2ccccc2 62a_100000703185_100009875531 [0,1,0,0,0,0|3,0,0]=4 2194 B18R2.32237 FC(F)(CSc1ccncn1)c2ccccc2 62a_100009875531_100000703185 [0,1,0,0,0,0|3,0,0]=4 2195 B18R2.32237 FC(F)(CSc1cnccn1)c2ccccc2 62a_100000211759_100009875531 [0,1,0,0,0,0|3,0,0]=4 2196 B18R2.32237 FC(F)(CSc1cnccn1)c2ccccc2 62a_100009875531_100000211759 [0,1,0,0,0,0|3,0,0]=4 2197 B18R2.32237 FC(F)(CSc1ncccn1)c2ccccc2 62a_100000211032_100009875531 [0,1,0,0,0,0|3,0,0]=4 2198 B18R2.32237 FC(F)(CSc1ncccn1)c2ccccc2 62a_100009875531_100000211032 [0,1,0,0,0,0|3,0,0]=4 2199 B18R2.32237 FC(F)(SCc1ccccn1)c2ccccc2 62a_100000721315_100000036403 [0,1,0,0,0,0|3,0,0]=4 2200 B18R2.32237 O=S(=O)(CNc1ccccc1)c2ccccc2 34a_100000106764_200009813291 [0,1,0,0,0,0|2,0,1]=4 2201 B18R2.32237 O=S(=O)(CSc1ccccn1)c2ccccc2 62a_100000240042_100011216584 [0,1,0,0,0,0|2,0,1]=4 2202 B18R2.32237 O=S(=O)(CSc1ccccn1)c2ccccc2 62a_100011216584_100000240042 [0,1,0,0,0,0|2,0,1]=4 2203 B18R2.32237 O=S(=O)(NNc1ccccn1)c2ccccc2 40a_100000183288_100000032697 [0,1,0,0,0,0|2,0,1]=4 2204 B16R1.64 C/C=C/C=C/COCC(O)c1ccccc1 34a_100016283227_100000185958 [0,0,1,0,0,0|2,0,1]=4 2205 B16R1.64 C/C=C/C=C/COC[C@@H](O)c1ccccc1 34a_100016283227_100011933945 [0,0,1,0,0,0|2,0,1]=4 2206 B16R1.700 C=CC=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100016291481_100000729684 [0,0,1,0,0,0|2,0,0]=3 2207 B16R1.700 C=CC=CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100016291481 [0,0,1,0,0,0|2,0,0]=3 2208 B16R1.700 C=CCCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000749702 [0,0,1,0,0,0|1,0,2]=4 2209 B16R1.700 C=CCCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000749702 [0,0,1,0,0,0|1,0,2]=4 2210 B16R1.700 C=CCNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100020586998 [0,0,1,0,0,0|1,0,2]=4 2211 B16R1.700 C=CCNC(=O)NCC(O)c1ccccc1 273464a_100020586998_100000210709 [0,0,1,0,0,0|1,0,2]=4 2212 B16R1.700 C=CCNC(=O)NCC(O)c1ccccc1 512a_100020586998_100000210709 [0,0,1,0,0,0|1,0,2]=4 2213 B16R1.700 CC=CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100121576822 [0,0,1,0,0,0|1,0,2]=4 2214 B16R1.700 CC=CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100121576822 [0,0,1,0,0,0|1,0,2]=4 2215 B16R1.700 CCC=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000212282 [0,0,1,0,0,0|1,0,2]=4 2216 B16R1.700 COC=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100016268678 [0,0,1,0,0,0|2,0,1]=4 2217 B16R1.1582 C=CCC(C=C)OCC(O)c1ccccc1 34a_100000038011_100000185958 [0,0,1,0,0,0|2,0,1]=4 2218 B16R1.1582 C=CCC(C=C)OCC(O)c1ccccc1 7a_100000038011_100000185958 [0,0,1,0,0,0|2,0,1]=4 2219 B16R1.1582 C=CCC(C=C)OC[C@@H](O)c1ccccc1 34a_100000038011_100011933945 [0,0,1,0,0,0|2,0,1]=4 2220 B16R1.1582 C=CCC(C=C)OC[C@@H](O)c1ccccc1 7a_100000038011_100011933945 [0,0,1,0,0,0|2,0,1]=4 2221 B18R3.2100 c1ccc(nc1)CSC2Cc3c2cccc3 62a_100000721315_100009813401 [0,0,0,1,0,0|3,0,0]=4 2222 B18R3.2100 c1ccc(nc1)CSC2Cc3c2cccc3 62a_100009813401_100000721315 [0,0,0,1,0,0|3,0,0]=4 2223 B18R3.2100 c1ccc(nc1)NN=C2Cc3c2cccc3 4a_100000183288_100000051409 [0,0,0,1,0,0|2,0,1]=4 2224 B18R3.2109 c1cc(ccn1)C2CN(C2)c3ccncn3 27a_100015185986_100000703185 [0,0,0,1,0,0|3,0,0]=4 2225 B18R3.2109 c1cc(ccn1)C2CN(C2)c3cnccn3 27a_100015185986_100000211759 [0,0,0,1,0,0|3,0,0]=4 2226 B18R3.2109 c1cnc(nc1)N2CC(C2)c3cccnc3 27a_100015183634_100000211032 [0,0,0,1,0,0|3,0,0]=4 2227 B18R3.2109 c1cnc(nc1)N2CC(C2)c3ccncc3 27a_100015185986_100000211032 [0,0,0,1,0,0|3,0,0]=4 2228 B18R3.2109 c1cncc(c1)C2CN(C2)c3cccnn3 27a_100015183634_100016991348 [0,0,0,1,0,0|3,0,0]=4 2229 B18R3.2109 c1cncc(c1)C2CN(C2)c3ccncn3 27a_100015183634_100000703185 [0,0,0,1,0,0|3,0,0]=4 2230 B18R3.2109 c1cncc(c1)C2CN(C2)c3cnccn3 27a_100015183634_100000211759 [0,0,0,1,0,0|3,0,0]=4 2231 B18R3.2109 c1cnnc(c1)N2CC(C2)c3ccncc3 27a_100015185986_100016991348 [0,0,0,1,0,0|3,0,0]=4 2232 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2Nc3cccnn3 27a_100020588832_100016991348 [0,0,0,1,0,0|2,0,0]=3 2233 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2Nc3ccncn3 27a_100020588832_100000703185 [0,0,0,1,0,0|2,0,0]=3 2234 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2Nc3cnccn3 27a_100020588832_100000211759 [0,0,0,1,0,0|2,0,0]=3 2235 B18R3.2122 c1ccc(cc1)[C@H]2C[C@@H]2Nc3ncccn3 27a_100020588832_100000211032 [0,0,0,1,0,0|2,0,0]=3 2236 B16R2.88 CC(Cc1ccccc1)c2ccccc2 271570a_100000062452_100000210277 [0,0,0,0,1,0|2,0,0]=3 2237 B16R2.88 CC(Cc1ccccn1)c2ccccc2 271570a_100000062452_100011216584 [0,0,0,0,1,0|1,0,0]=2 2238 B16R2.88 CC(Cc1cccnc1)c2ccccc2 271570a_100000062452_100000752921 [0,0,0,0,1,0|3,0,0]=4 2239 B16R2.88 CC(Cc1cccnn1)c2ccccc2 271570a_100000062452_100016991348 [0,0,0,0,1,0|2,0,0]=3 2240 B16R2.88 CC(Cc1ccncc1)c2ccccc2 271570a_100000062452_100000035832 [0,0,0,0,1,0|3,0,0]=4 2241 B16R2.88 CC(Cc1ccncn1)c2ccccc2 271570a_100000062452_100000703185 [0,0,0,0,1,0|2,0,0]=3 2242 B16R2.88 CC(Cc1cnccn1)c2ccccc2 271570a_100000062452_100000758340 [0,0,0,0,1,0|2,0,0]=3 2243 B16R2.88 CC(Cc1ncccn1)c2ccccc2 271570a_100000062452_100000211032 [0,0,0,0,1,0|2,0,0]=3 2244 B16R2.88 CC(Nc1ccccc1)c2ccccc2 34a_100000106764_100000211855 [0,0,0,0,1,0|2,0,0]=3 2245 B16R2.88 CC(Nc1cccnn1)c2ccccn2 27a_100000181244_100016991348 [0,0,0,0,1,0|3,0,0]=4 2246 B16R2.88 CC(Nc1cccnn1)c2cccnc2 27a_100000195435_100016991348 [0,0,0,0,1,0|3,0,0]=4 2247 B16R2.88 CC(Nc1cccnn1)c2ccncc2 27a_100000181269_100016991348 [0,0,0,0,1,0|3,0,0]=4 2248 B16R2.88 CC(Nc1ccncn1)c2ccccn2 27a_100000181244_100000703185 [0,0,0,0,1,0|3,0,0]=4 2249 B16R2.88 CC(Nc1ccncn1)c2cccnc2 27a_100000195435_100000703185 [0,0,0,0,1,0|3,0,0]=4 2250 B16R2.88 CC(Nc1ccncn1)c2ccncc2 27a_100000181269_100000703185 [0,0,0,0,1,0|3,0,0]=4 2251 B16R2.88 CC(Nc1cnccn1)c2ccccn2 27a_100000181244_100000211759 [0,0,0,0,1,0|3,0,0]=4 2252 B16R2.88 CC(Nc1cnccn1)c2cccnc2 27a_100000195435_100000211759 [0,0,0,0,1,0|3,0,0]=4 2253 B16R2.88 CC(Nc1cnccn1)c2ccncc2 27a_100000181269_100000211759 [0,0,0,0,1,0|3,0,0]=4 2254 B16R2.88 CC(Nc1ncccn1)c2ccccn2 27a_100000181244_100000211032 [0,0,0,0,1,0|3,0,0]=4 2255 B16R2.88 CC(Nc1ncccn1)c2cccnc2 27a_100000195435_100000211032 [0,0,0,0,1,0|3,0,0]=4 2256 B16R2.88 CC(Nc1ncccn1)c2ccncc2 27a_100000181269_100000211032 [0,0,0,0,1,0|3,0,0]=4 2257 B16R2.88 CC(Oc1ccccc1)c2ccccc2 34a_100000210340_100000211855 [0,0,0,0,1,0|3,0,0]=4 2258 B16R2.88 CC(Oc1ccccc1)c2ccccc2 7a_100000210340_100000230085 [0,0,0,0,1,0|3,0,0]=4 2259 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000230085_100000041952 [0,0,0,0,1,0|3,0,0]=4 2260 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000719477_100000230085 [0,0,0,0,1,0|3,0,0]=4 2261 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100000230085_100011216584 [0,0,0,0,1,0|2,0,0]=3 2262 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100011216584_100000230085 [0,0,0,0,1,0|2,0,0]=3 2263 B16R2.88 CC(Sc1cccnn1)c2ccccc2 62a_100000230085_100016991348 [0,0,0,0,1,0|3,0,0]=4 2264 B16R2.88 CC(Sc1cccnn1)c2ccccc2 62a_100016991348_100000230085 [0,0,0,0,1,0|3,0,0]=4 2265 B16R2.88 CC(Sc1ccncn1)c2ccccc2 62a_100000230085_100000703185 [0,0,0,0,1,0|3,0,0]=4 2266 B16R2.88 CC(Sc1ccncn1)c2ccccc2 62a_100000703185_100000230085 [0,0,0,0,1,0|3,0,0]=4 2267 B16R2.88 CC(Sc1cnccn1)c2ccccc2 62a_100000211759_100000230085 [0,0,0,0,1,0|3,0,0]=4 2268 B16R2.88 CC(Sc1cnccn1)c2ccccc2 62a_100000230085_100000211759 [0,0,0,0,1,0|3,0,0]=4 2269 B16R2.88 CC(Sc1ncccn1)c2ccccc2 62a_100000211032_100000230085 [0,0,0,0,1,0|3,0,0]=4 2270 B16R2.88 CC(Sc1ncccn1)c2ccccc2 62a_100000230085_100000211032 [0,0,0,0,1,0|3,0,0]=4 2271 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000188819_200000210301 [0,0,0,0,1,0|3,0,0]=4 2272 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000210012_100015291786 [0,0,0,0,1,0|3,0,0]=4 2273 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200000210301 [0,0,0,0,1,0|3,0,0]=4 2274 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000210012_100000211182 [0,0,0,0,1,0|3,0,0]=4 2275 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000188819_200000210301 [0,0,0,0,1,0|3,0,0]=4 2276 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000210012_100015291786 [0,0,0,0,1,0|3,0,0]=4 2277 B16R2.88 CN(Cc1ccccn1)c2ccccc2 2230a_100000210012_100000721315 [0,0,0,0,1,0|2,0,0]=3 2278 B16R2.88 CN(Cc1ccccn1)c2ccccc2 269982a_100000210012_100000721315 [0,0,0,0,1,0|2,0,0]=3 2279 B16R2.88 CN(Cc1ccccn1)c2ccccc2 34a_100000210012_100000721315 [0,0,0,0,1,0|2,0,0]=3 2280 B16R2.88 CN(Cc1cccnn1)c2ccccc2 2230a_100000210012_100016990269 [0,0,0,0,1,0|3,0,0]=4 2281 B16R2.88 CN(Cc1cccnn1)c2ccccc2 34a_100000210012_100016990269 [0,0,0,0,1,0|3,0,0]=4 2282 B16R2.88 CN(Cc1cnccn1)c2ccccc2 2230a_100000210012_100016995436 [0,0,0,0,1,0|3,0,0]=4 2283 B16R2.88 CN(Cc1cnccn1)c2ccccc2 269982a_100000210012_100016995436 [0,0,0,0,1,0|3,0,0]=4 2284 B16R2.88 CN(Cc1cnccn1)c2ccccc2 34a_100000210012_100016995436 [0,0,0,0,1,0|3,0,0]=4 2285 B16R2.88 CN(Cc1ncccn1)c2ccccc2 2230a_100000210012_100000703007 [0,0,0,0,1,0|3,0,0]=4 2286 B16R2.88 CN(Cc1ncccn1)c2ccccc2 269982a_100000210012_100000703007 [0,0,0,0,1,0|3,0,0]=4 2287 B16R2.88 CN(Cc1ncccn1)c2ccccc2 34a_100000210012_100000703007 [0,0,0,0,1,0|3,0,0]=4 2288 B16R2.88 C[C@@H](Nc1cccnn1)c2ccccc2 27a_100000751104_100016991348 [0,0,0,0,1,0|2,0,0]=3 2289 B16R2.88 C[C@@H](Nc1ccncn1)c2ccccc2 27a_100000751104_100000703185 [0,0,0,0,1,0|2,0,0]=3 2290 B16R2.88 C[C@@H](Nc1cnccn1)c2ccccc2 27a_100000751104_100000211759 [0,0,0,0,1,0|2,0,0]=3 2291 B16R2.88 C[C@@H](Nc1ncccn1)c2ccccc2 27a_100000751104_100000211032 [0,0,0,0,1,0|2,0,0]=3 2292 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 1458a_100000185807_100015291786 [0,0,0,0,1,0|1,0,2]=4 2293 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 1458a_100000185807_100000721315 [0,0,0,0,1,0|0,0,2]=3 2294 B16R2.88 O=C(Cc1cccnn1)c2ccccc2 1458a_100000185807_100016990269 [0,0,0,0,1,0|1,0,2]=4 2295 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 1458a_100000185807_100016995436 [0,0,0,0,1,0|1,0,2]=4 2296 B16R2.88 O=C(Cc1ncccn1)c2ccccc2 1458a_100000185807_100000703007 [0,0,0,0,1,0|1,0,2]=4 2297 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 11a_100000106764_100000185807 [0,0,0,0,1,0|1,0,2]=4 2298 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 1626a_100000106764_100000185807 [0,0,0,0,1,0|1,0,2]=4 2299 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 22a_100000106764_100000185807 [0,0,0,0,1,0|1,0,2]=4 2300 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 527a_100000106764_100000185807 [0,0,0,0,1,0|1,0,2]=4 2301 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 2230a_100000188819_200025704644 [0,0,0,0,1,0|3,0,0]=4 2302 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 269982a_100000188819_200025704644 [0,0,0,0,1,0|3,0,0]=4 2303 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 34a_100000188819_200025704644 [0,0,0,0,1,0|3,0,0]=4 2304 B16R2.2238 OC(CNc1cccnn1)c2ccco2 27a_100000738650_100016991348 [0,0,0,0,1,0|2,0,0]=3 2305 B16R2.2238 OC(CNc1cccnn1)c2ccsc2 27a_100000758718_100016991348 [0,0,0,0,1,0|2,0,0]=3 2306 B16R2.2238 OC(CNc1ccncn1)c2ccco2 27a_100000738650_100000703185 [0,0,0,0,1,0|2,0,0]=3 2307 B16R2.2238 OC(CNc1ccncn1)c2ccsc2 27a_100000758718_100000703185 [0,0,0,0,1,0|2,0,0]=3 2308 B16R2.2238 OC(CNc1cnccn1)c2ccco2 27a_100000738650_100000211759 [0,0,0,0,1,0|2,0,0]=3 2309 B16R2.2238 OC(CNc1cnccn1)c2ccsc2 27a_100000758718_100000211759 [0,0,0,0,1,0|2,0,0]=3 2310 B16R2.2238 OC(CNc1ncccn1)c2ccco2 27a_100000738650_100000211032 [0,0,0,0,1,0|2,0,0]=3 2311 B16R2.2238 OC(CNc1ncccn1)c2ccsc2 27a_100000758718_100000211032 [0,0,0,0,1,0|2,0,0]=3 2312 B16R2.5767 CC(CNc1ncns1)c2ccccc2 27a_100000701038_100000693119 [0,0,0,0,1,0|3,0,0]=4 2313 B16R2.5767 CC(CNc1nncs1)c2ccccc2 27a_100000701038_100000739804 [0,0,0,0,1,0|3,0,0]=4 2314 B16R2.5767 CC(COc1ccsc1)c2ccccc2 34a_100000106738_100000756946 [0,0,0,0,1,0|3,0,0]=4 2315 B16R2.5767 CC(COc1ccsc1)c2ccccc2 7a_100000106738_100000756946 [0,0,0,0,1,0|3,0,0]=4 2316 B16R2.5767 CC(CSc1c[nH]cn1)c2ccccc2 62a_100000756875_100000756946 [0,0,0,0,1,0|3,0,0]=4 2317 B16R2.5767 CC(CSc1c[nH]cn1)c2ccccc2 62a_100000756946_100000756875 [0,0,0,0,1,0|3,0,0]=4 2318 B16R2.5767 CC(CSc1cc[nH]n1)c2ccccc2 62a_100000062575_100000756946 [0,0,0,0,1,0|3,0,0]=4 2319 B16R2.5767 CC(CSc1cc[nH]n1)c2ccccc2 62a_100000756946_100000062575 [0,0,0,0,1,0|3,0,0]=4 2320 B16R2.5767 CC(CSc1ccco1)c2ccccc2 62a_100000756946_100009814098 [0,0,0,0,1,0|3,0,0]=4 2321 B16R2.5767 CC(CSc1ccco1)c2ccccc2 62a_100009814098_100000756946 [0,0,0,0,1,0|3,0,0]=4 2322 B16R2.5767 CC(CSc1cccs1)c2ccccc2 62a_100000756946_100011215356 [0,0,0,0,1,0|3,0,0]=4 2323 B16R2.5767 CC(CSc1cccs1)c2ccccc2 62a_100011215356_100000756946 [0,0,0,0,1,0|3,0,0]=4 2324 B16R2.5767 CC(CSc1ccoc1)c2ccccc2 62a_100000756946_100011215275 [0,0,0,0,1,0|3,0,0]=4 2325 B16R2.5767 CC(CSc1ccoc1)c2ccccc2 62a_100011215275_100000756946 [0,0,0,0,1,0|3,0,0]=4 2326 B16R2.5767 CC(CSc1ccon1)c2ccccc2 62a_100000756946_100009818083 [0,0,0,0,1,0|3,0,0]=4 2327 B16R2.5767 CC(CSc1ccon1)c2ccccc2 62a_100009818083_100000756946 [0,0,0,0,1,0|3,0,0]=4 2328 B16R2.5767 CC(CSc1ccsc1)c2ccccc2 62a_100000738268_100000756946 [0,0,0,0,1,0|3,0,0]=4 2329 B16R2.5767 CC(CSc1ccsc1)c2ccccc2 62a_100000756946_100000738268 [0,0,0,0,1,0|3,0,0]=4 2330 B16R2.5767 CC(CSc1ccsn1)c2ccccc2 62a_100000756946_100009818082 [0,0,0,0,1,0|3,0,0]=4 2331 B16R2.5767 CC(CSc1ccsn1)c2ccccc2 62a_100009818082_100000756946 [0,0,0,0,1,0|3,0,0]=4 2332 B16R2.5767 CC(CSc1cscn1)c2ccccc2 62a_100000751502_100000756946 [0,0,0,0,1,0|3,0,0]=4 2333 B16R2.5767 CC(CSc1cscn1)c2ccccc2 62a_100000756946_100000751502 [0,0,0,0,1,0|3,0,0]=4 2334 B16R2.5767 CC(CSc1ncc[nH]1)c2ccccc2 62a_100000756946_100025796157 [0,0,0,0,1,0|3,0,0]=4 2335 B16R2.5767 CC(CSc1ncc[nH]1)c2ccccc2 62a_100025796157_100000756946 [0,0,0,0,1,0|3,0,0]=4 2336 B16R2.5767 CC(CSc1ncco1)c2ccccc2 62a_100000756946_100011787736 [0,0,0,0,1,0|3,0,0]=4 2337 B16R2.5767 CC(CSc1ncco1)c2ccccc2 62a_100011787736_100000756946 [0,0,0,0,1,0|3,0,0]=4 2338 B16R2.5767 CC(CSc1nccs1)c2ccccc2 62a_100000211983_100000756946 [0,0,0,0,1,0|3,0,0]=4 2339 B16R2.5767 CC(CSc1nccs1)c2ccccc2 62a_100000756946_100000211983 [0,0,0,0,1,0|3,0,0]=4 2340 B16R2.5767 OC(CNC1CC=CC1)c2ccccc2 2230a_100015188752_100000185958 [0,0,0,0,1,0|0,0,3]=4 2341 B16R2.5767 OC(CNc1ncns1)c2ccccc2 27a_100000210709_100000693119 [0,0,0,0,1,0|2,0,0]=3 2342 B16R2.5767 OC(CNc1ncns1)c2ccccn2 27a_100000691469_100000693119 [0,0,0,0,1,0|3,0,0]=4 2343 B16R2.5767 OC(CNc1ncns1)c2cccnc2 27a_100020605170_100000693119 [0,0,0,0,1,0|3,0,0]=4 2344 B16R2.5767 OC(CNc1nncs1)c2ccccc2 27a_100000210709_100000739804 [0,0,0,0,1,0|2,0,0]=3 2345 B16R2.5767 OC(CNc1nncs1)c2ccccn2 27a_100000691469_100000739804 [0,0,0,0,1,0|3,0,0]=4 2346 B16R2.5767 OC(CNc1nncs1)c2cccnc2 27a_100020605170_100000739804 [0,0,0,0,1,0|3,0,0]=4 2347 B16R2.5767 OC(COc1ccsc1)c2ccccc2 34a_100000106738_100000185958 [0,0,0,0,1,0|2,0,0]=3 2348 B16R2.5767 OC(COc1ccsc1)c2ccccc2 7a_100000106738_100000185958 [0,0,0,0,1,0|2,0,0]=3 2349 B16R2.5767 OC(CSc1c[nH]cn1)c2ccccc2 62a_100000185958_100000756875 [0,0,0,0,1,0|2,0,0]=3 2350 B16R2.5767 OC(CSc1c[nH]cn1)c2ccccc2 62a_100000756875_100000185958 [0,0,0,0,1,0|2,0,0]=3 2351 B16R2.5767 OC(CSc1c[nH]nn1)c2ccccc2 62a_100000185958_100009819707 [0,0,0,0,1,0|3,0,0]=4 2352 B16R2.5767 OC(CSc1c[nH]nn1)c2ccccc2 62a_100009819707_100000185958 [0,0,0,0,1,0|3,0,0]=4 2353 B16R2.5767 OC(CSc1cc[nH]n1)c2ccccc2 62a_100000062575_100000185958 [0,0,0,0,1,0|2,0,0]=3 2354 B16R2.5767 OC(CSc1cc[nH]n1)c2ccccc2 62a_100000185958_100000062575 [0,0,0,0,1,0|2,0,0]=3 2355 B16R2.5767 OC(CSc1ccco1)c2ccccc2 62a_100000185958_100009814098 [0,0,0,0,1,0|2,0,0]=3 2356 B16R2.5767 OC(CSc1ccco1)c2ccccc2 62a_100009814098_100000185958 [0,0,0,0,1,0|2,0,0]=3 2357 B16R2.5767 OC(CSc1cccs1)c2ccccc2 62a_100000185958_100011215356 [0,0,0,0,1,0|2,0,0]=3 2358 B16R2.5767 OC(CSc1cccs1)c2ccccc2 62a_100011215356_100000185958 [0,0,0,0,1,0|2,0,0]=3 2359 B16R2.5767 OC(CSc1ccoc1)c2ccccc2 62a_100000185958_100011215275 [0,0,0,0,1,0|2,0,0]=3 2360 B16R2.5767 OC(CSc1ccoc1)c2ccccc2 62a_100011215275_100000185958 [0,0,0,0,1,0|2,0,0]=3 2361 B16R2.5767 OC(CSc1ccon1)c2ccccc2 62a_100000185958_100009818083 [0,0,0,0,1,0|2,0,0]=3 2362 B16R2.5767 OC(CSc1ccon1)c2ccccc2 62a_100009818083_100000185958 [0,0,0,0,1,0|2,0,0]=3 2363 B16R2.5767 OC(CSc1ccsc1)c2ccccc2 62a_100000185958_100000738268 [0,0,0,0,1,0|2,0,0]=3 2364 B16R2.5767 OC(CSc1ccsc1)c2ccccc2 62a_100000738268_100000185958 [0,0,0,0,1,0|2,0,0]=3 2365 B16R2.5767 OC(CSc1ccsn1)c2ccccc2 62a_100000185958_100009818082 [0,0,0,0,1,0|2,0,0]=3 2366 B16R2.5767 OC(CSc1ccsn1)c2ccccc2 62a_100009818082_100000185958 [0,0,0,0,1,0|2,0,0]=3 2367 B16R2.5767 OC(CSc1cn[nH]c1)c2ccccc2 62a_100000185958_100000238712 [0,0,0,0,1,0|3,0,0]=4 2368 B16R2.5767 OC(CSc1cn[nH]c1)c2ccccc2 62a_100000238712_100000185958 [0,0,0,0,1,0|3,0,0]=4 2369 B16R2.5767 OC(CSc1cnco1)c2ccccc2 62a_100000185958_100020591547 [0,0,0,0,1,0|3,0,0]=4 2370 B16R2.5767 OC(CSc1cnco1)c2ccccc2 62a_100020591547_100000185958 [0,0,0,0,1,0|3,0,0]=4 2371 B16R2.5767 OC(CSc1cncs1)c2ccccc2 62a_100000185958_100011934649 [0,0,0,0,1,0|3,0,0]=4 2372 B16R2.5767 OC(CSc1cncs1)c2ccccc2 62a_100011934649_100000185958 [0,0,0,0,1,0|3,0,0]=4 2373 B16R2.5767 OC(CSc1cnoc1)c2ccccc2 62a_100000185958_100009815712 [0,0,0,0,1,0|3,0,0]=4 2374 B16R2.5767 OC(CSc1cnoc1)c2ccccc2 62a_100009815712_100000185958 [0,0,0,0,1,0|3,0,0]=4 2375 B16R2.5767 OC(CSc1cnsc1)c2ccccc2 62a_100000185958_100009815736 [0,0,0,0,1,0|3,0,0]=4 2376 B16R2.5767 OC(CSc1cnsc1)c2ccccc2 62a_100009815736_100000185958 [0,0,0,0,1,0|3,0,0]=4 2377 B16R2.5767 OC(CSc1cscn1)c2ccccc2 62a_100000185958_100000751502 [0,0,0,0,1,0|2,0,0]=3 2378 B16R2.5767 OC(CSc1cscn1)c2ccccc2 62a_100000751502_100000185958 [0,0,0,0,1,0|2,0,0]=3 2379 B16R2.5767 OC(CSc1nc[nH]n1)c2ccccc2 62a_100000185958_100000761765 [0,0,0,0,1,0|3,0,0]=4 2380 B16R2.5767 OC(CSc1nc[nH]n1)c2ccccc2 62a_100000761765_100000185958 [0,0,0,0,1,0|3,0,0]=4 2381 B16R2.5767 OC(CSc1ncc[nH]1)c2ccccc2 62a_100000185958_100025796157 [0,0,0,0,1,0|2,0,0]=3 2382 B16R2.5767 OC(CSc1ncc[nH]1)c2ccccc2 62a_100025796157_100000185958 [0,0,0,0,1,0|2,0,0]=3 2383 B16R2.5767 OC(CSc1ncco1)c2ccccc2 62a_100000185958_100011787736 [0,0,0,0,1,0|2,0,0]=3 2384 B16R2.5767 OC(CSc1ncco1)c2ccccc2 62a_100011787736_100000185958 [0,0,0,0,1,0|2,0,0]=3 2385 B16R2.5767 OC(CSc1nccs1)c2ccccc2 62a_100000185958_100000211983 [0,0,0,0,1,0|2,0,0]=3 2386 B16R2.5767 OC(CSc1nccs1)c2ccccc2 62a_100000211983_100000185958 [0,0,0,0,1,0|2,0,0]=3 2387 B16R2.5767 OC(CSc1ncns1)c2ccccc2 62a_100000185958_100000693119 [0,0,0,0,1,0|3,0,0]=4 2388 B16R2.5767 OC(CSc1ncns1)c2ccccc2 62a_100000693119_100000185958 [0,0,0,0,1,0|3,0,0]=4 2389 B16R2.5767 OC(CSc1nncs1)c2ccccc2 62a_100000185958_100000739804 [0,0,0,0,1,0|3,0,0]=4 2390 B16R2.5767 OC(CSc1nncs1)c2ccccc2 62a_100000739804_100000185958 [0,0,0,0,1,0|3,0,0]=4 2391 B16R2.5767 O[C@H](CNC1CC=CC1)c2ccccc2 2230a_100015188752_100011933945 [0,0,0,0,1,0|0,0,3]=4 2392 B16R2.5767 O[C@H](COc1ccsc1)c2ccccc2 34a_100000106738_100011933945 [0,0,0,0,1,0|2,0,0]=3 2393 B16R2.5767 O[C@H](COc1ccsc1)c2ccccc2 7a_100000106738_100011933945 [0,0,0,0,1,0|2,0,0]=3 2394 B16R2.5767 O[C@H](CSc1c[nH]cn1)c2ccccc2 62a_100000756875_100011933945 [0,0,0,0,1,0|2,0,0]=3 2395 B16R2.5767 O[C@H](CSc1c[nH]cn1)c2ccccc2 62a_100011933945_100000756875 [0,0,0,0,1,0|2,0,0]=3 2396 B16R2.5767 O[C@H](CSc1c[nH]nn1)c2ccccc2 62a_100009819707_100011933945 [0,0,0,0,1,0|3,0,0]=4 2397 B16R2.5767 O[C@H](CSc1c[nH]nn1)c2ccccc2 62a_100011933945_100009819707 [0,0,0,0,1,0|3,0,0]=4 2398 B16R2.5767 O[C@H](CSc1cc[nH]n1)c2ccccc2 62a_100000062575_100011933945 [0,0,0,0,1,0|2,0,0]=3 2399 B16R2.5767 O[C@H](CSc1cc[nH]n1)c2ccccc2 62a_100011933945_100000062575 [0,0,0,0,1,0|2,0,0]=3 2400 B16R2.5767 O[C@H](CSc1ccco1)c2ccccc2 62a_100009814098_100011933945 [0,0,0,0,1,0|2,0,0]=3 2401 B16R2.5767 O[C@H](CSc1ccco1)c2ccccc2 62a_100011933945_100009814098 [0,0,0,0,1,0|2,0,0]=3 2402 B16R2.5767 O[C@H](CSc1cccs1)c2ccccc2 62a_100011215356_100011933945 [0,0,0,0,1,0|2,0,0]=3 2403 B16R2.5767 O[C@H](CSc1cccs1)c2ccccc2 62a_100011933945_100011215356 [0,0,0,0,1,0|2,0,0]=3 2404 B16R2.5767 O[C@H](CSc1ccoc1)c2ccccc2 62a_100011215275_100011933945 [0,0,0,0,1,0|2,0,0]=3 2405 B16R2.5767 O[C@H](CSc1ccoc1)c2ccccc2 62a_100011933945_100011215275 [0,0,0,0,1,0|2,0,0]=3 2406 B16R2.5767 O[C@H](CSc1ccon1)c2ccccc2 62a_100009818083_100011933945 [0,0,0,0,1,0|2,0,0]=3 2407 B16R2.5767 O[C@H](CSc1ccon1)c2ccccc2 62a_100011933945_100009818083 [0,0,0,0,1,0|2,0,0]=3 2408 B16R2.5767 O[C@H](CSc1ccsc1)c2ccccc2 62a_100000738268_100011933945 [0,0,0,0,1,0|2,0,0]=3 2409 B16R2.5767 O[C@H](CSc1ccsc1)c2ccccc2 62a_100011933945_100000738268 [0,0,0,0,1,0|2,0,0]=3 2410 B16R2.5767 O[C@H](CSc1ccsn1)c2ccccc2 62a_100009818082_100011933945 [0,0,0,0,1,0|2,0,0]=3 2411 B16R2.5767 O[C@H](CSc1ccsn1)c2ccccc2 62a_100011933945_100009818082 [0,0,0,0,1,0|2,0,0]=3 2412 B16R2.5767 O[C@H](CSc1cn[nH]c1)c2ccccc2 62a_100000238712_100011933945 [0,0,0,0,1,0|3,0,0]=4 2413 B16R2.5767 O[C@H](CSc1cn[nH]c1)c2ccccc2 62a_100011933945_100000238712 [0,0,0,0,1,0|3,0,0]=4 2414 B16R2.5767 O[C@H](CSc1cnco1)c2ccccc2 62a_100011933945_100020591547 [0,0,0,0,1,0|3,0,0]=4 2415 B16R2.5767 O[C@H](CSc1cnco1)c2ccccc2 62a_100020591547_100011933945 [0,0,0,0,1,0|3,0,0]=4 2416 B16R2.5767 O[C@H](CSc1cncs1)c2ccccc2 62a_100011933945_100011934649 [0,0,0,0,1,0|3,0,0]=4 2417 B16R2.5767 O[C@H](CSc1cncs1)c2ccccc2 62a_100011934649_100011933945 [0,0,0,0,1,0|3,0,0]=4 2418 B16R2.5767 O[C@H](CSc1cnoc1)c2ccccc2 62a_100009815712_100011933945 [0,0,0,0,1,0|3,0,0]=4 2419 B16R2.5767 O[C@H](CSc1cnoc1)c2ccccc2 62a_100011933945_100009815712 [0,0,0,0,1,0|3,0,0]=4 2420 B16R2.5767 O[C@H](CSc1cnsc1)c2ccccc2 62a_100009815736_100011933945 [0,0,0,0,1,0|3,0,0]=4 2421 B16R2.5767 O[C@H](CSc1cnsc1)c2ccccc2 62a_100011933945_100009815736 [0,0,0,0,1,0|3,0,0]=4 2422 B16R2.5767 O[C@H](CSc1cscn1)c2ccccc2 62a_100000751502_100011933945 [0,0,0,0,1,0|2,0,0]=3 2423 B16R2.5767 O[C@H](CSc1cscn1)c2ccccc2 62a_100011933945_100000751502 [0,0,0,0,1,0|2,0,0]=3 2424 B16R2.5767 O[C@H](CSc1nc[nH]n1)c2ccccc2 62a_100000761765_100011933945 [0,0,0,0,1,0|3,0,0]=4 2425 B16R2.5767 O[C@H](CSc1nc[nH]n1)c2ccccc2 62a_100011933945_100000761765 [0,0,0,0,1,0|3,0,0]=4 2426 B16R2.5767 O[C@H](CSc1ncc[nH]1)c2ccccc2 62a_100011933945_100025796157 [0,0,0,0,1,0|2,0,0]=3 2427 B16R2.5767 O[C@H](CSc1ncc[nH]1)c2ccccc2 62a_100025796157_100011933945 [0,0,0,0,1,0|2,0,0]=3 2428 B16R2.5767 O[C@H](CSc1ncco1)c2ccccc2 62a_100011787736_100011933945 [0,0,0,0,1,0|2,0,0]=3 2429 B16R2.5767 O[C@H](CSc1ncco1)c2ccccc2 62a_100011933945_100011787736 [0,0,0,0,1,0|2,0,0]=3 2430 B16R2.5767 O[C@H](CSc1nccs1)c2ccccc2 62a_100000211983_100011933945 [0,0,0,0,1,0|2,0,0]=3 2431 B16R2.5767 O[C@H](CSc1nccs1)c2ccccc2 62a_100011933945_100000211983 [0,0,0,0,1,0|2,0,0]=3 2432 B16R2.5767 O[C@H](CSc1ncns1)c2ccccc2 62a_100000693119_100011933945 [0,0,0,0,1,0|3,0,0]=4 2433 B16R2.5767 O[C@H](CSc1ncns1)c2ccccc2 62a_100011933945_100000693119 [0,0,0,0,1,0|3,0,0]=4 2434 B16R2.5767 O[C@H](CSc1nncs1)c2ccccc2 62a_100000739804_100011933945 [0,0,0,0,1,0|3,0,0]=4 2435 B16R2.5767 O[C@H](CSc1nncs1)c2ccccc2 62a_100011933945_100000739804 [0,0,0,0,1,0|3,0,0]=4 2436 B18R2.2429 CC(CNc1cccnn1)Oc2ccccc2 27a_100000755676_100016991348 [0,0,0,0,0,1|2,0,0]=3 2437 B18R2.2429 CC(CNc1cccnn1)Oc2cccnc2 27a_200011219418_100016991348 [0,0,0,0,0,1|3,0,0]=4 2438 B18R2.2429 CC(CNc1ccncn1)Oc2ccccc2 27a_100000755676_100000703185 [0,0,0,0,0,1|2,0,0]=3 2439 B18R2.2429 CC(CNc1ccncn1)Oc2cccnc2 27a_200011219418_100000703185 [0,0,0,0,0,1|3,0,0]=4 2440 B18R2.2429 CC(CNc1cnccn1)Oc2ccccc2 27a_100000755676_100000211759 [0,0,0,0,0,1|2,0,0]=3 2441 B18R2.2429 CC(CNc1cnccn1)Oc2cccnc2 27a_200011219418_100000211759 [0,0,0,0,0,1|3,0,0]=4 2442 B18R2.2429 CC(CNc1ncccn1)Oc2ccccc2 27a_100000755676_100000211032 [0,0,0,0,0,1|2,0,0]=3 2443 B18R2.2429 CC(CNc1ncccn1)Oc2cccnc2 27a_200011219418_100000211032 [0,0,0,0,0,1|3,0,0]=4 2444 B18R2.2429 CC(Cc1ccccc1)OCc2ccccn2 34a_100000748627_100000721315 [0,0,0,0,0,1|3,0,0]=4 2445 B18R2.2429 CC(Cc1ccccc1)OCc2ccccn2 7a_100000748627_100000721315 [0,0,0,0,0,1|3,0,0]=4 2446 B18R2.2429 CC(Cc1ccccc1)SCc2ccccn2 62a_100000721315_200011218536 [0,0,0,0,0,1|3,0,0]=4 2447 B18R2.2429 CC(Cc1ccccc1)SCc2ccccn2 62a_200011218536_100000721315 [0,0,0,0,0,1|3,0,0]=4 2448 B18R2.2429 CN(CCc1ccccn1)Cc2ccccc2 2230a_100000186898_100015183660 [0,0,0,0,0,1|3,0,0]=4 2449 B18R2.2429 CN(CCc1ccccn1)Cc2ccccc2 2230a_100000737206_100015291786 [0,0,0,0,0,1|3,0,0]=4 2450 B18R2.2429 CN(CCc1ccccn1)Cc2ccccc2 269982a_100000186898_100015183660 [0,0,0,0,0,1|3,0,0]=4 2451 B18R2.2429 CN(CCc1ccccn1)Cc2ccccc2 269982a_100000737206_100000211182 [0,0,0,0,0,1|3,0,0]=4 2452 B18R2.2429 CN(CCc1ccccn1)Cc2ccccc2 270004a_100000737206_100015611070 [0,0,0,0,0,1|3,0,0]=4 2453 B18R2.2429 O=C(CCc1ccccn1)Cc2ccccc2 1458a_100015195070_100015291786 [0,0,0,0,0,1|1,0,2]=4 2454 B18R2.2429 O=C(CCc1ccccn1)Nc2ccccc2 11a_100000106764_100015195070 [0,0,0,0,0,1|1,0,2]=4 2455 B18R2.2429 O=C(CCc1ccccn1)Nc2ccccc2 22a_100000106764_100015195070 [0,0,0,0,0,1|1,0,2]=4 2456 B18R2.2429 O=C(CCc1ccccn1)Nc2ccccc2 527a_100000106764_100015195070 [0,0,0,0,0,1|1,0,2]=4 2457 B18R2.2429 O=C(CNc1ccccc1)Nc2ccccc2 34a_100000106764_100000182850 [0,0,0,0,0,1|1,0,2]=4 2458 B18R2.2429 O=C(CNc1ccccc1)Oc2ccccc2 34a_100000106764_100009813826 [0,0,0,0,0,1|1,0,2]=4 2459 B18R2.2429 O=C(CNc1cccnn1)Nc2ccccc2 27a_100000742222_100016991348 [0,0,0,0,0,1|1,0,2]=4 2460 B18R2.2429 O=C(CNc1ccncn1)Nc2ccccc2 27a_100000742222_100000703185 [0,0,0,0,0,1|1,0,2]=4 2461 B18R2.2429 O=C(CNc1cnccn1)Nc2ccccc2 27a_100000742222_100000211759 [0,0,0,0,0,1|1,0,2]=4 2462 B18R2.2429 O=C(CNc1ncccn1)Nc2ccccc2 27a_100000742222_100000211032 [0,0,0,0,0,1|1,0,2]=4 2463 B18R2.2429 O=C(COc1ccccn1)Cc2ccccc2 1458a_100102699861_100015291786 [0,0,0,0,0,1|1,0,2]=4 2464 B18R2.2429 O=C(COc1ccccn1)Nc2ccccc2 1626a_100000106764_100102699861 [0,0,0,0,0,1|1,0,2]=4 2465 B18R2.2429 O=C(COc1ccccn1)Nc2ccccc2 22a_100000106764_100102699861 [0,0,0,0,0,1|1,0,2]=4 2466 B18R2.2429 O=C(COc1ccccn1)Nc2ccccc2 527a_100000106764_100102699861 [0,0,0,0,0,1|1,0,2]=4 2467 B18R2.2429 O=C(CSc1ccccn1)Cc2ccccc2 1458a_100000156281_100015291786 [0,0,0,0,0,1|1,0,2]=4 2468 B18R2.2429 O=C(CSc1ccccn1)Cc2ccccc2 62a_100000233483_100011216584 [0,0,0,0,0,1|1,0,2]=4 2469 B18R2.2429 O=C(CSc1ccccn1)Cc2ccccc2 62a_100011216584_100000233483 [0,0,0,0,0,1|1,0,2]=4 2470 B18R2.2429 O=C(CSc1ccccn1)Nc2ccccc2 11a_100000106764_100000156281 [0,0,0,0,0,1|1,0,2]=4 2471 B18R2.2429 O=C(CSc1ccccn1)Nc2ccccc2 22a_100000106764_100000156281 [0,0,0,0,0,1|1,0,2]=4 2472 B18R2.2429 O=C(CSc1ccccn1)Nc2ccccc2 527a_100000106764_100000156281 [0,0,0,0,0,1|1,0,2]=4 2473 B18R2.2429 O=C(CSc1ccccn1)Nc2ccccc2 62a_100011216584_100000182850 [0,0,0,0,0,1|1,0,2]=4 2474 B18R2.2429 O=C(CSc1ccccn1)Nc2ccccc2 62a_100012148978_100011216584 [0,0,0,0,0,1|1,0,2]=4 2475 B18R2.2429 O=C(CSc1ccccn1)Oc2ccccc2 62a_100009813826_100011216584 [0,0,0,0,0,1|1,0,2]=4 2476 B18R2.2429 O=C(CSc1ccccn1)Oc2ccccc2 62a_100011216584_100009813826 [0,0,0,0,0,1|1,0,2]=4 2477 B18R2.2429 OC(CNc1cccnn1)Cc2ccccc2 27a_100000752270_100016991348 [0,0,0,0,0,1|1,0,0]=2 2478 B18R2.2429 OC(CNc1ccncn1)Cc2ccccc2 27a_100000752270_100000703185 [0,0,0,0,0,1|1,0,0]=2 2479 B18R2.2429 OC(CNc1cnccn1)Cc2ccccc2 27a_100000752270_100000211759 [0,0,0,0,0,1|1,0,0]=2 2480 B18R2.2429 OC(CNc1ncccn1)Cc2ccccc2 27a_100000752270_100000211032 [0,0,0,0,0,1|1,0,0]=2 2481 B18R2.2429 O[C@H](CNc1ccccc1)Cc2ccccc2 34a_100000106764_100000729385 [0,0,0,0,0,1|1,0,0]=2 2482 B18R2.2429 O[C@H](COc1ccccc1)Cc2ccccc2 34a_100000210340_100000729385 [0,0,0,0,0,1|2,0,0]=3 2483 B18R2.2429 O[C@H](COc1ccccc1)Cc2ccccc2 7a_100000210340_100000729385 [0,0,0,0,0,1|2,0,0]=3 2484 B18R2.2429 O[C@H](COc1cccnc1)Cc2ccccc2 34a_100000210849_100000729385 [0,0,0,0,0,1|3,0,0]=4 2485 B18R2.2429 O[C@H](COc1cccnc1)Cc2ccccc2 7a_100000210849_100000729385 [0,0,0,0,0,1|3,0,0]=4 2486 B18R2.2429 O[C@H](COc1ccncc1)Cc2ccccc2 34a_100000212176_100000729385 [0,0,0,0,0,1|3,0,0]=4 2487 B18R2.2429 O[C@H](CSc1ccccc1)Cc2ccccc2 62a_100000719477_100000729385 [0,0,0,0,0,1|2,0,0]=3 2488 B18R2.2429 O[C@H](CSc1ccccc1)Cc2ccccc2 62a_100000729385_100000041952 [0,0,0,0,0,1|2,0,0]=3 2489 B18R2.2429 O[C@H](CSc1ccccn1)Cc2ccccc2 62a_100000729385_100011216584 [0,0,0,0,0,1|1,0,0]=2 2490 B18R2.2429 O[C@H](CSc1ccccn1)Cc2ccccc2 62a_100011216584_100000729385 [0,0,0,0,0,1|1,0,0]=2 2491 B18R2.2429 O[C@H](CSc1cccnc1)Cc2ccccc2 62a_100000210063_100000729385 [0,0,0,0,0,1|3,0,0]=4 2492 B18R2.2429 O[C@H](CSc1cccnc1)Cc2ccccc2 62a_100000729385_100000210063 [0,0,0,0,0,1|3,0,0]=4 2493 B18R2.2429 O[C@H](CSc1cccnn1)Cc2ccccc2 62a_100000729385_100016991348 [0,0,0,0,0,1|2,0,0]=3 2494 B18R2.2429 O[C@H](CSc1cccnn1)Cc2ccccc2 62a_100016991348_100000729385 [0,0,0,0,0,1|2,0,0]=3 2495 B18R2.2429 O[C@H](CSc1ccncc1)Cc2ccccc2 62a_100000728582_100000729385 [0,0,0,0,0,1|3,0,0]=4 2496 B18R2.2429 O[C@H](CSc1ccncc1)Cc2ccccc2 62a_100000729385_100000728582 [0,0,0,0,0,1|3,0,0]=4 2497 B18R2.2429 O[C@H](CSc1ccncn1)Cc2ccccc2 62a_100000703185_100000729385 [0,0,0,0,0,1|2,0,0]=3 2498 B18R2.2429 O[C@H](CSc1ccncn1)Cc2ccccc2 62a_100000729385_100000703185 [0,0,0,0,0,1|2,0,0]=3 2499 B18R2.2429 O[C@H](CSc1cnccn1)Cc2ccccc2 62a_100000211759_100000729385 [0,0,0,0,0,1|2,0,0]=3 2500 B18R2.2429 O[C@H](CSc1cnccn1)Cc2ccccc2 62a_100000729385_100000211759 [0,0,0,0,0,1|2,0,0]=3 2501 B18R2.2429 O[C@H](CSc1ncccn1)Cc2ccccc2 62a_100000211032_100000729385 [0,0,0,0,0,1|2,0,0]=3 2502 B18R2.2429 O[C@H](CSc1ncccn1)Cc2ccccc2 62a_100000729385_100000211032 [0,0,0,0,0,1|2,0,0]=3 2503 B18R2.7189 CC(=NNCc1ccccn1)c2ccccc2 4a_100000736832_100000185851 [0,0,0,0,0,1|2,0,1]=4 2504 B18R2.7189 CC(C=NNc1ccccc1)c2ccccc2 4a_100015195140_100000212034 [0,0,0,0,0,1|2,0,1]=4 2505 B18R2.7189 CC(C=NNc1ccccn1)c2ccccc2 4a_100000183288_100000212034 [0,0,0,0,0,1|1,0,1]=3 2506 B18R2.7189 CC(C=NNc1cccnn1)c2ccccc2 4a_100000757824_100000212034 [0,0,0,0,0,1|2,0,1]=4 2507 B18R2.7189 CC(C=NNc1ccncn1)c2ccccc2 4a_100011438088_100000212034 [0,0,0,0,0,1|2,0,1]=4 2508 B18R2.7189 CC(C=NNc1cnccn1)c2ccccc2 4a_100000736894_100000212034 [0,0,0,0,0,1|2,0,1]=4 2509 B18R2.7189 CC(C=NNc1ncccn1)c2ccccc2 4a_100000736892_100000212034 [0,0,0,0,0,1|2,0,1]=4 2510 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 207a_100000701038_100015611070 [0,0,0,0,0,1|2,0,0]=3 2511 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 2230a_100000701038_100015291786 [0,0,0,0,0,1|2,0,0]=3 2512 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 2230a_100015324214_100000756946 [0,0,0,0,0,1|2,0,0]=3 2513 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 270004a_100000701038_100015611070 [0,0,0,0,0,1|2,0,0]=3 2514 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 270004a_100015324214_100000212034 [0,0,0,0,0,1|2,0,0]=3 2515 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 34a_100000701038_100015291786 [0,0,0,0,0,1|2,0,0]=3 2516 B18R2.7189 CC(CNCc1ccccc1)c2ccccc2 34a_100015324214_100000756946 [0,0,0,0,0,1|2,0,0]=3 2517 B18R2.7189 CC(CNCc1ccccn1)c2ccccc2 207a_100000701038_100000209966 [0,0,0,0,0,1|1,0,0]=2 2518 B18R2.7189 CC(CNCc1ccccn1)c2ccccc2 2230a_100000701038_100000721315 [0,0,0,0,0,1|1,0,0]=2 2519 B18R2.7189 CC(CNCc1ccccn1)c2ccccc2 270004a_100000210449_100000212034 [0,0,0,0,0,1|1,0,0]=2 2520 B18R2.7189 CC(CNCc1ccccn1)c2ccccc2 270004a_100000701038_100000209966 [0,0,0,0,0,1|1,0,0]=2 2521 B18R2.7189 CC(CNCc1ccccn1)c2ccccc2 34a_100000701038_100000721315 [0,0,0,0,0,1|1,0,0]=2 2522 B18R2.7189 CC(CNCc1cccnc1)c2ccccc2 207a_100000701038_100000209961 [0,0,0,0,0,1|3,0,0]=4 2523 B18R2.7189 CC(CNCc1cccnc1)c2ccccc2 2230a_100000701038_100000741622 [0,0,0,0,0,1|3,0,0]=4 2524 B18R2.7189 CC(CNCc1cccnc1)c2ccccc2 270004a_100000210453_100000212034 [0,0,0,0,0,1|3,0,0]=4 2525 B18R2.7189 CC(CNCc1cccnc1)c2ccccc2 270004a_100000701038_100000209961 [0,0,0,0,0,1|3,0,0]=4 2526 B18R2.7189 CC(CNCc1cccnc1)c2ccccc2 34a_100000701038_100000733263 [0,0,0,0,0,1|3,0,0]=4 2527 B18R2.7189 CC(CNCc1cccnn1)c2ccccc2 2230a_100000701038_100016990269 [0,0,0,0,0,1|2,0,0]=3 2528 B18R2.7189 CC(CNCc1cccnn1)c2ccccc2 2230a_100159270163_100000756946 [0,0,0,0,0,1|2,0,0]=3 2529 B18R2.7189 CC(CNCc1cccnn1)c2ccccc2 34a_100000701038_100016990269 [0,0,0,0,0,1|2,0,0]=3 2530 B18R2.7189 CC(CNCc1ccncc1)c2ccccc2 207a_100000701038_100000186114 [0,0,0,0,0,1|3,0,0]=4 2531 B18R2.7189 CC(CNCc1ccncc1)c2ccccc2 2230a_100000701038_100015193705 [0,0,0,0,0,1|3,0,0]=4 2532 B18R2.7189 CC(CNCc1cnccn1)c2ccccc2 2230a_100000701038_100016995436 [0,0,0,0,0,1|2,0,0]=3 2533 B18R2.7189 CC(CNCc1cnccn1)c2ccccc2 270004a_100000701038_100000749867 [0,0,0,0,0,1|2,0,0]=3 2534 B18R2.7189 CC(CNCc1cnccn1)c2ccccc2 34a_100000701038_100016995436 [0,0,0,0,0,1|2,0,0]=3 2535 B18R2.7189 CC(CNCc1ncccn1)c2ccccc2 2230a_100000701038_100000703007 [0,0,0,0,0,1|2,0,0]=3 2536 B18R2.7189 CC(CNCc1ncccn1)c2ccccc2 270004a_100000701038_100011532527 [0,0,0,0,0,1|2,0,0]=3 2537 B18R2.7189 CC(CNCc1ncccn1)c2ccccc2 34a_100000701038_100000703007 [0,0,0,0,0,1|2,0,0]=3 2538 B18R2.7189 CC(COCc1ccccc1)c2ccccc2 34a_100000210790_100000756946 [0,0,0,0,0,1|3,0,0]=4 2539 B18R2.7189 CC(COCc1ccccc1)c2ccccc2 34a_100011215166_100015291786 [0,0,0,0,0,1|3,0,0]=4 2540 B18R2.7189 CC(COCc1ccccc1)c2ccccc2 7a_100000210790_100000756946 [0,0,0,0,0,1|3,0,0]=4 2541 B18R2.7189 CC(COCc1ccccc1)c2ccccc2 7a_100011215166_100000211182 [0,0,0,0,0,1|3,0,0]=4 2542 B18R2.7189 CC(COCc1ccccn1)c2ccccc2 34a_100011215166_100000721315 [0,0,0,0,0,1|2,0,0]=3 2543 B18R2.7189 CC(COCc1ccccn1)c2ccccc2 7a_100011215166_100000721315 [0,0,0,0,0,1|2,0,0]=3 2544 B18R2.7189 CC(COCc1cccnn1)c2ccccc2 34a_100011215166_100016990269 [0,0,0,0,0,1|3,0,0]=4 2545 B18R2.7189 CC(COCc1cccnn1)c2ccccc2 7a_100011215166_100016990269 [0,0,0,0,0,1|3,0,0]=4 2546 B18R2.7189 CC(COCc1cnccn1)c2ccccc2 34a_100011215166_100016995436 [0,0,0,0,0,1|3,0,0]=4 2547 B18R2.7189 CC(COCc1cnccn1)c2ccccc2 7a_100011215166_100016995436 [0,0,0,0,0,1|3,0,0]=4 2548 B18R2.7189 CC(COCc1ncccn1)c2ccccc2 34a_100011215166_100000703007 [0,0,0,0,0,1|3,0,0]=4 2549 B18R2.7189 CC(COCc1ncccn1)c2ccccc2 7a_100011215166_100000703007 [0,0,0,0,0,1|3,0,0]=4 2550 B18R2.7189 CC(CSCc1ccccc1)c2ccccc2 62a_100000211182_100000756946 [0,0,0,0,0,1|3,0,0]=4 2551 B18R2.7189 CC(CSCc1ccccc1)c2ccccc2 62a_100000756946_100015291786 [0,0,0,0,0,1|3,0,0]=4 2552 B18R2.7189 CC(CSCc1ccccn1)c2ccccc2 62a_100000721315_100000756946 [0,0,0,0,0,1|2,0,0]=3 2553 B18R2.7189 CC(CSCc1ccccn1)c2ccccc2 62a_100000756946_100000721315 [0,0,0,0,0,1|2,0,0]=3 2554 B18R2.7189 CC(CSCc1cccnn1)c2ccccc2 62a_100000756946_100016990269 [0,0,0,0,0,1|3,0,0]=4 2555 B18R2.7189 CC(CSCc1cccnn1)c2ccccc2 62a_100016990269_100000756946 [0,0,0,0,0,1|3,0,0]=4 2556 B18R2.7189 CC(CSCc1cnccn1)c2ccccc2 62a_100000756946_100016995436 [0,0,0,0,0,1|3,0,0]=4 2557 B18R2.7189 CC(CSCc1cnccn1)c2ccccc2 62a_100016995436_100000756946 [0,0,0,0,0,1|3,0,0]=4 2558 B18R2.7189 CC(CSCc1ncccn1)c2ccccc2 62a_100000703007_100000756946 [0,0,0,0,0,1|3,0,0]=4 2559 B18R2.7189 CC(CSCc1ncccn1)c2ccccc2 62a_100000756946_100000703007 [0,0,0,0,0,1|3,0,0]=4 2560 B18R2.7189 CC(NCCc1ccccc1)c2ccccc2 2230a_100000106460_100000230085 [0,0,0,0,0,1|3,0,0]=4 2561 B18R2.7189 CC(NCCc1ccccc1)c2ccccc2 269862a_100000106460_100000185851 [0,0,0,0,0,1|3,0,0]=4 2562 B18R2.7189 CC(NCCc1ccccc1)c2ccccc2 34a_100000106460_100000211855 [0,0,0,0,0,1|3,0,0]=4 2563 B18R2.7189 CC(NCCc1ccccn1)c2ccccc2 269862a_100000211156_100000185851 [0,0,0,0,0,1|2,0,0]=3 2564 B18R2.7189 CC(NCCc1ccccn1)c2ccccn2 2230a_100000181244_100015183660 [0,0,0,0,0,1|3,0,0]=4 2565 B18R2.7189 CC(NCCc1ccccn1)c2ccccn2 269862a_100000211156_100000210467 [0,0,0,0,0,1|3,0,0]=4 2566 B18R2.7189 CC(NCCc1ccccn1)c2cccnc2 2230a_100000195435_100015183660 [0,0,0,0,0,1|3,0,0]=4 2567 B18R2.7189 CC(NCCc1ccccn1)c2cccnc2 269862a_100000211156_100000210468 [0,0,0,0,0,1|3,0,0]=4 2568 B18R2.7189 CC(NCCc1ccccn1)c2ccncc2 2230a_100000181269_100015183660 [0,0,0,0,0,1|3,0,0]=4 2569 B18R2.7189 CC(NCCc1ccccn1)c2ccncc2 269862a_100000211156_100000185792 [0,0,0,0,0,1|3,0,0]=4 2570 B18R2.7189 CC(NCCc1cnccn1)c2ccccc2 269862a_100000723456_100000185851 [0,0,0,0,0,1|3,0,0]=4 2571 B18R2.7189 CC(OCCc1ccccc1)c2ccccc2 34a_100000210268_100000211855 [0,0,0,0,0,1|3,0,0]=4 2572 B18R2.7189 CC(OCCc1ccccc1)c2ccccc2 7a_100000210268_100000230085 [0,0,0,0,0,1|3,0,0]=4 2573 B18R2.7189 CC(OCCc1ccccn1)c2ccccc2 34a_100000210271_100000211855 [0,0,0,0,0,1|2,0,0]=3 2574 B18R2.7189 CC(OCCc1cnccn1)c2ccccc2 34a_100011349526_100000211855 [0,0,0,0,0,1|3,0,0]=4 2575 B18R2.7189 CC(SCCc1ccccc1)c2ccccc2 62a_100000230085_100011218657 [0,0,0,0,0,1|3,0,0]=4 2576 B18R2.7189 CC(SCCc1ccccc1)c2ccccc2 62a_100000765856_100000230085 [0,0,0,0,0,1|3,0,0]=4 2577 B18R2.7189 CC(SCCc1ccccn1)c2ccccc2 62a_100000230085_100015183660 [0,0,0,0,0,1|2,0,0]=3 2578 B18R2.7189 CC(SCCc1ccccn1)c2ccccc2 62a_100015183660_100000230085 [0,0,0,0,0,1|2,0,0]=3 2579 B18R2.7189 CN(CCNc1cccnn1)c2ccccc2 27a_100000231046_100016991348 [0,0,0,0,0,1|3,0,0]=4 2580 B18R2.7189 CN(CCNc1ccncn1)c2ccccc2 27a_100000231046_100000703185 [0,0,0,0,0,1|3,0,0]=4 2581 B18R2.7189 CN(CCNc1cnccn1)c2ccccc2 27a_100000231046_100000211759 [0,0,0,0,0,1|3,0,0]=4 2582 B18R2.7189 CN(CCNc1ncccn1)c2ccccc2 27a_100000231046_100000211032 [0,0,0,0,0,1|3,0,0]=4 2583 B18R2.7189 C[C@@H](NCCc1ccccc1)c2ccccc2 2230a_100000751104_100000765856 [0,0,0,0,0,1|3,0,0]=4 2584 B18R2.7189 C[C@@H](NCCc1ccccn1)c2ccccc2 2230a_100000751104_100015183660 [0,0,0,0,0,1|2,0,0]=3 2585 B18R2.7189 C[C@@H](NCSc1ccccc1)c2ccccc2 2230a_100000751104_100011218342 [0,0,0,0,0,1|3,0,0]=4 2586 B18R2.7189 C[C@@H](OCCc1ccccc1)c2ccccc2 34a_100000761318_100000765856 [0,0,0,0,0,1|3,0,0]=4 2587 B18R2.7189 C[C@@H](OCCc1ccccc1)c2ccccc2 7a_100000761318_100000765856 [0,0,0,0,0,1|3,0,0]=4 2588 B18R2.7189 C[C@@H](OCCc1ccccn1)c2ccccc2 7a_100000761318_100015183660 [0,0,0,0,0,1|2,0,0]=3 2589 B18R2.7189 N[C@H](COCc1ccccc1)c2ccccc2 34a_100000751927_100015291786 [0,0,0,0,0,1|3,0,0]=4 2590 B18R2.7189 N[C@H](COCc1ccccn1)c2ccccc2 34a_100000751927_100000721315 [0,0,0,0,0,1|2,0,0]=3 2591 B18R2.7189 N[C@H](COCc1ccccn1)c2ccncc2 34a_100138412524_100000721315 [0,0,0,0,0,1|3,0,0]=4 2592 B18R2.7189 N[C@H](COCc1cccnn1)c2ccccc2 34a_100000751927_100016990269 [0,0,0,0,0,1|3,0,0]=4 2593 B18R2.7189 N[C@H](COCc1cnccn1)c2ccccc2 34a_100000751927_100016995436 [0,0,0,0,0,1|3,0,0]=4 2594 B18R2.7189 N[C@H](COCc1ncccn1)c2ccccc2 34a_100000751927_100000703007 [0,0,0,0,0,1|3,0,0]=4 2595 B18R2.7189 O=C(CCSc1ccccn1)c2ccccc2 62a_100000750707_100011216584 [0,0,0,0,0,1|1,0,2]=4 2596 B18R2.7189 O=C(CCSc1ccccn1)c2ccccc2 62a_100011216584_100000750707 [0,0,0,0,0,1|1,0,2]=4 2597 B18R2.7189 O=C(CSCc1ccccn1)c2ccccc2 62a_100000211460_100000721315 [0,0,0,0,0,1|1,0,2]=4 2598 B18R2.7189 O=C(CSCc1ccccn1)c2ccccc2 62a_100000721315_100000211460 [0,0,0,0,0,1|1,0,2]=4 2599 B18R2.7189 O=C(NCCc1ccccn1)c2ccccc2 11a_100000211156_100000185807 [0,0,0,0,0,1|1,0,2]=4 2600 B18R2.7189 O=C(NCCc1ccccn1)c2ccccc2 1626a_100000211156_100000185807 [0,0,0,0,0,1|1,0,2]=4 2601 B18R2.7189 O=C(NCCc1ccccn1)c2ccccc2 240690a_100000211156_100000185807 [0,0,0,0,0,1|1,0,2]=4 2602 B18R2.7189 O=C(NCCc1ccccn1)c2ccccc2 527a_100000211156_100000185807 [0,0,0,0,0,1|1,0,2]=4 2603 B18R2.7189 O=C(NNCc1ccccn1)c2ccccc2 22a_100000736832_100000185807 [0,0,0,0,0,1|1,0,2]=4 2604 B18R2.7189 O=C(OCSc1ccccn1)c2ccccc2 62a_100000073877_100011216584 [0,0,0,0,0,1|1,0,2]=4 2605 B18R2.7189 O=C(OCSc1ccccn1)c2ccccc2 62a_100011216584_100000073877 [0,0,0,0,0,1|1,0,2]=4 2606 B18R2.7189 O=S(CCSc1ccccn1)c2ccccc2 62a_100011216584_100000740319 [0,0,0,0,0,1|2,0,1]=4 2607 B18R2.7189 O=S(CSCc1ccccn1)c2ccccc2 62a_100000721315_100000031784 [0,0,0,0,0,1|2,0,1]=4 2608 B18R2.7189 OC(CCNc1cccnn1)c2ccccc2 27a_100000763605_100016991348 [0,0,0,0,0,1|1,0,0]=2 2609 B18R2.7189 OC(CCNc1ccncn1)c2ccccc2 27a_100000763605_100000703185 [0,0,0,0,0,1|1,0,0]=2 2610 B18R2.7189 OC(CCNc1cnccn1)c2ccccc2 27a_100000763605_100000211759 [0,0,0,0,0,1|1,0,0]=2 2611 B18R2.7189 OC(CCNc1ncccn1)c2ccccc2 27a_100000763605_100000211032 [0,0,0,0,0,1|1,0,0]=2 2612 B18R2.7189 OC(CNCc1ccccc1)c2ccccc2 207a_100000210709_100015611070 [0,0,0,0,0,1|1,0,0]=2 2613 B18R2.7189 OC(CNCc1ccccc1)c2ccccc2 2230a_100000210709_100015291786 [0,0,0,0,0,1|1,0,0]=2 2614 B18R2.7189 OC(CNCc1ccccc1)c2ccccc2 2230a_100015324214_100000185958 [0,0,0,0,0,1|1,0,0]=2 2615 B18R2.7189 OC(CNCc1ccccc1)c2ccccc2 270004a_100000210709_100015611070 [0,0,0,0,0,1|1,0,0]=2 2616 B18R2.7189 OC(CNCc1ccccc1)c2ccccc2 34a_100015324214_100000185958 [0,0,0,0,0,1|1,0,0]=2 2617 B18R2.7189 OC(CNCc1ccccc1)c2ccccn2 207a_100000691469_100015611070 [0,0,0,0,0,1|2,0,0]=3 2618 B18R2.7189 OC(CNCc1ccccc1)c2ccccn2 2230a_100000691469_100015291786 [0,0,0,0,0,1|2,0,0]=3 2619 B18R2.7189 OC(CNCc1ccccc1)c2ccccn2 270004a_100000691469_100015611070 [0,0,0,0,0,1|2,0,0]=3 2620 B18R2.7189 OC(CNCc1ccccc1)c2cccnc2 207a_100020605170_100015611070 [0,0,0,0,0,1|2,0,0]=3 2621 B18R2.7189 OC(CNCc1ccccc1)c2cccnc2 2230a_100020605170_100015291786 [0,0,0,0,0,1|2,0,0]=3 2622 B18R2.7189 OC(CNCc1ccccc1)c2cccnc2 270004a_100020605170_100015611070 [0,0,0,0,0,1|2,0,0]=3 2623 B18R2.7189 OC(CNCc1ccccn1)c2ccccc2 207a_100000210709_100000209966 [0,0,0,0,0,1|0,0,0]=1 2624 B18R2.7189 OC(CNCc1ccccn1)c2ccccc2 2230a_100000210709_100000721315 [0,0,0,0,0,1|0,0,0]=1 2625 B18R2.7189 OC(CNCc1ccccn1)c2ccccc2 270004a_100000210709_100000209966 [0,0,0,0,0,1|0,0,0]=1 2626 B18R2.7189 OC(CNCc1ccccn1)c2ccccn2 207a_100000691469_100000209966 [0,0,0,0,0,1|1,0,0]=2 2627 B18R2.7189 OC(CNCc1ccccn1)c2ccccn2 2230a_100000691469_100000721315 [0,0,0,0,0,1|1,0,0]=2 2628 B18R2.7189 OC(CNCc1ccccn1)c2ccccn2 270004a_100000691469_100000209966 [0,0,0,0,0,1|1,0,0]=2 2629 B18R2.7189 OC(CNCc1ccccn1)c2cccnc2 207a_100020605170_100000209966 [0,0,0,0,0,1|1,0,0]=2 2630 B18R2.7189 OC(CNCc1ccccn1)c2cccnc2 2230a_100020605170_100000721315 [0,0,0,0,0,1|1,0,0]=2 2631 B18R2.7189 OC(CNCc1ccccn1)c2cccnc2 270004a_100020605170_100000209966 [0,0,0,0,0,1|1,0,0]=2 2632 B18R2.7189 OC(CNCc1cccnc1)c2ccccc2 207a_100000210709_100000209961 [0,0,0,0,0,1|2,0,0]=3 2633 B18R2.7189 OC(CNCc1cccnc1)c2ccccc2 2230a_100000210709_100000741622 [0,0,0,0,0,1|2,0,0]=3 2634 B18R2.7189 OC(CNCc1cccnc1)c2ccccc2 270004a_100000210709_100000209961 [0,0,0,0,0,1|2,0,0]=3 2635 B18R2.7189 OC(CNCc1cccnc1)c2ccccn2 207a_100000691469_100000209961 [0,0,0,0,0,1|3,0,0]=4 2636 B18R2.7189 OC(CNCc1cccnc1)c2ccccn2 2230a_100000691469_100000741622 [0,0,0,0,0,1|3,0,0]=4 2637 B18R2.7189 OC(CNCc1cccnc1)c2ccccn2 270004a_100000691469_100000209961 [0,0,0,0,0,1|3,0,0]=4 2638 B18R2.7189 OC(CNCc1cccnc1)c2cccnc2 207a_100020605170_100000209961 [0,0,0,0,0,1|3,0,0]=4 2639 B18R2.7189 OC(CNCc1cccnc1)c2cccnc2 2230a_100020605170_100000741622 [0,0,0,0,0,1|3,0,0]=4 2640 B18R2.7189 OC(CNCc1cccnc1)c2cccnc2 270004a_100020605170_100000209961 [0,0,0,0,0,1|3,0,0]=4 2641 B18R2.7189 OC(CNCc1cccnn1)c2ccccc2 2230a_100000210709_100016990269 [0,0,0,0,0,1|1,0,0]=2 2642 B18R2.7189 OC(CNCc1cccnn1)c2ccccc2 2230a_100159270163_100000185958 [0,0,0,0,0,1|1,0,0]=2 2643 B18R2.7189 OC(CNCc1cccnn1)c2ccccn2 2230a_100000691469_100016990269 [0,0,0,0,0,1|2,0,0]=3 2644 B18R2.7189 OC(CNCc1cccnn1)c2cccnc2 2230a_100020605170_100016990269 [0,0,0,0,0,1|2,0,0]=3 2645 B18R2.7189 OC(CNCc1ccncc1)c2ccccc2 207a_100000210709_100000186114 [0,0,0,0,0,1|2,0,0]=3 2646 B18R2.7189 OC(CNCc1ccncc1)c2ccccc2 2230a_100000210709_100015193705 [0,0,0,0,0,1|2,0,0]=3 2647 B18R2.7189 OC(CNCc1ccncc1)c2ccccn2 207a_100000691469_100000186114 [0,0,0,0,0,1|3,0,0]=4 2648 B18R2.7189 OC(CNCc1ccncc1)c2ccccn2 2230a_100000691469_100015193705 [0,0,0,0,0,1|3,0,0]=4 2649 B18R2.7189 OC(CNCc1ccncc1)c2cccnc2 207a_100020605170_100000186114 [0,0,0,0,0,1|3,0,0]=4 2650 B18R2.7189 OC(CNCc1ccncc1)c2cccnc2 2230a_100020605170_100015193705 [0,0,0,0,0,1|3,0,0]=4 2651 B18R2.7189 OC(CNCc1ccnnc1)c2ccccc2 270004a_100000210709_100011934578 [0,0,0,0,0,1|3,0,0]=4 2652 B18R2.7189 OC(CNCc1cnccn1)c2ccccc2 2230a_100000210709_100016995436 [0,0,0,0,0,1|1,0,0]=2 2653 B18R2.7189 OC(CNCc1cnccn1)c2ccccc2 270004a_100000210709_100000749867 [0,0,0,0,0,1|1,0,0]=2 2654 B18R2.7189 OC(CNCc1cnccn1)c2ccccn2 2230a_100000691469_100016995436 [0,0,0,0,0,1|2,0,0]=3 2655 B18R2.7189 OC(CNCc1cnccn1)c2ccccn2 270004a_100000691469_100000749867 [0,0,0,0,0,1|2,0,0]=3 2656 B18R2.7189 OC(CNCc1cnccn1)c2cccnc2 2230a_100020605170_100016995436 [0,0,0,0,0,1|2,0,0]=3 2657 B18R2.7189 OC(CNCc1cnccn1)c2cccnc2 270004a_100020605170_100000749867 [0,0,0,0,0,1|2,0,0]=3 2658 B18R2.7189 OC(CNCc1cncnc1)c2ccccc2 2230a_100000210709_100015196519 [0,0,0,0,0,1|3,0,0]=4 2659 B18R2.7189 OC(CNCc1cncnc1)c2ccccc2 2230a_100011243677_100000185958 [0,0,0,0,0,1|3,0,0]=4 2660 B18R2.7189 OC(CNCc1cncnc1)c2ccccc2 270004a_100000210709_100000749868 [0,0,0,0,0,1|3,0,0]=4 2661 B18R2.7189 OC(CNCc1ncccn1)c2ccccc2 2230a_100000210709_100000703007 [0,0,0,0,0,1|1,0,0]=2 2662 B18R2.7189 OC(CNCc1ncccn1)c2ccccc2 270004a_100000210709_100011532527 [0,0,0,0,0,1|1,0,0]=2 2663 B18R2.7189 OC(CNCc1ncccn1)c2ccccn2 2230a_100000691469_100000703007 [0,0,0,0,0,1|2,0,0]=3 2664 B18R2.7189 OC(CNCc1ncccn1)c2ccccn2 270004a_100000691469_100011532527 [0,0,0,0,0,1|2,0,0]=3 2665 B18R2.7189 OC(CNCc1ncccn1)c2cccnc2 2230a_100020605170_100000703007 [0,0,0,0,0,1|2,0,0]=3 2666 B18R2.7189 OC(CNCc1ncccn1)c2cccnc2 270004a_100020605170_100011532527 [0,0,0,0,0,1|2,0,0]=3 2667 B18R2.7189 OC(COCc1ccccc1)c2ccccc2 34a_100000210790_100000185958 [0,0,0,0,0,1|2,0,0]=3 2668 B18R2.7189 OC(COCc1ccccc1)c2ccccc2 7a_100000210790_100000185958 [0,0,0,0,0,1|2,0,0]=3 2669 B18R2.7189 OC(CSCc1ccccc1)c2ccccc2 62a_100000185958_100015291786 [0,0,0,0,0,1|2,0,0]=3 2670 B18R2.7189 OC(CSCc1ccccc1)c2ccccc2 62a_100000211182_100000185958 [0,0,0,0,0,1|2,0,0]=3 2671 B18R2.7189 OC(CSCc1ccccn1)c2ccccc2 62a_100000185958_100000721315 [0,0,0,0,0,1|1,0,0]=2 2672 B18R2.7189 OC(CSCc1ccccn1)c2ccccc2 62a_100000721315_100000185958 [0,0,0,0,0,1|1,0,0]=2 2673 B18R2.7189 OC(CSCc1cccnc1)c2ccccc2 62a_100000185958_100000741622 [0,0,0,0,0,1|3,0,0]=4 2674 B18R2.7189 OC(CSCc1cccnc1)c2ccccc2 62a_100000741622_100000185958 [0,0,0,0,0,1|3,0,0]=4 2675 B18R2.7189 OC(CSCc1cccnn1)c2ccccc2 62a_100000185958_100016990269 [0,0,0,0,0,1|2,0,0]=3 2676 B18R2.7189 OC(CSCc1cccnn1)c2ccccc2 62a_100016990269_100000185958 [0,0,0,0,0,1|2,0,0]=3 2677 B18R2.7189 OC(CSCc1ccncc1)c2ccccc2 62a_100000185958_100015193705 [0,0,0,0,0,1|3,0,0]=4 2678 B18R2.7189 OC(CSCc1ccncc1)c2ccccc2 62a_100015193705_100000185958 [0,0,0,0,0,1|3,0,0]=4 2679 B18R2.7189 OC(CSCc1cnccn1)c2ccccc2 62a_100000185958_100016995436 [0,0,0,0,0,1|2,0,0]=3 2680 B18R2.7189 OC(CSCc1cnccn1)c2ccccc2 62a_100016995436_100000185958 [0,0,0,0,0,1|2,0,0]=3 2681 B18R2.7189 OC(CSCc1ncccn1)c2ccccc2 62a_100000185958_100000703007 [0,0,0,0,0,1|2,0,0]=3 2682 B18R2.7189 OC(CSCc1ncccn1)c2ccccc2 62a_100000703007_100000185958 [0,0,0,0,0,1|2,0,0]=3 2683 B18R2.7189 O[C@H](CCNc1ccccc1)c2ccccc2 34a_100000106764_100000729684 [0,0,0,0,0,1|1,0,0]=2 2684 B18R2.7189 O[C@H](CCOc1ccccc1)c2ccccc2 34a_100000210340_100000729684 [0,0,0,0,0,1|2,0,0]=3 2685 B18R2.7189 O[C@H](CCOc1ccccc1)c2ccccc2 7a_100000210340_100000729684 [0,0,0,0,0,1|2,0,0]=3 2686 B18R2.7189 O[C@H](CCOc1cccnc1)c2ccccc2 34a_100000210849_100000729684 [0,0,0,0,0,1|3,0,0]=4 2687 B18R2.7189 O[C@H](CCOc1cccnc1)c2ccccc2 7a_100000210849_100000729684 [0,0,0,0,0,1|3,0,0]=4 2688 B18R2.7189 O[C@H](CCOc1ccncc1)c2ccccc2 34a_100000212176_100000729684 [0,0,0,0,0,1|3,0,0]=4 2689 B18R2.7189 O[C@H](CCSc1ccccc1)c2ccccc2 62a_100000719477_100000729684 [0,0,0,0,0,1|2,0,0]=3 2690 B18R2.7189 O[C@H](CCSc1ccccc1)c2ccccc2 62a_100000729684_100000041952 [0,0,0,0,0,1|2,0,0]=3 2691 B18R2.7189 O[C@H](CCSc1ccccn1)c2ccccc2 62a_100000729684_100011216584 [0,0,0,0,0,1|1,0,0]=2 2692 B18R2.7189 O[C@H](CCSc1ccccn1)c2ccccc2 62a_100011216584_100000729684 [0,0,0,0,0,1|1,0,0]=2 2693 B18R2.7189 O[C@H](CCSc1cccnc1)c2ccccc2 62a_100000210063_100000729684 [0,0,0,0,0,1|3,0,0]=4 2694 B18R2.7189 O[C@H](CCSc1cccnc1)c2ccccc2 62a_100000729684_100000210063 [0,0,0,0,0,1|3,0,0]=4 2695 B18R2.7189 O[C@H](CCSc1cccnn1)c2ccccc2 62a_100000729684_100016991348 [0,0,0,0,0,1|2,0,0]=3 2696 B18R2.7189 O[C@H](CCSc1cccnn1)c2ccccc2 62a_100016991348_100000729684 [0,0,0,0,0,1|2,0,0]=3 2697 B18R2.7189 O[C@H](CCSc1ccncc1)c2ccccc2 62a_100000728582_100000729684 [0,0,0,0,0,1|3,0,0]=4 2698 B18R2.7189 O[C@H](CCSc1ccncc1)c2ccccc2 62a_100000729684_100000728582 [0,0,0,0,0,1|3,0,0]=4 2699 B18R2.7189 O[C@H](CCSc1ccncn1)c2ccccc2 62a_100000703185_100000729684 [0,0,0,0,0,1|2,0,0]=3 2700 B18R2.7189 O[C@H](CCSc1ccncn1)c2ccccc2 62a_100000729684_100000703185 [0,0,0,0,0,1|2,0,0]=3 2701 B18R2.7189 O[C@H](CCSc1cnccn1)c2ccccc2 62a_100000211759_100000729684 [0,0,0,0,0,1|2,0,0]=3 2702 B18R2.7189 O[C@H](CCSc1cnccn1)c2ccccc2 62a_100000729684_100000211759 [0,0,0,0,0,1|2,0,0]=3 2703 B18R2.7189 O[C@H](CCSc1ncccn1)c2ccccc2 62a_100000211032_100000729684 [0,0,0,0,0,1|2,0,0]=3 2704 B18R2.7189 O[C@H](CCSc1ncccn1)c2ccccc2 62a_100000729684_100000211032 [0,0,0,0,0,1|2,0,0]=3 2705 B18R2.7189 O[C@H](CNCc1ccccc1)c2ccccc2 2230a_100015324214_100011933945 [0,0,0,0,0,1|1,0,0]=2 2706 B18R2.7189 O[C@H](CNCc1ccccc1)c2ccccc2 34a_100015324214_100011933945 [0,0,0,0,0,1|1,0,0]=2 2707 B18R2.7189 O[C@H](CNCc1cccnn1)c2ccccc2 2230a_100159270163_100011933945 [0,0,0,0,0,1|1,0,0]=2 2708 B18R2.7189 O[C@H](CNCc1cncnc1)c2ccccc2 2230a_100011243677_100011933945 [0,0,0,0,0,1|3,0,0]=4 2709 B18R2.7189 O[C@H](COCc1ccccc1)c2ccccc2 34a_100000210790_100011933945 [0,0,0,0,0,1|2,0,0]=3 2710 B18R2.7189 O[C@H](COCc1ccccc1)c2ccccc2 7a_100000210790_100011933945 [0,0,0,0,0,1|2,0,0]=3 2711 B18R2.7189 O[C@H](CSCc1ccccc1)c2ccccc2 62a_100000211182_100011933945 [0,0,0,0,0,1|2,0,0]=3 2712 B18R2.7189 O[C@H](CSCc1ccccc1)c2ccccc2 62a_100011933945_100015291786 [0,0,0,0,0,1|2,0,0]=3 2713 B18R2.7189 O[C@H](CSCc1ccccn1)c2ccccc2 62a_100000721315_100011933945 [0,0,0,0,0,1|1,0,0]=2 2714 B18R2.7189 O[C@H](CSCc1ccccn1)c2ccccc2 62a_100011933945_100000721315 [0,0,0,0,0,1|1,0,0]=2 2715 B18R2.7189 O[C@H](CSCc1cccnc1)c2ccccc2 62a_100000741622_100011933945 [0,0,0,0,0,1|3,0,0]=4 2716 B18R2.7189 O[C@H](CSCc1cccnc1)c2ccccc2 62a_100011933945_100000741622 [0,0,0,0,0,1|3,0,0]=4 2717 B18R2.7189 O[C@H](CSCc1cccnn1)c2ccccc2 62a_100011933945_100016990269 [0,0,0,0,0,1|2,0,0]=3 2718 B18R2.7189 O[C@H](CSCc1cccnn1)c2ccccc2 62a_100016990269_100011933945 [0,0,0,0,0,1|2,0,0]=3 2719 B18R2.7189 O[C@H](CSCc1ccncc1)c2ccccc2 62a_100011933945_100015193705 [0,0,0,0,0,1|3,0,0]=4 2720 B18R2.7189 O[C@H](CSCc1ccncc1)c2ccccc2 62a_100015193705_100011933945 [0,0,0,0,0,1|3,0,0]=4 2721 B18R2.7189 O[C@H](CSCc1cnccn1)c2ccccc2 62a_100011933945_100016995436 [0,0,0,0,0,1|2,0,0]=3 2722 B18R2.7189 O[C@H](CSCc1cnccn1)c2ccccc2 62a_100016995436_100011933945 [0,0,0,0,0,1|2,0,0]=3 2723 B18R2.7189 O[C@H](CSCc1ncccn1)c2ccccc2 62a_100000703007_100011933945 [0,0,0,0,0,1|2,0,0]=3 2724 B18R2.7189 O[C@H](CSCc1ncccn1)c2ccccc2 62a_100011933945_100000703007 [0,0,0,0,0,1|2,0,0]=3 2725 B15R1.89 C=CCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210193 [1,0,1,0,0,0|1,0,1]=4 2726 B15R1.89 C=CCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000210193 [1,0,1,0,0,0|1,0,1]=4 2727 B15R1.89 CC=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000210699 [1,0,1,0,0,0|1,0,1]=4 2728 B15R1.89 O=C(C=CBr)NCC(O)c1ccccc1 240690a_100000210709_100016273825 [1,0,1,0,0,0|2,0,0]=4 2729 B15R1.89 O=C(C=CCl)NCC(O)c1ccccc1 240690a_100000210709_200016279998 [1,0,1,0,0,0|2,0,0]=4 2730 B15R1.157 C=CC=CC(=O)CCCc1ccccc1 1458a_100016291481_100000211621 [1,0,1,0,0,0|2,0,0]=4 2731 B15R1.157 C=CC=CC(=O)NCCc1ccccc1 1626a_100000106460_100016291481 [1,0,1,0,0,0|1,0,0]=3 2732 B15R1.157 C=CC=CC(=O)NCCc1ccccn1 1626a_100000211156_100016291481 [1,0,1,0,0,0|2,0,0]=4 2733 B15R1.157 C=CC=CC(=O)NCCc1cccnc1 1626a_100000736294_100016291481 [1,0,1,0,0,0|2,0,0]=4 2734 B15R1.157 C=CC=CC(=O)NCCc1ccncc1 1626a_100000742849_100016291481 [1,0,1,0,0,0|2,0,0]=4 2735 B15R1.157 C=CC=CC(=O)NNCc1ccccc1 22a_100000007032_100016291481 [1,0,1,0,0,0|2,0,0]=4 2736 B15R1.652 C=CC(C=C)OCC(O)c1ccccc1 34a_100000033096_100000185958 [1,0,1,0,0,0|1,0,1]=4 2737 B15R1.652 C=CC(C=C)OC[C@@H](O)c1ccccc1 34a_100000033096_100011933945 [1,0,1,0,0,0|1,0,1]=4 2738 B17R1.1299 C/C=C/C=CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000185730_100000729684 [0,1,1,0,0,0|2,0,0]=4 2739 B17R1.1299 C/C=C/C=CC(=O)NCC(C)c1ccccc1 11a_100000701038_100000185730 [0,1,1,0,0,0|2,0,0]=4 2740 B17R1.1299 C/C=C/C=CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000185730 [0,1,1,0,0,0|2,0,0]=4 2741 B17R1.1299 C/C=C/C=CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000185730 [0,1,1,0,0,0|2,0,0]=4 2742 B17R1.1299 C/C=C/C=CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000185730 [0,1,1,0,0,0|1,0,0]=3 2743 B17R1.1299 C/C=C/C=CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100000185730 [0,1,1,0,0,0|2,0,0]=4 2744 B17R1.1299 C/C=C/C=CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100000185730 [0,1,1,0,0,0|2,0,0]=4 2745 B17R1.9307 C=CC=CC(=O)NCC(C)(C)c1ccccc1 1626a_100011211644_100016291481 [0,1,1,0,0,0|2,0,0]=4 2746 B17R1.9307 C=CC=CC(=O)NCC(F)(F)c1ccccc1 1626a_100000717977_100016291481 [0,1,1,0,0,0|2,0,0]=4 2747 B17R2.143 CC(Cc1ccccc1)Nc2ccccc2 34a_100000106764_200011218536 [1,1,0,0,0,0|1,0,0]=3 2748 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 34a_100000210340_200011218536 [1,1,0,0,0,0|2,0,0]=4 2749 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 7a_100000210340_200011218536 [1,1,0,0,0,0|2,0,0]=4 2750 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_100000719477_200011218536 [1,1,0,0,0,0|2,0,0]=4 2751 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_200011218536_100000041952 [1,1,0,0,0,0|2,0,0]=4 2752 B17R2.143 CC(Cc1ccccc1)Sc2ccccn2 62a_100011216584_200011218536 [1,1,0,0,0,0|1,0,0]=3 2753 B17R2.143 CC(Cc1ccccc1)Sc2ccccn2 62a_200011218536_100011216584 [1,1,0,0,0,0|1,0,0]=3 2754 B17R2.143 CC(Cc1ccccc1)Sc2cccnn2 62a_100016991348_200011218536 [1,1,0,0,0,0|2,0,0]=4 2755 B17R2.143 CC(Cc1ccccc1)Sc2cccnn2 62a_200011218536_100016991348 [1,1,0,0,0,0|2,0,0]=4 2756 B17R2.143 CC(Cc1ccccc1)Sc2ccncn2 62a_100000703185_200011218536 [1,1,0,0,0,0|2,0,0]=4 2757 B17R2.143 CC(Cc1ccccc1)Sc2ccncn2 62a_200011218536_100000703185 [1,1,0,0,0,0|2,0,0]=4 2758 B17R2.143 CC(Cc1ccccc1)Sc2cnccn2 62a_100000211759_200011218536 [1,1,0,0,0,0|2,0,0]=4 2759 B17R2.143 CC(Cc1ccccc1)Sc2cnccn2 62a_200011218536_100000211759 [1,1,0,0,0,0|2,0,0]=4 2760 B17R2.143 CC(Cc1ccccc1)Sc2ncccn2 62a_100000211032_200011218536 [1,1,0,0,0,0|2,0,0]=4 2761 B17R2.143 CC(Cc1ccccc1)Sc2ncccn2 62a_200011218536_100000211032 [1,1,0,0,0,0|2,0,0]=4 2762 B17R2.143 CC(Cc1ccccn1)Nc2cccnn2 27a_100000238496_100016991348 [1,1,0,0,0,0|2,0,0]=4 2763 B17R2.143 CC(Cc1ccccn1)Nc2ccncn2 27a_100000238496_100000703185 [1,1,0,0,0,0|2,0,0]=4 2764 B17R2.143 CC(Cc1ccccn1)Nc2cnccn2 27a_100000238496_100000211759 [1,1,0,0,0,0|2,0,0]=4 2765 B17R2.143 CC(Cc1ccccn1)Nc2ncccn2 27a_100000238496_100000211032 [1,1,0,0,0,0|2,0,0]=4 2766 B17R2.143 CC(Cc1cccnc1)Nc2cccnn2 27a_100011207255_100016991348 [1,1,0,0,0,0|2,0,0]=4 2767 B17R2.143 CC(Cc1cccnc1)Nc2ccncn2 27a_100011207255_100000703185 [1,1,0,0,0,0|2,0,0]=4 2768 B17R2.143 CC(Cc1cccnc1)Nc2cnccn2 27a_100011207255_100000211759 [1,1,0,0,0,0|2,0,0]=4 2769 B17R2.143 CC(Cc1cccnc1)Nc2ncccn2 27a_100011207255_100000211032 [1,1,0,0,0,0|2,0,0]=4 2770 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 2230a_100000186898_100000721315 [1,1,0,0,0,0|2,0,0]=4 2771 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 2230a_100000207498_100015291786 [1,1,0,0,0,0|2,0,0]=4 2772 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 269982a_100000186898_100000721315 [1,1,0,0,0,0|2,0,0]=4 2773 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 269982a_100000207498_100000211182 [1,1,0,0,0,0|2,0,0]=4 2774 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 270004a_100000186898_100000209966 [1,1,0,0,0,0|2,0,0]=4 2775 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 270004a_100000207498_100015611070 [1,1,0,0,0,0|2,0,0]=4 2776 B17R2.143 O=C(Cc1ccccc1)Cc2ccccn2 1458a_100000233486_100015291786 [1,1,0,0,0,0|1,0,1]=4 2777 B17R2.216 Brc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000186029 [1,1,0,0,0,0|1,0,1]=4 2778 B17R2.216 Brc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011740612 [1,1,0,0,0,0|1,0,0]=3 2779 B17R2.216 Brc1ccc(cc1)CCNc2cccnn2 27a_100000755846_100016991348 [1,1,0,0,0,0|1,0,0]=3 2780 B17R2.216 Brc1ccc(cc1)CCNc2ccncn2 27a_100000755846_100000703185 [1,1,0,0,0,0|1,0,0]=3 2781 B17R2.216 Brc1ccc(cc1)CCNc2cnccn2 27a_100000755846_100000211759 [1,1,0,0,0,0|1,0,0]=3 2782 B17R2.216 Brc1ccc(cc1)CCNc2ncccn2 27a_100000755846_100000211032 [1,1,0,0,0,0|1,0,0]=3 2783 B17R2.216 Brc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011740612 [1,1,0,0,0,0|2,0,0]=4 2784 B17R2.216 Brc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011740612 [1,1,0,0,0,0|2,0,0]=4 2785 B17R2.216 Brc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011740612 [1,1,0,0,0,0|2,0,0]=4 2786 B17R2.216 Brc1ccc(cc1)CCSc2ccccc2 62a_100011740612_100000041952 [1,1,0,0,0,0|2,0,0]=4 2787 B17R2.216 Brc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011740612 [1,1,0,0,0,0|1,0,0]=3 2788 B17R2.216 Brc1ccc(cc1)CCSc2ccccn2 62a_100011740612_100011216584 [1,1,0,0,0,0|1,0,0]=3 2789 B17R2.216 Brc1ccc(cc1)CCSc2cccnn2 62a_100011740612_100016991348 [1,1,0,0,0,0|2,0,0]=4 2790 B17R2.216 Brc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011740612 [1,1,0,0,0,0|2,0,0]=4 2791 B17R2.216 Brc1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011740612 [1,1,0,0,0,0|2,0,0]=4 2792 B17R2.216 Brc1ccc(cc1)CCSc2ccncn2 62a_100011740612_100000703185 [1,1,0,0,0,0|2,0,0]=4 2793 B17R2.216 Brc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011740612 [1,1,0,0,0,0|2,0,0]=4 2794 B17R2.216 Brc1ccc(cc1)CCSc2cnccn2 62a_100011740612_100000211759 [1,1,0,0,0,0|2,0,0]=4 2795 B17R2.216 Brc1ccc(cc1)CCSc2ncccn2 62a_100000211032_100011740612 [1,1,0,0,0,0|2,0,0]=4 2796 B17R2.216 Brc1ccc(cc1)CCSc2ncccn2 62a_100011740612_100000211032 [1,1,0,0,0,0|2,0,0]=4 2797 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 207a_100000174875_100000209966 [1,1,0,0,0,0|2,0,0]=4 2798 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 2230a_100000174875_100000721315 [1,1,0,0,0,0|2,0,0]=4 2799 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 270004a_100000174875_100000209966 [1,1,0,0,0,0|2,0,0]=4 2800 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000186029 [1,1,0,0,0,0|2,0,0]=4 2801 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 34a_100000174875_100000721315 [1,1,0,0,0,0|2,0,0]=4 2802 B17R2.216 Brc1ccc(cc1)COCc2ccccn2 34a_100000695286_100000721315 [1,1,0,0,0,0|2,0,0]=4 2803 B17R2.216 Brc1ccc(cc1)CSCc2ccccn2 62a_100000189115_100000721315 [1,1,0,0,0,0|2,0,0]=4 2804 B17R2.216 Brc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000189115 [1,1,0,0,0,0|2,0,0]=4 2805 B17R2.216 Brc1ccc(cc1)NCCc2ccccc2 2230a_100000210018_100000765856 [1,1,0,0,0,0|1,0,0]=3 2806 B17R2.216 Brc1ccc(cc1)NCCc2ccccc2 34a_100000210018_100000765856 [1,1,0,0,0,0|1,0,0]=3 2807 B17R2.216 Brc1ccc(cc1)NCCc2ccccn2 2230a_100000210018_100015183660 [1,1,0,0,0,0|2,0,0]=4 2808 B17R2.216 Brc1ccc(cc1)NCCc2cccnc2 2230a_100000210018_200011713674 [1,1,0,0,0,0|2,0,0]=4 2809 B17R2.216 Brc1ccc(cc1)NCCc2ccncc2 2230a_100000210018_100000723409 [1,1,0,0,0,0|2,0,0]=4 2810 B17R2.216 Brc1ccc(cc1)NCSc2ccccc2 2230a_100000210018_100011218342 [1,1,0,0,0,0|2,0,0]=4 2811 B17R2.216 Brc1ccc(cc1)OCCc2ccccc2 34a_100000185759_100000765856 [1,1,0,0,0,0|2,0,0]=4 2812 B17R2.216 Brc1ccc(cc1)OCCc2ccccc2 7a_100000185759_100000765856 [1,1,0,0,0,0|2,0,0]=4 2813 B17R2.216 Brc1ccc(cc1)OCCc2ccccn2 7a_100000185759_100015183660 [1,1,0,0,0,0|2,0,0]=4 2814 B17R2.216 Brc1ccc(cc1)SCCc2ccccc2 62a_100000752885_100011218657 [1,1,0,0,0,0|2,0,0]=4 2815 B17R2.216 Brc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000752885 [1,1,0,0,0,0|2,0,0]=4 2816 B17R2.216 Brc1ccc(cc1)SCCc2ccccn2 62a_100000752885_100015183660 [1,1,0,0,0,0|2,0,0]=4 2817 B17R2.216 Brc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000752885 [1,1,0,0,0,0|2,0,0]=4 2818 B17R2.216 Brc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000686858 [1,1,0,0,0,0|1,0,1]=4 2819 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100000754260 [1,1,0,0,0,0|2,0,0]=4 2820 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100000702658 [1,1,0,0,0,0|2,0,0]=4 2821 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100000754260 [1,1,0,0,0,0|2,0,0]=4 2822 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 34a_100015188789_100015291786 [1,1,0,0,0,0|2,0,0]=4 2823 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100000702658 [1,1,0,0,0,0|2,0,0]=4 2824 B17R2.216 Brc1ccc(nc1)COCc2ccccc2 34a_100000210790_100000702658 [1,1,0,0,0,0|2,0,0]=4 2825 B17R2.216 Brc1ccc(nc1)COCc2ccccc2 34a_100000754261_100015291786 [1,1,0,0,0,0|2,0,0]=4 2826 B17R2.216 Brc1ccc(nc1)COCc2ccccc2 7a_100000210790_100000702658 [1,1,0,0,0,0|2,0,0]=4 2827 B17R2.216 Brc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000702658 [1,1,0,0,0,0|2,0,0]=4 2828 B17R2.216 Brc1ccc(nc1)CSCc2ccccc2 62a_100000702658_100015291786 [1,1,0,0,0,0|2,0,0]=4 2829 B17R2.216 Brc1ccc(nc1)NCCc2ccccc2 27a_100000106460_100000686858 [1,1,0,0,0,0|0,0,0]=2 2830 B17R2.216 Brc1ccc(nc1)NCCc2ccccn2 27a_100000211156_100000686858 [1,1,0,0,0,0|1,0,0]=3 2831 B17R2.216 Brc1ccc(nc1)NCCc2cccnc2 27a_100000736294_100000686858 [1,1,0,0,0,0|1,0,0]=3 2832 B17R2.216 Brc1ccc(nc1)NCCc2ccncc2 27a_100000742849_100000686858 [1,1,0,0,0,0|1,0,0]=3 2833 B17R2.216 Brc1ccc(nc1)NCCc2cnccn2 27a_100000723456_100000686858 [1,1,0,0,0,0|2,0,0]=4 2834 B17R2.216 Brc1ccc(nc1)NN=Cc2ccccc2 4a_100000750576_100015611070 [1,1,0,0,0,0|1,0,1]=4 2835 B17R2.216 Brc1ccc(nc1)SCCc2ccccc2 62a_100000686858_100011218657 [1,1,0,0,0,0|1,0,0]=3 2836 B17R2.216 Brc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000686858 [1,1,0,0,0,0|1,0,0]=3 2837 B17R2.216 Brc1ccc(nc1)SCCc2ccccn2 62a_100000686858_100015183660 [1,1,0,0,0,0|2,0,0]=4 2838 B17R2.216 Brc1ccc(nc1)SCCc2ccccn2 62a_100015183660_100000686858 [1,1,0,0,0,0|2,0,0]=4 2839 B17R2.216 Brc1ccc(nc1)SCCc2cccnc2 62a_100000686858_200011713674 [1,1,0,0,0,0|2,0,0]=4 2840 B17R2.216 Brc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000686858 [1,1,0,0,0,0|2,0,0]=4 2841 B17R2.216 Brc1ccc(nc1)SCCc2ccncc2 62a_100000686858_100000723409 [1,1,0,0,0,0|2,0,0]=4 2842 B17R2.216 Brc1ccc(nc1)SCCc2ccncc2 62a_100000723409_100000686858 [1,1,0,0,0,0|2,0,0]=4 2843 B17R2.216 Brc1ccc(nc1)SCSc2ccccc2 62a_100000686858_100011218342 [1,1,0,0,0,0|2,0,0]=4 2844 B17R2.216 Brc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000686858 [1,1,0,0,0,0|2,0,0]=4 2845 B17R2.216 Brc1cnc(cn1)NCCc2ccccc2 27a_100000106460_100010187541 [1,1,0,0,0,0|1,0,0]=3 2846 B17R2.216 Brc1cnc(cn1)NCCc2ccccn2 27a_100000211156_100010187541 [1,1,0,0,0,0|2,0,0]=4 2847 B17R2.216 Brc1cnc(cn1)NCCc2cccnc2 27a_100000736294_100010187541 [1,1,0,0,0,0|2,0,0]=4 2848 B17R2.216 Brc1cnc(cn1)NCCc2ccncc2 27a_100000742849_100010187541 [1,1,0,0,0,0|2,0,0]=4 2849 B17R2.216 Brc1cnc(cn1)OCCc2ccccc2 34a_100011934580_100000765856 [1,1,0,0,0,0|2,0,0]=4 2850 B17R2.216 Brc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100010187541 [1,1,0,0,0,0|2,0,0]=4 2851 B17R2.216 Brc1cnc(cn1)SCCc2ccccc2 62a_100010187541_100011218657 [1,1,0,0,0,0|2,0,0]=4 2852 B17R2.216 Brc1cnc(nc1)NCCc2ccccc2 27a_100000106460_100000690281 [1,1,0,0,0,0|1,0,0]=3 2853 B17R2.216 Brc1cnc(nc1)NCCc2ccccn2 27a_100000211156_100000690281 [1,1,0,0,0,0|2,0,0]=4 2854 B17R2.216 Brc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000690281 [1,1,0,0,0,0|2,0,0]=4 2855 B17R2.216 Brc1cnc(nc1)NCCc2ccncc2 27a_100000742849_100000690281 [1,1,0,0,0,0|2,0,0]=4 2856 B17R2.216 Brc1cnc(nc1)SCCc2ccccc2 62a_100000690281_100011218657 [1,1,0,0,0,0|2,0,0]=4 2857 B17R2.216 Brc1cnc(nc1)SCCc2ccccc2 62a_100000765856_100000690281 [1,1,0,0,0,0|2,0,0]=4 2858 B17R2.216 Cc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000211033 [1,1,0,0,0,0|1,0,1]=4 2859 B17R2.216 Cc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011713686 [1,1,0,0,0,0|1,0,0]=3 2860 B17R2.216 Cc1ccc(cc1)CCNc2cccnn2 27a_100000705350_100016991348 [1,1,0,0,0,0|1,0,0]=3 2861 B17R2.216 Cc1ccc(cc1)CCNc2ccncn2 27a_100000705350_100000703185 [1,1,0,0,0,0|1,0,0]=3 2862 B17R2.216 Cc1ccc(cc1)CCNc2cnccn2 27a_100000705350_100000211759 [1,1,0,0,0,0|1,0,0]=3 2863 B17R2.216 Cc1ccc(cc1)CCNc2ncccn2 27a_100000705350_100000211032 [1,1,0,0,0,0|1,0,0]=3 2864 B17R2.216 Cc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011713686 [1,1,0,0,0,0|2,0,0]=4 2865 B17R2.216 Cc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011713686 [1,1,0,0,0,0|2,0,0]=4 2866 B17R2.216 Cc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011713686 [1,1,0,0,0,0|2,0,0]=4 2867 B17R2.216 Cc1ccc(cc1)CCSc2ccccc2 62a_100011713686_100000041952 [1,1,0,0,0,0|2,0,0]=4 2868 B17R2.216 Cc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011713686 [1,1,0,0,0,0|1,0,0]=3 2869 B17R2.216 Cc1ccc(cc1)CCSc2ccccn2 62a_100011713686_100011216584 [1,1,0,0,0,0|1,0,0]=3 2870 B17R2.216 Cc1ccc(cc1)CCSc2cccnn2 62a_100011713686_100016991348 [1,1,0,0,0,0|2,0,0]=4 2871 B17R2.216 Cc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011713686 [1,1,0,0,0,0|2,0,0]=4 2872 B17R2.216 Cc1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011713686 [1,1,0,0,0,0|2,0,0]=4 2873 B17R2.216 Cc1ccc(cc1)CCSc2ccncn2 62a_100011713686_100000703185 [1,1,0,0,0,0|2,0,0]=4 2874 B17R2.216 Cc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011713686 [1,1,0,0,0,0|2,0,0]=4 2875 B17R2.216 Cc1ccc(cc1)CCSc2cnccn2 62a_100011713686_100000211759 [1,1,0,0,0,0|2,0,0]=4 2876 B17R2.216 Cc1ccc(cc1)CCSc2ncccn2 62a_100000211032_100011713686 [1,1,0,0,0,0|2,0,0]=4 2877 B17R2.216 Cc1ccc(cc1)CCSc2ncccn2 62a_100011713686_100000211032 [1,1,0,0,0,0|2,0,0]=4 2878 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 207a_100000174908_100000209966 [1,1,0,0,0,0|2,0,0]=4 2879 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 2230a_100000174908_100000721315 [1,1,0,0,0,0|2,0,0]=4 2880 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 270004a_100000174908_100000209966 [1,1,0,0,0,0|2,0,0]=4 2881 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000211033 [1,1,0,0,0,0|2,0,0]=4 2882 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 34a_100000174908_100000721315 [1,1,0,0,0,0|2,0,0]=4 2883 B17R2.216 Cc1ccc(cc1)COCc2ccccn2 34a_100011215236_100000721315 [1,1,0,0,0,0|2,0,0]=4 2884 B17R2.216 Cc1ccc(cc1)COCc2ccccn2 7a_100011215236_100000721315 [1,1,0,0,0,0|2,0,0]=4 2885 B17R2.216 Cc1ccc(cc1)CSCc2ccccn2 62a_100000210814_100000721315 [1,1,0,0,0,0|2,0,0]=4 2886 B17R2.216 Cc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000210814 [1,1,0,0,0,0|2,0,0]=4 2887 B17R2.216 Cc1ccc(cc1)NCCc2ccccc2 34a_100000124888_100000765856 [1,1,0,0,0,0|1,0,0]=3 2888 B17R2.216 Cc1ccc(cc1)OCCc2ccccc2 34a_100000210336_100000765856 [1,1,0,0,0,0|2,0,0]=4 2889 B17R2.216 Cc1ccc(cc1)OCCc2ccccc2 7a_100000210336_100000765856 [1,1,0,0,0,0|2,0,0]=4 2890 B17R2.216 Cc1ccc(cc1)OCCc2ccccn2 7a_100000210336_100015183660 [1,1,0,0,0,0|2,0,0]=4 2891 B17R2.216 Cc1ccc(cc1)SCCc2ccccc2 62a_100000186775_100011218657 [1,1,0,0,0,0|2,0,0]=4 2892 B17R2.216 Cc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000186775 [1,1,0,0,0,0|2,0,0]=4 2893 B17R2.216 Cc1ccc(cc1)SCCc2ccccn2 62a_100000186775_100015183660 [1,1,0,0,0,0|2,0,0]=4 2894 B17R2.216 Cc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000186775 [1,1,0,0,0,0|2,0,0]=4 2895 B17R2.216 Cc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000754016 [1,1,0,0,0,0|1,0,1]=4 2896 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100000050478 [1,1,0,0,0,0|2,0,0]=4 2897 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100000691093 [1,1,0,0,0,0|2,0,0]=4 2898 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100000050478 [1,1,0,0,0,0|2,0,0]=4 2899 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 34a_100015187455_100015291786 [1,1,0,0,0,0|2,0,0]=4 2900 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100000691093 [1,1,0,0,0,0|2,0,0]=4 2901 B17R2.216 Cc1ccc(nc1)COCc2ccccc2 34a_100000210790_100000691093 [1,1,0,0,0,0|2,0,0]=4 2902 B17R2.216 Cc1ccc(nc1)COCc2ccccc2 34a_100012001401_100015291786 [1,1,0,0,0,0|2,0,0]=4 2903 B17R2.216 Cc1ccc(nc1)COCc2ccccc2 7a_100000210790_100000691093 [1,1,0,0,0,0|2,0,0]=4 2904 B17R2.216 Cc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000691093 [1,1,0,0,0,0|2,0,0]=4 2905 B17R2.216 Cc1ccc(nc1)CSCc2ccccc2 62a_100000691093_100015291786 [1,1,0,0,0,0|2,0,0]=4 2906 B17R2.216 Cc1ccc(nc1)NN=Cc2ccccc2 4a_100000746693_100015611070 [1,1,0,0,0,0|1,0,1]=4 2907 B17R2.216 Cc1ccc(nc1)OCCc2ccccc2 34a_100000759353_100000765856 [1,1,0,0,0,0|1,0,0]=3 2908 B17R2.216 Cc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000754016 [1,1,0,0,0,0|1,0,0]=3 2909 B17R2.216 Cc1ccc(nc1)SCCc2ccccc2 62a_100011192072_100011218657 [1,1,0,0,0,0|1,0,0]=3 2910 B17R2.216 Cc1ccc(nc1)SCCc2ccccn2 62a_100011192072_100015183660 [1,1,0,0,0,0|2,0,0]=4 2911 B17R2.216 Cc1ccc(nc1)SCCc2ccccn2 62a_100015183660_100000754016 [1,1,0,0,0,0|2,0,0]=4 2912 B17R2.216 Cc1ccc(nc1)SCCc2cccnc2 62a_100011192072_200011713674 [1,1,0,0,0,0|2,0,0]=4 2913 B17R2.216 Cc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000754016 [1,1,0,0,0,0|2,0,0]=4 2914 B17R2.216 Cc1ccc(nc1)SCCc2ccncc2 62a_100000723409_100000754016 [1,1,0,0,0,0|2,0,0]=4 2915 B17R2.216 Cc1ccc(nc1)SCCc2ccncc2 62a_100011192072_100000723409 [1,1,0,0,0,0|2,0,0]=4 2916 B17R2.216 Cc1ccc(nc1)SCSc2ccccc2 62a_100011192072_100011218342 [1,1,0,0,0,0|2,0,0]=4 2917 B17R2.216 Cc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000754016 [1,1,0,0,0,0|2,0,0]=4 2918 B17R2.216 Cc1ccc(nn1)NCCc2ccccc2 27a_100000106460_100000744512 [1,1,0,0,0,0|1,0,0]=3 2919 B17R2.216 Cc1ccc(nn1)NCCc2ccccn2 27a_100000211156_100000744512 [1,1,0,0,0,0|2,0,0]=4 2920 B17R2.216 Cc1ccc(nn1)NCCc2cccnc2 27a_100000736294_100000744512 [1,1,0,0,0,0|2,0,0]=4 2921 B17R2.216 Cc1ccc(nn1)NCCc2ccncc2 27a_100000742849_100000744512 [1,1,0,0,0,0|2,0,0]=4 2922 B17R2.216 Cc1ccc(nn1)SCCc2ccccc2 62a_100000744512_100011218657 [1,1,0,0,0,0|2,0,0]=4 2923 B17R2.216 Cc1ccc(nn1)SCCc2ccccc2 62a_100000765856_100000744512 [1,1,0,0,0,0|2,0,0]=4 2924 B17R2.216 Cc1cnc(cn1)NCCc2ccccc2 27a_100000106460_100000074397 [1,1,0,0,0,0|1,0,0]=3 2925 B17R2.216 Cc1cnc(cn1)NCCc2ccccn2 27a_100000211156_100000074397 [1,1,0,0,0,0|2,0,0]=4 2926 B17R2.216 Cc1cnc(cn1)NCCc2cccnc2 27a_100000736294_100000074397 [1,1,0,0,0,0|2,0,0]=4 2927 B17R2.216 Cc1cnc(cn1)NCCc2ccncc2 27a_100000742849_100000074397 [1,1,0,0,0,0|2,0,0]=4 2928 B17R2.216 Cc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100011999403 [1,1,0,0,0,0|2,0,0]=4 2929 B17R2.216 Cc1cnc(cn1)SCCc2ccccc2 62a_100011999403_100011218657 [1,1,0,0,0,0|2,0,0]=4 2930 B17R2.216 Cc1cnc(nc1)NCCc2ccccc2 27a_100000106460_100000061069 [1,1,0,0,0,0|1,0,0]=3 2931 B17R2.216 Cc1cnc(nc1)NCCc2ccccn2 27a_100000211156_100000061069 [1,1,0,0,0,0|2,0,0]=4 2932 B17R2.216 Cc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000061069 [1,1,0,0,0,0|2,0,0]=4 2933 B17R2.216 Cc1cnc(nc1)NCCc2ccncc2 27a_100000742849_100000061069 [1,1,0,0,0,0|2,0,0]=4 2934 B17R2.216 Cc1cnc(nc1)SCCc2ccccc2 62a_100000061069_100011218657 [1,1,0,0,0,0|2,0,0]=4 2935 B17R2.216 Cc1cnc(nc1)SCCc2ccccc2 62a_100000765856_100000061069 [1,1,0,0,0,0|2,0,0]=4 2936 B17R2.216 Clc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000189385 [1,1,0,0,0,0|1,0,1]=4 2937 B17R2.216 Clc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011713675 [1,1,0,0,0,0|1,0,0]=3 2938 B17R2.216 Clc1ccc(cc1)CCNc2cccnn2 27a_100000185265_100016991348 [1,1,0,0,0,0|1,0,0]=3 2939 B17R2.216 Clc1ccc(cc1)CCNc2ccncn2 27a_100000185265_100000703185 [1,1,0,0,0,0|1,0,0]=3 2940 B17R2.216 Clc1ccc(cc1)CCNc2cnccn2 27a_100000185265_100000211759 [1,1,0,0,0,0|1,0,0]=3 2941 B17R2.216 Clc1ccc(cc1)CCNc2ncccn2 27a_100000185265_100000211032 [1,1,0,0,0,0|1,0,0]=3 2942 B17R2.216 Clc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011713675 [1,1,0,0,0,0|2,0,0]=4 2943 B17R2.216 Clc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011713675 [1,1,0,0,0,0|2,0,0]=4 2944 B17R2.216 Clc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011713675 [1,1,0,0,0,0|2,0,0]=4 2945 B17R2.216 Clc1ccc(cc1)CCSc2ccccc2 62a_100011713675_100000041952 [1,1,0,0,0,0|2,0,0]=4 2946 B17R2.216 Clc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011713675 [1,1,0,0,0,0|1,0,0]=3 2947 B17R2.216 Clc1ccc(cc1)CCSc2ccccn2 62a_100011713675_100011216584 [1,1,0,0,0,0|1,0,0]=3 2948 B17R2.216 Clc1ccc(cc1)CCSc2cccnn2 62a_100011713675_100016991348 [1,1,0,0,0,0|2,0,0]=4 2949 B17R2.216 Clc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011713675 [1,1,0,0,0,0|2,0,0]=4 2950 B17R2.216 Clc1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011713675 [1,1,0,0,0,0|2,0,0]=4 2951 B17R2.216 Clc1ccc(cc1)CCSc2ccncn2 62a_100011713675_100000703185 [1,1,0,0,0,0|2,0,0]=4 2952 B17R2.216 Clc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011713675 [1,1,0,0,0,0|2,0,0]=4 2953 B17R2.216 Clc1ccc(cc1)CCSc2cnccn2 62a_100011713675_100000211759 [1,1,0,0,0,0|2,0,0]=4 2954 B17R2.216 Clc1ccc(cc1)CCSc2ncccn2 62a_100000211032_100011713675 [1,1,0,0,0,0|2,0,0]=4 2955 B17R2.216 Clc1ccc(cc1)CCSc2ncccn2 62a_100011713675_100000211032 [1,1,0,0,0,0|2,0,0]=4 2956 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 207a_100000174871_100000209966 [1,1,0,0,0,0|2,0,0]=4 2957 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 2230a_100000174871_100000721315 [1,1,0,0,0,0|2,0,0]=4 2958 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 270004a_100000174871_100000209966 [1,1,0,0,0,0|2,0,0]=4 2959 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000189385 [1,1,0,0,0,0|2,0,0]=4 2960 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 34a_100000174871_100000721315 [1,1,0,0,0,0|2,0,0]=4 2961 B17R2.216 Clc1ccc(cc1)COCc2ccccn2 34a_100000211118_100000721315 [1,1,0,0,0,0|2,0,0]=4 2962 B17R2.216 Clc1ccc(cc1)COCc2ccccn2 7a_100000211118_100000721315 [1,1,0,0,0,0|2,0,0]=4 2963 B17R2.216 Clc1ccc(cc1)CSCc2ccccn2 62a_100000187161_100000721315 [1,1,0,0,0,0|2,0,0]=4 2964 B17R2.216 Clc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000187161 [1,1,0,0,0,0|2,0,0]=4 2965 B17R2.216 Clc1ccc(cc1)NCCc2ccccc2 2230a_100000210052_100000765856 [1,1,0,0,0,0|1,0,0]=3 2966 B17R2.216 Clc1ccc(cc1)NCCc2ccccc2 34a_100000210052_100000765856 [1,1,0,0,0,0|1,0,0]=3 2967 B17R2.216 Clc1ccc(cc1)NCCc2ccccn2 2230a_100000210052_100015183660 [1,1,0,0,0,0|2,0,0]=4 2968 B17R2.216 Clc1ccc(cc1)NCCc2cccnc2 2230a_100000210052_200011713674 [1,1,0,0,0,0|2,0,0]=4 2969 B17R2.216 Clc1ccc(cc1)NCCc2ccncc2 2230a_100000210052_100000723409 [1,1,0,0,0,0|2,0,0]=4 2970 B17R2.216 Clc1ccc(cc1)NCSc2ccccc2 2230a_100000210052_100011218342 [1,1,0,0,0,0|2,0,0]=4 2971 B17R2.216 Clc1ccc(cc1)OCCc2ccccc2 34a_100000210216_100000765856 [1,1,0,0,0,0|2,0,0]=4 2972 B17R2.216 Clc1ccc(cc1)OCCc2ccccc2 7a_100000210216_100000765856 [1,1,0,0,0,0|2,0,0]=4 2973 B17R2.216 Clc1ccc(cc1)OCCc2ccccn2 7a_100000210216_100015183660 [1,1,0,0,0,0|2,0,0]=4 2974 B17R2.216 Clc1ccc(cc1)SCCc2ccccc2 62a_100000755918_100011218657 [1,1,0,0,0,0|2,0,0]=4 2975 B17R2.216 Clc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000755918 [1,1,0,0,0,0|2,0,0]=4 2976 B17R2.216 Clc1ccc(cc1)SCCc2ccccn2 62a_100000755918_100015183660 [1,1,0,0,0,0|2,0,0]=4 2977 B17R2.216 Clc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000755918 [1,1,0,0,0,0|2,0,0]=4 2978 B17R2.216 Clc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100011356976 [1,1,0,0,0,0|1,0,1]=4 2979 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100011361569 [1,1,0,0,0,0|2,0,0]=4 2980 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100012066911 [1,1,0,0,0,0|2,0,0]=4 2981 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 270004a_100000697193_100015611070 [1,1,0,0,0,0|2,0,0]=4 2982 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100011361569 [1,1,0,0,0,0|2,0,0]=4 2983 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 34a_100000697193_100015291786 [1,1,0,0,0,0|2,0,0]=4 2984 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100012066911 [1,1,0,0,0,0|2,0,0]=4 2985 B17R2.216 Clc1ccc(nc1)COCc2ccccc2 34a_100000210790_100012066911 [1,1,0,0,0,0|2,0,0]=4 2986 B17R2.216 Clc1ccc(nc1)COCc2ccccc2 34a_100000703999_100015291786 [1,1,0,0,0,0|2,0,0]=4 2987 B17R2.216 Clc1ccc(nc1)COCc2ccccc2 7a_100000210790_100012066911 [1,1,0,0,0,0|2,0,0]=4 2988 B17R2.216 Clc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000697101 [1,1,0,0,0,0|2,0,0]=4 2989 B17R2.216 Clc1ccc(nc1)CSCc2ccccc2 62a_100012066911_100015291786 [1,1,0,0,0,0|2,0,0]=4 2990 B17R2.216 Clc1ccc(nc1)NN=Cc2ccccc2 4a_100011206499_100015611070 [1,1,0,0,0,0|1,0,1]=4 2991 B17R2.216 Clc1ccc(nc1)OCCc2ccccc2 34a_100011215309_100000765856 [1,1,0,0,0,0|1,0,0]=3 2992 B17R2.216 Clc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100011356976 [1,1,0,0,0,0|1,0,0]=3 2993 B17R2.216 Clc1ccc(nc1)SCCc2ccccc2 62a_100011356976_100011218657 [1,1,0,0,0,0|1,0,0]=3 2994 B17R2.216 Clc1ccc(nc1)SCCc2ccccn2 62a_100011356976_100015183660 [1,1,0,0,0,0|2,0,0]=4 2995 B17R2.216 Clc1ccc(nc1)SCCc2ccccn2 62a_100015183660_100011356976 [1,1,0,0,0,0|2,0,0]=4 2996 B17R2.216 Clc1ccc(nc1)SCCc2cccnc2 62a_100011356976_200011713674 [1,1,0,0,0,0|2,0,0]=4 2997 B17R2.216 Clc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100011356976 [1,1,0,0,0,0|2,0,0]=4 2998 B17R2.216 Clc1ccc(nc1)SCCc2ccncc2 62a_100000723409_100011356976 [1,1,0,0,0,0|2,0,0]=4 2999 B17R2.216 Clc1ccc(nc1)SCCc2ccncc2 62a_100011356976_100000723409 [1,1,0,0,0,0|2,0,0]=4 3000 B17R2.216 Clc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100011356976 [1,1,0,0,0,0|2,0,0]=4 3001 B17R2.216 Clc1ccc(nc1)SCSc2ccccc2 62a_100011356976_100011218342 [1,1,0,0,0,0|2,0,0]=4 3002 B17R2.216 Clc1ccc(nn1)SCCc2ccccc2 62a_100000068654_100011218657 [1,1,0,0,0,0|2,0,0]=4 3003 B17R2.216 Clc1ccc(nn1)SCCc2ccccc2 62a_100000765856_100000068654 [1,1,0,0,0,0|2,0,0]=4 3004 B17R2.216 Clc1cnc(cn1)OCCc2ccccc2 34a_100015839800_100000765856 [1,1,0,0,0,0|2,0,0]=4 3005 B17R2.216 Clc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100010214907 [1,1,0,0,0,0|2,0,0]=4 3006 B17R2.216 Clc1cnc(cn1)SCCc2ccccc2 62a_100010214907_100011218657 [1,1,0,0,0,0|2,0,0]=4 3007 B17R2.216 Clc1cnc(nc1)NCCc2ccccc2 27a_100000106460_100011356929 [1,1,0,0,0,0|1,0,0]=3 3008 B17R2.216 Clc1cnc(nc1)NCCc2ccccn2 27a_100000211156_100011356929 [1,1,0,0,0,0|2,0,0]=4 3009 B17R2.216 Clc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100011356929 [1,1,0,0,0,0|2,0,0]=4 3010 B17R2.216 Clc1cnc(nc1)NCCc2ccncc2 27a_100000742849_100011356929 [1,1,0,0,0,0|2,0,0]=4 3011 B17R2.216 Clc1cnc(nc1)SCCc2ccccc2 62a_100000765856_100011356929 [1,1,0,0,0,0|2,0,0]=4 3012 B17R2.216 Clc1cnc(nc1)SCCc2ccccc2 62a_100011356929_100011218657 [1,1,0,0,0,0|2,0,0]=4 3013 B17R2.216 Fc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000210084 [1,1,0,0,0,0|1,0,1]=4 3014 B17R2.216 Fc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011217392 [1,1,0,0,0,0|1,0,0]=3 3015 B17R2.216 Fc1ccc(cc1)CCNc2cccnn2 27a_100000199005_100016991348 [1,1,0,0,0,0|1,0,0]=3 3016 B17R2.216 Fc1ccc(cc1)CCNc2ccncn2 27a_100000199005_100000703185 [1,1,0,0,0,0|1,0,0]=3 3017 B17R2.216 Fc1ccc(cc1)CCNc2cnccn2 27a_100000199005_100000211759 [1,1,0,0,0,0|1,0,0]=3 3018 B17R2.216 Fc1ccc(cc1)CCNc2ncccn2 27a_100000199005_100000211032 [1,1,0,0,0,0|1,0,0]=3 3019 B17R2.216 Fc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011217392 [1,1,0,0,0,0|2,0,0]=4 3020 B17R2.216 Fc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011217392 [1,1,0,0,0,0|2,0,0]=4 3021 B17R2.216 Fc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011217392 [1,1,0,0,0,0|2,0,0]=4 3022 B17R2.216 Fc1ccc(cc1)CCSc2ccccc2 62a_100011217392_100000041952 [1,1,0,0,0,0|2,0,0]=4 3023 B17R2.216 Fc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011217392 [1,1,0,0,0,0|1,0,0]=3 3024 B17R2.216 Fc1ccc(cc1)CCSc2ccccn2 62a_100011217392_100011216584 [1,1,0,0,0,0|1,0,0]=3 3025 B17R2.216 Fc1ccc(cc1)CCSc2cccnn2 62a_100011217392_100016991348 [1,1,0,0,0,0|2,0,0]=4 3026 B17R2.216 Fc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011217392 [1,1,0,0,0,0|2,0,0]=4 3027 B17R2.216 Fc1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011217392 [1,1,0,0,0,0|2,0,0]=4 3028 B17R2.216 Fc1ccc(cc1)CCSc2ccncn2 62a_100011217392_100000703185 [1,1,0,0,0,0|2,0,0]=4 3029 B17R2.216 Fc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011217392 [1,1,0,0,0,0|2,0,0]=4 3030 B17R2.216 Fc1ccc(cc1)CCSc2cnccn2 62a_100011217392_100000211759 [1,1,0,0,0,0|2,0,0]=4 3031 B17R2.216 Fc1ccc(cc1)CCSc2ncccn2 62a_100000211032_100011217392 [1,1,0,0,0,0|2,0,0]=4 3032 B17R2.216 Fc1ccc(cc1)CCSc2ncccn2 62a_100011217392_100000211032 [1,1,0,0,0,0|2,0,0]=4 3033 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 207a_100000174882_100000209966 [1,1,0,0,0,0|2,0,0]=4 3034 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 2230a_100000174882_100000721315 [1,1,0,0,0,0|2,0,0]=4 3035 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 270004a_100000174882_100000209966 [1,1,0,0,0,0|2,0,0]=4 3036 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000210084 [1,1,0,0,0,0|2,0,0]=4 3037 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 34a_100000174882_100000721315 [1,1,0,0,0,0|2,0,0]=4 3038 B17R2.216 Fc1ccc(cc1)COCc2ccccn2 34a_100000210977_100000721315 [1,1,0,0,0,0|2,0,0]=4 3039 B17R2.216 Fc1ccc(cc1)COCc2ccccn2 7a_100000210977_100000721315 [1,1,0,0,0,0|2,0,0]=4 3040 B17R2.216 Fc1ccc(cc1)CSCc2ccccn2 62a_100000198546_100000721315 [1,1,0,0,0,0|2,0,0]=4 3041 B17R2.216 Fc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000187164 [1,1,0,0,0,0|2,0,0]=4 3042 B17R2.216 Fc1ccc(cc1)NCCc2ccccc2 34a_100000185862_100000765856 [1,1,0,0,0,0|1,0,0]=3 3043 B17R2.216 Fc1ccc(cc1)OCCc2ccccc2 34a_100000210339_100000765856 [1,1,0,0,0,0|2,0,0]=4 3044 B17R2.216 Fc1ccc(cc1)SCCc2ccccc2 62a_100000211213_100011218657 [1,1,0,0,0,0|2,0,0]=4 3045 B17R2.216 Fc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000211213 [1,1,0,0,0,0|2,0,0]=4 3046 B17R2.216 Fc1ccc(cc1)SCCc2ccccn2 62a_100000211213_100015183660 [1,1,0,0,0,0|2,0,0]=4 3047 B17R2.216 Fc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000211213 [1,1,0,0,0,0|2,0,0]=4 3048 B17R2.216 Fc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000744514 [1,1,0,0,0,0|1,0,1]=4 3049 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100011934744 [1,1,0,0,0,0|2,0,0]=4 3050 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100000703193 [1,1,0,0,0,0|2,0,0]=4 3051 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100011934744 [1,1,0,0,0,0|2,0,0]=4 3052 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100000703193 [1,1,0,0,0,0|2,0,0]=4 3053 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 34a_100020620131_100015291786 [1,1,0,0,0,0|2,0,0]=4 3054 B17R2.216 Fc1ccc(nc1)COCc2ccccc2 34a_100000210790_100000703193 [1,1,0,0,0,0|2,0,0]=4 3055 B17R2.216 Fc1ccc(nc1)COCc2ccccc2 34a_100011999454_100015291786 [1,1,0,0,0,0|2,0,0]=4 3056 B17R2.216 Fc1ccc(nc1)COCc2ccccc2 7a_100000210790_100000703193 [1,1,0,0,0,0|2,0,0]=4 3057 B17R2.216 Fc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000703193 [1,1,0,0,0,0|2,0,0]=4 3058 B17R2.216 Fc1ccc(nc1)CSCc2ccccc2 62a_100000703193_100015291786 [1,1,0,0,0,0|2,0,0]=4 3059 B17R2.216 Fc1ccc(nc1)NN=Cc2ccccc2 4a_100000753838_100015611070 [1,1,0,0,0,0|1,0,1]=4 3060 B17R2.216 Fc1ccc(nc1)OCCc2ccccc2 34a_100000742473_100000765856 [1,1,0,0,0,0|1,0,0]=3 3061 B17R2.216 Fc1ccc(nc1)SCCc2ccccc2 62a_100000744514_100011218657 [1,1,0,0,0,0|1,0,0]=3 3062 B17R2.216 Fc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000744514 [1,1,0,0,0,0|1,0,0]=3 3063 B17R2.216 Fc1ccc(nc1)SCCc2ccccn2 62a_100000744514_100015183660 [1,1,0,0,0,0|2,0,0]=4 3064 B17R2.216 Fc1ccc(nc1)SCCc2ccccn2 62a_100015183660_100000744514 [1,1,0,0,0,0|2,0,0]=4 3065 B17R2.216 Fc1ccc(nc1)SCCc2cccnc2 62a_100000744514_200011713674 [1,1,0,0,0,0|2,0,0]=4 3066 B17R2.216 Fc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000744514 [1,1,0,0,0,0|2,0,0]=4 3067 B17R2.216 Fc1ccc(nc1)SCCc2ccncc2 62a_100000723409_100000744514 [1,1,0,0,0,0|2,0,0]=4 3068 B17R2.216 Fc1ccc(nc1)SCCc2ccncc2 62a_100000744514_100000723409 [1,1,0,0,0,0|2,0,0]=4 3069 B17R2.216 Fc1ccc(nc1)SCSc2ccccc2 62a_100000744514_100011218342 [1,1,0,0,0,0|2,0,0]=4 3070 B17R2.216 Fc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000744514 [1,1,0,0,0,0|2,0,0]=4 3071 B17R2.216 Fc1cnc(cn1)NCCc2ccccc2 27a_100000106460_100009856528 [1,1,0,0,0,0|1,0,0]=3 3072 B17R2.216 Fc1cnc(cn1)NCCc2ccccn2 27a_100000211156_100009856528 [1,1,0,0,0,0|2,0,0]=4 3073 B17R2.216 Fc1cnc(cn1)NCCc2cccnc2 27a_100000736294_100009856528 [1,1,0,0,0,0|2,0,0]=4 3074 B17R2.216 Fc1cnc(cn1)NCCc2ccncc2 27a_100000742849_100009856528 [1,1,0,0,0,0|2,0,0]=4 3075 B17R2.216 Fc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100009856528 [1,1,0,0,0,0|2,0,0]=4 3076 B17R2.216 Fc1cnc(cn1)SCCc2ccccc2 62a_100009856528_100011218657 [1,1,0,0,0,0|2,0,0]=4 3077 B17R2.216 Fc1cnc(nc1)NCCc2ccccc2 27a_100000106460_100000685220 [1,1,0,0,0,0|1,0,0]=3 3078 B17R2.216 Fc1cnc(nc1)NCCc2ccccn2 27a_100000211156_100000685220 [1,1,0,0,0,0|2,0,0]=4 3079 B17R2.216 Fc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000685220 [1,1,0,0,0,0|2,0,0]=4 3080 B17R2.216 Fc1cnc(nc1)NCCc2ccncc2 27a_100000742849_100000685220 [1,1,0,0,0,0|2,0,0]=4 3081 B17R2.216 Fc1cnc(nc1)OCCc2ccccc2 34a_100011934040_100000765856 [1,1,0,0,0,0|2,0,0]=4 3082 B17R2.216 Fc1cnc(nc1)SCCc2ccccc2 62a_100000685220_100011218657 [1,1,0,0,0,0|2,0,0]=4 3083 B17R2.216 Fc1cnc(nc1)SCCc2ccccc2 62a_100000765856_100000685220 [1,1,0,0,0,0|2,0,0]=4 3084 B17R2.216 Ic1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000188517 [1,1,0,0,0,0|1,0,1]=4 3085 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 207a_100016989417_100000209966 [1,1,0,0,0,0|2,0,0]=4 3086 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 2230a_100016989417_100000721315 [1,1,0,0,0,0|2,0,0]=4 3087 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 270004a_100016989417_100000209966 [1,1,0,0,0,0|2,0,0]=4 3088 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 34a_100016989417_100000721315 [1,1,0,0,0,0|2,0,0]=4 3089 B17R2.216 Ic1ccc(cc1)COCc2ccccn2 34a_100000690907_100000721315 [1,1,0,0,0,0|2,0,0]=4 3090 B17R2.216 Ic1ccc(cc1)COCc2ccccn2 7a_100000690907_100000721315 [1,1,0,0,0,0|2,0,0]=4 3091 B17R2.216 Ic1ccc(cc1)CSCc2ccccn2 62a_100000189116_100000721315 [1,1,0,0,0,0|2,0,0]=4 3092 B17R2.216 Ic1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000189116 [1,1,0,0,0,0|2,0,0]=4 3093 B17R2.216 Ic1ccc(cc1)NCCc2ccccc2 34a_100000185761_100000765856 [1,1,0,0,0,0|1,0,0]=3 3094 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 34a_100000212066_100000765856 [1,1,0,0,0,0|2,0,0]=4 3095 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 7a_100000212066_100000765856 [1,1,0,0,0,0|2,0,0]=4 3096 B17R2.216 Ic1ccc(cc1)OCCc2ccccn2 7a_100000212066_100015183660 [1,1,0,0,0,0|2,0,0]=4 3097 B17R2.216 Ic1ccc(nc1)NN=Cc2ccccc2 4a_100010221006_100015611070 [1,1,0,0,0,0|1,0,1]=4 3098 B17R2.216 Nc1ccc(cc1)COCc2ccccn2 34a_100011215238_100000721315 [1,1,0,0,0,0|2,0,0]=4 3099 B17R2.216 Nc1ccc(cc1)OCCc2ccccc2 34a_100000185829_100000765856 [1,1,0,0,0,0|2,0,0]=4 3100 B17R2.216 Nc1ccc(cc1)SCCc2ccccc2 62a_100000185761_100011218657 [1,1,0,0,0,0|2,0,0]=4 3101 B17R2.216 Nc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000185761 [1,1,0,0,0,0|2,0,0]=4 3102 B17R2.216 Nc1ccc(cc1)SCCc2ccccn2 62a_100000185761_100015183660 [1,1,0,0,0,0|2,0,0]=4 3103 B17R2.216 Nc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000185761 [1,1,0,0,0,0|2,0,0]=4 3104 B17R2.216 Nc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000744251 [1,1,0,0,0,0|1,0,1]=4 3105 B17R2.216 Nc1ccc(nc1)COCc2ccccc2 34a_100011998161_100015291786 [1,1,0,0,0,0|2,0,0]=4 3106 B17R2.216 Nc1ccc(nc1)OCCc2ccccc2 34a_100000729260_100000765856 [1,1,0,0,0,0|1,0,0]=3 3107 B17R2.216 Nc1ccc(nc1)SCCc2ccccc2 62a_100000737798_100011218657 [1,1,0,0,0,0|1,0,0]=3 3108 B17R2.216 Nc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000737798 [1,1,0,0,0,0|1,0,0]=3 3109 B17R2.216 Nc1ccc(nc1)SCCc2ccccn2 62a_100000737798_100015183660 [1,1,0,0,0,0|2,0,0]=4 3110 B17R2.216 Nc1ccc(nc1)SCCc2ccccn2 62a_100015183660_100000737798 [1,1,0,0,0,0|2,0,0]=4 3111 B17R2.216 Nc1ccc(nc1)SCCc2cccnc2 62a_100000737798_200011713674 [1,1,0,0,0,0|2,0,0]=4 3112 B17R2.216 Nc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000737798 [1,1,0,0,0,0|2,0,0]=4 3113 B17R2.216 Nc1ccc(nc1)SCCc2ccncc2 62a_100000723409_100000737798 [1,1,0,0,0,0|2,0,0]=4 3114 B17R2.216 Nc1ccc(nc1)SCCc2ccncc2 62a_100000737798_100000723409 [1,1,0,0,0,0|2,0,0]=4 3115 B17R2.216 Nc1ccc(nc1)SCSc2ccccc2 62a_100000737798_100011218342 [1,1,0,0,0,0|2,0,0]=4 3116 B17R2.216 Nc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000737798 [1,1,0,0,0,0|2,0,0]=4 3117 B17R2.216 Nc1ccc(nn1)SCCc2ccccc2 62a_100000765856_100010219413 [1,1,0,0,0,0|2,0,0]=4 3118 B17R2.216 Nc1ccc(nn1)SCCc2ccccc2 62a_100010219413_100011218657 [1,1,0,0,0,0|2,0,0]=4 3119 B17R2.216 Nc1cnc(cn1)SCCc2ccccc2 62a_100000744751_100011218657 [1,1,0,0,0,0|2,0,0]=4 3120 B17R2.216 Nc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100000744751 [1,1,0,0,0,0|2,0,0]=4 3121 B17R2.216 Nc1cnc(nc1)SCCc2ccccc2 62a_100000068403_100011218657 [1,1,0,0,0,0|2,0,0]=4 3122 B17R2.216 Nc1cnc(nc1)SCCc2ccccc2 62a_100000765856_100000068403 [1,1,0,0,0,0|2,0,0]=4 3123 B17R2.216 Nc1ncc(nn1)NCCc2ccccc2 27a_100000106460_100000691435 [1,1,0,0,0,0|2,0,0]=4 3124 B17R2.216 O=c1ccc(n[nH]1)SCCc2ccccc2 62a_100000765856_100009820020 [1,1,0,0,0,0|2,0,0]=4 3125 B17R2.216 O=c1ccc(n[nH]1)SCCc2ccccc2 62a_100009820020_100011218657 [1,1,0,0,0,0|2,0,0]=4 3126 B17R2.216 Oc1ccc(cc1)C=NNc2ccccn2 4a_100000183288_100000185832 [1,1,0,0,0,0|1,0,1]=4 3127 B17R2.216 Oc1ccc(cc1)CCNc2cccnn2 27a_100000743037_100016991348 [1,1,0,0,0,0|1,0,0]=3 3128 B17R2.216 Oc1ccc(cc1)CCNc2ccncn2 27a_100000743037_100000703185 [1,1,0,0,0,0|1,0,0]=3 3129 B17R2.216 Oc1ccc(cc1)CCNc2cnccn2 27a_100000743037_100000211759 [1,1,0,0,0,0|1,0,0]=3 3130 B17R2.216 Oc1ccc(cc1)CCNc2ncccn2 27a_100000743037_100000211032 [1,1,0,0,0,0|1,0,0]=3 3131 B17R2.216 Oc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100009816426 [1,1,0,0,0,0|2,0,0]=4 3132 B17R2.216 Oc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100009816426 [1,1,0,0,0,0|2,0,0]=4 3133 B17R2.216 Oc1ccc(cc1)CCSc2ccccc2 62a_100009816426_100000041952 [1,1,0,0,0,0|2,0,0]=4 3134 B17R2.216 Oc1ccc(cc1)CCSc2ccccn2 62a_100009816426_100011216584 [1,1,0,0,0,0|1,0,0]=3 3135 B17R2.216 Oc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100009816426 [1,1,0,0,0,0|1,0,0]=3 3136 B17R2.216 Oc1ccc(cc1)CCSc2cccnn2 62a_100009816426_100016991348 [1,1,0,0,0,0|2,0,0]=4 3137 B17R2.216 Oc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100009816426 [1,1,0,0,0,0|2,0,0]=4 3138 B17R2.216 Oc1ccc(cc1)CCSc2ccncn2 62a_100000703185_100009816426 [1,1,0,0,0,0|2,0,0]=4 3139 B17R2.216 Oc1ccc(cc1)CCSc2ccncn2 62a_100009816426_100000703185 [1,1,0,0,0,0|2,0,0]=4 3140 B17R2.216 Oc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100009816426 [1,1,0,0,0,0|2,0,0]=4 3141 B17R2.216 Oc1ccc(cc1)CCSc2cnccn2 62a_100009816426_100000211759 [1,1,0,0,0,0|2,0,0]=4 3142 B17R2.216 Oc1ccc(cc1)CCSc2ncccn2 62a_100000211032_100009816426 [1,1,0,0,0,0|2,0,0]=4 3143 B17R2.216 Oc1ccc(cc1)CCSc2ncccn2 62a_100009816426_100000211032 [1,1,0,0,0,0|2,0,0]=4 3144 B17R2.216 Oc1ccc(cc1)CNCc2ccccn2 34a_100000185549_100000721315 [1,1,0,0,0,0|2,0,0]=4 3145 B17R2.216 Oc1ccc(cc1)NCCc2ccccc2 34a_100000185829_100000765856 [1,1,0,0,0,0|1,0,0]=3 3146 B17R2.216 Oc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000185759 [1,1,0,0,0,0|2,0,0]=4 3147 B17R2.216 Oc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000185759 [1,1,0,0,0,0|2,0,0]=4 3148 B17R2.216 Oc1ccc(nc1)C=CCc2ccccc2 271570a_200016263579_100000685995 [1,1,0,0,0,0|1,0,1]=4 3149 B17R2.216 Oc1ccc(nc1)SCCc2ccccc2 62a_100000685995_100011218657 [1,1,0,0,0,0|1,0,0]=3 3150 B17R2.216 Oc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000744096 [1,1,0,0,0,0|1,0,0]=3 3151 B17R2.216 Oc1ccc(nc1)SCCc2ccccn2 62a_100000685995_100015183660 [1,1,0,0,0,0|2,0,0]=4 3152 B17R2.216 Oc1ccc(nc1)SCCc2ccccn2 62a_100015183660_100000744096 [1,1,0,0,0,0|2,0,0]=4 3153 B17R2.216 Oc1ccc(nc1)SCCc2cccnc2 62a_100000685995_200011713674 [1,1,0,0,0,0|2,0,0]=4 3154 B17R2.216 Oc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000744096 [1,1,0,0,0,0|2,0,0]=4 3155 B17R2.216 Oc1ccc(nc1)SCCc2ccncc2 62a_100000685995_100000723409 [1,1,0,0,0,0|2,0,0]=4 3156 B17R2.216 Oc1ccc(nc1)SCCc2ccncc2 62a_100000723409_100000744096 [1,1,0,0,0,0|2,0,0]=4 3157 B17R2.216 Oc1ccc(nc1)SCSc2ccccc2 62a_100000685995_100011218342 [1,1,0,0,0,0|2,0,0]=4 3158 B17R2.216 Oc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000744096 [1,1,0,0,0,0|2,0,0]=4 3159 B17R2.216 Oc1ccc(nn1)NCCc2ccccc2 271570a_203496583355_100000215314 [1,1,0,0,0,0|1,0,0]=3 3160 B17R2.216 Oc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100015839800 [1,1,0,0,0,0|2,0,0]=4 3161 B17R2.216 Oc1cnc(cn1)SCCc2ccccc2 62a_100011934580_100011218657 [1,1,0,0,0,0|2,0,0]=4 3162 B17R2.216 Oc1cnc(nc1)SCCc2ccccc2 62a_100000730009_100011218657 [1,1,0,0,0,0|2,0,0]=4 3163 B17R2.216 Oc1cnc(nc1)SCCc2ccccc2 62a_100000765856_100000092845 [1,1,0,0,0,0|2,0,0]=4 3164 B17R2.3956 Brc1ccccc1C=NNc2ccccn2 4a_100000183288_100000211189 [1,1,0,0,0,0|1,0,1]=4 3165 B17R2.3956 Brc1ccccc1CCNc2ccccc2 34a_100000106764_100012161201 [1,1,0,0,0,0|1,0,0]=3 3166 B17R2.3956 Brc1ccccc1CCNc2cccnn2 27a_100000747383_100016991348 [1,1,0,0,0,0|1,0,0]=3 3167 B17R2.3956 Brc1ccccc1CCNc2ccncn2 27a_100000747383_100000703185 [1,1,0,0,0,0|1,0,0]=3 3168 B17R2.3956 Brc1ccccc1CCNc2cnccn2 27a_100000747383_100000211759 [1,1,0,0,0,0|1,0,0]=3 3169 B17R2.3956 Brc1ccccc1CCNc2ncccn2 27a_100000747383_100000211032 [1,1,0,0,0,0|1,0,0]=3 3170 B17R2.3956 Brc1ccccc1CCOc2ccccc2 34a_100000210340_100012161201 [1,1,0,0,0,0|2,0,0]=4 3171 B17R2.3956 Brc1ccccc1CCOc2ccccc2 7a_100000210340_100012161201 [1,1,0,0,0,0|2,0,0]=4 3172 B17R2.3956 Brc1ccccc1CCSc2ccccc2 62a_100000719477_100012161201 [1,1,0,0,0,0|2,0,0]=4 3173 B17R2.3956 Brc1ccccc1CCSc2ccccc2 62a_100012161201_100000041952 [1,1,0,0,0,0|2,0,0]=4 3174 B17R2.3956 Brc1ccccc1CCSc2ccccn2 62a_100011216584_100012161201 [1,1,0,0,0,0|1,0,0]=3 3175 B17R2.3956 Brc1ccccc1CCSc2ccccn2 62a_100012161201_100011216584 [1,1,0,0,0,0|1,0,0]=3 3176 B17R2.3956 Brc1ccccc1CCSc2cccnn2 62a_100012161201_100016991348 [1,1,0,0,0,0|2,0,0]=4 3177 B17R2.3956 Brc1ccccc1CCSc2cccnn2 62a_100016991348_100012161201 [1,1,0,0,0,0|2,0,0]=4 3178 B17R2.3956 Brc1ccccc1CCSc2ccncn2 62a_100000703185_100012161201 [1,1,0,0,0,0|2,0,0]=4 3179 B17R2.3956 Brc1ccccc1CCSc2ccncn2 62a_100012161201_100000703185 [1,1,0,0,0,0|2,0,0]=4 3180 B17R2.3956 Brc1ccccc1CCSc2cnccn2 62a_100000211759_100012161201 [1,1,0,0,0,0|2,0,0]=4 3181 B17R2.3956 Brc1ccccc1CCSc2cnccn2 62a_100012161201_100000211759 [1,1,0,0,0,0|2,0,0]=4 3182 B17R2.3956 Brc1ccccc1CCSc2ncccn2 62a_100000211032_100012161201 [1,1,0,0,0,0|2,0,0]=4 3183 B17R2.3956 Brc1ccccc1CCSc2ncccn2 62a_100012161201_100000211032 [1,1,0,0,0,0|2,0,0]=4 3184 B17R2.3956 Brc1ccccc1CNCc2ccccn2 207a_100000689332_100000209966 [1,1,0,0,0,0|2,0,0]=4 3185 B17R2.3956 Brc1ccccc1CNCc2ccccn2 2230a_100000689332_100000721315 [1,1,0,0,0,0|2,0,0]=4 3186 B17R2.3956 Brc1ccccc1CNCc2ccccn2 270004a_100000210449_100000211189 [1,1,0,0,0,0|2,0,0]=4 3187 B17R2.3956 Brc1ccccc1CNCc2ccccn2 270004a_100000689332_100000209966 [1,1,0,0,0,0|2,0,0]=4 3188 B17R2.3956 Brc1ccccc1CNCc2ccccn2 34a_100000689332_100000721315 [1,1,0,0,0,0|2,0,0]=4 3189 B17R2.3956 Brc1ccccc1COCc2ccccn2 34a_100000756307_100000721315 [1,1,0,0,0,0|2,0,0]=4 3190 B17R2.3956 Brc1ccccc1COCc2ccccn2 7a_100000756307_100000721315 [1,1,0,0,0,0|2,0,0]=4 3191 B17R2.3956 Brc1ccccc1CSCc2ccccn2 62a_100000184730_100000721315 [1,1,0,0,0,0|2,0,0]=4 3192 B17R2.3956 Brc1ccccc1CSCc2ccccn2 62a_100000721315_100000184730 [1,1,0,0,0,0|2,0,0]=4 3193 B17R2.3956 Brc1ccccc1NCCc2ccccc2 34a_100000210017_100000765856 [1,1,0,0,0,0|1,0,0]=3 3194 B17R2.3956 Brc1ccccc1OCCc2ccccc2 34a_100000181306_100000765856 [1,1,0,0,0,0|2,0,0]=4 3195 B17R2.3956 Brc1ccccc1OCCc2ccccc2 7a_100000181306_100000765856 [1,1,0,0,0,0|2,0,0]=4 3196 B17R2.3956 Brc1ccccc1OCCc2ccccn2 7a_100000181306_100015183660 [1,1,0,0,0,0|2,0,0]=4 3197 B17R2.3956 Brc1ccccc1SCCc2ccccc2 62a_100000695589_100011218657 [1,1,0,0,0,0|2,0,0]=4 3198 B17R2.3956 Brc1ccccc1SCCc2ccccc2 62a_100000765856_100000695589 [1,1,0,0,0,0|2,0,0]=4 3199 B17R2.3956 Brc1ccccc1SCCc2ccccn2 62a_100000695589_100015183660 [1,1,0,0,0,0|2,0,0]=4 3200 B17R2.3956 Brc1ccccc1SCCc2ccccn2 62a_100015183660_100000695589 [1,1,0,0,0,0|2,0,0]=4 3201 B17R2.3956 Brc1cccnc1C=CCc2ccccc2 271570a_200016263579_100000696092 [1,1,0,0,0,0|1,0,1]=4 3202 B17R2.3956 Brc1cccnc1CNCc2ccccc2 207a_100015324214_100011934733 [1,1,0,0,0,0|2,0,0]=4 3203 B17R2.3956 Brc1cccnc1CNCc2ccccc2 2230a_100015324214_100025702911 [1,1,0,0,0,0|2,0,0]=4 3204 B17R2.3956 Brc1cccnc1CNCc2ccccc2 270004a_100015324214_100011934733 [1,1,0,0,0,0|2,0,0]=4 3205 B17R2.3956 Brc1cccnc1CNCc2ccccc2 270004a_100020591323_100015611070 [1,1,0,0,0,0|2,0,0]=4 3206 B17R2.3956 Brc1cccnc1CNCc2ccccc2 34a_100015324214_100025702911 [1,1,0,0,0,0|2,0,0]=4 3207 B17R2.3956 Brc1cccnc1COCc2ccccc2 34a_100000210790_100025702911 [1,1,0,0,0,0|2,0,0]=4 3208 B17R2.3956 Brc1cccnc1COCc2ccccc2 34a_100011996772_100015291786 [1,1,0,0,0,0|2,0,0]=4 3209 B17R2.3956 Brc1cccnc1COCc2ccccc2 7a_100000210790_100025702911 [1,1,0,0,0,0|2,0,0]=4 3210 B17R2.3956 Brc1cccnc1CSCc2ccccc2 62a_100000211182_100025702911 [1,1,0,0,0,0|2,0,0]=4 3211 B17R2.3956 Brc1cccnc1CSCc2ccccc2 62a_100025702911_100015291786 [1,1,0,0,0,0|2,0,0]=4 3212 B17R2.3956 Brc1cccnc1NCCc2ccccc2 27a_100000106460_100000696092 [1,1,0,0,0,0|0,0,0]=2 3213 B17R2.3956 Brc1cccnc1NCCc2ccccn2 27a_100000211156_100000696092 [1,1,0,0,0,0|1,0,0]=3 3214 B17R2.3956 Brc1cccnc1NCCc2cccnc2 27a_100000736294_100000696092 [1,1,0,0,0,0|1,0,0]=3 3215 B17R2.3956 Brc1cccnc1NCCc2ccncc2 27a_100000742849_100000696092 [1,1,0,0,0,0|1,0,0]=3 3216 B17R2.3956 Brc1cccnc1NCCc2cnccn2 27a_100000723456_100000696092 [1,1,0,0,0,0|2,0,0]=4 3217 B17R2.3956 Brc1cccnc1NN=Cc2ccccc2 4a_100011464834_100015611070 [1,1,0,0,0,0|1,0,1]=4 3218 B17R2.3956 Brc1cccnc1SCCc2ccccc2 62a_100000696092_100011218657 [1,1,0,0,0,0|1,0,0]=3 3219 B17R2.3956 Brc1cccnc1SCCc2ccccc2 62a_100000765856_100000696092 [1,1,0,0,0,0|1,0,0]=3 3220 B17R2.3956 Brc1cccnc1SCCc2ccccn2 62a_100000696092_100015183660 [1,1,0,0,0,0|2,0,0]=4 3221 B17R2.3956 Brc1cccnc1SCCc2ccccn2 62a_100015183660_100000696092 [1,1,0,0,0,0|2,0,0]=4 3222 B17R2.3956 Brc1cccnc1SCCc2cccnc2 62a_100000696092_200011713674 [1,1,0,0,0,0|2,0,0]=4 3223 B17R2.3956 Brc1cccnc1SCCc2cccnc2 62a_200011713674_100000696092 [1,1,0,0,0,0|2,0,0]=4 3224 B17R2.3956 Brc1cccnc1SCCc2ccncc2 62a_100000696092_100000723409 [1,1,0,0,0,0|2,0,0]=4 3225 B17R2.3956 Brc1cccnc1SCCc2ccncc2 62a_100000723409_100000696092 [1,1,0,0,0,0|2,0,0]=4 3226 B17R2.3956 Brc1cccnc1SCSc2ccccc2 62a_100000696092_100011218342 [1,1,0,0,0,0|2,0,0]=4 3227 B17R2.3956 Brc1cccnc1SCSc2ccccc2 62a_100011218342_100000696092 [1,1,0,0,0,0|2,0,0]=4 3228 B17R2.3956 Brc1cnccc1NCCc2ccccc2 27a_100000106460_100000726257 [1,1,0,0,0,0|2,0,0]=4 3229 B17R2.3956 C[n+]1ccccc1SCCc2ccccc2 62a_100000765856_100000212160 [1,1,0,0,0,0|1,0,1]=4 3230 B17R2.3956 Cc1ccccc1C=NNc2ccccn2 4a_100000183288_100000211143 [1,1,0,0,0,0|1,0,1]=4 3231 B17R2.3956 Cc1ccccc1CCNc2ccccc2 34a_100000106764_100011713688 [1,1,0,0,0,0|1,0,0]=3 3232 B17R2.3956 Cc1ccccc1CCNc2cccnn2 27a_100000685071_100016991348 [1,1,0,0,0,0|1,0,0]=3 3233 B17R2.3956 Cc1ccccc1CCNc2ccncn2 27a_100000685071_100000703185 [1,1,0,0,0,0|1,0,0]=3 3234 B17R2.3956 Cc1ccccc1CCNc2cnccn2 27a_100000685071_100000211759 [1,1,0,0,0,0|1,0,0]=3 3235 B17R2.3956 Cc1ccccc1CCNc2ncccn2 27a_100000685071_100000211032 [1,1,0,0,0,0|1,0,0]=3 3236 B17R2.3956 Cc1ccccc1CCOc2ccccc2 34a_100000210340_100011713688 [1,1,0,0,0,0|2,0,0]=4 3237 B17R2.3956 Cc1ccccc1CCOc2ccccc2 7a_100000210340_100011713688 [1,1,0,0,0,0|2,0,0]=4 3238 B17R2.3956 Cc1ccccc1CCSc2ccccc2 62a_100000719477_100011713688 [1,1,0,0,0,0|2,0,0]=4 3239 B17R2.3956 Cc1ccccc1CCSc2ccccc2 62a_100011713688_100000041952 [1,1,0,0,0,0|2,0,0]=4 3240 B17R2.3956 Cc1ccccc1CCSc2ccccn2 62a_100011216584_100011713688 [1,1,0,0,0,0|1,0,0]=3 3241 B17R2.3956 Cc1ccccc1CCSc2ccccn2 62a_100011713688_100011216584 [1,1,0,0,0,0|1,0,0]=3 3242 B17R2.3956 Cc1ccccc1CCSc2cccnn2 62a_100011713688_100016991348 [1,1,0,0,0,0|2,0,0]=4 3243 B17R2.3956 Cc1ccccc1CCSc2cccnn2 62a_100016991348_100011713688 [1,1,0,0,0,0|2,0,0]=4 3244 B17R2.3956 Cc1ccccc1CCSc2ccncn2 62a_100000703185_100011713688 [1,1,0,0,0,0|2,0,0]=4 3245 B17R2.3956 Cc1ccccc1CCSc2ccncn2 62a_100011713688_100000703185 [1,1,0,0,0,0|2,0,0]=4 3246 B17R2.3956 Cc1ccccc1CCSc2cnccn2 62a_100000211759_100011713688 [1,1,0,0,0,0|2,0,0]=4 3247 B17R2.3956 Cc1ccccc1CCSc2cnccn2 62a_100011713688_100000211759 [1,1,0,0,0,0|2,0,0]=4 3248 B17R2.3956 Cc1ccccc1CCSc2ncccn2 62a_100000211032_100011713688 [1,1,0,0,0,0|2,0,0]=4 3249 B17R2.3956 Cc1ccccc1CCSc2ncccn2 62a_100011713688_100000211032 [1,1,0,0,0,0|2,0,0]=4 3250 B17R2.3956 Cc1ccccc1CNCc2ccccn2 207a_100000174972_100000209966 [1,1,0,0,0,0|2,0,0]=4 3251 B17R2.3956 Cc1ccccc1CNCc2ccccn2 270004a_100000174972_100000209966 [1,1,0,0,0,0|2,0,0]=4 3252 B17R2.3956 Cc1ccccc1CNCc2ccccn2 270004a_100000210449_100000211143 [1,1,0,0,0,0|2,0,0]=4 3253 B17R2.3956 Cc1ccccc1CNCc2ccccn2 34a_100000174972_100000721315 [1,1,0,0,0,0|2,0,0]=4 3254 B17R2.3956 Cc1ccccc1COCc2ccccn2 34a_100000698903_100000721315 [1,1,0,0,0,0|2,0,0]=4 3255 B17R2.3956 Cc1ccccc1COCc2ccccn2 7a_100000698903_100000721315 [1,1,0,0,0,0|2,0,0]=4 3256 B17R2.3956 Cc1ccccc1CSCc2ccccn2 62a_100000211839_100000721315 [1,1,0,0,0,0|2,0,0]=4 3257 B17R2.3956 Cc1ccccc1CSCc2ccccn2 62a_100000721315_100000211839 [1,1,0,0,0,0|2,0,0]=4 3258 B17R2.3956 Cc1ccccc1NCCc2ccccc2 34a_100015192222_100000765856 [1,1,0,0,0,0|1,0,0]=3 3259 B17R2.3956 Cc1ccccc1OCCc2ccccc2 34a_100000210338_100000765856 [1,1,0,0,0,0|2,0,0]=4 3260 B17R2.3956 Cc1ccccc1OCCc2ccccc2 7a_100000210338_100000765856 [1,1,0,0,0,0|2,0,0]=4 3261 B17R2.3956 Cc1ccccc1OCCc2ccccn2 7a_100000210338_100015183660 [1,1,0,0,0,0|2,0,0]=4 3262 B17R2.3956 Cc1ccccc1SCCc2ccccc2 62a_100000210755_100011218657 [1,1,0,0,0,0|2,0,0]=4 3263 B17R2.3956 Cc1ccccc1SCCc2ccccc2 62a_100000765856_100000210755 [1,1,0,0,0,0|2,0,0]=4 3264 B17R2.3956 Cc1ccccc1SCCc2ccccn2 62a_100000210755_100015183660 [1,1,0,0,0,0|2,0,0]=4 3265 B17R2.3956 Cc1ccccc1SCCc2ccccn2 62a_100015183660_100000210755 [1,1,0,0,0,0|2,0,0]=4 3266 B17R2.3956 Cc1cccnc1C=CCc2ccccc2 271570a_200016263579_100000751373 [1,1,0,0,0,0|1,0,1]=4 3267 B17R2.3956 Cc1cccnc1CNCc2ccccc2 207a_100015324214_100000698913 [1,1,0,0,0,0|2,0,0]=4 3268 B17R2.3956 Cc1cccnc1CNCc2ccccc2 2230a_100015324214_100000696600 [1,1,0,0,0,0|2,0,0]=4 3269 B17R2.3956 Cc1cccnc1CNCc2ccccc2 270004a_100015324214_100000698913 [1,1,0,0,0,0|2,0,0]=4 3270 B17R2.3956 Cc1cccnc1CNCc2ccccc2 34a_100011223789_100015291786 [1,1,0,0,0,0|2,0,0]=4 3271 B17R2.3956 Cc1cccnc1CNCc2ccccc2 34a_100015324214_100000696600 [1,1,0,0,0,0|2,0,0]=4 3272 B17R2.3956 Cc1cccnc1COCc2ccccc2 34a_100000210790_100000696600 [1,1,0,0,0,0|2,0,0]=4 3273 B17R2.3956 Cc1cccnc1COCc2ccccc2 34a_100000698912_100015291786 [1,1,0,0,0,0|2,0,0]=4 3274 B17R2.3956 Cc1cccnc1COCc2ccccc2 7a_100000210790_100000696600 [1,1,0,0,0,0|2,0,0]=4 3275 B17R2.3956 Cc1cccnc1CSCc2ccccc2 62a_100000211182_100000696600 [1,1,0,0,0,0|2,0,0]=4 3276 B17R2.3956 Cc1cccnc1CSCc2ccccc2 62a_100000696600_100015291786 [1,1,0,0,0,0|2,0,0]=4 3277 B17R2.3956 Cc1cccnc1NN=Cc2ccccc2 4a_100000708268_100015611070 [1,1,0,0,0,0|1,0,1]=4 3278 B17R2.3956 Cc1cccnc1SCCc2ccccc2 62a_100000751373_100011218657 [1,1,0,0,0,0|1,0,0]=3 3279 B17R2.3956 Cc1cccnc1SCCc2ccccc2 62a_100000765856_100000751373 [1,1,0,0,0,0|1,0,0]=3 3280 B17R2.3956 Cc1cccnc1SCCc2ccccn2 62a_100000751373_100015183660 [1,1,0,0,0,0|2,0,0]=4 3281 B17R2.3956 Cc1cccnc1SCCc2ccccn2 62a_100015183660_100000751373 [1,1,0,0,0,0|2,0,0]=4 3282 B17R2.3956 Cc1cccnc1SCCc2cccnc2 62a_100000751373_200011713674 [1,1,0,0,0,0|2,0,0]=4 3283 B17R2.3956 Cc1cccnc1SCCc2cccnc2 62a_200011713674_100000751373 [1,1,0,0,0,0|2,0,0]=4 3284 B17R2.3956 Cc1cccnc1SCCc2ccncc2 62a_100000723409_100000751373 [1,1,0,0,0,0|2,0,0]=4 3285 B17R2.3956 Cc1cccnc1SCCc2ccncc2 62a_100000751373_100000723409 [1,1,0,0,0,0|2,0,0]=4 3286 B17R2.3956 Cc1cccnc1SCSc2ccccc2 62a_100000751373_100011218342 [1,1,0,0,0,0|2,0,0]=4 3287 B17R2.3956 Cc1cccnc1SCSc2ccccc2 62a_100011218342_100000751373 [1,1,0,0,0,0|2,0,0]=4 3288 B17R2.3956 Cc1ccnnc1NCCc2ccccc2 27a_100000106460_100000089043 [1,1,0,0,0,0|1,0,0]=3 3289 B17R2.3956 Cc1ccnnc1NCCc2ccccn2 27a_100000211156_100000089043 [1,1,0,0,0,0|2,0,0]=4 3290 B17R2.3956 Cc1ccnnc1NCCc2cccnc2 27a_100000736294_100000089043 [1,1,0,0,0,0|2,0,0]=4 3291 B17R2.3956 Cc1ccnnc1NCCc2ccncc2 27a_100000742849_100000089043 [1,1,0,0,0,0|2,0,0]=4 3292 B17R2.3956 Cc1ccnnc1SCCc2ccccc2 62a_100000765856_100000089043 [1,1,0,0,0,0|2,0,0]=4 3293 B17R2.3956 Cc1cnccc1NCCc2ccccc2 27a_100000106460_100000765111 [1,1,0,0,0,0|2,0,0]=4 3294 B17R2.3956 Cc1cncnc1NCCc2ccccc2 27a_100000106460_100011998708 [1,1,0,0,0,0|1,0,0]=3 3295 B17R2.3956 Cc1cncnc1NCCc2ccccn2 27a_100000211156_100011998708 [1,1,0,0,0,0|2,0,0]=4 3296 B17R2.3956 Cc1cncnc1NCCc2cccnc2 27a_100000736294_100011998708 [1,1,0,0,0,0|2,0,0]=4 3297 B17R2.3956 Cc1cncnc1NCCc2ccncc2 27a_100000742849_100011998708 [1,1,0,0,0,0|2,0,0]=4 3298 B17R2.3956 Cc1cncnc1SCCc2ccccc2 62a_100000765856_100011998708 [1,1,0,0,0,0|2,0,0]=4 3299 B17R2.3956 Cc1cncnc1SCCc2ccccc2 62a_100011998708_100011218657 [1,1,0,0,0,0|2,0,0]=4 3300 B17R2.3956 Cc1nccnc1NCCc2ccccc2 27a_100000106460_100011999405 [1,1,0,0,0,0|1,0,0]=3 3301 B17R2.3956 Cc1nccnc1NCCc2ccccn2 27a_100000211156_100011999405 [1,1,0,0,0,0|2,0,0]=4 3302 B17R2.3956 Cc1nccnc1NCCc2cccnc2 27a_100000736294_100011999405 [1,1,0,0,0,0|2,0,0]=4 3303 B17R2.3956 Cc1nccnc1NCCc2ccncc2 27a_100000742849_100011999405 [1,1,0,0,0,0|2,0,0]=4 3304 B17R2.3956 Cc1nccnc1OCCc2ccccc2 34a_100000766352_100000765856 [1,1,0,0,0,0|2,0,0]=4 3305 B17R2.3956 Cc1nccnc1SCCc2ccccc2 62a_100000765856_100011999405 [1,1,0,0,0,0|2,0,0]=4 3306 B17R2.3956 Cc1nccnc1SCCc2ccccc2 62a_100011999405_100011218657 [1,1,0,0,0,0|2,0,0]=4 3307 B17R2.3956 Clc1ccccc1C=NNc2ccccn2 4a_100000183288_100000210073 [1,1,0,0,0,0|1,0,1]=4 3308 B17R2.3956 Clc1ccccc1CCNc2ccccc2 34a_100000106764_100011713703 [1,1,0,0,0,0|1,0,0]=3 3309 B17R2.3956 Clc1ccccc1CCNc2cccnn2 27a_100011207228_100016991348 [1,1,0,0,0,0|1,0,0]=3 3310 B17R2.3956 Clc1ccccc1CCNc2ccncn2 27a_100011207228_100000703185 [1,1,0,0,0,0|1,0,0]=3 3311 B17R2.3956 Clc1ccccc1CCNc2cnccn2 27a_100011207228_100000211759 [1,1,0,0,0,0|1,0,0]=3 3312 B17R2.3956 Clc1ccccc1CCNc2ncccn2 27a_100011207228_100000211032 [1,1,0,0,0,0|1,0,0]=3 3313 B17R2.3956 Clc1ccccc1CCOc2ccccc2 34a_100000210340_100011713703 [1,1,0,0,0,0|2,0,0]=4 3314 B17R2.3956 Clc1ccccc1CCOc2ccccc2 7a_100000210340_100011713703 [1,1,0,0,0,0|2,0,0]=4 3315 B17R2.3956 Clc1ccccc1CCSc2ccccc2 62a_100000719477_100011713703 [1,1,0,0,0,0|2,0,0]=4 3316 B17R2.3956 Clc1ccccc1CCSc2ccccc2 62a_100011713703_100000041952 [1,1,0,0,0,0|2,0,0]=4 3317 B17R2.3956 Clc1ccccc1CCSc2ccccn2 62a_100011216584_100011713703 [1,1,0,0,0,0|1,0,0]=3 3318 B17R2.3956 Clc1ccccc1CCSc2ccccn2 62a_100011713703_100011216584 [1,1,0,0,0,0|1,0,0]=3 3319 B17R2.3956 Clc1ccccc1CCSc2cccnn2 62a_100011713703_100016991348 [1,1,0,0,0,0|2,0,0]=4 3320 B17R2.3956 Clc1ccccc1CCSc2cccnn2 62a_100016991348_100011713703 [1,1,0,0,0,0|2,0,0]=4 3321 B17R2.3956 Clc1ccccc1CCSc2ccncn2 62a_100000703185_100011713703 [1,1,0,0,0,0|2,0,0]=4 3322 B17R2.3956 Clc1ccccc1CCSc2ccncn2 62a_100011713703_100000703185 [1,1,0,0,0,0|2,0,0]=4 3323 B17R2.3956 Clc1ccccc1CCSc2cnccn2 62a_100000211759_100011713703 [1,1,0,0,0,0|2,0,0]=4 3324 B17R2.3956 Clc1ccccc1CCSc2cnccn2 62a_100011713703_100000211759 [1,1,0,0,0,0|2,0,0]=4 3325 B17R2.3956 Clc1ccccc1CCSc2ncccn2 62a_100000211032_100011713703 [1,1,0,0,0,0|2,0,0]=4 3326 B17R2.3956 Clc1ccccc1CCSc2ncccn2 62a_100011713703_100000211032 [1,1,0,0,0,0|2,0,0]=4 3327 B17R2.3956 Clc1ccccc1CNCc2ccccn2 207a_100000174879_100000209966 [1,1,0,0,0,0|2,0,0]=4 3328 B17R2.3956 Clc1ccccc1CNCc2ccccn2 2230a_100000174879_100000721315 [1,1,0,0,0,0|2,0,0]=4 3329 B17R2.3956 Clc1ccccc1CNCc2ccccn2 270004a_100000174879_100000209966 [1,1,0,0,0,0|2,0,0]=4 3330 B17R2.3956 Clc1ccccc1CNCc2ccccn2 270004a_100000210449_100000210073 [1,1,0,0,0,0|2,0,0]=4 3331 B17R2.3956 Clc1ccccc1CNCc2ccccn2 34a_100000174879_100000721315 [1,1,0,0,0,0|2,0,0]=4 3332 B17R2.3956 Clc1ccccc1COCc2ccccn2 34a_100000210847_100000721315 [1,1,0,0,0,0|2,0,0]=4 3333 B17R2.3956 Clc1ccccc1COCc2ccccn2 7a_100000210847_100000721315 [1,1,0,0,0,0|2,0,0]=4 3334 B17R2.3956 Clc1ccccc1CSCc2ccccn2 62a_100000187162_100000721315 [1,1,0,0,0,0|2,0,0]=4 3335 B17R2.3956 Clc1ccccc1CSCc2ccccn2 62a_100000721315_100000187162 [1,1,0,0,0,0|2,0,0]=4 3336 B17R2.3956 Clc1ccccc1NCCc2ccccc2 34a_100000185783_100000765856 [1,1,0,0,0,0|1,0,0]=3 3337 B17R2.3956 Clc1ccccc1OCCc2ccccc2 34a_100000210172_100000765856 [1,1,0,0,0,0|2,0,0]=4 3338 B17R2.3956 Clc1ccccc1OCCc2ccccc2 7a_100000210172_100000765856 [1,1,0,0,0,0|2,0,0]=4 3339 B17R2.3956 Clc1ccccc1OCCc2ccccn2 7a_100000210172_100015183660 [1,1,0,0,0,0|2,0,0]=4 3340 B17R2.3956 Clc1ccccc1SCCc2ccccc2 62a_100000764095_100011218657 [1,1,0,0,0,0|2,0,0]=4 3341 B17R2.3956 Clc1ccccc1SCCc2ccccc2 62a_100000765856_100000764095 [1,1,0,0,0,0|2,0,0]=4 3342 B17R2.3956 Clc1ccccc1SCCc2ccccn2 62a_100000764095_100015183660 [1,1,0,0,0,0|2,0,0]=4 3343 B17R2.3956 Clc1ccccc1SCCc2ccccn2 62a_100015183660_100000764095 [1,1,0,0,0,0|2,0,0]=4 3344 B17R2.3956 Clc1cccnc1C=CCc2ccccc2 271570a_200016263579_100011356963 [1,1,0,0,0,0|1,0,1]=4 3345 B17R2.3956 Clc1cccnc1CNCc2ccccc2 207a_100015324214_100012001307 [1,1,0,0,0,0|2,0,0]=4 3346 B17R2.3956 Clc1cccnc1CNCc2ccccc2 2230a_100015189233_100015291786 [1,1,0,0,0,0|2,0,0]=4 3347 B17R2.3956 Clc1cccnc1CNCc2ccccc2 2230a_100015324214_100000099807 [1,1,0,0,0,0|2,0,0]=4 3348 B17R2.3956 Clc1cccnc1CNCc2ccccc2 270004a_100015189233_100015611070 [1,1,0,0,0,0|2,0,0]=4 3349 B17R2.3956 Clc1cccnc1CNCc2ccccc2 270004a_100015324214_100012001307 [1,1,0,0,0,0|2,0,0]=4 3350 B17R2.3956 Clc1cccnc1COCc2ccccc2 34a_100012002383_100015291786 [1,1,0,0,0,0|2,0,0]=4 3351 B17R2.3956 Clc1cccnc1COCc2ccccc2 7a_100000210790_100000099807 [1,1,0,0,0,0|2,0,0]=4 3352 B17R2.3956 Clc1cccnc1CSCc2ccccc2 62a_100000099807_100015291786 [1,1,0,0,0,0|2,0,0]=4 3353 B17R2.3956 Clc1cccnc1CSCc2ccccc2 62a_100000211182_100000099807 [1,1,0,0,0,0|2,0,0]=4 3354 B17R2.3956 Clc1cccnc1NN=Cc2ccccc2 4a_100000741667_100015611070 [1,1,0,0,0,0|1,0,1]=4 3355 B17R2.3956 Clc1cccnc1OCCc2ccccc2 34a_100011290957_100000765856 [1,1,0,0,0,0|1,0,0]=3 3356 B17R2.3956 Clc1cccnc1SCCc2ccccc2 62a_100000765856_100011356963 [1,1,0,0,0,0|1,0,0]=3 3357 B17R2.3956 Clc1cccnc1SCCc2ccccc2 62a_100011356963_100011218657 [1,1,0,0,0,0|1,0,0]=3 3358 B17R2.3956 Clc1cccnc1SCCc2ccccn2 62a_100011356963_100015183660 [1,1,0,0,0,0|2,0,0]=4 3359 B17R2.3956 Clc1cccnc1SCCc2ccccn2 62a_100015183660_100011356963 [1,1,0,0,0,0|2,0,0]=4 3360 B17R2.3956 Clc1cccnc1SCCc2cccnc2 62a_100011356963_200011713674 [1,1,0,0,0,0|2,0,0]=4 3361 B17R2.3956 Clc1cccnc1SCCc2cccnc2 62a_200011713674_100011356963 [1,1,0,0,0,0|2,0,0]=4 3362 B17R2.3956 Clc1cccnc1SCCc2ccncc2 62a_100000723409_100011356963 [1,1,0,0,0,0|2,0,0]=4 3363 B17R2.3956 Clc1cccnc1SCCc2ccncc2 62a_100011356963_100000723409 [1,1,0,0,0,0|2,0,0]=4 3364 B17R2.3956 Clc1cccnc1SCSc2ccccc2 62a_100011218342_100011356963 [1,1,0,0,0,0|2,0,0]=4 3365 B17R2.3956 Clc1cccnc1SCSc2ccccc2 62a_100011356963_100011218342 [1,1,0,0,0,0|2,0,0]=4 3366 B17R2.3956 Clc1nccnc1SCCc2ccccc2 62a_100000765856_100010886584 [1,1,0,0,0,0|2,0,0]=4 3367 B17R2.3956 Clc1nccnc1SCCc2ccccc2 62a_100010886584_100011218657 [1,1,0,0,0,0|2,0,0]=4 3368 B17R2.3956 Fc1ccccc1C=NNc2ccccn2 4a_100000183288_100000210811 [1,1,0,0,0,0|1,0,1]=4 3369 B17R2.3956 Fc1ccccc1CCNc2ccccc2 34a_100000106764_100000720011 [1,1,0,0,0,0|1,0,0]=3 3370 B17R2.3956 Fc1ccccc1CCNc2cccnn2 27a_100000185272_100016991348 [1,1,0,0,0,0|1,0,0]=3 3371 B17R2.3956 Fc1ccccc1CCNc2ccncn2 27a_100000185272_100000703185 [1,1,0,0,0,0|1,0,0]=3 3372 B17R2.3956 Fc1ccccc1CCNc2cnccn2 27a_100000185272_100000211759 [1,1,0,0,0,0|1,0,0]=3 3373 B17R2.3956 Fc1ccccc1CCNc2ncccn2 27a_100000185272_100000211032 [1,1,0,0,0,0|1,0,0]=3 3374 B17R2.3956 Fc1ccccc1CCOc2ccccc2 34a_100000210340_100000720011 [1,1,0,0,0,0|2,0,0]=4 3375 B17R2.3956 Fc1ccccc1CCOc2ccccc2 7a_100000210340_100000720011 [1,1,0,0,0,0|2,0,0]=4 3376 B17R2.3956 Fc1ccccc1CCSc2ccccc2 62a_100000719477_100011713696 [1,1,0,0,0,0|2,0,0]=4 3377 B17R2.3956 Fc1ccccc1CCSc2ccccc2 62a_100011713696_100000041952 [1,1,0,0,0,0|2,0,0]=4 3378 B17R2.3956 Fc1ccccc1CCSc2ccccn2 62a_100011216584_100011713696 [1,1,0,0,0,0|1,0,0]=3 3379 B17R2.3956 Fc1ccccc1CCSc2ccccn2 62a_100011713696_100011216584 [1,1,0,0,0,0|1,0,0]=3 3380 B17R2.3956 Fc1ccccc1CCSc2cccnn2 62a_100011713696_100016991348 [1,1,0,0,0,0|2,0,0]=4 3381 B17R2.3956 Fc1ccccc1CCSc2cccnn2 62a_100016991348_100011713696 [1,1,0,0,0,0|2,0,0]=4 3382 B17R2.3956 Fc1ccccc1CCSc2ccncn2 62a_100000703185_100011713696 [1,1,0,0,0,0|2,0,0]=4 3383 B17R2.3956 Fc1ccccc1CCSc2ccncn2 62a_100011713696_100000703185 [1,1,0,0,0,0|2,0,0]=4 3384 B17R2.3956 Fc1ccccc1CCSc2cnccn2 62a_100000211759_100011713696 [1,1,0,0,0,0|2,0,0]=4 3385 B17R2.3956 Fc1ccccc1CCSc2cnccn2 62a_100011713696_100000211759 [1,1,0,0,0,0|2,0,0]=4 3386 B17R2.3956 Fc1ccccc1CCSc2ncccn2 62a_100000211032_100011713696 [1,1,0,0,0,0|2,0,0]=4 3387 B17R2.3956 Fc1ccccc1CCSc2ncccn2 62a_100011713696_100000211032 [1,1,0,0,0,0|2,0,0]=4 3388 B17R2.3956 Fc1ccccc1CNCc2ccccn2 207a_100000174869_100000209966 [1,1,0,0,0,0|2,0,0]=4 3389 B17R2.3956 Fc1ccccc1CNCc2ccccn2 270004a_100000174869_100000209966 [1,1,0,0,0,0|2,0,0]=4 3390 B17R2.3956 Fc1ccccc1CNCc2ccccn2 270004a_100000210449_100000210811 [1,1,0,0,0,0|2,0,0]=4 3391 B17R2.3956 Fc1ccccc1CNCc2ccccn2 34a_100000174869_100000721315 [1,1,0,0,0,0|2,0,0]=4 3392 B17R2.3956 Fc1ccccc1COCc2ccccn2 34a_100000211962_100000721315 [1,1,0,0,0,0|2,0,0]=4 3393 B17R2.3956 Fc1ccccc1COCc2ccccn2 7a_100000211962_100000721315 [1,1,0,0,0,0|2,0,0]=4 3394 B17R2.3956 Fc1ccccc1CSCc2ccccn2 62a_100000211605_100000721315 [1,1,0,0,0,0|2,0,0]=4 3395 B17R2.3956 Fc1ccccc1CSCc2ccccn2 62a_100000721315_100000211605 [1,1,0,0,0,0|2,0,0]=4 3396 B17R2.3956 Fc1ccccc1NCCc2ccccc2 34a_100000210422_100000765856 [1,1,0,0,0,0|1,0,0]=3 3397 B17R2.3956 Fc1ccccc1OCCc2ccccc2 34a_100000210171_100000765856 [1,1,0,0,0,0|2,0,0]=4 3398 B17R2.3956 Fc1ccccc1OCCc2ccccc2 7a_100000210171_100000765856 [1,1,0,0,0,0|2,0,0]=4 3399 B17R2.3956 Fc1ccccc1OCCc2ccccn2 7a_100000210171_100015183660 [1,1,0,0,0,0|2,0,0]=4 3400 B17R2.3956 Fc1ccccc1SCCc2ccccc2 62a_100000765856_100011215700 [1,1,0,0,0,0|2,0,0]=4 3401 B17R2.3956 Fc1ccccc1SCCc2ccccc2 62a_100011215700_100011218657 [1,1,0,0,0,0|2,0,0]=4 3402 B17R2.3956 Fc1ccccc1SCCc2ccccn2 62a_100011215700_100015183660 [1,1,0,0,0,0|2,0,0]=4 3403 B17R2.3956 Fc1ccccc1SCCc2ccccn2 62a_100015183660_100011215700 [1,1,0,0,0,0|2,0,0]=4 3404 B17R2.3956 Fc1cccnc1C=CCc2ccccc2 271570a_200016263579_100000685392 [1,1,0,0,0,0|1,0,1]=4 3405 B17R2.3956 Fc1cccnc1CNCc2ccccc2 207a_100015324214_100011934734 [1,1,0,0,0,0|2,0,0]=4 3406 B17R2.3956 Fc1cccnc1CNCc2ccccc2 2230a_100015324214_100000104219 [1,1,0,0,0,0|2,0,0]=4 3407 B17R2.3956 Fc1cccnc1CNCc2ccccc2 270004a_100000690088_100015611070 [1,1,0,0,0,0|2,0,0]=4 3408 B17R2.3956 Fc1cccnc1CNCc2ccccc2 270004a_100015324214_100011934734 [1,1,0,0,0,0|2,0,0]=4 3409 B17R2.3956 Fc1cccnc1CNCc2ccccc2 34a_100000690088_100015291786 [1,1,0,0,0,0|2,0,0]=4 3410 B17R2.3956 Fc1cccnc1CNCc2ccccc2 34a_100015324214_100000104219 [1,1,0,0,0,0|2,0,0]=4 3411 B17R2.3956 Fc1cccnc1COCc2ccccc2 34a_100000210790_100000104219 [1,1,0,0,0,0|2,0,0]=4 3412 B17R2.3956 Fc1cccnc1COCc2ccccc2 34a_100011934865_100015291786 [1,1,0,0,0,0|2,0,0]=4 3413 B17R2.3956 Fc1cccnc1COCc2ccccc2 7a_100000210790_100000104219 [1,1,0,0,0,0|2,0,0]=4 3414 B17R2.3956 Fc1cccnc1CSCc2ccccc2 62a_100000104219_100015291786 [1,1,0,0,0,0|2,0,0]=4 3415 B17R2.3956 Fc1cccnc1CSCc2ccccc2 62a_100000211182_100000104219 [1,1,0,0,0,0|2,0,0]=4 3416 B17R2.3956 Fc1cccnc1NN=Cc2ccccc2 4a_100000717775_100015611070 [1,1,0,0,0,0|1,0,1]=4 3417 B17R2.3956 Fc1cccnc1OCCc2ccccc2 34a_100011219419_100000765856 [1,1,0,0,0,0|1,0,0]=3 3418 B17R2.3956 Fc1cccnc1SCCc2ccccc2 62a_100000685392_100011218657 [1,1,0,0,0,0|1,0,0]=3 3419 B17R2.3956 Fc1cccnc1SCCc2ccccc2 62a_100000765856_100000685392 [1,1,0,0,0,0|1,0,0]=3 3420 B17R2.3956 Fc1cccnc1SCCc2ccccn2 62a_100000685392_100015183660 [1,1,0,0,0,0|2,0,0]=4 3421 B17R2.3956 Fc1cccnc1SCCc2ccccn2 62a_100015183660_100000685392 [1,1,0,0,0,0|2,0,0]=4 3422 B17R2.3956 Fc1cccnc1SCCc2cccnc2 62a_100000685392_200011713674 [1,1,0,0,0,0|2,0,0]=4 3423 B17R2.3956 Fc1cccnc1SCCc2cccnc2 62a_200011713674_100000685392 [1,1,0,0,0,0|2,0,0]=4 3424 B17R2.3956 Fc1cccnc1SCCc2ccncc2 62a_100000685392_100000723409 [1,1,0,0,0,0|2,0,0]=4 3425 B17R2.3956 Fc1cccnc1SCCc2ccncc2 62a_100000723409_100000685392 [1,1,0,0,0,0|2,0,0]=4 3426 B17R2.3956 Fc1cccnc1SCSc2ccccc2 62a_100000685392_100011218342 [1,1,0,0,0,0|2,0,0]=4 3427 B17R2.3956 Fc1cccnc1SCSc2ccccc2 62a_100011218342_100000685392 [1,1,0,0,0,0|2,0,0]=4 3428 B17R2.3956 Fc1cnccc1NCCc2ccccc2 27a_100000106460_100000035921 [1,1,0,0,0,0|2,0,0]=4 3429 B17R2.3956 Fc1cncnc1NCCc2ccccc2 27a_100000106460_100000069762 [1,1,0,0,0,0|1,0,0]=3 3430 B17R2.3956 Fc1cncnc1NCCc2ccccn2 27a_100000211156_100000069762 [1,1,0,0,0,0|2,0,0]=4 3431 B17R2.3956 Fc1cncnc1NCCc2cccnc2 27a_100000736294_100000069762 [1,1,0,0,0,0|2,0,0]=4 3432 B17R2.3956 Fc1cncnc1NCCc2ccncc2 27a_100000742849_100000069762 [1,1,0,0,0,0|2,0,0]=4 3433 B17R2.3956 Fc1cncnc1SCCc2ccccc2 62a_100000069762_100011218657 [1,1,0,0,0,0|2,0,0]=4 3434 B17R2.3956 Fc1cncnc1SCCc2ccccc2 62a_100000765856_100000069762 [1,1,0,0,0,0|2,0,0]=4 3435 B17R2.3956 Fc1nccnc1NCCc2ccccc2 27a_100000106460_200010125657 [1,1,0,0,0,0|1,0,0]=3 3436 B17R2.3956 Fc1nccnc1NCCc2ccccn2 27a_100000211156_200010125657 [1,1,0,0,0,0|2,0,0]=4 3437 B17R2.3956 Fc1nccnc1NCCc2cccnc2 27a_100000736294_200010125657 [1,1,0,0,0,0|2,0,0]=4 3438 B17R2.3956 Fc1nccnc1NCCc2ccncc2 27a_100000742849_200010125657 [1,1,0,0,0,0|2,0,0]=4 3439 B17R2.3956 Fc1nccnc1SCCc2ccccc2 62a_100000765856_200010125657 [1,1,0,0,0,0|2,0,0]=4 3440 B17R2.3956 Fc1nccnc1SCCc2ccccc2 62a_200010125657_100011218657 [1,1,0,0,0,0|2,0,0]=4 3441 B17R2.3956 Ic1ccccc1C=NNc2ccccn2 4a_100000183288_100000010305 [1,1,0,0,0,0|1,0,1]=4 3442 B17R2.3956 Ic1ccccc1CNCc2ccccn2 207a_100015347259_100000209966 [1,1,0,0,0,0|2,0,0]=4 3443 B17R2.3956 Ic1ccccc1CNCc2ccccn2 270004a_100000210449_100000010305 [1,1,0,0,0,0|2,0,0]=4 3444 B17R2.3956 Ic1ccccc1CNCc2ccccn2 270004a_100015347259_100000209966 [1,1,0,0,0,0|2,0,0]=4 3445 B17R2.3956 Ic1ccccc1COCc2ccccn2 34a_100000187465_100000721315 [1,1,0,0,0,0|2,0,0]=4 3446 B17R2.3956 Ic1ccccc1COCc2ccccn2 7a_100000187465_100000721315 [1,1,0,0,0,0|2,0,0]=4 3447 B17R2.3956 Ic1ccccc1CSCc2ccccn2 62a_100000721315_100011216222 [1,1,0,0,0,0|2,0,0]=4 3448 B17R2.3956 Ic1ccccc1CSCc2ccccn2 62a_100011216222_100000721315 [1,1,0,0,0,0|2,0,0]=4 3449 B17R2.3956 Ic1ccccc1NCCc2ccccc2 34a_100000210053_100000765856 [1,1,0,0,0,0|1,0,0]=3 3450 B17R2.3956 Ic1ccccc1OCCc2ccccc2 34a_100000739446_100000765856 [1,1,0,0,0,0|2,0,0]=4 3451 B17R2.3956 Ic1ccccc1OCCc2ccccc2 7a_100000739446_100000765856 [1,1,0,0,0,0|2,0,0]=4 3452 B17R2.3956 Ic1ccccc1OCCc2ccccn2 7a_100000739446_100015183660 [1,1,0,0,0,0|2,0,0]=4 3453 B17R2.3956 Ic1cccnc1NN=Cc2ccccc2 4a_100010221029_100015611070 [1,1,0,0,0,0|1,0,1]=4 3454 B17R2.3956 Nc1ccccc1COCc2ccccn2 34a_100000212039_100000721315 [1,1,0,0,0,0|2,0,0]=4 3455 B17R2.3956 Nc1ccccc1OCCc2ccccc2 34a_100000185747_100000765856 [1,1,0,0,0,0|2,0,0]=4 3456 B17R2.3956 Nc1ccccc1OCCc2ccccc2 7a_100000185747_100000765856 [1,1,0,0,0,0|2,0,0]=4 3457 B17R2.3956 Nc1ccccc1OCCc2ccccn2 7a_100000185747_100015183660 [1,1,0,0,0,0|2,0,0]=4 3458 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000210017_100011218657 [1,1,0,0,0,0|2,0,0]=4 3459 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000765856_100000210017 [1,1,0,0,0,0|2,0,0]=4 3460 B17R2.3956 Nc1ccccc1SCCc2ccccn2 62a_100000210017_100015183660 [1,1,0,0,0,0|2,0,0]=4 3461 B17R2.3956 Nc1ccccc1SCCc2ccccn2 62a_100015183660_100000210017 [1,1,0,0,0,0|2,0,0]=4 3462 B17R2.3956 Nc1cccnc1C=CCc2ccccc2 271570a_200016263579_100000688686 [1,1,0,0,0,0|1,0,1]=4 3463 B17R2.3956 Nc1cccnc1COCc2ccccc2 34a_114873767017_100015291786 [1,1,0,0,0,0|2,0,0]=4 3464 B17R2.3956 Nc1cccnc1OCCc2ccccc2 34a_100000746358_100000765856 [1,1,0,0,0,0|1,0,0]=3 3465 B17R2.3956 Nc1cccnc1SCCc2ccccc2 62a_100000688686_100011218657 [1,1,0,0,0,0|1,0,0]=3 3466 B17R2.3956 Nc1cccnc1SCCc2ccccc2 62a_100000765856_100000688686 [1,1,0,0,0,0|1,0,0]=3 3467 B17R2.3956 Nc1cccnc1SCCc2ccccn2 62a_100000688686_100015183660 [1,1,0,0,0,0|2,0,0]=4 3468 B17R2.3956 Nc1cccnc1SCCc2ccccn2 62a_100015183660_100000688686 [1,1,0,0,0,0|2,0,0]=4 3469 B17R2.3956 Nc1cccnc1SCCc2cccnc2 62a_100000688686_200011713674 [1,1,0,0,0,0|2,0,0]=4 3470 B17R2.3956 Nc1cccnc1SCCc2cccnc2 62a_200011713674_100000688686 [1,1,0,0,0,0|2,0,0]=4 3471 B17R2.3956 Nc1cccnc1SCCc2ccncc2 62a_100000688686_100000723409 [1,1,0,0,0,0|2,0,0]=4 3472 B17R2.3956 Nc1cccnc1SCCc2ccncc2 62a_100000723409_100000688686 [1,1,0,0,0,0|2,0,0]=4 3473 B17R2.3956 Nc1cccnc1SCSc2ccccc2 62a_100000688686_100011218342 [1,1,0,0,0,0|2,0,0]=4 3474 B17R2.3956 Nc1cccnc1SCSc2ccccc2 62a_100011218342_100000688686 [1,1,0,0,0,0|2,0,0]=4 3475 B17R2.3956 Nc1cncnc1NCCc2ccccc2 27a_100000106460_100000709731 [1,1,0,0,0,0|1,0,0]=3 3476 B17R2.3956 Nc1cncnc1NCCc2ccccn2 27a_100000211156_100000709731 [1,1,0,0,0,0|2,0,0]=4 3477 B17R2.3956 Nc1cncnc1NCCc2cccnc2 27a_100000736294_100000709731 [1,1,0,0,0,0|2,0,0]=4 3478 B17R2.3956 Nc1cncnc1NCCc2ccncc2 27a_100000742849_100000709731 [1,1,0,0,0,0|2,0,0]=4 3479 B17R2.3956 Nc1cncnc1SCCc2ccccc2 62a_100000709731_100011218657 [1,1,0,0,0,0|2,0,0]=4 3480 B17R2.3956 Nc1cncnc1SCCc2ccccc2 62a_100000765856_100000709731 [1,1,0,0,0,0|2,0,0]=4 3481 B17R2.3956 Nc1nccnc1SCCc2ccccc2 62a_100000747729_100011218657 [1,1,0,0,0,0|2,0,0]=4 3482 B17R2.3956 Nc1nccnc1SCCc2ccccc2 62a_100000765856_100000747729 [1,1,0,0,0,0|2,0,0]=4 3483 B17R2.3956 O=c1[nH]ccnc1SCCc2ccccc2 62a_100000765856_100000763361 [1,1,0,0,0,0|2,0,0]=4 3484 B17R2.3956 O=c1ccccn1CCNc2cccnn2 27a_100000687133_100016991348 [1,1,0,0,0,0|2,0,0]=4 3485 B17R2.3956 O=c1ccccn1CCNc2ccncn2 27a_100000687133_100000703185 [1,1,0,0,0,0|2,0,0]=4 3486 B17R2.3956 O=c1ccccn1CCNc2cnccn2 27a_100000687133_100000211759 [1,1,0,0,0,0|2,0,0]=4 3487 B17R2.3956 O=c1ccccn1CCNc2ncccn2 27a_100000687133_100000211032 [1,1,0,0,0,0|2,0,0]=4 3488 B17R2.3956 Oc1ccccc1C=NNc2ccccn2 4a_100000183288_100000185834 [1,1,0,0,0,0|1,0,1]=4 3489 B17R2.3956 Oc1ccccc1CCNc2ccccc2 34a_100000106764_100000722297 [1,1,0,0,0,0|1,0,0]=3 3490 B17R2.3956 Oc1ccccc1CCNc2cccnn2 27a_100011207237_100016991348 [1,1,0,0,0,0|1,0,0]=3 3491 B17R2.3956 Oc1ccccc1CCNc2ccncn2 27a_100011207237_100000703185 [1,1,0,0,0,0|1,0,0]=3 3492 B17R2.3956 Oc1ccccc1CCNc2cnccn2 27a_100011207237_100000211759 [1,1,0,0,0,0|1,0,0]=3 3493 B17R2.3956 Oc1ccccc1CCNc2ncccn2 27a_100011207237_100000211032 [1,1,0,0,0,0|1,0,0]=3 3494 B17R2.3956 Oc1ccccc1CCOc2ccccc2 34a_100000210340_100000722297 [1,1,0,0,0,0|2,0,0]=4 3495 B17R2.3956 Oc1ccccc1CCOc2ccccc2 7a_100000210340_100000722297 [1,1,0,0,0,0|2,0,0]=4 3496 B17R2.3956 Oc1ccccc1CCSc2ccccc2 62a_100000719477_100000722297 [1,1,0,0,0,0|2,0,0]=4 3497 B17R2.3956 Oc1ccccc1CCSc2ccccc2 62a_100000722297_100000041952 [1,1,0,0,0,0|2,0,0]=4 3498 B17R2.3956 Oc1ccccc1CCSc2ccccn2 62a_100000722297_100011216584 [1,1,0,0,0,0|1,0,0]=3 3499 B17R2.3956 Oc1ccccc1CCSc2ccccn2 62a_100011216584_100000722297 [1,1,0,0,0,0|1,0,0]=3 3500 B17R2.3956 Oc1ccccc1CCSc2cccnn2 62a_100000722297_100016991348 [1,1,0,0,0,0|2,0,0]=4 3501 B17R2.3956 Oc1ccccc1CCSc2cccnn2 62a_100016991348_100000722297 [1,1,0,0,0,0|2,0,0]=4 3502 B17R2.3956 Oc1ccccc1CCSc2ccncn2 62a_100000703185_100000722297 [1,1,0,0,0,0|2,0,0]=4 3503 B17R2.3956 Oc1ccccc1CCSc2ccncn2 62a_100000722297_100000703185 [1,1,0,0,0,0|2,0,0]=4 3504 B17R2.3956 Oc1ccccc1CCSc2cnccn2 62a_100000211759_100000722297 [1,1,0,0,0,0|2,0,0]=4 3505 B17R2.3956 Oc1ccccc1CCSc2cnccn2 62a_100000722297_100000211759 [1,1,0,0,0,0|2,0,0]=4 3506 B17R2.3956 Oc1ccccc1CCSc2ncccn2 62a_100000211032_100000722297 [1,1,0,0,0,0|2,0,0]=4 3507 B17R2.3956 Oc1ccccc1CCSc2ncccn2 62a_100000722297_100000211032 [1,1,0,0,0,0|2,0,0]=4 3508 B17R2.3956 Oc1ccccc1CNCc2ccccn2 207a_100000185550_100000209966 [1,1,0,0,0,0|2,0,0]=4 3509 B17R2.3956 Oc1ccccc1CNCc2ccccn2 270004a_100000185550_100000209966 [1,1,0,0,0,0|2,0,0]=4 3510 B17R2.3956 Oc1ccccc1CNCc2ccccn2 34a_100000185550_100000721315 [1,1,0,0,0,0|2,0,0]=4 3511 B17R2.3956 Oc1ccccc1NCCc2ccccc2 34a_100000185747_100000765856 [1,1,0,0,0,0|1,0,0]=3 3512 B17R2.3956 Oc1ccccc1SCCc2ccccc2 62a_100000739446_100011218657 [1,1,0,0,0,0|2,0,0]=4 3513 B17R2.3956 Oc1ccccc1SCCc2ccccc2 62a_100000765856_100000739446 [1,1,0,0,0,0|2,0,0]=4 3514 B17R2.3956 Oc1ccccc1SCCc2ccccn2 62a_100000739446_100015183660 [1,1,0,0,0,0|2,0,0]=4 3515 B17R2.3956 Oc1ccccc1SCCc2ccccn2 62a_100015183660_100000739446 [1,1,0,0,0,0|2,0,0]=4 3516 B17R2.3956 Oc1cccnc1C=CCc2ccccc2 271570a_200016263579_100000034122 [1,1,0,0,0,0|1,0,1]=4 3517 B17R2.3956 Oc1cccnc1CNCc2ccccc2 34a_100015324214_200020655725 [1,1,0,0,0,0|2,0,0]=4 3518 B17R2.3956 Oc1cccnc1COCc2ccccc2 34a_100000210790_200020655725 [1,1,0,0,0,0|2,0,0]=4 3519 B17R2.3956 Oc1cccnc1COCc2ccccc2 7a_100000210790_200020655725 [1,1,0,0,0,0|2,0,0]=4 3520 B17R2.3956 Oc1cccnc1CSCc2ccccc2 62a_100000211182_200020655725 [1,1,0,0,0,0|2,0,0]=4 3521 B17R2.3956 Oc1cccnc1CSCc2ccccc2 62a_200020655725_100015291786 [1,1,0,0,0,0|2,0,0]=4 3522 B17R2.3956 Oc1cccnc1SCCc2ccccc2 62a_100000034122_100011218657 [1,1,0,0,0,0|1,0,0]=3 3523 B17R2.3956 Oc1cccnc1SCCc2ccccc2 62a_100000765856_100000034122 [1,1,0,0,0,0|1,0,0]=3 3524 B17R2.3956 Oc1cccnc1SCCc2ccccn2 62a_100000034122_100015183660 [1,1,0,0,0,0|2,0,0]=4 3525 B17R2.3956 Oc1cccnc1SCCc2ccccn2 62a_100015183660_100000034122 [1,1,0,0,0,0|2,0,0]=4 3526 B17R2.3956 Oc1cccnc1SCCc2cccnc2 62a_100000034122_200011713674 [1,1,0,0,0,0|2,0,0]=4 3527 B17R2.3956 Oc1cccnc1SCCc2cccnc2 62a_200011713674_100000034122 [1,1,0,0,0,0|2,0,0]=4 3528 B17R2.3956 Oc1cccnc1SCCc2ccncc2 62a_100000034122_100000723409 [1,1,0,0,0,0|2,0,0]=4 3529 B17R2.3956 Oc1cccnc1SCCc2ccncc2 62a_100000723409_100000034122 [1,1,0,0,0,0|2,0,0]=4 3530 B17R2.3956 Oc1cccnc1SCSc2ccccc2 62a_100000034122_100011218342 [1,1,0,0,0,0|2,0,0]=4 3531 B17R2.3956 Oc1cccnc1SCSc2ccccc2 62a_100011218342_100000034122 [1,1,0,0,0,0|2,0,0]=4 3532 B17R2.3956 [O-][n+]1ccccc1OCCc2ccccc2 7a_100000211761_100000765856 [1,1,0,0,0,0|1,0,1]=4 3533 B17R2.3956 [O-][n+]1ccccc1SCCc2ccccc2 62a_100000765856_200000042595 [1,1,0,0,0,0|1,0,1]=4 3534 B17R2.5301 Brc1cccc(c1)C=NNc2ccccn2 4a_100000183288_100000210085 [1,1,0,0,0,0|1,0,1]=4 3535 B17R2.5301 Brc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011740638 [1,1,0,0,0,0|1,0,0]=3 3536 B17R2.5301 Brc1cccc(c1)CCNc2cccnn2 27a_100011207229_100016991348 [1,1,0,0,0,0|1,0,0]=3 3537 B17R2.5301 Brc1cccc(c1)CCNc2ccncn2 27a_100011207229_100000703185 [1,1,0,0,0,0|1,0,0]=3 3538 B17R2.5301 Brc1cccc(c1)CCNc2cnccn2 27a_100011207229_100000211759 [1,1,0,0,0,0|1,0,0]=3 3539 B17R2.5301 Brc1cccc(c1)CCNc2ncccn2 27a_100011207229_100000211032 [1,1,0,0,0,0|1,0,0]=3 3540 B17R2.5301 Brc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011740638 [1,1,0,0,0,0|2,0,0]=4 3541 B17R2.5301 Brc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011740638 [1,1,0,0,0,0|2,0,0]=4 3542 B17R2.5301 Brc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011740638 [1,1,0,0,0,0|2,0,0]=4 3543 B17R2.5301 Brc1cccc(c1)CCSc2ccccc2 62a_100011740638_100000041952 [1,1,0,0,0,0|2,0,0]=4 3544 B17R2.5301 Brc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011740638 [1,1,0,0,0,0|1,0,0]=3 3545 B17R2.5301 Brc1cccc(c1)CCSc2ccccn2 62a_100011740638_100011216584 [1,1,0,0,0,0|1,0,0]=3 3546 B17R2.5301 Brc1cccc(c1)CCSc2cccnn2 62a_100011740638_100016991348 [1,1,0,0,0,0|2,0,0]=4 3547 B17R2.5301 Brc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011740638 [1,1,0,0,0,0|2,0,0]=4 3548 B17R2.5301 Brc1cccc(c1)CCSc2ccncn2 62a_100000703185_100011740638 [1,1,0,0,0,0|2,0,0]=4 3549 B17R2.5301 Brc1cccc(c1)CCSc2ccncn2 62a_100011740638_100000703185 [1,1,0,0,0,0|2,0,0]=4 3550 B17R2.5301 Brc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011740638 [1,1,0,0,0,0|2,0,0]=4 3551 B17R2.5301 Brc1cccc(c1)CCSc2cnccn2 62a_100011740638_100000211759 [1,1,0,0,0,0|2,0,0]=4 3552 B17R2.5301 Brc1cccc(c1)CCSc2ncccn2 62a_100000211032_100011740638 [1,1,0,0,0,0|2,0,0]=4 3553 B17R2.5301 Brc1cccc(c1)CCSc2ncccn2 62a_100011740638_100000211032 [1,1,0,0,0,0|2,0,0]=4 3554 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 207a_100000174977_100000209966 [1,1,0,0,0,0|2,0,0]=4 3555 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 2230a_100000174977_100000721315 [1,1,0,0,0,0|2,0,0]=4 3556 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 270004a_100000174977_100000209966 [1,1,0,0,0,0|2,0,0]=4 3557 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000210085 [1,1,0,0,0,0|2,0,0]=4 3558 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 34a_100000174977_100000721315 [1,1,0,0,0,0|2,0,0]=4 3559 B17R2.5301 Brc1cccc(c1)COCc2ccccn2 34a_100000687537_100000721315 [1,1,0,0,0,0|2,0,0]=4 3560 B17R2.5301 Brc1cccc(c1)COCc2ccccn2 7a_100000687537_100000721315 [1,1,0,0,0,0|2,0,0]=4 3561 B17R2.5301 Brc1cccc(c1)CSCc2ccccn2 62a_100000211773_100000721315 [1,1,0,0,0,0|2,0,0]=4 3562 B17R2.5301 Brc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000211773 [1,1,0,0,0,0|2,0,0]=4 3563 B17R2.5301 Brc1cccc(c1)NCCc2ccccc2 34a_100000210019_100000765856 [1,1,0,0,0,0|1,0,0]=3 3564 B17R2.5301 Brc1cccc(c1)OCCc2ccccc2 34a_100000210342_100000765856 [1,1,0,0,0,0|2,0,0]=4 3565 B17R2.5301 Brc1cccc(c1)OCCc2ccccc2 7a_100000210342_100000765856 [1,1,0,0,0,0|2,0,0]=4 3566 B17R2.5301 Brc1cccc(c1)OCCc2ccccn2 7a_100000210342_100015183660 [1,1,0,0,0,0|2,0,0]=4 3567 B17R2.5301 Brc1cccc(c1)SCCc2ccccc2 62a_100000691529_100011218657 [1,1,0,0,0,0|2,0,0]=4 3568 B17R2.5301 Brc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000691529 [1,1,0,0,0,0|2,0,0]=4 3569 B17R2.5301 Brc1cccc(c1)SCCc2ccccn2 62a_100000691529_100015183660 [1,1,0,0,0,0|2,0,0]=4 3570 B17R2.5301 Brc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000691529 [1,1,0,0,0,0|2,0,0]=4 3571 B17R2.5301 Brc1cccc(n1)C=CCc2ccccc2 271570a_200016263579_100000684672 [1,1,0,0,0,0|1,0,1]=4 3572 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100009889011 [1,1,0,0,0,0|2,0,0]=4 3573 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 2230a_100016987751_100015291786 [1,1,0,0,0,0|2,0,0]=4 3574 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100000688028 [1,1,0,0,0,0|2,0,0]=4 3575 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 34a_100015324214_100009889011 [1,1,0,0,0,0|2,0,0]=4 3576 B17R2.5301 Brc1cccc(n1)COCc2ccccc2 34a_100000210790_100009889011 [1,1,0,0,0,0|2,0,0]=4 3577 B17R2.5301 Brc1cccc(n1)COCc2ccccc2 34a_100000694195_100015291786 [1,1,0,0,0,0|2,0,0]=4 3578 B17R2.5301 Brc1cccc(n1)COCc2ccccc2 7a_100000210790_100009889011 [1,1,0,0,0,0|2,0,0]=4 3579 B17R2.5301 Brc1cccc(n1)CSCc2ccccc2 62a_100000211182_100009889011 [1,1,0,0,0,0|2,0,0]=4 3580 B17R2.5301 Brc1cccc(n1)CSCc2ccccc2 62a_100009889011_100015291786 [1,1,0,0,0,0|2,0,0]=4 3581 B17R2.5301 Brc1cccc(n1)NN=Cc2ccccc2 4a_100009817029_100015611070 [1,1,0,0,0,0|1,0,1]=4 3582 B17R2.5301 Brc1cccc(n1)SCCc2ccccc2 62a_100000684672_100011218657 [1,1,0,0,0,0|1,0,0]=3 3583 B17R2.5301 Brc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000684672 [1,1,0,0,0,0|1,0,0]=3 3584 B17R2.5301 Brc1cccc(n1)SCCc2ccccn2 62a_100000684672_100015183660 [1,1,0,0,0,0|2,0,0]=4 3585 B17R2.5301 Brc1cccc(n1)SCCc2ccccn2 62a_100015183660_100000684672 [1,1,0,0,0,0|2,0,0]=4 3586 B17R2.5301 Brc1cccc(n1)SCCc2cccnc2 62a_100000684672_200011713674 [1,1,0,0,0,0|2,0,0]=4 3587 B17R2.5301 Brc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000684672 [1,1,0,0,0,0|2,0,0]=4 3588 B17R2.5301 Brc1cccc(n1)SCCc2ccncc2 62a_100000684672_100000723409 [1,1,0,0,0,0|2,0,0]=4 3589 B17R2.5301 Brc1cccc(n1)SCCc2ccncc2 62a_100000723409_100000684672 [1,1,0,0,0,0|2,0,0]=4 3590 B17R2.5301 Brc1cccc(n1)SCSc2ccccc2 62a_100000684672_100011218342 [1,1,0,0,0,0|2,0,0]=4 3591 B17R2.5301 Brc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000684672 [1,1,0,0,0,0|2,0,0]=4 3592 B17R2.5301 Brc1ccnc(c1)CNCc2ccccc2 2230a_100015324214_100010173614 [1,1,0,0,0,0|2,0,0]=4 3593 B17R2.5301 Brc1ccnc(c1)CNCc2ccccc2 270004a_100015324214_100009818557 [1,1,0,0,0,0|2,0,0]=4 3594 B17R2.5301 Brc1ccnc(c1)CNCc2ccccc2 34a_100015324214_100010173614 [1,1,0,0,0,0|2,0,0]=4 3595 B17R2.5301 Brc1ccnc(c1)COCc2ccccc2 34a_100000210790_100010173614 [1,1,0,0,0,0|2,0,0]=4 3596 B17R2.5301 Brc1ccnc(c1)COCc2ccccc2 7a_100000210790_100010173614 [1,1,0,0,0,0|2,0,0]=4 3597 B17R2.5301 Brc1ccnc(c1)CSCc2ccccc2 62a_100000211182_100010173614 [1,1,0,0,0,0|2,0,0]=4 3598 B17R2.5301 Brc1ccnc(c1)CSCc2ccccc2 62a_100010173614_100015291786 [1,1,0,0,0,0|2,0,0]=4 3599 B17R2.5301 Brc1ccnc(c1)NN=Cc2ccccc2 4a_100000764631_100015611070 [1,1,0,0,0,0|1,0,1]=4 3600 B17R2.5301 Cc1cc(ccn1)NCCc2ccccc2 27a_100000106460_100000758586 [1,1,0,0,0,0|2,0,0]=4 3601 B17R2.5301 Cc1cc(ncn1)NCCc2ccccc2 27a_100000106460_100000744208 [1,1,0,0,0,0|1,0,0]=3 3602 B17R2.5301 Cc1cc(ncn1)NCCc2ccccn2 27a_100000211156_100000744208 [1,1,0,0,0,0|2,0,0]=4 3603 B17R2.5301 Cc1cc(ncn1)NCCc2cccnc2 27a_100000736294_100000744208 [1,1,0,0,0,0|2,0,0]=4 3604 B17R2.5301 Cc1cc(ncn1)NCCc2ccncc2 27a_100000742849_100000744208 [1,1,0,0,0,0|2,0,0]=4 3605 B17R2.5301 Cc1cc(ncn1)SCCc2ccccc2 62a_100000744208_100011218657 [1,1,0,0,0,0|2,0,0]=4 3606 B17R2.5301 Cc1cc(ncn1)SCCc2ccccc2 62a_100000765856_100000744208 [1,1,0,0,0,0|2,0,0]=4 3607 B17R2.5301 Cc1cccc(c1)C=NNc2ccccn2 4a_100000183288_100000211157 [1,1,0,0,0,0|1,0,1]=4 3608 B17R2.5301 Cc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011713685 [1,1,0,0,0,0|1,0,0]=3 3609 B17R2.5301 Cc1cccc(c1)CCNc2cccnn2 27a_100000749837_100016991348 [1,1,0,0,0,0|1,0,0]=3 3610 B17R2.5301 Cc1cccc(c1)CCNc2ccncn2 27a_100000749837_100000703185 [1,1,0,0,0,0|1,0,0]=3 3611 B17R2.5301 Cc1cccc(c1)CCNc2cnccn2 27a_100000749837_100000211759 [1,1,0,0,0,0|1,0,0]=3 3612 B17R2.5301 Cc1cccc(c1)CCNc2ncccn2 27a_100000749837_100000211032 [1,1,0,0,0,0|1,0,0]=3 3613 B17R2.5301 Cc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011713685 [1,1,0,0,0,0|2,0,0]=4 3614 B17R2.5301 Cc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011713685 [1,1,0,0,0,0|2,0,0]=4 3615 B17R2.5301 Cc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011713685 [1,1,0,0,0,0|2,0,0]=4 3616 B17R2.5301 Cc1cccc(c1)CCSc2ccccc2 62a_100011713685_100000041952 [1,1,0,0,0,0|2,0,0]=4 3617 B17R2.5301 Cc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011713685 [1,1,0,0,0,0|1,0,0]=3 3618 B17R2.5301 Cc1cccc(c1)CCSc2ccccn2 62a_100011713685_100011216584 [1,1,0,0,0,0|1,0,0]=3 3619 B17R2.5301 Cc1cccc(c1)CCSc2cccnn2 62a_100011713685_100016991348 [1,1,0,0,0,0|2,0,0]=4 3620 B17R2.5301 Cc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011713685 [1,1,0,0,0,0|2,0,0]=4 3621 B17R2.5301 Cc1cccc(c1)CCSc2ccncn2 62a_100000703185_100011713685 [1,1,0,0,0,0|2,0,0]=4 3622 B17R2.5301 Cc1cccc(c1)CCSc2ccncn2 62a_100011713685_100000703185 [1,1,0,0,0,0|2,0,0]=4 3623 B17R2.5301 Cc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011713685 [1,1,0,0,0,0|2,0,0]=4 3624 B17R2.5301 Cc1cccc(c1)CCSc2cnccn2 62a_100011713685_100000211759 [1,1,0,0,0,0|2,0,0]=4 3625 B17R2.5301 Cc1cccc(c1)CCSc2ncccn2 62a_100000211032_100011713685 [1,1,0,0,0,0|2,0,0]=4 3626 B17R2.5301 Cc1cccc(c1)CCSc2ncccn2 62a_100011713685_100000211032 [1,1,0,0,0,0|2,0,0]=4 3627 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 207a_100000185548_100000209966 [1,1,0,0,0,0|2,0,0]=4 3628 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 2230a_100000185548_100000721315 [1,1,0,0,0,0|2,0,0]=4 3629 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 270004a_100000185548_100000209966 [1,1,0,0,0,0|2,0,0]=4 3630 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000211157 [1,1,0,0,0,0|2,0,0]=4 3631 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 34a_100000185548_100000721315 [1,1,0,0,0,0|2,0,0]=4 3632 B17R2.5301 Cc1cccc(c1)COCc2ccccn2 34a_100011217746_100000721315 [1,1,0,0,0,0|2,0,0]=4 3633 B17R2.5301 Cc1cccc(c1)COCc2ccccn2 7a_100011217746_100000721315 [1,1,0,0,0,0|2,0,0]=4 3634 B17R2.5301 Cc1cccc(c1)CSCc2ccccn2 62a_100000211840_100000721315 [1,1,0,0,0,0|2,0,0]=4 3635 B17R2.5301 Cc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000211840 [1,1,0,0,0,0|2,0,0]=4 3636 B17R2.5301 Cc1cccc(c1)NCCc2ccccc2 2230a_100000188690_100000765856 [1,1,0,0,0,0|1,0,0]=3 3637 B17R2.5301 Cc1cccc(c1)NCCc2ccccc2 34a_100000188690_100000765856 [1,1,0,0,0,0|1,0,0]=3 3638 B17R2.5301 Cc1cccc(c1)NCCc2ccccn2 2230a_100000188690_100015183660 [1,1,0,0,0,0|2,0,0]=4 3639 B17R2.5301 Cc1cccc(c1)NCCc2cccnc2 2230a_100000188690_200011713674 [1,1,0,0,0,0|2,0,0]=4 3640 B17R2.5301 Cc1cccc(c1)NCCc2ccncc2 2230a_100000188690_100000723409 [1,1,0,0,0,0|2,0,0]=4 3641 B17R2.5301 Cc1cccc(c1)NCSc2ccccc2 2230a_100000188690_100011218342 [1,1,0,0,0,0|2,0,0]=4 3642 B17R2.5301 Cc1cccc(c1)OCCc2ccccc2 34a_100000210337_100000765856 [1,1,0,0,0,0|2,0,0]=4 3643 B17R2.5301 Cc1cccc(c1)OCCc2ccccc2 7a_100000210337_100000765856 [1,1,0,0,0,0|2,0,0]=4 3644 B17R2.5301 Cc1cccc(c1)OCCc2ccccn2 7a_100000210337_100015183660 [1,1,0,0,0,0|2,0,0]=4 3645 B17R2.5301 Cc1cccc(c1)SCCc2ccccc2 62a_100000765856_100011215228 [1,1,0,0,0,0|2,0,0]=4 3646 B17R2.5301 Cc1cccc(c1)SCCc2ccccc2 62a_100011215228_100011218657 [1,1,0,0,0,0|2,0,0]=4 3647 B17R2.5301 Cc1cccc(c1)SCCc2ccccn2 62a_100011215228_100015183660 [1,1,0,0,0,0|2,0,0]=4 3648 B17R2.5301 Cc1cccc(c1)SCCc2ccccn2 62a_100015183660_100011215228 [1,1,0,0,0,0|2,0,0]=4 3649 B17R2.5301 Cc1cccc(n1)C=CCc2ccccc2 271570a_200016263579_100000742759 [1,1,0,0,0,0|1,0,1]=4 3650 B17R2.5301 Cc1cccc(n1)CCNc2cccnn2 27a_100011824523_100016991348 [1,1,0,0,0,0|2,0,0]=4 3651 B17R2.5301 Cc1cccc(n1)CCNc2ccncn2 27a_100011824523_100000703185 [1,1,0,0,0,0|2,0,0]=4 3652 B17R2.5301 Cc1cccc(n1)CCNc2cnccn2 27a_100011824523_100000211759 [1,1,0,0,0,0|2,0,0]=4 3653 B17R2.5301 Cc1cccc(n1)CCNc2ncccn2 27a_100011824523_100000211032 [1,1,0,0,0,0|2,0,0]=4 3654 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 207a_100015324214_100011215050 [1,1,0,0,0,0|2,0,0]=4 3655 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100000757606 [1,1,0,0,0,0|2,0,0]=4 3656 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100011215050 [1,1,0,0,0,0|2,0,0]=4 3657 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 34a_100000701342_100015291786 [1,1,0,0,0,0|2,0,0]=4 3658 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 34a_100015324214_100000757606 [1,1,0,0,0,0|2,0,0]=4 3659 B17R2.5301 Cc1cccc(n1)COCc2ccccc2 34a_100000210790_100000757606 [1,1,0,0,0,0|2,0,0]=4 3660 B17R2.5301 Cc1cccc(n1)COCc2ccccc2 34a_100000690600_100015291786 [1,1,0,0,0,0|2,0,0]=4 3661 B17R2.5301 Cc1cccc(n1)COCc2ccccc2 7a_100000210790_100000757606 [1,1,0,0,0,0|2,0,0]=4 3662 B17R2.5301 Cc1cccc(n1)CSCc2ccccc2 62a_100000211182_100000757606 [1,1,0,0,0,0|2,0,0]=4 3663 B17R2.5301 Cc1cccc(n1)CSCc2ccccc2 62a_100000757606_100015291786 [1,1,0,0,0,0|2,0,0]=4 3664 B17R2.5301 Cc1cccc(n1)NN=Cc2ccccc2 4a_100011363444_100015611070 [1,1,0,0,0,0|1,0,1]=4 3665 B17R2.5301 Cc1cccc(n1)SCCc2ccccc2 62a_100000742759_100011218657 [1,1,0,0,0,0|1,0,0]=3 3666 B17R2.5301 Cc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000742759 [1,1,0,0,0,0|1,0,0]=3 3667 B17R2.5301 Cc1cccc(n1)SCCc2ccccn2 62a_100000742759_100015183660 [1,1,0,0,0,0|2,0,0]=4 3668 B17R2.5301 Cc1cccc(n1)SCCc2ccccn2 62a_100015183660_100000742759 [1,1,0,0,0,0|2,0,0]=4 3669 B17R2.5301 Cc1cccc(n1)SCCc2cccnc2 62a_100000742759_200011713674 [1,1,0,0,0,0|2,0,0]=4 3670 B17R2.5301 Cc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000742759 [1,1,0,0,0,0|2,0,0]=4 3671 B17R2.5301 Cc1cccc(n1)SCCc2ccncc2 62a_100000723409_100000742759 [1,1,0,0,0,0|2,0,0]=4 3672 B17R2.5301 Cc1cccc(n1)SCCc2ccncc2 62a_100000742759_100000723409 [1,1,0,0,0,0|2,0,0]=4 3673 B17R2.5301 Cc1cccc(n1)SCSc2ccccc2 62a_100000742759_100011218342 [1,1,0,0,0,0|2,0,0]=4 3674 B17R2.5301 Cc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000742759 [1,1,0,0,0,0|2,0,0]=4 3675 B17R2.5301 Cc1ccnc(c1)C=CCc2ccccc2 271570a_200016263579_100000750283 [1,1,0,0,0,0|1,0,1]=4 3676 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 207a_100015324214_100011361488 [1,1,0,0,0,0|2,0,0]=4 3677 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 2230a_100015324214_100000718516 [1,1,0,0,0,0|2,0,0]=4 3678 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 270004a_100015324214_100011361488 [1,1,0,0,0,0|2,0,0]=4 3679 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 34a_100015324214_100000718516 [1,1,0,0,0,0|2,0,0]=4 3680 B17R2.5301 Cc1ccnc(c1)COCc2ccccc2 34a_100000210790_100000718516 [1,1,0,0,0,0|2,0,0]=4 3681 B17R2.5301 Cc1ccnc(c1)COCc2ccccc2 34a_100011998357_100015291786 [1,1,0,0,0,0|2,0,0]=4 3682 B17R2.5301 Cc1ccnc(c1)COCc2ccccc2 7a_100000210790_100000718516 [1,1,0,0,0,0|2,0,0]=4 3683 B17R2.5301 Cc1ccnc(c1)CSCc2ccccc2 62a_100000211182_100000718516 [1,1,0,0,0,0|2,0,0]=4 3684 B17R2.5301 Cc1ccnc(c1)CSCc2ccccc2 62a_100000718516_100015291786 [1,1,0,0,0,0|2,0,0]=4 3685 B17R2.5301 Cc1ccnc(c1)NN=Cc2ccccc2 4a_100000746014_100015611070 [1,1,0,0,0,0|1,0,1]=4 3686 B17R2.5301 Cc1ccnc(c1)SCCc2ccccc2 62a_100000750283_100011218657 [1,1,0,0,0,0|1,0,0]=3 3687 B17R2.5301 Cc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100000750283 [1,1,0,0,0,0|1,0,0]=3 3688 B17R2.5301 Cc1ccnc(c1)SCCc2ccccn2 62a_100000750283_100015183660 [1,1,0,0,0,0|2,0,0]=4 3689 B17R2.5301 Cc1ccnc(c1)SCCc2ccccn2 62a_100015183660_100000750283 [1,1,0,0,0,0|2,0,0]=4 3690 B17R2.5301 Cc1ccnc(c1)SCCc2cccnc2 62a_100000750283_200011713674 [1,1,0,0,0,0|2,0,0]=4 3691 B17R2.5301 Cc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100000750283 [1,1,0,0,0,0|2,0,0]=4 3692 B17R2.5301 Cc1ccnc(c1)SCCc2ccncc2 62a_100000723409_100000750283 [1,1,0,0,0,0|2,0,0]=4 3693 B17R2.5301 Cc1ccnc(c1)SCCc2ccncc2 62a_100000750283_100000723409 [1,1,0,0,0,0|2,0,0]=4 3694 B17R2.5301 Cc1ccnc(c1)SCSc2ccccc2 62a_100000750283_100011218342 [1,1,0,0,0,0|2,0,0]=4 3695 B17R2.5301 Cc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100000750283 [1,1,0,0,0,0|2,0,0]=4 3696 B17R2.5301 Cc1ccnc(n1)NCCc2ccccc2 27a_100000106460_100000750684 [1,1,0,0,0,0|1,0,0]=3 3697 B17R2.5301 Cc1ccnc(n1)NCCc2ccccn2 27a_100000211156_100000750684 [1,1,0,0,0,0|2,0,0]=4 3698 B17R2.5301 Cc1ccnc(n1)NCCc2cccnc2 27a_100000736294_100000750684 [1,1,0,0,0,0|2,0,0]=4 3699 B17R2.5301 Cc1ccnc(n1)NCCc2ccncc2 27a_100000742849_100000750684 [1,1,0,0,0,0|2,0,0]=4 3700 B17R2.5301 Cc1ccnc(n1)SCCc2ccccc2 62a_100000765856_100011243806 [1,1,0,0,0,0|2,0,0]=4 3701 B17R2.5301 Cc1ccnc(n1)SCCc2ccccc2 62a_100011243806_100011218657 [1,1,0,0,0,0|2,0,0]=4 3702 B17R2.5301 Cc1cncc(n1)NCCc2ccccc2 27a_100000106460_100000754123 [1,1,0,0,0,0|1,0,0]=3 3703 B17R2.5301 Cc1cncc(n1)NCCc2ccccn2 27a_100000211156_100000754123 [1,1,0,0,0,0|2,0,0]=4 3704 B17R2.5301 Cc1cncc(n1)NCCc2cccnc2 27a_100000736294_100000754123 [1,1,0,0,0,0|2,0,0]=4 3705 B17R2.5301 Cc1cncc(n1)NCCc2ccncc2 27a_100000742849_100000754123 [1,1,0,0,0,0|2,0,0]=4 3706 B17R2.5301 Cc1cncc(n1)SCCc2ccccc2 62a_100000754123_100011218657 [1,1,0,0,0,0|2,0,0]=4 3707 B17R2.5301 Cc1cncc(n1)SCCc2ccccc2 62a_100000765856_100000754123 [1,1,0,0,0,0|2,0,0]=4 3708 B17R2.5301 Cc1cnnc(c1)NCCc2ccccc2 27a_100000106460_100000070100 [1,1,0,0,0,0|1,0,0]=3 3709 B17R2.5301 Cc1cnnc(c1)NCCc2ccccn2 27a_100000211156_100000070100 [1,1,0,0,0,0|2,0,0]=4 3710 B17R2.5301 Cc1cnnc(c1)NCCc2cccnc2 27a_100000736294_100000070100 [1,1,0,0,0,0|2,0,0]=4 3711 B17R2.5301 Cc1cnnc(c1)NCCc2ccncc2 27a_100000742849_100000070100 [1,1,0,0,0,0|2,0,0]=4 3712 B17R2.5301 Cc1cnnc(c1)OCCc2ccccc2 34a_100000766097_100000765856 [1,1,0,0,0,0|2,0,0]=4 3713 B17R2.5301 Cc1cnnc(c1)SCCc2ccccc2 62a_100000070100_100011218657 [1,1,0,0,0,0|2,0,0]=4 3714 B17R2.5301 Cc1cnnc(c1)SCCc2ccccc2 62a_100000765856_100000070100 [1,1,0,0,0,0|2,0,0]=4 3715 B17R2.5301 Cc1nccc(n1)NCCc2ccccc2 27a_100000106460_100000749937 [1,1,0,0,0,0|1,0,0]=3 3716 B17R2.5301 Cc1nccc(n1)NCCc2ccccn2 27a_100000211156_100000749937 [1,1,0,0,0,0|2,0,0]=4 3717 B17R2.5301 Cc1nccc(n1)NCCc2cccnc2 27a_100000736294_100000749937 [1,1,0,0,0,0|2,0,0]=4 3718 B17R2.5301 Cc1nccc(n1)NCCc2ccncc2 27a_100000742849_100000749937 [1,1,0,0,0,0|2,0,0]=4 3719 B17R2.5301 Cc1nccc(n1)SCCc2ccccc2 62a_100000749937_100011218657 [1,1,0,0,0,0|2,0,0]=4 3720 B17R2.5301 Cc1nccc(n1)SCCc2ccccc2 62a_100000765856_100000749937 [1,1,0,0,0,0|2,0,0]=4 3721 B17R2.5301 Clc1cc(ncn1)SCCc2ccccc2 62a_100000765856_100010161198 [1,1,0,0,0,0|2,0,0]=4 3722 B17R2.5301 Clc1cc(ncn1)SCCc2ccccc2 62a_100010161198_100011218657 [1,1,0,0,0,0|2,0,0]=4 3723 B17R2.5301 Clc1cccc(c1)C=NNc2ccccn2 4a_100000183288_100000210801 [1,1,0,0,0,0|1,0,1]=4 3724 B17R2.5301 Clc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011713710 [1,1,0,0,0,0|1,0,0]=3 3725 B17R2.5301 Clc1cccc(c1)CCNc2cccnn2 27a_100000185263_100016991348 [1,1,0,0,0,0|1,0,0]=3 3726 B17R2.5301 Clc1cccc(c1)CCNc2ccncn2 27a_100000185263_100000703185 [1,1,0,0,0,0|1,0,0]=3 3727 B17R2.5301 Clc1cccc(c1)CCNc2cnccn2 27a_100000185263_100000211759 [1,1,0,0,0,0|1,0,0]=3 3728 B17R2.5301 Clc1cccc(c1)CCNc2ncccn2 27a_100000185263_100000211032 [1,1,0,0,0,0|1,0,0]=3 3729 B17R2.5301 Clc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011713710 [1,1,0,0,0,0|2,0,0]=4 3730 B17R2.5301 Clc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011713710 [1,1,0,0,0,0|2,0,0]=4 3731 B17R2.5301 Clc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011713710 [1,1,0,0,0,0|2,0,0]=4 3732 B17R2.5301 Clc1cccc(c1)CCSc2ccccc2 62a_100011713710_100000041952 [1,1,0,0,0,0|2,0,0]=4 3733 B17R2.5301 Clc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011713710 [1,1,0,0,0,0|1,0,0]=3 3734 B17R2.5301 Clc1cccc(c1)CCSc2ccccn2 62a_100011713710_100011216584 [1,1,0,0,0,0|1,0,0]=3 3735 B17R2.5301 Clc1cccc(c1)CCSc2cccnn2 62a_100011713710_100016991348 [1,1,0,0,0,0|2,0,0]=4 3736 B17R2.5301 Clc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011713710 [1,1,0,0,0,0|2,0,0]=4 3737 B17R2.5301 Clc1cccc(c1)CCSc2ccncn2 62a_100000703185_100011713710 [1,1,0,0,0,0|2,0,0]=4 3738 B17R2.5301 Clc1cccc(c1)CCSc2ccncn2 62a_100011713710_100000703185 [1,1,0,0,0,0|2,0,0]=4 3739 B17R2.5301 Clc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011713710 [1,1,0,0,0,0|2,0,0]=4 3740 B17R2.5301 Clc1cccc(c1)CCSc2cnccn2 62a_100011713710_100000211759 [1,1,0,0,0,0|2,0,0]=4 3741 B17R2.5301 Clc1cccc(c1)CCSc2ncccn2 62a_100000211032_100011713710 [1,1,0,0,0,0|2,0,0]=4 3742 B17R2.5301 Clc1cccc(c1)CCSc2ncccn2 62a_100011713710_100000211032 [1,1,0,0,0,0|2,0,0]=4 3743 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 207a_100000174878_100000209966 [1,1,0,0,0,0|2,0,0]=4 3744 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 2230a_100000174878_100000721315 [1,1,0,0,0,0|2,0,0]=4 3745 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 270004a_100000174878_100000209966 [1,1,0,0,0,0|2,0,0]=4 3746 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000210801 [1,1,0,0,0,0|2,0,0]=4 3747 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 34a_100000174878_100000721315 [1,1,0,0,0,0|2,0,0]=4 3748 B17R2.5301 Clc1cccc(c1)COCc2ccccn2 34a_100000241301_100000721315 [1,1,0,0,0,0|2,0,0]=4 3749 B17R2.5301 Clc1cccc(c1)COCc2ccccn2 7a_100000241301_100000721315 [1,1,0,0,0,0|2,0,0]=4 3750 B17R2.5301 Clc1cccc(c1)CSCc2ccccn2 62a_100000187163_100000721315 [1,1,0,0,0,0|2,0,0]=4 3751 B17R2.5301 Clc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000187163 [1,1,0,0,0,0|2,0,0]=4 3752 B17R2.5301 Clc1cccc(c1)NCCc2ccccc2 34a_100000185859_100000765856 [1,1,0,0,0,0|1,0,0]=3 3753 B17R2.5301 Clc1cccc(c1)OCCc2ccccc2 34a_100000210295_100000765856 [1,1,0,0,0,0|2,0,0]=4 3754 B17R2.5301 Clc1cccc(c1)OCCc2ccccc2 7a_100000210295_100000765856 [1,1,0,0,0,0|2,0,0]=4 3755 B17R2.5301 Clc1cccc(c1)OCCc2ccccn2 7a_100000210295_100015183660 [1,1,0,0,0,0|2,0,0]=4 3756 B17R2.5301 Clc1cccc(c1)SCCc2ccccc2 62a_100000699651_100011218657 [1,1,0,0,0,0|2,0,0]=4 3757 B17R2.5301 Clc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000699651 [1,1,0,0,0,0|2,0,0]=4 3758 B17R2.5301 Clc1cccc(c1)SCCc2ccccn2 62a_100000699651_100015183660 [1,1,0,0,0,0|2,0,0]=4 3759 B17R2.5301 Clc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000699651 [1,1,0,0,0,0|2,0,0]=4 3760 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100000086093 [1,1,0,0,0,0|2,0,0]=4 3761 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 2230a_100016990191_100015291786 [1,1,0,0,0,0|2,0,0]=4 3762 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100011361687 [1,1,0,0,0,0|2,0,0]=4 3763 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 34a_100015324214_100000086093 [1,1,0,0,0,0|2,0,0]=4 3764 B17R2.5301 Clc1cccc(n1)COCc2ccccc2 34a_100000210790_100000086093 [1,1,0,0,0,0|2,0,0]=4 3765 B17R2.5301 Clc1cccc(n1)COCc2ccccc2 34a_100011998359_100015291786 [1,1,0,0,0,0|2,0,0]=4 3766 B17R2.5301 Clc1cccc(n1)COCc2ccccc2 7a_100000210790_100000086093 [1,1,0,0,0,0|2,0,0]=4 3767 B17R2.5301 Clc1cccc(n1)CSCc2ccccc2 62a_100000086093_100015291786 [1,1,0,0,0,0|2,0,0]=4 3768 B17R2.5301 Clc1cccc(n1)CSCc2ccccc2 62a_100000211182_100000086093 [1,1,0,0,0,0|2,0,0]=4 3769 B17R2.5301 Clc1cccc(n1)NN=Cc2ccccc2 4a_100102524919_100015611070 [1,1,0,0,0,0|1,0,1]=4 3770 B17R2.5301 Clc1cccc(n1)SCCc2ccccc2 62a_100000051397_100011218657 [1,1,0,0,0,0|1,0,0]=3 3771 B17R2.5301 Clc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000051397 [1,1,0,0,0,0|1,0,0]=3 3772 B17R2.5301 Clc1cccc(n1)SCCc2ccccn2 62a_100000051397_100015183660 [1,1,0,0,0,0|2,0,0]=4 3773 B17R2.5301 Clc1cccc(n1)SCCc2ccccn2 62a_100015183660_100000051397 [1,1,0,0,0,0|2,0,0]=4 3774 B17R2.5301 Clc1cccc(n1)SCCc2cccnc2 62a_100000051397_200011713674 [1,1,0,0,0,0|2,0,0]=4 3775 B17R2.5301 Clc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000051397 [1,1,0,0,0,0|2,0,0]=4 3776 B17R2.5301 Clc1cccc(n1)SCCc2ccncc2 62a_100000051397_100000723409 [1,1,0,0,0,0|2,0,0]=4 3777 B17R2.5301 Clc1cccc(n1)SCCc2ccncc2 62a_100000723409_100000051397 [1,1,0,0,0,0|2,0,0]=4 3778 B17R2.5301 Clc1cccc(n1)SCSc2ccccc2 62a_100000051397_100011218342 [1,1,0,0,0,0|2,0,0]=4 3779 B17R2.5301 Clc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000051397 [1,1,0,0,0,0|2,0,0]=4 3780 B17R2.5301 Clc1ccnc(c1)C=CCc2ccccc2 271570a_200016263579_100010167805 [1,1,0,0,0,0|1,0,1]=4 3781 B17R2.5301 Clc1ccnc(c1)CNCc2ccccc2 2230a_100015324214_100016988179 [1,1,0,0,0,0|2,0,0]=4 3782 B17R2.5301 Clc1ccnc(c1)CNCc2ccccc2 270004a_100015324214_100011998288 [1,1,0,0,0,0|2,0,0]=4 3783 B17R2.5301 Clc1ccnc(c1)CNCc2ccccc2 34a_100015324214_100016988179 [1,1,0,0,0,0|2,0,0]=4 3784 B17R2.5301 Clc1ccnc(c1)COCc2ccccc2 34a_100000210790_100016988179 [1,1,0,0,0,0|2,0,0]=4 3785 B17R2.5301 Clc1ccnc(c1)COCc2ccccc2 34a_100000748867_100015291786 [1,1,0,0,0,0|2,0,0]=4 3786 B17R2.5301 Clc1ccnc(c1)COCc2ccccc2 7a_100000210790_100016988179 [1,1,0,0,0,0|2,0,0]=4 3787 B17R2.5301 Clc1ccnc(c1)CSCc2ccccc2 62a_100000211182_100016988179 [1,1,0,0,0,0|2,0,0]=4 3788 B17R2.5301 Clc1ccnc(c1)CSCc2ccccc2 62a_100016988179_100015291786 [1,1,0,0,0,0|2,0,0]=4 3789 B17R2.5301 Clc1ccnc(c1)NN=Cc2ccccc2 4a_100102524961_100015611070 [1,1,0,0,0,0|1,0,1]=4 3790 B17R2.5301 Clc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100010167805 [1,1,0,0,0,0|1,0,0]=3 3791 B17R2.5301 Clc1ccnc(c1)SCCc2ccccc2 62a_100010167805_100011218657 [1,1,0,0,0,0|1,0,0]=3 3792 B17R2.5301 Clc1ccnc(c1)SCCc2ccccn2 62a_100010167805_100015183660 [1,1,0,0,0,0|2,0,0]=4 3793 B17R2.5301 Clc1ccnc(c1)SCCc2ccccn2 62a_100015183660_100010167805 [1,1,0,0,0,0|2,0,0]=4 3794 B17R2.5301 Clc1ccnc(c1)SCCc2cccnc2 62a_100010167805_200011713674 [1,1,0,0,0,0|2,0,0]=4 3795 B17R2.5301 Clc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100010167805 [1,1,0,0,0,0|2,0,0]=4 3796 B17R2.5301 Clc1ccnc(c1)SCCc2ccncc2 62a_100000723409_100010167805 [1,1,0,0,0,0|2,0,0]=4 3797 B17R2.5301 Clc1ccnc(c1)SCCc2ccncc2 62a_100010167805_100000723409 [1,1,0,0,0,0|2,0,0]=4 3798 B17R2.5301 Clc1ccnc(c1)SCSc2ccccc2 62a_100010167805_100011218342 [1,1,0,0,0,0|2,0,0]=4 3799 B17R2.5301 Clc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100010167805 [1,1,0,0,0,0|2,0,0]=4 3800 B17R2.5301 Clc1cncc(n1)NCCc2ccccc2 27a_100000106460_100010892449 [1,1,0,0,0,0|1,0,0]=3 3801 B17R2.5301 Clc1cncc(n1)NCCc2ccccn2 27a_100000211156_100010892449 [1,1,0,0,0,0|2,0,0]=4 3802 B17R2.5301 Clc1cncc(n1)NCCc2cccnc2 27a_100000736294_100010892449 [1,1,0,0,0,0|2,0,0]=4 3803 B17R2.5301 Clc1cncc(n1)NCCc2ccncc2 27a_100000742849_100010892449 [1,1,0,0,0,0|2,0,0]=4 3804 B17R2.5301 Clc1cncc(n1)SCCc2ccccc2 62a_100000765856_100010892449 [1,1,0,0,0,0|2,0,0]=4 3805 B17R2.5301 Clc1cncc(n1)SCCc2ccccc2 62a_100010892449_100011218657 [1,1,0,0,0,0|2,0,0]=4 3806 B17R2.5301 Clc1nccc(n1)SCCc2ccccc2 62a_100000765856_100010154678 [1,1,0,0,0,0|2,0,0]=4 3807 B17R2.5301 Clc1nccc(n1)SCCc2ccccc2 62a_100010154678_100011218657 [1,1,0,0,0,0|2,0,0]=4 3808 B17R2.5301 Fc1cc(ccn1)NCCc2ccccc2 27a_100000106460_100009816116 [1,1,0,0,0,0|2,0,0]=4 3809 B17R2.5301 Fc1cc(ncn1)NCCc2ccccc2 27a_100000106460_200009880791 [1,1,0,0,0,0|1,0,0]=3 3810 B17R2.5301 Fc1cc(ncn1)NCCc2ccccn2 27a_100000211156_200009880791 [1,1,0,0,0,0|2,0,0]=4 3811 B17R2.5301 Fc1cc(ncn1)NCCc2cccnc2 27a_100000736294_200009880791 [1,1,0,0,0,0|2,0,0]=4 3812 B17R2.5301 Fc1cc(ncn1)NCCc2ccncc2 27a_100000742849_200009880791 [1,1,0,0,0,0|2,0,0]=4 3813 B17R2.5301 Fc1cc(ncn1)SCCc2ccccc2 62a_100000765856_200009880791 [1,1,0,0,0,0|2,0,0]=4 3814 B17R2.5301 Fc1cc(ncn1)SCCc2ccccc2 62a_200009880791_100011218657 [1,1,0,0,0,0|2,0,0]=4 3815 B17R2.5301 Fc1cccc(c1)C=NNc2ccccn2 4a_100000183288_100000210812 [1,1,0,0,0,0|1,0,1]=4 3816 B17R2.5301 Fc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011217235 [1,1,0,0,0,0|1,0,0]=3 3817 B17R2.5301 Fc1cccc(c1)CCNc2cccnn2 27a_100000205154_100016991348 [1,1,0,0,0,0|1,0,0]=3 3818 B17R2.5301 Fc1cccc(c1)CCNc2ccncn2 27a_100000205154_100000703185 [1,1,0,0,0,0|1,0,0]=3 3819 B17R2.5301 Fc1cccc(c1)CCNc2cnccn2 27a_100000205154_100000211759 [1,1,0,0,0,0|1,0,0]=3 3820 B17R2.5301 Fc1cccc(c1)CCNc2ncccn2 27a_100000205154_100000211032 [1,1,0,0,0,0|1,0,0]=3 3821 B17R2.5301 Fc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011217235 [1,1,0,0,0,0|2,0,0]=4 3822 B17R2.5301 Fc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011217235 [1,1,0,0,0,0|2,0,0]=4 3823 B17R2.5301 Fc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011217235 [1,1,0,0,0,0|2,0,0]=4 3824 B17R2.5301 Fc1cccc(c1)CCSc2ccccc2 62a_100011217235_100000041952 [1,1,0,0,0,0|2,0,0]=4 3825 B17R2.5301 Fc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011217235 [1,1,0,0,0,0|1,0,0]=3 3826 B17R2.5301 Fc1cccc(c1)CCSc2ccccn2 62a_100011217235_100011216584 [1,1,0,0,0,0|1,0,0]=3 3827 B17R2.5301 Fc1cccc(c1)CCSc2cccnn2 62a_100011217235_100016991348 [1,1,0,0,0,0|2,0,0]=4 3828 B17R2.5301 Fc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011217235 [1,1,0,0,0,0|2,0,0]=4 3829 B17R2.5301 Fc1cccc(c1)CCSc2ccncn2 62a_100000703185_100011217235 [1,1,0,0,0,0|2,0,0]=4 3830 B17R2.5301 Fc1cccc(c1)CCSc2ccncn2 62a_100011217235_100000703185 [1,1,0,0,0,0|2,0,0]=4 3831 B17R2.5301 Fc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011217235 [1,1,0,0,0,0|2,0,0]=4 3832 B17R2.5301 Fc1cccc(c1)CCSc2cnccn2 62a_100011217235_100000211759 [1,1,0,0,0,0|2,0,0]=4 3833 B17R2.5301 Fc1cccc(c1)CCSc2ncccn2 62a_100000211032_100011217235 [1,1,0,0,0,0|2,0,0]=4 3834 B17R2.5301 Fc1cccc(c1)CCSc2ncccn2 62a_100011217235_100000211032 [1,1,0,0,0,0|2,0,0]=4 3835 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 207a_100000174948_100000209966 [1,1,0,0,0,0|2,0,0]=4 3836 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 2230a_100000174948_100000721315 [1,1,0,0,0,0|2,0,0]=4 3837 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 270004a_100000174948_100000209966 [1,1,0,0,0,0|2,0,0]=4 3838 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000210812 [1,1,0,0,0,0|2,0,0]=4 3839 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 34a_100000174948_100000721315 [1,1,0,0,0,0|2,0,0]=4 3840 B17R2.5301 Fc1cccc(c1)COCc2ccccn2 34a_100000210976_100000721315 [1,1,0,0,0,0|2,0,0]=4 3841 B17R2.5301 Fc1cccc(c1)COCc2ccccn2 7a_100000210976_100000721315 [1,1,0,0,0,0|2,0,0]=4 3842 B17R2.5301 Fc1cccc(c1)CSCc2ccccn2 62a_100000230114_100000721315 [1,1,0,0,0,0|2,0,0]=4 3843 B17R2.5301 Fc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000230114 [1,1,0,0,0,0|2,0,0]=4 3844 B17R2.5301 Fc1cccc(c1)NCCc2ccccc2 34a_100000210047_100000765856 [1,1,0,0,0,0|1,0,0]=3 3845 B17R2.5301 Fc1cccc(c1)OCCc2ccccc2 34a_100000210426_100000765856 [1,1,0,0,0,0|2,0,0]=4 3846 B17R2.5301 Fc1cccc(c1)OCCc2ccccc2 7a_100000210426_100000765856 [1,1,0,0,0,0|2,0,0]=4 3847 B17R2.5301 Fc1cccc(c1)OCCc2ccccn2 7a_100000210426_100015183660 [1,1,0,0,0,0|2,0,0]=4 3848 B17R2.5301 Fc1cccc(c1)SCCc2ccccc2 62a_100000685547_100011218657 [1,1,0,0,0,0|2,0,0]=4 3849 B17R2.5301 Fc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000685547 [1,1,0,0,0,0|2,0,0]=4 3850 B17R2.5301 Fc1cccc(c1)SCCc2ccccn2 62a_100000685547_100015183660 [1,1,0,0,0,0|2,0,0]=4 3851 B17R2.5301 Fc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000685547 [1,1,0,0,0,0|2,0,0]=4 3852 B17R2.5301 Fc1cccc(n1)C=CCc2ccccc2 271570a_200016263579_100009815982 [1,1,0,0,0,0|1,0,1]=4 3853 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 2230a_100015188798_100015291786 [1,1,0,0,0,0|2,0,0]=4 3854 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100009819644 [1,1,0,0,0,0|2,0,0]=4 3855 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100000050434 [1,1,0,0,0,0|2,0,0]=4 3856 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 34a_100015188798_100015291786 [1,1,0,0,0,0|2,0,0]=4 3857 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 34a_100015324214_100009819644 [1,1,0,0,0,0|2,0,0]=4 3858 B17R2.5301 Fc1cccc(n1)COCc2ccccc2 34a_100000086748_100015291786 [1,1,0,0,0,0|2,0,0]=4 3859 B17R2.5301 Fc1cccc(n1)COCc2ccccc2 34a_100000210790_100009819644 [1,1,0,0,0,0|2,0,0]=4 3860 B17R2.5301 Fc1cccc(n1)COCc2ccccc2 7a_100000210790_100009819644 [1,1,0,0,0,0|2,0,0]=4 3861 B17R2.5301 Fc1cccc(n1)CSCc2ccccc2 62a_100000211182_100009819644 [1,1,0,0,0,0|2,0,0]=4 3862 B17R2.5301 Fc1cccc(n1)CSCc2ccccc2 62a_100009819644_100015291786 [1,1,0,0,0,0|2,0,0]=4 3863 B17R2.5301 Fc1cccc(n1)NCCc2ccccc2 27a_100000106460_100009815982 [1,1,0,0,0,0|0,0,0]=2 3864 B17R2.5301 Fc1cccc(n1)NCCc2ccccn2 27a_100000211156_100009815982 [1,1,0,0,0,0|1,0,0]=3 3865 B17R2.5301 Fc1cccc(n1)NCCc2cccnc2 27a_100000736294_100009815982 [1,1,0,0,0,0|1,0,0]=3 3866 B17R2.5301 Fc1cccc(n1)NCCc2ccncc2 27a_100000742849_100009815982 [1,1,0,0,0,0|1,0,0]=3 3867 B17R2.5301 Fc1cccc(n1)NCCc2cnccn2 27a_100000723456_100009815982 [1,1,0,0,0,0|2,0,0]=4 3868 B17R2.5301 Fc1cccc(n1)NN=Cc2ccccc2 4a_100000075452_100015611070 [1,1,0,0,0,0|1,0,1]=4 3869 B17R2.5301 Fc1cccc(n1)OCCc2ccccc2 34a_100011432558_100000765856 [1,1,0,0,0,0|1,0,0]=3 3870 B17R2.5301 Fc1cccc(n1)SCCc2ccccc2 62a_100000765856_100009815982 [1,1,0,0,0,0|1,0,0]=3 3871 B17R2.5301 Fc1cccc(n1)SCCc2ccccc2 62a_100009815982_100011218657 [1,1,0,0,0,0|1,0,0]=3 3872 B17R2.5301 Fc1cccc(n1)SCCc2ccccn2 62a_100009815982_100015183660 [1,1,0,0,0,0|2,0,0]=4 3873 B17R2.5301 Fc1cccc(n1)SCCc2ccccn2 62a_100015183660_100009815982 [1,1,0,0,0,0|2,0,0]=4 3874 B17R2.5301 Fc1cccc(n1)SCCc2cccnc2 62a_100009815982_200011713674 [1,1,0,0,0,0|2,0,0]=4 3875 B17R2.5301 Fc1cccc(n1)SCCc2cccnc2 62a_200011713674_100009815982 [1,1,0,0,0,0|2,0,0]=4 3876 B17R2.5301 Fc1cccc(n1)SCCc2ccncc2 62a_100000723409_100009815982 [1,1,0,0,0,0|2,0,0]=4 3877 B17R2.5301 Fc1cccc(n1)SCCc2ccncc2 62a_100009815982_100000723409 [1,1,0,0,0,0|2,0,0]=4 3878 B17R2.5301 Fc1cccc(n1)SCSc2ccccc2 62a_100009815982_100011218342 [1,1,0,0,0,0|2,0,0]=4 3879 B17R2.5301 Fc1cccc(n1)SCSc2ccccc2 62a_100011218342_100009815982 [1,1,0,0,0,0|2,0,0]=4 3880 B17R2.5301 Fc1ccnc(c1)C=CCc2ccccc2 271570a_200016263579_100009817058 [1,1,0,0,0,0|1,0,1]=4 3881 B17R2.5301 Fc1ccnc(c1)NCCc2ccccc2 27a_100000106460_100000764206 [1,1,0,0,0,0|0,0,0]=2 3882 B17R2.5301 Fc1ccnc(c1)NCCc2ccccn2 27a_100000211156_100000764206 [1,1,0,0,0,0|1,0,0]=3 3883 B17R2.5301 Fc1ccnc(c1)NCCc2cccnc2 27a_100000736294_100000764206 [1,1,0,0,0,0|1,0,0]=3 3884 B17R2.5301 Fc1ccnc(c1)NCCc2ccncc2 27a_100000742849_100000764206 [1,1,0,0,0,0|1,0,0]=3 3885 B17R2.5301 Fc1ccnc(c1)NCCc2cnccn2 27a_100000723456_100000764206 [1,1,0,0,0,0|2,0,0]=4 3886 B17R2.5301 Fc1ccnc(c1)SCCc2ccccc2 62a_100000764206_100011218657 [1,1,0,0,0,0|1,0,0]=3 3887 B17R2.5301 Fc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100000764206 [1,1,0,0,0,0|1,0,0]=3 3888 B17R2.5301 Fc1ccnc(c1)SCCc2ccccn2 62a_100000764206_100015183660 [1,1,0,0,0,0|2,0,0]=4 3889 B17R2.5301 Fc1ccnc(c1)SCCc2ccccn2 62a_100015183660_100000764206 [1,1,0,0,0,0|2,0,0]=4 3890 B17R2.5301 Fc1ccnc(c1)SCCc2cccnc2 62a_100000764206_200011713674 [1,1,0,0,0,0|2,0,0]=4 3891 B17R2.5301 Fc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100000764206 [1,1,0,0,0,0|2,0,0]=4 3892 B17R2.5301 Fc1ccnc(c1)SCCc2ccncc2 62a_100000723409_100000764206 [1,1,0,0,0,0|2,0,0]=4 3893 B17R2.5301 Fc1ccnc(c1)SCCc2ccncc2 62a_100000764206_100000723409 [1,1,0,0,0,0|2,0,0]=4 3894 B17R2.5301 Fc1ccnc(c1)SCSc2ccccc2 62a_100000764206_100011218342 [1,1,0,0,0,0|2,0,0]=4 3895 B17R2.5301 Fc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100000764206 [1,1,0,0,0,0|2,0,0]=4 3896 B17R2.5301 Fc1cncc(n1)NCCc2ccccc2 27a_100000106460_200009863489 [1,1,0,0,0,0|1,0,0]=3 3897 B17R2.5301 Fc1cncc(n1)NCCc2ccccn2 27a_100000211156_200009863489 [1,1,0,0,0,0|2,0,0]=4 3898 B17R2.5301 Fc1cncc(n1)NCCc2cccnc2 27a_100000736294_200009863489 [1,1,0,0,0,0|2,0,0]=4 3899 B17R2.5301 Fc1cncc(n1)NCCc2ccncc2 27a_100000742849_200009863489 [1,1,0,0,0,0|2,0,0]=4 3900 B17R2.5301 Fc1cncc(n1)SCCc2ccccc2 62a_100000765856_200009863489 [1,1,0,0,0,0|2,0,0]=4 3901 B17R2.5301 Fc1cncc(n1)SCCc2ccccc2 62a_200009863489_100011218657 [1,1,0,0,0,0|2,0,0]=4 3902 B17R2.5301 Ic1cccc(c1)C=NNc2ccccn2 4a_100000183288_100000014684 [1,1,0,0,0,0|1,0,1]=4 3903 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 207a_100000106179_100000209966 [1,1,0,0,0,0|2,0,0]=4 3904 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 2230a_100000106179_100000721315 [1,1,0,0,0,0|2,0,0]=4 3905 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 270004a_100000106179_100000209966 [1,1,0,0,0,0|2,0,0]=4 3906 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000014684 [1,1,0,0,0,0|2,0,0]=4 3907 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 34a_100000106179_100000721315 [1,1,0,0,0,0|2,0,0]=4 3908 B17R2.5301 Ic1cccc(c1)COCc2ccccn2 34a_100011215336_100000721315 [1,1,0,0,0,0|2,0,0]=4 3909 B17R2.5301 Ic1cccc(c1)COCc2ccccn2 7a_100011215336_100000721315 [1,1,0,0,0,0|2,0,0]=4 3910 B17R2.5301 Ic1cccc(c1)CSCc2ccccn2 62a_100000721315_100011218688 [1,1,0,0,0,0|2,0,0]=4 3911 B17R2.5301 Ic1cccc(c1)CSCc2ccccn2 62a_100011218688_100000721315 [1,1,0,0,0,0|2,0,0]=4 3912 B17R2.5301 Ic1cccc(c1)NCCc2ccccc2 34a_100000211102_100000765856 [1,1,0,0,0,0|1,0,0]=3 3913 B17R2.5301 Ic1cccc(c1)OCCc2ccccc2 34a_100000211634_100000765856 [1,1,0,0,0,0|2,0,0]=4 3914 B17R2.5301 Ic1cccc(c1)OCCc2ccccc2 7a_100000211634_100000765856 [1,1,0,0,0,0|2,0,0]=4 3915 B17R2.5301 Ic1cccc(c1)OCCc2ccccn2 7a_100000211634_100015183660 [1,1,0,0,0,0|2,0,0]=4 3916 B17R2.5301 Ic1ccnc(c1)NN=Cc2ccccc2 4a_100010221011_100015611070 [1,1,0,0,0,0|1,0,1]=4 3917 B17R2.5301 Nc1cc(ncn1)NCCc2ccccc2 27a_100000106460_100000701291 [1,1,0,0,0,0|1,0,0]=3 3918 B17R2.5301 Nc1cc(ncn1)NCCc2ccccn2 27a_100000211156_100000701291 [1,1,0,0,0,0|2,0,0]=4 3919 B17R2.5301 Nc1cc(ncn1)NCCc2cccnc2 27a_100000736294_100000701291 [1,1,0,0,0,0|2,0,0]=4 3920 B17R2.5301 Nc1cc(ncn1)NCCc2ccncc2 27a_100000742849_100000701291 [1,1,0,0,0,0|2,0,0]=4 3921 B17R2.5301 Nc1cc(ncn1)SCCc2ccccc2 62a_100000701291_100011218657 [1,1,0,0,0,0|2,0,0]=4 3922 B17R2.5301 Nc1cc(ncn1)SCCc2ccccc2 62a_100000765856_100000701291 [1,1,0,0,0,0|2,0,0]=4 3923 B17R2.5301 Nc1cccc(c1)COCc2ccccn2 34a_100000211919_100000721315 [1,1,0,0,0,0|2,0,0]=4 3924 B17R2.5301 Nc1cccc(c1)OCCc2ccccc2 34a_100000210217_100000765856 [1,1,0,0,0,0|2,0,0]=4 3925 B17R2.5301 Nc1cccc(c1)SCCc2ccccc2 62a_100000210019_100011218657 [1,1,0,0,0,0|2,0,0]=4 3926 B17R2.5301 Nc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000210019 [1,1,0,0,0,0|2,0,0]=4 3927 B17R2.5301 Nc1cccc(c1)SCCc2ccccn2 62a_100000210019_100015183660 [1,1,0,0,0,0|2,0,0]=4 3928 B17R2.5301 Nc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000210019 [1,1,0,0,0,0|2,0,0]=4 3929 B17R2.5301 Nc1cccc(n1)C=CCc2ccccc2 271570a_200016263579_100000740741 [1,1,0,0,0,0|1,0,1]=4 3930 B17R2.5301 Nc1cccc(n1)SCCc2ccccc2 62a_100000740741_100011218657 [1,1,0,0,0,0|1,0,0]=3 3931 B17R2.5301 Nc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000740741 [1,1,0,0,0,0|1,0,0]=3 3932 B17R2.5301 Nc1cccc(n1)SCCc2ccccn2 62a_100000740741_100015183660 [1,1,0,0,0,0|2,0,0]=4 3933 B17R2.5301 Nc1cccc(n1)SCCc2ccccn2 62a_100015183660_100000740741 [1,1,0,0,0,0|2,0,0]=4 3934 B17R2.5301 Nc1cccc(n1)SCCc2cccnc2 62a_100000740741_200011713674 [1,1,0,0,0,0|2,0,0]=4 3935 B17R2.5301 Nc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000740741 [1,1,0,0,0,0|2,0,0]=4 3936 B17R2.5301 Nc1cccc(n1)SCCc2ccncc2 62a_100000723409_100000740741 [1,1,0,0,0,0|2,0,0]=4 3937 B17R2.5301 Nc1cccc(n1)SCCc2ccncc2 62a_100000740741_100000723409 [1,1,0,0,0,0|2,0,0]=4 3938 B17R2.5301 Nc1cccc(n1)SCSc2ccccc2 62a_100000740741_100011218342 [1,1,0,0,0,0|2,0,0]=4 3939 B17R2.5301 Nc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000740741 [1,1,0,0,0,0|2,0,0]=4 3940 B17R2.5301 Nc1ccnc(c1)C=CCc2ccccc2 271570a_200016263579_100009814236 [1,1,0,0,0,0|1,0,1]=4 3941 B17R2.5301 Nc1ccnc(c1)COCc2ccccc2 34a_100000692640_100015291786 [1,1,0,0,0,0|2,0,0]=4 3942 B17R2.5301 Nc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100009814236 [1,1,0,0,0,0|1,0,0]=3 3943 B17R2.5301 Nc1ccnc(c1)SCCc2ccccc2 62a_100009814236_100011218657 [1,1,0,0,0,0|1,0,0]=3 3944 B17R2.5301 Nc1ccnc(c1)SCCc2ccccn2 62a_100009814236_100015183660 [1,1,0,0,0,0|2,0,0]=4 3945 B17R2.5301 Nc1ccnc(c1)SCCc2ccccn2 62a_100015183660_100009814236 [1,1,0,0,0,0|2,0,0]=4 3946 B17R2.5301 Nc1ccnc(c1)SCCc2cccnc2 62a_100009814236_200011713674 [1,1,0,0,0,0|2,0,0]=4 3947 B17R2.5301 Nc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100009814236 [1,1,0,0,0,0|2,0,0]=4 3948 B17R2.5301 Nc1ccnc(c1)SCCc2ccncc2 62a_100000723409_100009814236 [1,1,0,0,0,0|2,0,0]=4 3949 B17R2.5301 Nc1ccnc(c1)SCCc2ccncc2 62a_100009814236_100000723409 [1,1,0,0,0,0|2,0,0]=4 3950 B17R2.5301 Nc1ccnc(c1)SCSc2ccccc2 62a_100009814236_100011218342 [1,1,0,0,0,0|2,0,0]=4 3951 B17R2.5301 Nc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100009814236 [1,1,0,0,0,0|2,0,0]=4 3952 B17R2.5301 Nc1ccnc(n1)NCCc2ccccc2 27a_100000106460_100000757536 [1,1,0,0,0,0|1,0,0]=3 3953 B17R2.5301 Nc1ccnc(n1)NCCc2ccccn2 27a_100000211156_100000757536 [1,1,0,0,0,0|2,0,0]=4 3954 B17R2.5301 Nc1ccnc(n1)NCCc2cccnc2 27a_100000736294_100000757536 [1,1,0,0,0,0|2,0,0]=4 3955 B17R2.5301 Nc1ccnc(n1)NCCc2ccncc2 27a_100000742849_100000757536 [1,1,0,0,0,0|2,0,0]=4 3956 B17R2.5301 Nc1ccnc(n1)SCCc2ccccc2 62a_100000757536_100011218657 [1,1,0,0,0,0|2,0,0]=4 3957 B17R2.5301 Nc1ccnc(n1)SCCc2ccccc2 62a_100000765856_100000757536 [1,1,0,0,0,0|2,0,0]=4 3958 B17R2.5301 Nc1cncc(n1)SCCc2ccccc2 62a_100000747728_100011218657 [1,1,0,0,0,0|2,0,0]=4 3959 B17R2.5301 Nc1cncc(n1)SCCc2ccccc2 62a_100000765856_100000747728 [1,1,0,0,0,0|2,0,0]=4 3960 B17R2.5301 Nc1cnnc(c1)SCCc2ccccc2 62a_100000765856_100011996757 [1,1,0,0,0,0|2,0,0]=4 3961 B17R2.5301 Nc1cnnc(c1)SCCc2ccccc2 62a_100011996757_100011218657 [1,1,0,0,0,0|2,0,0]=4 3962 B17R2.5301 Nc1nccc(n1)NCCc2ccccc2 27a_100000106460_100000055538 [1,1,0,0,0,0|1,0,0]=3 3963 B17R2.5301 Nc1nccc(n1)NCCc2ccccn2 27a_100000211156_100000055538 [1,1,0,0,0,0|2,0,0]=4 3964 B17R2.5301 Nc1nccc(n1)NCCc2cccnc2 27a_100000736294_100000055538 [1,1,0,0,0,0|2,0,0]=4 3965 B17R2.5301 Nc1nccc(n1)NCCc2ccncc2 27a_100000742849_100000055538 [1,1,0,0,0,0|2,0,0]=4 3966 B17R2.5301 Nc1nccc(n1)SCCc2ccccc2 62a_100000055538_100011218657 [1,1,0,0,0,0|2,0,0]=4 3967 B17R2.5301 Nc1nccc(n1)SCCc2ccccc2 62a_100000765856_100000055538 [1,1,0,0,0,0|2,0,0]=4 3968 B17R2.5301 Nc1ncnc(n1)NCCc2ccccc2 27a_100000106460_100000123831 [1,1,0,0,0,0|2,0,0]=4 3969 B17R2.5301 O=c1cc(cc[nH]1)NCCc2ccccc2 27a_100000106460_100000061649 [1,1,0,0,0,0|2,0,0]=4 3970 B17R2.5301 O=c1cc(nc[nH]1)SCCc2ccccc2 62a_100012002517_100011218657 [1,1,0,0,0,0|2,0,0]=4 3971 B17R2.5301 O=c1cc[nH]c(c1)SCCc2ccccc2 62a_100009817434_100011218657 [1,1,0,0,0,0|1,0,1]=4 3972 B17R2.5301 O=c1cccc([nH]1)OCCc2ccccc2 34a_100000033347_100000765856 [1,1,0,0,0,0|1,0,1]=4 3973 B17R2.5301 O=c1cccc([nH]1)SCCc2ccccc2 62a_100000765856_100000752884 [1,1,0,0,0,0|1,0,1]=4 3974 B17R2.5301 O=c1nc(cc[nH]1)NCCc2ccccc2 27a_100000106460_200000134032 [1,1,0,0,0,0|1,0,0]=3 3975 B17R2.5301 O=c1nc(cc[nH]1)NCCc2ccccn2 27a_100000211156_200000134032 [1,1,0,0,0,0|2,0,0]=4 3976 B17R2.5301 O=c1nc(cc[nH]1)NCCc2cccnc2 27a_100000736294_200000134032 [1,1,0,0,0,0|2,0,0]=4 3977 B17R2.5301 O=c1nc(cc[nH]1)NCCc2ccncc2 27a_100000742849_200000134032 [1,1,0,0,0,0|2,0,0]=4 3978 B17R2.5301 O=c1nc(cc[nH]1)SCCc2ccccc2 62a_100000765856_200000134032 [1,1,0,0,0,0|2,0,0]=4 3979 B17R2.5301 Oc1cc(ncn1)NCCc2ccccc2 27a_100000106460_100000765262 [1,1,0,0,0,0|1,0,0]=3 3980 B17R2.5301 Oc1cc(ncn1)NCCc2ccccn2 27a_100000211156_100000765262 [1,1,0,0,0,0|2,0,0]=4 3981 B17R2.5301 Oc1cc(ncn1)NCCc2cccnc2 27a_100000736294_100000765262 [1,1,0,0,0,0|2,0,0]=4 3982 B17R2.5301 Oc1cc(ncn1)NCCc2ccncc2 27a_100000742849_100000765262 [1,1,0,0,0,0|2,0,0]=4 3983 B17R2.5301 Oc1cc(ncn1)SCCc2ccccc2 62a_100000765856_100000765262 [1,1,0,0,0,0|2,0,0]=4 3984 B17R2.5301 Oc1cccc(c1)C=NNc2ccccn2 4a_100000183288_100000188321 [1,1,0,0,0,0|1,0,1]=4 3985 B17R2.5301 Oc1cccc(c1)CCNc2cccnn2 27a_100000747277_100016991348 [1,1,0,0,0,0|1,0,0]=3 3986 B17R2.5301 Oc1cccc(c1)CCNc2ccncn2 27a_100000747277_100000703185 [1,1,0,0,0,0|1,0,0]=3 3987 B17R2.5301 Oc1cccc(c1)CCNc2cnccn2 27a_100000747277_100000211759 [1,1,0,0,0,0|1,0,0]=3 3988 B17R2.5301 Oc1cccc(c1)CCNc2ncccn2 27a_100000747277_100000211032 [1,1,0,0,0,0|1,0,0]=3 3989 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 207a_100000743036_100000209966 [1,1,0,0,0,0|2,0,0]=4 3990 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 2230a_100000743036_100000721315 [1,1,0,0,0,0|2,0,0]=4 3991 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000188321 [1,1,0,0,0,0|2,0,0]=4 3992 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 270004a_100000743036_100000209966 [1,1,0,0,0,0|2,0,0]=4 3993 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 34a_100000743036_100000721315 [1,1,0,0,0,0|2,0,0]=4 3994 B17R2.5301 Oc1cccc(c1)CSCc2ccccn2 62a_100000721315_100011660834 [1,1,0,0,0,0|2,0,0]=4 3995 B17R2.5301 Oc1cccc(c1)CSCc2ccccn2 62a_100011660834_100000721315 [1,1,0,0,0,0|2,0,0]=4 3996 B17R2.5301 Oc1cccc(c1)NCCc2ccccc2 34a_100000210217_100000765856 [1,1,0,0,0,0|1,0,0]=3 3997 B17R2.5301 Oc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000211634 [1,1,0,0,0,0|2,0,0]=4 3998 B17R2.5301 Oc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000211634 [1,1,0,0,0,0|2,0,0]=4 3999 B17R2.5301 Oc1ccnc(c1)C=CCc2ccccc2 271570a_200016263579_100000762945 [1,1,0,0,0,0|1,0,1]=4 4000 B17R2.5301 Oc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100000762945 [1,1,0,0,0,0|1,0,0]=3 4001 B17R2.5301 Oc1ccnc(c1)SCCc2ccccn2 62a_100015183660_100000762945 [1,1,0,0,0,0|2,0,0]=4 4002 B17R2.5301 Oc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100000762945 [1,1,0,0,0,0|2,0,0]=4 4003 B17R2.5301 Oc1ccnc(c1)SCCc2ccncc2 62a_100000723409_100000762945 [1,1,0,0,0,0|2,0,0]=4 4004 B17R2.5301 Oc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100000762945 [1,1,0,0,0,0|2,0,0]=4 4005 B17R2.5301 Oc1ccnc(n1)NCCc2ccccc2 27a_100000106460_100011649813 [1,1,0,0,0,0|1,0,0]=3 4006 B17R2.5301 Oc1ccnc(n1)NCCc2ccccn2 27a_100000211156_100011649813 [1,1,0,0,0,0|2,0,0]=4 4007 B17R2.5301 Oc1ccnc(n1)NCCc2cccnc2 27a_100000736294_100011649813 [1,1,0,0,0,0|2,0,0]=4 4008 B17R2.5301 Oc1ccnc(n1)NCCc2ccncc2 27a_100000742849_100011649813 [1,1,0,0,0,0|2,0,0]=4 4009 B17R2.5301 Oc1ccnc(n1)SCCc2ccccc2 62a_100000765856_100011649813 [1,1,0,0,0,0|2,0,0]=4 4010 B17R2.5301 Oc1cncc(n1)SCCc2ccccc2 62a_100000765856_100011269956 [1,1,0,0,0,0|2,0,0]=4 4011 B17R2.5301 Oc1cnnc(c1)SCCc2ccccc2 62a_100000765856_200010734679 [1,1,0,0,0,0|2,0,0]=4 4012 B17R2.5301 [O-][n+]1ccnc(c1)NCCc2ccccc2 27a_100000106460_100009880115 [1,1,0,0,0,0|1,0,0]=3 4013 B17R2.5301 [O-][n+]1ccnc(c1)NCCc2ccccn2 27a_100000211156_100009880115 [1,1,0,0,0,0|2,0,0]=4 4014 B17R2.5301 [O-][n+]1ccnc(c1)NCCc2cccnc2 27a_100000736294_100009880115 [1,1,0,0,0,0|2,0,0]=4 4015 B17R2.5301 [O-][n+]1ccnc(c1)NCCc2ccncc2 27a_100000742849_100009880115 [1,1,0,0,0,0|2,0,0]=4 4016 B17R2.5301 [O-][n+]1ccnc(c1)SCCc2ccccc2 62a_100000765856_100009880115 [1,1,0,0,0,0|2,0,0]=4 4017 B17R2.5301 [S]c1cccc(c1)SCCc2ccccc2 62a_100000765856_114929384022 [1,1,0,0,0,0|2,0,0]=4 4018 B17R2.5301 [S]c1cccc(c1)SCCc2ccccc2 62a_114929384022_100011218657 [1,1,0,0,0,0|2,0,0]=4 4019 B17R2.5301 [S]c1cccc(c1)SCCc2ccccn2 62a_100015183660_114929384022 [1,1,0,0,0,0|2,0,0]=4 4020 B17R2.5301 [S]c1cccc(c1)SCCc2ccccn2 62a_114929384022_100015183660 [1,1,0,0,0,0|2,0,0]=4 4021 B17R2.162 C=CC(Sc1ccccn1)c2ccccc2 62a_100011216584_200000085779 [0,1,0,0,1,0|2,0,0]=4 4022 B17R2.162 C=CC(Sc1ccccn1)c2ccccc2 62a_200000085779_100011216584 [0,1,0,0,1,0|2,0,0]=4 4023 B17R2.162 CCC(Nc1cccnn1)c2ccccc2 27a_100000737752_100016991348 [0,1,0,0,1,0|2,0,0]=4 4024 B17R2.162 CCC(Nc1ccncn1)c2ccccc2 27a_100000737752_100000703185 [0,1,0,0,1,0|2,0,0]=4 4025 B17R2.162 CCC(Nc1cnccn1)c2ccccc2 27a_100000737752_100000211759 [0,1,0,0,1,0|2,0,0]=4 4026 B17R2.162 CCC(Nc1ncccn1)c2ccccc2 27a_100000737752_100000211032 [0,1,0,0,1,0|2,0,0]=4 4027 B17R2.162 CCN(Cc1ccccn1)c2ccccc2 2230a_100000210013_100000721315 [0,1,0,0,1,0|2,0,0]=4 4028 B17R2.162 CCN(Cc1ccccn1)c2ccccc2 269982a_100000210013_100000721315 [0,1,0,0,1,0|2,0,0]=4 4029 B17R2.162 CCN(Cc1ccccn1)c2ccccc2 34a_100000210013_100000721315 [0,1,0,0,1,0|2,0,0]=4 4030 B17R2.162 CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200000210301 [0,1,0,0,1,0|2,0,0]=4 4031 B17R2.162 COC(Cc1ccccc1)c2ccccc2 34a_100000246494_200000210301 [0,1,0,0,1,0|1,0,0]=3 4032 B17R2.162 COC(Cc1ccccc1)c2ccccc2 7a_100000246494_200000210301 [0,1,0,0,1,0|1,0,0]=3 4033 B17R2.162 OCC(Nc1cccnn1)c2ccccn2 27a_100015196888_100016991348 [0,1,0,0,1,0|2,0,0]=4 4034 B17R2.162 OCC(Nc1ccncn1)c2ccccn2 27a_100015196888_100000703185 [0,1,0,0,1,0|2,0,0]=4 4035 B17R2.162 OCC(Nc1cnccn1)c2ccccn2 27a_100015196888_100000211759 [0,1,0,0,1,0|2,0,0]=4 4036 B17R2.162 OCC(Nc1ncccn1)c2ccccn2 27a_100015196888_100000211032 [0,1,0,0,1,0|2,0,0]=4 4037 B17R2.162 OC[C@@H](Nc1cccnn1)c2ccccc2 27a_100000751927_100016991348 [0,1,0,0,1,0|1,0,0]=3 4038 B17R2.162 OC[C@@H](Nc1cccnn1)c2ccncc2 27a_100138412524_100016991348 [0,1,0,0,1,0|2,0,0]=4 4039 B17R2.162 OC[C@@H](Nc1ccncn1)c2ccccc2 27a_100000751927_100000703185 [0,1,0,0,1,0|1,0,0]=3 4040 B17R2.162 OC[C@@H](Nc1ccncn1)c2ccncc2 27a_100138412524_100000703185 [0,1,0,0,1,0|2,0,0]=4 4041 B17R2.162 OC[C@@H](Nc1cnccn1)c2ccccc2 27a_100000751927_100000211759 [0,1,0,0,1,0|1,0,0]=3 4042 B17R2.162 OC[C@@H](Nc1cnccn1)c2ccncc2 27a_100138412524_100000211759 [0,1,0,0,1,0|2,0,0]=4 4043 B17R2.162 OC[C@@H](Nc1ncccn1)c2ccccc2 27a_100000751927_100000211032 [0,1,0,0,1,0|1,0,0]=3 4044 B17R2.162 OC[C@@H](Nc1ncccn1)c2ccncc2 27a_100138412524_100000211032 [0,1,0,0,1,0|2,0,0]=4 4045 B17R2.162 [13CH3]NC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200025704644 [0,1,0,0,1,0|2,0,0]=4 4046 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 34a_100000246494_200025704644 [0,1,0,0,1,0|1,0,0]=3 4047 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 7a_100000246494_200025704644 [0,1,0,0,1,0|1,0,0]=3 4048 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)Br 34a_100000106764_100000755118 [0,1,0,0,1,0|2,0,0]=4 4049 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)F 34a_100000106764_100000743420 [0,1,0,0,1,0|2,0,0]=4 4050 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Br 62a_100000755118_100011216584 [0,1,0,0,1,0|2,0,0]=4 4051 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Br 62a_100011216584_100000755118 [0,1,0,0,1,0|2,0,0]=4 4052 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Cl 62a_100000684792_100011216584 [0,1,0,0,1,0|2,0,0]=4 4053 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Cl 62a_100011216584_100000684792 [0,1,0,0,1,0|2,0,0]=4 4054 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)F 62a_100000743420_100011216584 [0,1,0,0,1,0|2,0,0]=4 4055 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)F 62a_100011216584_100000743420 [0,1,0,0,1,0|2,0,0]=4 4056 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000219623_100000721315 [0,1,0,0,1,0|2,0,0]=4 4057 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000238286_200000210301 [0,1,0,0,1,0|2,0,0]=4 4058 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000219623_100000721315 [0,1,0,0,1,0|2,0,0]=4 4059 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000238286_200000210301 [0,1,0,0,1,0|2,0,0]=4 4060 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 34a_100000219623_100000721315 [0,1,0,0,1,0|2,0,0]=4 4061 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 34a_100000238286_200000210301 [0,1,0,0,1,0|2,0,0]=4 4062 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100000742532_200000210301 [0,1,0,0,1,0|2,0,0]=4 4063 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100020629279_100000721315 [0,1,0,0,1,0|2,0,0]=4 4064 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100000742532_200000210301 [0,1,0,0,1,0|2,0,0]=4 4065 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100020629279_100000721315 [0,1,0,0,1,0|2,0,0]=4 4066 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 34a_100000742532_200000210301 [0,1,0,0,1,0|2,0,0]=4 4067 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 34a_100020629279_100000721315 [0,1,0,0,1,0|2,0,0]=4 4068 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)F 2230a_100000219829_100000721315 [0,1,0,0,1,0|2,0,0]=4 4069 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)F 269982a_100000219829_100000721315 [0,1,0,0,1,0|2,0,0]=4 4070 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)F 34a_100000219829_100000721315 [0,1,0,0,1,0|2,0,0]=4 4071 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)I 2230a_100000743151_100000721315 [0,1,0,0,1,0|2,0,0]=4 4072 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)I 269982a_100000743151_100000721315 [0,1,0,0,1,0|2,0,0]=4 4073 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)I 34a_100000743151_100000721315 [0,1,0,0,1,0|2,0,0]=4 4074 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)O 269982a_100000182112_100000721315 [0,1,0,0,1,0|2,0,0]=4 4075 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)O 34a_100000182112_100000721315 [0,1,0,0,1,0|2,0,0]=4 4076 B17R2.192 C[C@@H](Nc1cccnn1)c2ccc(cc2)Br 27a_100000720352_100016991348 [0,1,0,0,1,0|2,0,0]=4 4077 B17R2.192 C[C@@H](Nc1cccnn1)c2ccc(cc2)Cl 27a_100015205461_100016991348 [0,1,0,0,1,0|2,0,0]=4 4078 B17R2.192 C[C@@H](Nc1ccncn1)c2ccc(cc2)Br 27a_100000720352_100000703185 [0,1,0,0,1,0|2,0,0]=4 4079 B17R2.192 C[C@@H](Nc1ccncn1)c2ccc(cc2)Cl 27a_100015205461_100000703185 [0,1,0,0,1,0|2,0,0]=4 4080 B17R2.192 C[C@@H](Nc1cnccn1)c2ccc(cc2)Br 27a_100000720352_100000211759 [0,1,0,0,1,0|2,0,0]=4 4081 B17R2.192 C[C@@H](Nc1cnccn1)c2ccc(cc2)Cl 27a_100015205461_100000211759 [0,1,0,0,1,0|2,0,0]=4 4082 B17R2.192 C[C@@H](Nc1ncccn1)c2ccc(cc2)Br 27a_100000720352_100000211032 [0,1,0,0,1,0|2,0,0]=4 4083 B17R2.192 C[C@@H](Nc1ncccn1)c2ccc(cc2)Cl 27a_100015205461_100000211032 [0,1,0,0,1,0|2,0,0]=4 4084 B17R2.192 C[C@H](Nc1cccnn1)c2ccc(cc2)F 27a_100025705893_100016991348 [0,1,0,0,1,0|2,0,0]=4 4085 B17R2.192 C[C@H](Nc1cccnn1)c2ccc(cc2)I 27a_100000753911_100016991348 [0,1,0,0,1,0|2,0,0]=4 4086 B17R2.192 C[C@H](Nc1cccnn1)c2ccc(cc2)O 27a_100161106496_100016991348 [0,1,0,0,1,0|2,0,0]=4 4087 B17R2.192 C[C@H](Nc1ccncn1)c2ccc(cc2)F 27a_100025705893_100000703185 [0,1,0,0,1,0|2,0,0]=4 4088 B17R2.192 C[C@H](Nc1ccncn1)c2ccc(cc2)I 27a_100000753911_100000703185 [0,1,0,0,1,0|2,0,0]=4 4089 B17R2.192 C[C@H](Nc1ccncn1)c2ccc(cc2)O 27a_100161106496_100000703185 [0,1,0,0,1,0|2,0,0]=4 4090 B17R2.192 C[C@H](Nc1cnccn1)c2ccc(cc2)F 27a_100025705893_100000211759 [0,1,0,0,1,0|2,0,0]=4 4091 B17R2.192 C[C@H](Nc1cnccn1)c2ccc(cc2)I 27a_100000753911_100000211759 [0,1,0,0,1,0|2,0,0]=4 4092 B17R2.192 C[C@H](Nc1cnccn1)c2ccc(cc2)O 27a_100161106496_100000211759 [0,1,0,0,1,0|2,0,0]=4 4093 B17R2.192 C[C@H](Nc1ncccn1)c2ccc(cc2)F 27a_100025705893_100000211032 [0,1,0,0,1,0|2,0,0]=4 4094 B17R2.192 C[C@H](Nc1ncccn1)c2ccc(cc2)I 27a_100000753911_100000211032 [0,1,0,0,1,0|2,0,0]=4 4095 B17R2.192 C[C@H](Nc1ncccn1)c2ccc(cc2)O 27a_100161106496_100000211032 [0,1,0,0,1,0|2,0,0]=4 4096 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccn2 1458a_100000188618_100000721315 [0,1,0,0,1,0|0,0,2]=4 4097 B17R2.192 Cc1ccc(cc1)C(C)Nc2ccccc2 34a_100000106764_100011261388 [0,1,0,0,1,0|2,0,0]=4 4098 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccn2 62a_100011216584_100011261388 [0,1,0,0,1,0|2,0,0]=4 4099 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccn2 62a_100011261388_100011216584 [0,1,0,0,1,0|2,0,0]=4 4100 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccn2 2230a_100000219977_100000721315 [0,1,0,0,1,0|2,0,0]=4 4101 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccn2 269982a_100000219977_100000721315 [0,1,0,0,1,0|2,0,0]=4 4102 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccn2 34a_100000219977_100000721315 [0,1,0,0,1,0|2,0,0]=4 4103 B17R2.192 Cc1ccc(cc1)[C@@H](C)Nc2cccnn2 27a_100016988085_100016991348 [0,1,0,0,1,0|2,0,0]=4 4104 B17R2.192 Cc1ccc(cc1)[C@@H](C)Nc2ccncn2 27a_100016988085_100000703185 [0,1,0,0,1,0|2,0,0]=4 4105 B17R2.192 Cc1ccc(cc1)[C@@H](C)Nc2cnccn2 27a_100016988085_100000211759 [0,1,0,0,1,0|2,0,0]=4 4106 B17R2.192 Cc1ccc(cc1)[C@@H](C)Nc2ncccn2 27a_100016988085_100000211032 [0,1,0,0,1,0|2,0,0]=4 4107 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)Br 1458a_100000185839_100000721315 [0,1,0,0,1,0|0,0,2]=4 4108 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)Cl 1458a_100000210187_100000721315 [0,1,0,0,1,0|0,0,2]=4 4109 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)F 1458a_100000187176_100000721315 [0,1,0,0,1,0|0,0,2]=4 4110 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)I 1458a_100000187904_100000721315 [0,1,0,0,1,0|0,0,2]=4 4111 B17R2.192 O=C(Cc1ccccn1)c2ccc(cc2)O 1458a_100000212099_100000721315 [0,1,0,0,1,0|0,0,2]=4 4112 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000238286_200025704644 [0,1,0,0,1,0|2,0,0]=4 4113 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000238286_200025704644 [0,1,0,0,1,0|2,0,0]=4 4114 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Br 34a_100000238286_200025704644 [0,1,0,0,1,0|2,0,0]=4 4115 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100000742532_200025704644 [0,1,0,0,1,0|2,0,0]=4 4116 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100000742532_200025704644 [0,1,0,0,1,0|2,0,0]=4 4117 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Cl 34a_100000742532_200025704644 [0,1,0,0,1,0|2,0,0]=4 4118 B17R2.209 CC(Cc1ccc(=O)[nH]n1)c2ccccc2 271570a_100000062452_100009820020 [0,1,0,0,1,0|2,0,0]=4 4119 B17R2.209 CC(Cc1ccc(cc1)Br)c2ccccc2 271570a_100000062452_100000752885 [0,1,0,0,1,0|2,0,0]=4 4120 B17R2.209 CC(Cc1ccc(cc1)Cl)c2ccccc2 271570a_100000062452_100000755918 [0,1,0,0,1,0|2,0,0]=4 4121 B17R2.209 CC(Cc1ccc(cc1)F)c2ccccc2 271570a_100000062452_100000211213 [0,1,0,0,1,0|2,0,0]=4 4122 B17R2.209 CC(Cc1ccc(cc1)N)c2ccccc2 271570a_100000062452_100000185761 [0,1,0,0,1,0|2,0,0]=4 4123 B17R2.209 CC(Cc1ccc(cc1)O)c2ccccc2 271570a_100000062452_100000185759 [0,1,0,0,1,0|2,0,0]=4 4124 B17R2.209 CC(Cc1ccc(cn1)Br)c2ccccc2 271570a_100000062452_100000686858 [0,1,0,0,1,0|1,0,0]=3 4125 B17R2.209 CC(Cc1ccc(cn1)Cl)c2ccccc2 271570a_100000062452_100011356976 [0,1,0,0,1,0|1,0,0]=3 4126 B17R2.209 CC(Cc1ccc(cn1)F)c2ccccc2 271570a_100000062452_100000744514 [0,1,0,0,1,0|1,0,0]=3 4127 B17R2.209 CC(Cc1ccc(cn1)N)c2ccccc2 271570a_100000062452_100000744251 [0,1,0,0,1,0|1,0,0]=3 4128 B17R2.209 CC(Cc1ccc(cn1)O)c2ccccc2 271570a_100000062452_100000685995 [0,1,0,0,1,0|1,0,0]=3 4129 B17R2.209 CC(Cc1ccc(nn1)N)c2ccccc2 271570a_100000062452_100009816609 [0,1,0,0,1,0|2,0,0]=4 4130 B17R2.209 CC(Cc1cnc(cn1)F)c2ccccc2 271570a_100000062452_100009856528 [0,1,0,0,1,0|2,0,0]=4 4131 B17R2.209 CC(Cc1cnc(cn1)N)c2ccccc2 271570a_100000062452_100000761932 [0,1,0,0,1,0|2,0,0]=4 4132 B17R2.209 CC(Cc1ncc(cn1)Br)c2ccccc2 271570a_100000062452_100000690281 [0,1,0,0,1,0|2,0,0]=4 4133 B17R2.209 CC(Cc1ncc(cn1)Cl)c2ccccc2 271570a_100000062452_100011356929 [0,1,0,0,1,0|2,0,0]=4 4134 B17R2.209 CC(Cc1ncc(cn1)F)c2ccccc2 271570a_100000062452_100000685220 [0,1,0,0,1,0|2,0,0]=4 4135 B17R2.209 CC(Cc1ncc(cn1)N)c2ccccc2 271570a_100000062452_100000068403 [0,1,0,0,1,0|2,0,0]=4 4136 B17R2.209 CC(Cc1ncc(cn1)O)c2ccccc2 271570a_100000062452_100000730009 [0,1,0,0,1,0|2,0,0]=4 4137 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000230085 [0,1,0,0,1,0|2,0,0]=4 4138 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000211855 [0,1,0,0,1,0|2,0,0]=4 4139 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000230085 [0,1,0,0,1,0|2,0,0]=4 4140 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000211855 [0,1,0,0,1,0|2,0,0]=4 4141 B17R2.209 CC(Nc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000211855 [0,1,0,0,1,0|2,0,0]=4 4142 B17R2.209 CC(Nc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000211855 [0,1,0,0,1,0|2,0,0]=4 4143 B17R2.209 CC(Nc1ccc(cc1)O)c2ccccc2 34a_100000185829_100000211855 [0,1,0,0,1,0|2,0,0]=4 4144 B17R2.209 CC(Nc1ccc(cn1)Br)c2ccccn2 27a_100000181244_100000686858 [0,1,0,0,1,0|2,0,0]=4 4145 B17R2.209 CC(Nc1ccc(cn1)Br)c2cccnc2 27a_100000195435_100000686858 [0,1,0,0,1,0|2,0,0]=4 4146 B17R2.209 CC(Nc1ccc(cn1)Br)c2ccncc2 27a_100000181269_100000686858 [0,1,0,0,1,0|2,0,0]=4 4147 B17R2.209 CC(Nc1ccc(nn1)O)c2ccccc2 271570a_203496583355_100000215341 [0,1,0,0,1,0|2,0,0]=4 4148 B17R2.209 CC(Oc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100000211855 [0,1,0,0,1,0|2,0,0]=4 4149 B17R2.209 CC(Oc1ccc(cn1)F)c2ccccc2 34a_100000742473_100000211855 [0,1,0,0,1,0|2,0,0]=4 4150 B17R2.209 CC(Oc1ccc(cn1)N)c2ccccc2 34a_100000729260_100000211855 [0,1,0,0,1,0|2,0,0]=4 4151 B17R2.209 CC(Sc1ccc(cn1)Br)c2ccccc2 62a_100000230085_100000686858 [0,1,0,0,1,0|2,0,0]=4 4152 B17R2.209 CC(Sc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000230085 [0,1,0,0,1,0|2,0,0]=4 4153 B17R2.209 CC(Sc1ccc(cn1)Cl)c2ccccc2 62a_100000230085_100011356976 [0,1,0,0,1,0|2,0,0]=4 4154 B17R2.209 CC(Sc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000230085 [0,1,0,0,1,0|2,0,0]=4 4155 B17R2.209 CC(Sc1ccc(cn1)F)c2ccccc2 62a_100000230085_100000744514 [0,1,0,0,1,0|2,0,0]=4 4156 B17R2.209 CC(Sc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000230085 [0,1,0,0,1,0|2,0,0]=4 4157 B17R2.209 CC(Sc1ccc(cn1)N)c2ccccc2 62a_100000230085_100000737798 [0,1,0,0,1,0|2,0,0]=4 4158 B17R2.209 CC(Sc1ccc(cn1)N)c2ccccc2 62a_100000737798_100000230085 [0,1,0,0,1,0|2,0,0]=4 4159 B17R2.209 CC(Sc1ccc(cn1)O)c2ccccc2 62a_100000230085_100000744096 [0,1,0,0,1,0|2,0,0]=4 4160 B17R2.209 CC(Sc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000230085 [0,1,0,0,1,0|2,0,0]=4 4161 B17R2.209 CN(Cc1ccc(cn1)Br)c2ccccc2 2230a_100000210012_100000702658 [0,1,0,0,1,0|2,0,0]=4 4162 B17R2.209 CN(Cc1ccc(cn1)Br)c2ccccc2 269982a_100000210012_100000702658 [0,1,0,0,1,0|2,0,0]=4 4163 B17R2.209 CN(Cc1ccc(cn1)Br)c2ccccc2 34a_100000210012_100000702658 [0,1,0,0,1,0|2,0,0]=4 4164 B17R2.209 CN(Cc1ccc(cn1)Cl)c2ccccc2 2230a_100000210012_100012066911 [0,1,0,0,1,0|2,0,0]=4 4165 B17R2.209 CN(Cc1ccc(cn1)Cl)c2ccccc2 269982a_100000210012_100000697101 [0,1,0,0,1,0|2,0,0]=4 4166 B17R2.209 CN(Cc1ccc(cn1)Cl)c2ccccc2 34a_100000210012_100012066911 [0,1,0,0,1,0|2,0,0]=4 4167 B17R2.209 CN(Cc1ccc(cn1)F)c2ccccc2 2230a_100000210012_100000703193 [0,1,0,0,1,0|2,0,0]=4 4168 B17R2.209 CN(Cc1ccc(cn1)F)c2ccccc2 269982a_100000210012_100000703193 [0,1,0,0,1,0|2,0,0]=4 4169 B17R2.209 CN(Cc1ccc(cn1)F)c2ccccc2 34a_100000210012_100000703193 [0,1,0,0,1,0|2,0,0]=4 4170 B17R2.209 C[C@@H](Nc1ccc(cn1)Br)c2ccccc2 27a_100000751104_100000686858 [0,1,0,0,1,0|1,0,0]=3 4171 B17R2.209 C[C@@H](Nc1cnc(cn1)Br)c2ccccc2 27a_100000751104_100010187541 [0,1,0,0,1,0|2,0,0]=4 4172 B17R2.209 C[C@@H](Nc1cnc(cn1)F)c2ccccc2 27a_100000751104_100009856528 [0,1,0,0,1,0|2,0,0]=4 4173 B17R2.209 C[C@@H](Nc1ncc(cn1)Br)c2ccccc2 27a_100000751104_100000690281 [0,1,0,0,1,0|2,0,0]=4 4174 B17R2.209 C[C@@H](Nc1ncc(cn1)Cl)c2ccccc2 27a_100000751104_100011356929 [0,1,0,0,1,0|2,0,0]=4 4175 B17R2.209 C[C@@H](Nc1ncc(cn1)F)c2ccccc2 27a_100000751104_100000685220 [0,1,0,0,1,0|2,0,0]=4 4176 B17R2.209 Cc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000186775 [0,1,0,0,1,0|2,0,0]=4 4177 B17R2.209 Cc1ccc(cc1)NC(C)c2ccccc2 34a_100000124888_100000211855 [0,1,0,0,1,0|2,0,0]=4 4178 B17R2.209 Cc1ccc(nc1)CC(=O)c2ccccc2 1458a_100000185807_100000691093 [0,1,0,0,1,0|0,0,2]=4 4179 B17R2.209 Cc1ccc(nc1)CC(C)c2ccccc2 271570a_100000062452_100000754016 [0,1,0,0,1,0|1,0,0]=3 4180 B17R2.209 Cc1ccc(nc1)CN(C)c2ccccc2 2230a_100000210012_100000691093 [0,1,0,0,1,0|2,0,0]=4 4181 B17R2.209 Cc1ccc(nc1)CN(C)c2ccccc2 269982a_100000210012_100000691093 [0,1,0,0,1,0|2,0,0]=4 4182 B17R2.209 Cc1ccc(nc1)CN(C)c2ccccc2 34a_100000210012_100000691093 [0,1,0,0,1,0|2,0,0]=4 4183 B17R2.209 Cc1ccc(nc1)OC(C)c2ccccc2 34a_100000759353_100000211855 [0,1,0,0,1,0|2,0,0]=4 4184 B17R2.209 Cc1ccc(nc1)SC(C)c2ccccc2 62a_100000230085_100000754016 [0,1,0,0,1,0|2,0,0]=4 4185 B17R2.209 Cc1ccc(nc1)SC(C)c2ccccc2 62a_100011192072_100000230085 [0,1,0,0,1,0|2,0,0]=4 4186 B17R2.209 Cc1ccc(nn1)CC(C)c2ccccc2 271570a_100000062452_100011450037 [0,1,0,0,1,0|2,0,0]=4 4187 B17R2.209 Cc1ccc(nn1)N[C@H](C)c2ccccc2 27a_100000751104_100000744512 [0,1,0,0,1,0|2,0,0]=4 4188 B17R2.209 Cc1cnc(cn1)CC(C)c2ccccc2 271570a_100000062452_100011999403 [0,1,0,0,1,0|2,0,0]=4 4189 B17R2.209 Cc1cnc(cn1)N[C@H](C)c2ccccc2 27a_100000751104_100000074397 [0,1,0,0,1,0|2,0,0]=4 4190 B17R2.209 Cc1cnc(nc1)CC(C)c2ccccc2 271570a_100000062452_100011825175 [0,1,0,0,1,0|2,0,0]=4 4191 B17R2.209 Cc1cnc(nc1)N[C@H](C)c2ccccc2 27a_100000751104_100000061069 [0,1,0,0,1,0|2,0,0]=4 4192 B17R2.209 O=C(Cc1ccc(cn1)Br)c2ccccc2 1458a_100000185807_100000702658 [0,1,0,0,1,0|0,0,2]=4 4193 B17R2.209 O=C(Cc1ccc(cn1)Cl)c2ccccc2 1458a_100000185807_100012066911 [0,1,0,0,1,0|0,0,2]=4 4194 B17R2.209 O=C(Cc1ccc(cn1)F)c2ccccc2 1458a_100000185807_100000703193 [0,1,0,0,1,0|0,0,2]=4 4195 B17R2.3417 CC(Nc1ccccc1)c2ccccc2F 34a_100000106764_200000741388 [0,1,0,0,1,0|2,0,0]=4 4196 B17R2.3417 CC(Nc1cccnn1)c2ccccc2Br 27a_100000181357_100016991348 [0,1,0,0,1,0|2,0,0]=4 4197 B17R2.3417 CC(Nc1cccnn1)c2ccccc2Cl 27a_100000174978_100016991348 [0,1,0,0,1,0|2,0,0]=4 4198 B17R2.3417 CC(Nc1cccnn1)c2ccccc2F 27a_100000181408_100016991348 [0,1,0,0,1,0|2,0,0]=4 4199 B17R2.3417 CC(Nc1ccncn1)c2ccccc2Br 27a_100000181357_100000703185 [0,1,0,0,1,0|2,0,0]=4 4200 B17R2.3417 CC(Nc1ccncn1)c2ccccc2Cl 27a_100000174978_100000703185 [0,1,0,0,1,0|2,0,0]=4 4201 B17R2.3417 CC(Nc1ccncn1)c2ccccc2F 27a_100000181408_100000703185 [0,1,0,0,1,0|2,0,0]=4 4202 B17R2.3417 CC(Nc1cnccn1)c2ccccc2Br 27a_100000181357_100000211759 [0,1,0,0,1,0|2,0,0]=4 4203 B17R2.3417 CC(Nc1cnccn1)c2ccccc2Cl 27a_100000174978_100000211759 [0,1,0,0,1,0|2,0,0]=4 4204 B17R2.3417 CC(Nc1cnccn1)c2ccccc2F 27a_100000181408_100000211759 [0,1,0,0,1,0|2,0,0]=4 4205 B17R2.3417 CC(Nc1ncccn1)c2ccccc2Br 27a_100000181357_100000211032 [0,1,0,0,1,0|2,0,0]=4 4206 B17R2.3417 CC(Nc1ncccn1)c2ccccc2Cl 27a_100000174978_100000211032 [0,1,0,0,1,0|2,0,0]=4 4207 B17R2.3417 CC(Nc1ncccn1)c2ccccc2F 27a_100000181408_100000211032 [0,1,0,0,1,0|2,0,0]=4 4208 B17R2.3417 CC(Sc1ccccn1)c2ccccc2Cl 62a_100000181259_100011216584 [0,1,0,0,1,0|2,0,0]=4 4209 B17R2.3417 CC(Sc1ccccn1)c2ccccc2Cl 62a_100011216584_100000181259 [0,1,0,0,1,0|2,0,0]=4 4210 B17R2.3417 CC(Sc1ccccn1)c2ccccc2F 62a_100011216584_200000741388 [0,1,0,0,1,0|2,0,0]=4 4211 B17R2.3417 CC(Sc1ccccn1)c2ccccc2F 62a_200000741388_100011216584 [0,1,0,0,1,0|2,0,0]=4 4212 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Br 2230a_100020606079_100000721315 [0,1,0,0,1,0|2,0,0]=4 4213 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Br 269982a_100020606079_100000721315 [0,1,0,0,1,0|2,0,0]=4 4214 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Br 34a_100020606079_100000721315 [0,1,0,0,1,0|2,0,0]=4 4215 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Cl 2230a_100000219374_100000721315 [0,1,0,0,1,0|2,0,0]=4 4216 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Cl 269982a_100000219374_100000721315 [0,1,0,0,1,0|2,0,0]=4 4217 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Cl 34a_100000219374_100000721315 [0,1,0,0,1,0|2,0,0]=4 4218 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 2230a_100000220357_100000721315 [0,1,0,0,1,0|2,0,0]=4 4219 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 269982a_100000220357_100000721315 [0,1,0,0,1,0|2,0,0]=4 4220 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 34a_100000220357_100000721315 [0,1,0,0,1,0|2,0,0]=4 4221 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 38a_100000220357_100000721315 [0,1,0,0,1,0|2,0,0]=4 4222 B17R2.3417 CN(Cc1ccccn1)c2ccccc2O 269982a_100000033821_100000721315 [0,1,0,0,1,0|2,0,0]=4 4223 B17R2.3417 C[C@@H](Nc1cccnn1)c2ccccc2O 27a_100025703389_100016991348 [0,1,0,0,1,0|2,0,0]=4 4224 B17R2.3417 C[C@@H](Nc1ccncn1)c2ccccc2O 27a_100025703389_100000703185 [0,1,0,0,1,0|2,0,0]=4 4225 B17R2.3417 C[C@@H](Nc1cnccn1)c2ccccc2O 27a_100025703389_100000211759 [0,1,0,0,1,0|2,0,0]=4 4226 B17R2.3417 C[C@@H](Nc1ncccn1)c2ccccc2O 27a_100025703389_100000211032 [0,1,0,0,1,0|2,0,0]=4 4227 B17R2.3417 Cc1ccccc1C(=O)Cc2ccccn2 1458a_100000212026_100000721315 [0,1,0,0,1,0|0,0,2]=4 4228 B17R2.3417 Cc1ccccc1C(C)Nc2cccnn2 27a_100000181355_100016991348 [0,1,0,0,1,0|2,0,0]=4 4229 B17R2.3417 Cc1ccccc1C(C)Nc2ccncn2 27a_100000181355_100000703185 [0,1,0,0,1,0|2,0,0]=4 4230 B17R2.3417 Cc1ccccc1C(C)Nc2cnccn2 27a_100000181355_100000211759 [0,1,0,0,1,0|2,0,0]=4 4231 B17R2.3417 Cc1ccccc1C(C)Nc2ncccn2 27a_100000181355_100000211032 [0,1,0,0,1,0|2,0,0]=4 4232 B17R2.3417 Cc1ccccc1N(C)Cc2ccccn2 2230a_100000219699_100000721315 [0,1,0,0,1,0|2,0,0]=4 4233 B17R2.3417 Cc1ccccc1N(C)Cc2ccccn2 269982a_100000219699_100000721315 [0,1,0,0,1,0|2,0,0]=4 4234 B17R2.3417 Cc1ccccc1N(C)Cc2ccccn2 34a_100000219699_100000721315 [0,1,0,0,1,0|2,0,0]=4 4235 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2Br 1458a_100000188424_100000721315 [0,1,0,0,1,0|0,0,2]=4 4236 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2Cl 1458a_100000185844_100000721315 [0,1,0,0,1,0|0,0,2]=4 4237 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2F 1458a_100000188656_100000721315 [0,1,0,0,1,0|0,0,2]=4 4238 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2I 1458a_100000187884_100000721315 [0,1,0,0,1,0|0,0,2]=4 4239 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2O 1458a_100015234032_100000721315 [0,1,0,0,1,0|0,0,2]=4 4240 B17R2.3417 O=C(Cc1ccccn1)c2ccccc2[O-] 1458a_100009911694_100000721315 [0,1,0,0,1,0|0,0,2]=4 4241 B17R2.3426 CC(Cc1cccc[n+]1C)c2ccccc2 271570a_100000062452_100000212160 [0,1,0,0,1,0|1,0,1]=4 4242 B17R2.3426 CC(Cc1cccc[n+]1[O-])c2ccccc2 271570a_100000062452_200000042595 [0,1,0,0,1,0|1,0,1]=4 4243 B17R2.3426 CC(Cc1ccccc1Br)c2ccccc2 271570a_100000062452_100000695589 [0,1,0,0,1,0|2,0,0]=4 4244 B17R2.3426 CC(Cc1ccccc1Cl)c2ccccc2 271570a_100000062452_100000764095 [0,1,0,0,1,0|2,0,0]=4 4245 B17R2.3426 CC(Cc1ccccc1F)c2ccccc2 271570a_100000062452_100011215700 [0,1,0,0,1,0|2,0,0]=4 4246 B17R2.3426 CC(Cc1ccccc1N)c2ccccc2 271570a_100000062452_100000210017 [0,1,0,0,1,0|2,0,0]=4 4247 B17R2.3426 CC(Cc1ccccc1O)c2ccccc2 271570a_100000062452_100000739446 [0,1,0,0,1,0|2,0,0]=4 4248 B17R2.3426 CC(Cc1ncc[nH]c1=O)c2ccccc2 271570a_100000062452_100000763361 [0,1,0,0,1,0|2,0,0]=4 4249 B17R2.3426 CC(Cc1ncccc1Br)c2ccccc2 271570a_100000062452_100000696092 [0,1,0,0,1,0|1,0,0]=3 4250 B17R2.3426 CC(Cc1ncccc1Cl)c2ccccc2 271570a_100000062452_100011356963 [0,1,0,0,1,0|1,0,0]=3 4251 B17R2.3426 CC(Cc1ncccc1F)c2ccccc2 271570a_100000062452_100000685392 [0,1,0,0,1,0|1,0,0]=3 4252 B17R2.3426 CC(Cc1ncccc1N)c2ccccc2 271570a_100000062452_100000688686 [0,1,0,0,1,0|1,0,0]=3 4253 B17R2.3426 CC(Cc1ncccc1O)c2ccccc2 271570a_100000062452_100000034122 [0,1,0,0,1,0|1,0,0]=3 4254 B17R2.3426 CC(Cc1nccnc1F)c2ccccc2 271570a_100000062452_200010125657 [0,1,0,0,1,0|2,0,0]=4 4255 B17R2.3426 CC(Cc1nccnc1N)c2ccccc2 271570a_100000062452_100000747729 [0,1,0,0,1,0|2,0,0]=4 4256 B17R2.3426 CC(Cc1ncncc1F)c2ccccc2 271570a_100000062452_100000069762 [0,1,0,0,1,0|2,0,0]=4 4257 B17R2.3426 CC(Cc1ncncc1N)c2ccccc2 271570a_100000062452_100000709731 [0,1,0,0,1,0|2,0,0]=4 4258 B17R2.3426 CC(Nc1ccccc1Br)c2ccccc2 34a_100000210017_100000211855 [0,1,0,0,1,0|2,0,0]=4 4259 B17R2.3426 CC(Nc1ccccc1Cl)c2ccccc2 34a_100000185783_100000211855 [0,1,0,0,1,0|2,0,0]=4 4260 B17R2.3426 CC(Nc1ccccc1F)c2ccccc2 34a_100000210422_100000211855 [0,1,0,0,1,0|2,0,0]=4 4261 B17R2.3426 CC(Nc1ccccc1I)c2ccccc2 34a_100000210053_100000211855 [0,1,0,0,1,0|2,0,0]=4 4262 B17R2.3426 CC(Nc1ccccc1O)c2ccccc2 34a_100000185747_100000211855 [0,1,0,0,1,0|2,0,0]=4 4263 B17R2.3426 CC(Nc1ncccc1Br)c2ccccn2 27a_100000181244_100000696092 [0,1,0,0,1,0|2,0,0]=4 4264 B17R2.3426 CC(Nc1ncccc1Br)c2cccnc2 27a_100000195435_100000696092 [0,1,0,0,1,0|2,0,0]=4 4265 B17R2.3426 CC(Nc1ncccc1Br)c2ccncc2 27a_100000181269_100000696092 [0,1,0,0,1,0|2,0,0]=4 4266 B17R2.3426 CC(Oc1ncccc1Cl)c2ccccc2 34a_100011290957_100000211855 [0,1,0,0,1,0|2,0,0]=4 4267 B17R2.3426 CC(Oc1ncccc1F)c2ccccc2 34a_100011219419_100000211855 [0,1,0,0,1,0|2,0,0]=4 4268 B17R2.3426 CC(Oc1ncccc1N)c2ccccc2 34a_100000746358_100000211855 [0,1,0,0,1,0|2,0,0]=4 4269 B17R2.3426 CC(Sc1ncccc1Br)c2ccccc2 62a_100000230085_100000696092 [0,1,0,0,1,0|2,0,0]=4 4270 B17R2.3426 CC(Sc1ncccc1Br)c2ccccc2 62a_100000696092_100000230085 [0,1,0,0,1,0|2,0,0]=4 4271 B17R2.3426 CC(Sc1ncccc1Cl)c2ccccc2 62a_100000230085_100011356963 [0,1,0,0,1,0|2,0,0]=4 4272 B17R2.3426 CC(Sc1ncccc1Cl)c2ccccc2 62a_100011356963_100000230085 [0,1,0,0,1,0|2,0,0]=4 4273 B17R2.3426 CC(Sc1ncccc1F)c2ccccc2 62a_100000230085_100000685392 [0,1,0,0,1,0|2,0,0]=4 4274 B17R2.3426 CC(Sc1ncccc1F)c2ccccc2 62a_100000685392_100000230085 [0,1,0,0,1,0|2,0,0]=4 4275 B17R2.3426 CC(Sc1ncccc1N)c2ccccc2 62a_100000230085_100000688686 [0,1,0,0,1,0|2,0,0]=4 4276 B17R2.3426 CC(Sc1ncccc1N)c2ccccc2 62a_100000688686_100000230085 [0,1,0,0,1,0|2,0,0]=4 4277 B17R2.3426 CC(Sc1ncccc1O)c2ccccc2 62a_100000034122_100000230085 [0,1,0,0,1,0|2,0,0]=4 4278 B17R2.3426 CC(Sc1ncccc1O)c2ccccc2 62a_100000230085_100000034122 [0,1,0,0,1,0|2,0,0]=4 4279 B17R2.3426 CN(Cc1ncccc1Br)c2ccccc2 2230a_100000210012_100025702911 [0,1,0,0,1,0|2,0,0]=4 4280 B17R2.3426 CN(Cc1ncccc1Br)c2ccccc2 34a_100000210012_100025702911 [0,1,0,0,1,0|2,0,0]=4 4281 B17R2.3426 CN(Cc1ncccc1Cl)c2ccccc2 2230a_100000210012_100000099807 [0,1,0,0,1,0|2,0,0]=4 4282 B17R2.3426 CN(Cc1ncccc1Cl)c2ccccc2 269982a_100000210012_100000099807 [0,1,0,0,1,0|2,0,0]=4 4283 B17R2.3426 CN(Cc1ncccc1F)c2ccccc2 2230a_100000210012_100000104219 [0,1,0,0,1,0|2,0,0]=4 4284 B17R2.3426 CN(Cc1ncccc1F)c2ccccc2 269982a_100000210012_100000104219 [0,1,0,0,1,0|2,0,0]=4 4285 B17R2.3426 CN(Cc1ncccc1F)c2ccccc2 34a_100000210012_100000104219 [0,1,0,0,1,0|2,0,0]=4 4286 B17R2.3426 CN(Cc1ncccc1O)c2ccccc2 34a_100000210012_200020655725 [0,1,0,0,1,0|2,0,0]=4 4287 B17R2.3426 C[C@@H](Nc1ncccc1Br)c2ccccc2 27a_100000751104_100000696092 [0,1,0,0,1,0|1,0,0]=3 4288 B17R2.3426 C[C@@H](Nc1nccnc1F)c2ccccc2 27a_100000751104_200010125657 [0,1,0,0,1,0|2,0,0]=4 4289 B17R2.3426 C[C@@H](Nc1ncncc1F)c2ccccc2 27a_100000751104_100000069762 [0,1,0,0,1,0|2,0,0]=4 4290 B17R2.3426 C[C@@H](Nc1ncncc1N)c2ccccc2 27a_100000751104_100000709731 [0,1,0,0,1,0|2,0,0]=4 4291 B17R2.3426 Cc1ccccc1CC(C)c2ccccc2 271570a_100000062452_100000210755 [0,1,0,0,1,0|2,0,0]=4 4292 B17R2.3426 Cc1ccccc1NC(C)c2ccccc2 34a_100015192222_100000211855 [0,1,0,0,1,0|2,0,0]=4 4293 B17R2.3426 Cc1cccnc1CC(=O)c2ccccc2 1458a_100000185807_100000696600 [0,1,0,0,1,0|0,0,2]=4 4294 B17R2.3426 Cc1cccnc1CC(C)c2ccccc2 271570a_100000062452_100000751373 [0,1,0,0,1,0|1,0,0]=3 4295 B17R2.3426 Cc1cccnc1CN(C)c2ccccc2 2230a_100000210012_100000696600 [0,1,0,0,1,0|2,0,0]=4 4296 B17R2.3426 Cc1cccnc1CN(C)c2ccccc2 269982a_100000210012_100000696600 [0,1,0,0,1,0|2,0,0]=4 4297 B17R2.3426 Cc1cccnc1CN(C)c2ccccc2 34a_100000210012_100000696600 [0,1,0,0,1,0|2,0,0]=4 4298 B17R2.3426 Cc1cccnc1SC(C)c2ccccc2 62a_100000230085_100000751373 [0,1,0,0,1,0|2,0,0]=4 4299 B17R2.3426 Cc1cccnc1SC(C)c2ccccc2 62a_100000751373_100000230085 [0,1,0,0,1,0|2,0,0]=4 4300 B17R2.3426 Cc1ccnnc1CC(C)c2ccccc2 271570a_100000062452_100000089043 [0,1,0,0,1,0|2,0,0]=4 4301 B17R2.3426 Cc1ccnnc1N[C@H](C)c2ccccc2 27a_100000751104_100000089043 [0,1,0,0,1,0|2,0,0]=4 4302 B17R2.3426 Cc1cncnc1CC(C)c2ccccc2 271570a_100000062452_100011998708 [0,1,0,0,1,0|2,0,0]=4 4303 B17R2.3426 Cc1cncnc1N[C@H](C)c2ccccc2 27a_100000751104_100011998708 [0,1,0,0,1,0|2,0,0]=4 4304 B17R2.3426 Cc1nccnc1CC(C)c2ccccc2 271570a_100000062452_100011999405 [0,1,0,0,1,0|2,0,0]=4 4305 B17R2.3426 Cc1nccnc1N[C@H](C)c2ccccc2 27a_100000751104_100011999405 [0,1,0,0,1,0|2,0,0]=4 4306 B17R2.3426 O=C(Cc1ncccc1Br)c2ccccc2 1458a_100000185807_100025702911 [0,1,0,0,1,0|0,0,2]=4 4307 B17R2.3426 O=C(Cc1ncccc1Cl)c2ccccc2 1458a_100000185807_100000099807 [0,1,0,0,1,0|0,0,2]=4 4308 B17R2.3426 O=C(Cc1ncccc1F)c2ccccc2 1458a_100000185807_100000104219 [0,1,0,0,1,0|0,0,2]=4 4309 B17R2.3426 O=C(Cc1ncccc1O)c2ccccc2 1458a_100000185807_200020655725 [0,1,0,0,1,0|0,0,2]=4 4310 B17R2.5273 CC(Nc1cccnn1)c2cccc(c2)Br 27a_100020642005_100016991348 [0,1,0,0,1,0|2,0,0]=4 4311 B17R2.5273 CC(Nc1cccnn1)c2cccc(c2)Cl 27a_100102723534_100016991348 [0,1,0,0,1,0|2,0,0]=4 4312 B17R2.5273 CC(Nc1cccnn1)c2cccc(c2)O 27a_100000740644_100016991348 [0,1,0,0,1,0|2,0,0]=4 4313 B17R2.5273 CC(Nc1ccncn1)c2cccc(c2)Br 27a_100020642005_100000703185 [0,1,0,0,1,0|2,0,0]=4 4314 B17R2.5273 CC(Nc1ccncn1)c2cccc(c2)Cl 27a_100102723534_100000703185 [0,1,0,0,1,0|2,0,0]=4 4315 B17R2.5273 CC(Nc1ccncn1)c2cccc(c2)O 27a_100000740644_100000703185 [0,1,0,0,1,0|2,0,0]=4 4316 B17R2.5273 CC(Nc1cnccn1)c2cccc(c2)Br 27a_100020642005_100000211759 [0,1,0,0,1,0|2,0,0]=4 4317 B17R2.5273 CC(Nc1cnccn1)c2cccc(c2)Cl 27a_100102723534_100000211759 [0,1,0,0,1,0|2,0,0]=4 4318 B17R2.5273 CC(Nc1cnccn1)c2cccc(c2)O 27a_100000740644_100000211759 [0,1,0,0,1,0|2,0,0]=4 4319 B17R2.5273 CC(Nc1ncccn1)c2cccc(c2)Br 27a_100020642005_100000211032 [0,1,0,0,1,0|2,0,0]=4 4320 B17R2.5273 CC(Nc1ncccn1)c2cccc(c2)Cl 27a_100102723534_100000211032 [0,1,0,0,1,0|2,0,0]=4 4321 B17R2.5273 CC(Nc1ncccn1)c2cccc(c2)O 27a_100000740644_100000211032 [0,1,0,0,1,0|2,0,0]=4 4322 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Br 2230a_100000219648_100000721315 [0,1,0,0,1,0|2,0,0]=4 4323 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Br 269982a_100000219648_100000721315 [0,1,0,0,1,0|2,0,0]=4 4324 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Br 34a_100000219648_100000721315 [0,1,0,0,1,0|2,0,0]=4 4325 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Cl 2230a_100000220044_100000721315 [0,1,0,0,1,0|2,0,0]=4 4326 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Cl 269982a_100000220044_100000721315 [0,1,0,0,1,0|2,0,0]=4 4327 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Cl 34a_100000220044_100000721315 [0,1,0,0,1,0|2,0,0]=4 4328 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)F 2230a_100020633736_100000721315 [0,1,0,0,1,0|2,0,0]=4 4329 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)F 269982a_100020633736_100000721315 [0,1,0,0,1,0|2,0,0]=4 4330 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)F 34a_100020633736_100000721315 [0,1,0,0,1,0|2,0,0]=4 4331 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)I 2230a_100000221217_100000721315 [0,1,0,0,1,0|2,0,0]=4 4332 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)I 269982a_100000221217_100000721315 [0,1,0,0,1,0|2,0,0]=4 4333 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)I 34a_100000221217_100000721315 [0,1,0,0,1,0|2,0,0]=4 4334 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)O 2230a_100000756613_100000721315 [0,1,0,0,1,0|2,0,0]=4 4335 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)O 269982a_100000756613_100000721315 [0,1,0,0,1,0|2,0,0]=4 4336 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)O 34a_100000756613_100000721315 [0,1,0,0,1,0|2,0,0]=4 4337 B17R2.5273 C[C@@H](Nc1cccnn1)c2cccc(c2)F 27a_100015193778_100016991348 [0,1,0,0,1,0|2,0,0]=4 4338 B17R2.5273 C[C@@H](Nc1ccncn1)c2cccc(c2)F 27a_100015193778_100000703185 [0,1,0,0,1,0|2,0,0]=4 4339 B17R2.5273 C[C@@H](Nc1cnccn1)c2cccc(c2)F 27a_100015193778_100000211759 [0,1,0,0,1,0|2,0,0]=4 4340 B17R2.5273 C[C@@H](Nc1ncccn1)c2cccc(c2)F 27a_100015193778_100000211032 [0,1,0,0,1,0|2,0,0]=4 4341 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccccn2 1458a_100000189346_100000721315 [0,1,0,0,1,0|0,0,2]=4 4342 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccn2 2230a_100000219674_100000721315 [0,1,0,0,1,0|2,0,0]=4 4343 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccn2 269982a_100000219674_100000721315 [0,1,0,0,1,0|2,0,0]=4 4344 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccn2 34a_100000219674_100000721315 [0,1,0,0,1,0|2,0,0]=4 4345 B17R2.5273 Cc1cccc(c1)[C@@H](C)Nc2cccnn2 27a_100000698126_100016991348 [0,1,0,0,1,0|2,0,0]=4 4346 B17R2.5273 Cc1cccc(c1)[C@@H](C)Nc2ccncn2 27a_100000698126_100000703185 [0,1,0,0,1,0|2,0,0]=4 4347 B17R2.5273 Cc1cccc(c1)[C@@H](C)Nc2cnccn2 27a_100000698126_100000211759 [0,1,0,0,1,0|2,0,0]=4 4348 B17R2.5273 Cc1cccc(c1)[C@@H](C)Nc2ncccn2 27a_100000698126_100000211032 [0,1,0,0,1,0|2,0,0]=4 4349 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)Br 1458a_100000210664_100000721315 [0,1,0,0,1,0|0,0,2]=4 4350 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)Cl 1458a_100000210390_100000721315 [0,1,0,0,1,0|0,0,2]=4 4351 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)F 1458a_100000210950_100000721315 [0,1,0,0,1,0|0,0,2]=4 4352 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)I 1458a_100000184098_100000721315 [0,1,0,0,1,0|0,0,2]=4 4353 B17R2.5273 O=C(Cc1ccccn1)c2cccc(c2)O 1458a_100000183914_100000721315 [0,1,0,0,1,0|0,0,2]=4 4354 B17R2.5293 CC(Cc1c[n+](ccn1)[O-])c2ccccc2 271570a_100000062452_100009880115 [0,1,0,0,1,0|2,0,0]=4 4355 B17R2.5293 CC(Cc1cc(ccn1)Cl)c2ccccc2 271570a_100000062452_100010167805 [0,1,0,0,1,0|1,0,0]=3 4356 B17R2.5293 CC(Cc1cc(ccn1)F)c2ccccc2 271570a_100000062452_100009817058 [0,1,0,0,1,0|1,0,0]=3 4357 B17R2.5293 CC(Cc1cc(ccn1)N)c2ccccc2 271570a_100000062452_100009814236 [0,1,0,0,1,0|1,0,0]=3 4358 B17R2.5293 CC(Cc1cc(ccn1)O)c2ccccc2 271570a_100000062452_100000762945 [0,1,0,0,1,0|1,0,0]=3 4359 B17R2.5293 CC(Cc1cc(cnn1)O)c2ccccc2 271570a_100000062452_200010734679 [0,1,0,0,1,0|2,0,0]=4 4360 B17R2.5293 CC(Cc1cc(ncn1)F)c2ccccc2 271570a_100000062452_200009880791 [0,1,0,0,1,0|2,0,0]=4 4361 B17R2.5293 CC(Cc1cc(ncn1)N)c2ccccc2 271570a_100000062452_100000701291 [0,1,0,0,1,0|2,0,0]=4 4362 B17R2.5293 CC(Cc1cc(ncn1)O)c2ccccc2 271570a_100000062452_100000765262 [0,1,0,0,1,0|2,0,0]=4 4363 B17R2.5293 CC(Cc1cc[nH]c(=O)n1)c2ccccc2 271570a_100000062452_200000134032 [0,1,0,0,1,0|2,0,0]=4 4364 B17R2.5293 CC(Cc1cccc(=O)[nH]1)c2ccccc2 271570a_100000062452_100000761760 [0,1,0,0,1,0|1,0,1]=4 4365 B17R2.5293 CC(Cc1cccc(c1)Br)c2ccccc2 271570a_100000062452_100000691529 [0,1,0,0,1,0|2,0,0]=4 4366 B17R2.5293 CC(Cc1cccc(c1)Cl)c2ccccc2 271570a_100000062452_100000699651 [0,1,0,0,1,0|2,0,0]=4 4367 B17R2.5293 CC(Cc1cccc(c1)F)c2ccccc2 271570a_100000062452_100000685547 [0,1,0,0,1,0|2,0,0]=4 4368 B17R2.5293 CC(Cc1cccc(c1)N)c2ccccc2 271570a_100000062452_100000210019 [0,1,0,0,1,0|2,0,0]=4 4369 B17R2.5293 CC(Cc1cccc(c1)O)c2ccccc2 271570a_100000062452_100000211634 [0,1,0,0,1,0|2,0,0]=4 4370 B17R2.5293 CC(Cc1cccc(c1)[S])c2ccccc2 271570a_100000062452_114929384022 [0,1,0,0,1,0|2,0,0]=4 4371 B17R2.5293 CC(Cc1cccc(n1)Br)c2ccccc2 271570a_100000062452_100000684672 [0,1,0,0,1,0|1,0,0]=3 4372 B17R2.5293 CC(Cc1cccc(n1)F)c2ccccc2 271570a_100000062452_100009815982 [0,1,0,0,1,0|1,0,0]=3 4373 B17R2.5293 CC(Cc1cccc(n1)N)c2ccccc2 271570a_100000062452_100000740741 [0,1,0,0,1,0|1,0,0]=3 4374 B17R2.5293 CC(Cc1ccnc(n1)N)c2ccccc2 271570a_100000062452_100009820717 [0,1,0,0,1,0|2,0,0]=4 4375 B17R2.5293 CC(Cc1cncc(n1)F)c2ccccc2 271570a_100000062452_200009863489 [0,1,0,0,1,0|2,0,0]=4 4376 B17R2.5293 CC(Cc1cncc(n1)N)c2ccccc2 271570a_100000062452_100009819714 [0,1,0,0,1,0|2,0,0]=4 4377 B17R2.5293 CC(Cc1cncc(n1)O)c2ccccc2 271570a_100000062452_100011269956 [0,1,0,0,1,0|2,0,0]=4 4378 B17R2.5293 CC(Cc1nccc(n1)N)c2ccccc2 271570a_100000062452_100000757536 [0,1,0,0,1,0|2,0,0]=4 4379 B17R2.5293 CC(Cc1nccc(n1)O)c2ccccc2 271570a_100000062452_100011649813 [0,1,0,0,1,0|2,0,0]=4 4380 B17R2.5293 CC(Nc1cc(ccn1)F)c2ccccn2 27a_100000181244_100000764206 [0,1,0,0,1,0|2,0,0]=4 4381 B17R2.5293 CC(Nc1cc(ccn1)F)c2cccnc2 27a_100000195435_100000764206 [0,1,0,0,1,0|2,0,0]=4 4382 B17R2.5293 CC(Nc1cc(ccn1)F)c2ccncc2 27a_100000181269_100000764206 [0,1,0,0,1,0|2,0,0]=4 4383 B17R2.5293 CC(Nc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000211855 [0,1,0,0,1,0|2,0,0]=4 4384 B17R2.5293 CC(Nc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000211855 [0,1,0,0,1,0|2,0,0]=4 4385 B17R2.5293 CC(Nc1cccc(c1)F)c2ccccc2 34a_100000210047_100000211855 [0,1,0,0,1,0|2,0,0]=4 4386 B17R2.5293 CC(Nc1cccc(c1)I)c2ccccc2 34a_100000211102_100000211855 [0,1,0,0,1,0|2,0,0]=4 4387 B17R2.5293 CC(Nc1cccc(c1)O)c2ccccc2 34a_100000210217_100000211855 [0,1,0,0,1,0|2,0,0]=4 4388 B17R2.5293 CC(Nc1cccc(n1)F)c2ccccn2 27a_100000181244_100009815982 [0,1,0,0,1,0|2,0,0]=4 4389 B17R2.5293 CC(Nc1cccc(n1)F)c2cccnc2 27a_100000195435_100009815982 [0,1,0,0,1,0|2,0,0]=4 4390 B17R2.5293 CC(Nc1cccc(n1)F)c2ccncc2 27a_100000181269_100009815982 [0,1,0,0,1,0|2,0,0]=4 4391 B17R2.5293 CC(Oc1cccc(n1)F)c2ccccc2 34a_100011432558_100000211855 [0,1,0,0,1,0|2,0,0]=4 4392 B17R2.5293 CC(Sc1cc(ccn1)Cl)c2ccccc2 62a_100000230085_100010167805 [0,1,0,0,1,0|2,0,0]=4 4393 B17R2.5293 CC(Sc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000230085 [0,1,0,0,1,0|2,0,0]=4 4394 B17R2.5293 CC(Sc1cc(ccn1)F)c2ccccc2 62a_100000230085_100000764206 [0,1,0,0,1,0|2,0,0]=4 4395 B17R2.5293 CC(Sc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000230085 [0,1,0,0,1,0|2,0,0]=4 4396 B17R2.5293 CC(Sc1cc(ccn1)N)c2ccccc2 62a_100000230085_100009814236 [0,1,0,0,1,0|2,0,0]=4 4397 B17R2.5293 CC(Sc1cc(ccn1)N)c2ccccc2 62a_100009814236_100000230085 [0,1,0,0,1,0|2,0,0]=4 4398 B17R2.5293 CC(Sc1cc(ccn1)O)c2ccccc2 62a_100000230085_100000762945 [0,1,0,0,1,0|2,0,0]=4 4399 B17R2.5293 CC(Sc1cccc(n1)Br)c2ccccc2 62a_100000230085_100000684672 [0,1,0,0,1,0|2,0,0]=4 4400 B17R2.5293 CC(Sc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000230085 [0,1,0,0,1,0|2,0,0]=4 4401 B17R2.5293 CC(Sc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000230085 [0,1,0,0,1,0|2,0,0]=4 4402 B17R2.5293 CC(Sc1cccc(n1)Cl)c2ccccc2 62a_100000230085_100000051397 [0,1,0,0,1,0|2,0,0]=4 4403 B17R2.5293 CC(Sc1cccc(n1)F)c2ccccc2 62a_100000230085_100009815982 [0,1,0,0,1,0|2,0,0]=4 4404 B17R2.5293 CC(Sc1cccc(n1)F)c2ccccc2 62a_100009815982_100000230085 [0,1,0,0,1,0|2,0,0]=4 4405 B17R2.5293 CC(Sc1cccc(n1)N)c2ccccc2 62a_100000230085_100000740741 [0,1,0,0,1,0|2,0,0]=4 4406 B17R2.5293 CC(Sc1cccc(n1)N)c2ccccc2 62a_100000740741_100000230085 [0,1,0,0,1,0|2,0,0]=4 4407 B17R2.5293 CN(Cc1cc(ccn1)Br)c2ccccc2 2230a_100000210012_100010173614 [0,1,0,0,1,0|2,0,0]=4 4408 B17R2.5293 CN(Cc1cc(ccn1)Br)c2ccccc2 269982a_100000210012_100010173614 [0,1,0,0,1,0|2,0,0]=4 4409 B17R2.5293 CN(Cc1cc(ccn1)Br)c2ccccc2 34a_100000210012_100010173614 [0,1,0,0,1,0|2,0,0]=4 4410 B17R2.5293 CN(Cc1cc(ccn1)Cl)c2ccccc2 2230a_100000210012_100016988179 [0,1,0,0,1,0|2,0,0]=4 4411 B17R2.5293 CN(Cc1cc(ccn1)Cl)c2ccccc2 269982a_100000210012_100016988179 [0,1,0,0,1,0|2,0,0]=4 4412 B17R2.5293 CN(Cc1cc(ccn1)Cl)c2ccccc2 34a_100000210012_100016988179 [0,1,0,0,1,0|2,0,0]=4 4413 B17R2.5293 CN(Cc1cccc(n1)Br)c2ccccc2 2230a_100000210012_100009889011 [0,1,0,0,1,0|2,0,0]=4 4414 B17R2.5293 CN(Cc1cccc(n1)Br)c2ccccc2 269982a_100000210012_100009889011 [0,1,0,0,1,0|2,0,0]=4 4415 B17R2.5293 CN(Cc1cccc(n1)Br)c2ccccc2 34a_100000210012_100009889011 [0,1,0,0,1,0|2,0,0]=4 4416 B17R2.5293 CN(Cc1cccc(n1)Cl)c2ccccc2 2230a_100000210012_100000086093 [0,1,0,0,1,0|2,0,0]=4 4417 B17R2.5293 CN(Cc1cccc(n1)Cl)c2ccccc2 269982a_100000210012_100000086093 [0,1,0,0,1,0|2,0,0]=4 4418 B17R2.5293 CN(Cc1cccc(n1)Cl)c2ccccc2 34a_100000210012_100000086093 [0,1,0,0,1,0|2,0,0]=4 4419 B17R2.5293 CN(Cc1cccc(n1)F)c2ccccc2 2230a_100000210012_100009819644 [0,1,0,0,1,0|2,0,0]=4 4420 B17R2.5293 CN(Cc1cccc(n1)F)c2ccccc2 269982a_100000210012_100009819644 [0,1,0,0,1,0|2,0,0]=4 4421 B17R2.5293 CN(Cc1cccc(n1)F)c2ccccc2 34a_100000210012_100009819644 [0,1,0,0,1,0|2,0,0]=4 4422 B17R2.5293 C[C@@H](Nc1c[n+](ccn1)[O-])c2ccccc2 27a_100000751104_100009880115 [0,1,0,0,1,0|2,0,0]=4 4423 B17R2.5293 C[C@@H](Nc1cc(ccn1)F)c2ccccc2 27a_100000751104_100000764206 [0,1,0,0,1,0|1,0,0]=3 4424 B17R2.5293 C[C@@H](Nc1cc(ncn1)F)c2ccccc2 27a_100000751104_200009880791 [0,1,0,0,1,0|2,0,0]=4 4425 B17R2.5293 C[C@@H](Nc1cc(ncn1)N)c2ccccc2 27a_100000751104_100000701291 [0,1,0,0,1,0|2,0,0]=4 4426 B17R2.5293 C[C@@H](Nc1cc(ncn1)O)c2ccccc2 27a_100000751104_100000765262 [0,1,0,0,1,0|2,0,0]=4 4427 B17R2.5293 C[C@@H](Nc1cc[nH]c(=O)n1)c2ccccc2 27a_100000751104_200000134032 [0,1,0,0,1,0|2,0,0]=4 4428 B17R2.5293 C[C@@H](Nc1cccc(n1)F)c2ccccc2 27a_100000751104_100009815982 [0,1,0,0,1,0|1,0,0]=3 4429 B17R2.5293 C[C@@H](Nc1ccnc(n1)N)c2ccccc2 27a_100000751104_100000055538 [0,1,0,0,1,0|2,0,0]=4 4430 B17R2.5293 C[C@@H](Nc1cncc(n1)Cl)c2ccccc2 27a_100000751104_100010892449 [0,1,0,0,1,0|2,0,0]=4 4431 B17R2.5293 C[C@@H](Nc1cncc(n1)F)c2ccccc2 27a_100000751104_200009863489 [0,1,0,0,1,0|2,0,0]=4 4432 B17R2.5293 C[C@@H](Nc1nccc(n1)N)c2ccccc2 27a_100000751104_100000757536 [0,1,0,0,1,0|2,0,0]=4 4433 B17R2.5293 C[C@@H](Nc1nccc(n1)O)c2ccccc2 27a_100000751104_100011649813 [0,1,0,0,1,0|2,0,0]=4 4434 B17R2.5293 Cc1cc(ncn1)CC(C)c2ccccc2 271570a_100000062452_100000744208 [0,1,0,0,1,0|2,0,0]=4 4435 B17R2.5293 Cc1cc(ncn1)N[C@H](C)c2ccccc2 27a_100000751104_100000744208 [0,1,0,0,1,0|2,0,0]=4 4436 B17R2.5293 Cc1cccc(c1)CC(C)c2ccccc2 271570a_100000062452_100011215228 [0,1,0,0,1,0|2,0,0]=4 4437 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 2230a_100000188690_100000230085 [0,1,0,0,1,0|2,0,0]=4 4438 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 34a_100000188690_100000211855 [0,1,0,0,1,0|2,0,0]=4 4439 B17R2.5293 Cc1cccc(n1)CC(=O)c2ccccc2 1458a_100000185807_100000757606 [0,1,0,0,1,0|0,0,2]=4 4440 B17R2.5293 Cc1cccc(n1)CC(C)c2ccccc2 271570a_100000062452_100000742759 [0,1,0,0,1,0|1,0,0]=3 4441 B17R2.5293 Cc1cccc(n1)CN(C)c2ccccc2 2230a_100000210012_100000757606 [0,1,0,0,1,0|2,0,0]=4 4442 B17R2.5293 Cc1cccc(n1)CN(C)c2ccccc2 269982a_100000210012_100000757606 [0,1,0,0,1,0|2,0,0]=4 4443 B17R2.5293 Cc1cccc(n1)CN(C)c2ccccc2 34a_100000210012_100000757606 [0,1,0,0,1,0|2,0,0]=4 4444 B17R2.5293 Cc1cccc(n1)SC(C)c2ccccc2 62a_100000230085_100000742759 [0,1,0,0,1,0|2,0,0]=4 4445 B17R2.5293 Cc1cccc(n1)SC(C)c2ccccc2 62a_100000742759_100000230085 [0,1,0,0,1,0|2,0,0]=4 4446 B17R2.5293 Cc1ccnc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000718516 [0,1,0,0,1,0|0,0,2]=4 4447 B17R2.5293 Cc1ccnc(c1)CC(C)c2ccccc2 271570a_100000062452_100000750283 [0,1,0,0,1,0|1,0,0]=3 4448 B17R2.5293 Cc1ccnc(c1)CN(C)c2ccccc2 2230a_100000210012_100000718516 [0,1,0,0,1,0|2,0,0]=4 4449 B17R2.5293 Cc1ccnc(c1)CN(C)c2ccccc2 269982a_100000210012_100000718516 [0,1,0,0,1,0|2,0,0]=4 4450 B17R2.5293 Cc1ccnc(c1)CN(C)c2ccccc2 34a_100000210012_100000718516 [0,1,0,0,1,0|2,0,0]=4 4451 B17R2.5293 Cc1ccnc(c1)SC(C)c2ccccc2 62a_100000230085_100000750283 [0,1,0,0,1,0|2,0,0]=4 4452 B17R2.5293 Cc1ccnc(c1)SC(C)c2ccccc2 62a_100000750283_100000230085 [0,1,0,0,1,0|2,0,0]=4 4453 B17R2.5293 Cc1ccnc(n1)CC(C)c2ccccc2 271570a_100000062452_100011243806 [0,1,0,0,1,0|2,0,0]=4 4454 B17R2.5293 Cc1ccnc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100000750684 [0,1,0,0,1,0|2,0,0]=4 4455 B17R2.5293 Cc1cncc(n1)CC(C)c2ccccc2 271570a_100000062452_100009842155 [0,1,0,0,1,0|2,0,0]=4 4456 B17R2.5293 Cc1cncc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100000754123 [0,1,0,0,1,0|2,0,0]=4 4457 B17R2.5293 Cc1cnnc(c1)CC(C)c2ccccc2 271570a_100000062452_100000070100 [0,1,0,0,1,0|2,0,0]=4 4458 B17R2.5293 Cc1cnnc(c1)N[C@H](C)c2ccccc2 27a_100000751104_100000070100 [0,1,0,0,1,0|2,0,0]=4 4459 B17R2.5293 Cc1nccc(n1)CC(C)c2ccccc2 271570a_100000062452_100000749937 [0,1,0,0,1,0|2,0,0]=4 4460 B17R2.5293 Cc1nccc(n1)N[C@H](C)c2ccccc2 27a_100000751104_100000749937 [0,1,0,0,1,0|2,0,0]=4 4461 B17R2.5293 O=C(Cc1cc(ccn1)Br)c2ccccc2 1458a_100000185807_100010173614 [0,1,0,0,1,0|0,0,2]=4 4462 B17R2.5293 O=C(Cc1cc(ccn1)Cl)c2ccccc2 1458a_100000185807_100016988179 [0,1,0,0,1,0|0,0,2]=4 4463 B17R2.5293 O=C(Cc1cccc(n1)Br)c2ccccc2 1458a_100000185807_100009889011 [0,1,0,0,1,0|0,0,2]=4 4464 B17R2.5293 O=C(Cc1cccc(n1)Cl)c2ccccc2 1458a_100000185807_100000086093 [0,1,0,0,1,0|0,0,2]=4 4465 B17R2.5293 O=C(Cc1cccc(n1)F)c2ccccc2 1458a_100000185807_100009819644 [0,1,0,0,1,0|0,0,2]=4 4466 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 2230a_100000210012_100000230085 [0,1,0,0,1,0|2,0,0]=4 4467 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 269982a_100000210012_100000230085 [0,1,0,0,1,0|2,0,0]=4 4468 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 34a_100000210012_100000211855 [0,1,0,0,1,0|2,0,0]=4 4469 B17R2.10205 CC(c1ccccc1)N(C)c2cccnn2 27a_100000195388_100016991348 [0,1,0,0,1,0|2,0,0]=4 4470 B17R2.10205 CC(c1ccccc1)N(C)c2ccncn2 27a_100000195388_100000703185 [0,1,0,0,1,0|2,0,0]=4 4471 B17R2.10205 CC(c1ccccc1)N(C)c2cnccn2 27a_100000195388_100000211759 [0,1,0,0,1,0|2,0,0]=4 4472 B17R2.10205 CC(c1ccccc1)N(C)c2ncccn2 27a_100000195388_100000211032 [0,1,0,0,1,0|2,0,0]=4 4473 B17R2.20249 CC(C)(Nc1cccnn1)c2ccccc2 27a_100011218174_100016991348 [0,1,0,0,1,0|2,0,0]=4 4474 B17R2.20249 CC(C)(Nc1ccncn1)c2ccccc2 27a_100011218174_100000703185 [0,1,0,0,1,0|2,0,0]=4 4475 B17R2.20249 CC(C)(Nc1cnccn1)c2ccccc2 27a_100011218174_100000211759 [0,1,0,0,1,0|2,0,0]=4 4476 B17R2.20249 CC(C)(Nc1ncccn1)c2ccccc2 27a_100011218174_100000211032 [0,1,0,0,1,0|2,0,0]=4 4477 B17R2.20249 CC(C)(Sc1ccccn1)c2ccccc2 62a_100000034625_100011216584 [0,1,0,0,1,0|2,0,0]=4 4478 B17R2.20249 CC(C)(Sc1ccccn1)c2ccccc2 62a_100011216584_100000034625 [0,1,0,0,1,0|2,0,0]=4 4479 B17R2.20249 FC(F)(Sc1ccccn1)c2ccccc2 62a_100011216584_100000036403 [0,1,0,0,1,0|2,0,0]=4 4480 B17R2.202 Cc1ccc(nn1)NCC(O)c2ccco2 27a_100000738650_100000744512 [0,1,0,0,1,0|2,0,0]=4 4481 B17R2.202 Cc1ccc(nn1)NCC(O)c2ccsc2 27a_100000758718_100000744512 [0,1,0,0,1,0|2,0,0]=4 4482 B17R2.202 Cc1cnc(cn1)NCC(O)c2ccco2 27a_100000738650_100000074397 [0,1,0,0,1,0|2,0,0]=4 4483 B17R2.202 Cc1cnc(cn1)NCC(O)c2ccsc2 27a_100000758718_100000074397 [0,1,0,0,1,0|2,0,0]=4 4484 B17R2.202 Cc1cnc(nc1)NCC(O)c2ccco2 27a_100000738650_100000061069 [0,1,0,0,1,0|2,0,0]=4 4485 B17R2.202 Cc1cnc(nc1)NCC(O)c2ccsc2 27a_100000758718_100000061069 [0,1,0,0,1,0|2,0,0]=4 4486 B17R2.202 OC(CNc1ccc(cn1)Br)c2ccco2 27a_100000738650_100000686858 [0,1,0,0,1,0|1,0,0]=3 4487 B17R2.202 OC(CNc1ccc(cn1)Br)c2ccsc2 27a_100000758718_100000686858 [0,1,0,0,1,0|1,0,0]=3 4488 B17R2.202 OC(CNc1cnc(cn1)Br)c2ccco2 27a_100000738650_100010187541 [0,1,0,0,1,0|2,0,0]=4 4489 B17R2.202 OC(CNc1cnc(cn1)Br)c2ccsc2 27a_100000758718_100010187541 [0,1,0,0,1,0|2,0,0]=4 4490 B17R2.202 OC(CNc1cnc(cn1)F)c2ccco2 27a_100000738650_100009856528 [0,1,0,0,1,0|2,0,0]=4 4491 B17R2.202 OC(CNc1cnc(cn1)F)c2ccsc2 27a_100000758718_100009856528 [0,1,0,0,1,0|2,0,0]=4 4492 B17R2.202 OC(CNc1ncc(cn1)Br)c2ccco2 27a_100000738650_100000690281 [0,1,0,0,1,0|2,0,0]=4 4493 B17R2.202 OC(CNc1ncc(cn1)Br)c2ccsc2 27a_100000758718_100000690281 [0,1,0,0,1,0|2,0,0]=4 4494 B17R2.202 OC(CNc1ncc(cn1)Cl)c2ccco2 27a_100000738650_100011356929 [0,1,0,0,1,0|2,0,0]=4 4495 B17R2.202 OC(CNc1ncc(cn1)Cl)c2ccsc2 27a_100000758718_100011356929 [0,1,0,0,1,0|2,0,0]=4 4496 B17R2.202 OC(CNc1ncc(cn1)F)c2ccco2 27a_100000738650_100000685220 [0,1,0,0,1,0|2,0,0]=4 4497 B17R2.202 OC(CNc1ncc(cn1)F)c2ccsc2 27a_100000758718_100000685220 [0,1,0,0,1,0|2,0,0]=4 4498 B17R2.3429 Cc1ccnnc1NCC(O)c2ccco2 27a_100000738650_100000089043 [0,1,0,0,1,0|2,0,0]=4 4499 B17R2.3429 Cc1ccnnc1NCC(O)c2ccsc2 27a_100000758718_100000089043 [0,1,0,0,1,0|2,0,0]=4 4500 B17R2.3429 Cc1cncnc1NCC(O)c2ccco2 27a_100000738650_100011998708 [0,1,0,0,1,0|2,0,0]=4 4501 B17R2.3429 Cc1cncnc1NCC(O)c2ccsc2 27a_100000758718_100011998708 [0,1,0,0,1,0|2,0,0]=4 4502 B17R2.3429 Cc1nccnc1NCC(O)c2ccco2 27a_100000738650_100011999405 [0,1,0,0,1,0|2,0,0]=4 4503 B17R2.3429 Cc1nccnc1NCC(O)c2ccsc2 27a_100000758718_100011999405 [0,1,0,0,1,0|2,0,0]=4 4504 B17R2.3429 Nc1cncnc1NCC(O)c2ccco2 27a_100000738650_100000709731 [0,1,0,0,1,0|2,0,0]=4 4505 B17R2.3429 Nc1cncnc1NCC(O)c2ccsc2 27a_100000758718_100000709731 [0,1,0,0,1,0|2,0,0]=4 4506 B17R2.3429 OC(CNc1ncccc1Br)c2ccco2 27a_100000738650_100000696092 [0,1,0,0,1,0|1,0,0]=3 4507 B17R2.3429 OC(CNc1ncccc1Br)c2ccsc2 27a_100000758718_100000696092 [0,1,0,0,1,0|1,0,0]=3 4508 B17R2.3429 OC(CNc1nccnc1F)c2ccco2 27a_100000738650_200010125657 [0,1,0,0,1,0|2,0,0]=4 4509 B17R2.3429 OC(CNc1nccnc1F)c2ccsc2 27a_100000758718_200010125657 [0,1,0,0,1,0|2,0,0]=4 4510 B17R2.3429 OC(CNc1ncncc1F)c2ccco2 27a_100000738650_100000069762 [0,1,0,0,1,0|2,0,0]=4 4511 B17R2.3429 OC(CNc1ncncc1F)c2ccsc2 27a_100000758718_100000069762 [0,1,0,0,1,0|2,0,0]=4 4512 B17R2.5287 Cc1cc(ncn1)NCC(O)c2ccco2 27a_100000738650_100000744208 [0,1,0,0,1,0|2,0,0]=4 4513 B17R2.5287 Cc1cc(ncn1)NCC(O)c2ccsc2 27a_100000758718_100000744208 [0,1,0,0,1,0|2,0,0]=4 4514 B17R2.5287 Cc1ccnc(n1)NCC(O)c2ccco2 27a_100000738650_100000750684 [0,1,0,0,1,0|2,0,0]=4 4515 B17R2.5287 Cc1ccnc(n1)NCC(O)c2ccsc2 27a_100000758718_100000750684 [0,1,0,0,1,0|2,0,0]=4 4516 B17R2.5287 Cc1cncc(n1)NCC(O)c2ccco2 27a_100000738650_100000754123 [0,1,0,0,1,0|2,0,0]=4 4517 B17R2.5287 Cc1cncc(n1)NCC(O)c2ccsc2 27a_100000758718_100000754123 [0,1,0,0,1,0|2,0,0]=4 4518 B17R2.5287 Cc1cnnc(c1)NCC(O)c2ccco2 27a_100000738650_100000070100 [0,1,0,0,1,0|2,0,0]=4 4519 B17R2.5287 Cc1cnnc(c1)NCC(O)c2ccsc2 27a_100000758718_100000070100 [0,1,0,0,1,0|2,0,0]=4 4520 B17R2.5287 Cc1nccc(n1)NCC(O)c2ccco2 27a_100000738650_100000749937 [0,1,0,0,1,0|2,0,0]=4 4521 B17R2.5287 Cc1nccc(n1)NCC(O)c2ccsc2 27a_100000758718_100000749937 [0,1,0,0,1,0|2,0,0]=4 4522 B17R2.5287 Nc1cc(ncn1)NCC(O)c2ccco2 27a_100000738650_100000701291 [0,1,0,0,1,0|2,0,0]=4 4523 B17R2.5287 Nc1cc(ncn1)NCC(O)c2ccsc2 27a_100000758718_100000701291 [0,1,0,0,1,0|2,0,0]=4 4524 B17R2.5287 Nc1ccnc(n1)NCC(O)c2ccco2 27a_100000738650_100000757536 [0,1,0,0,1,0|2,0,0]=4 4525 B17R2.5287 Nc1ccnc(n1)NCC(O)c2ccsc2 27a_100000758718_100000757536 [0,1,0,0,1,0|2,0,0]=4 4526 B17R2.5287 Nc1nccc(n1)NCC(O)c2ccco2 27a_100000738650_100000055538 [0,1,0,0,1,0|2,0,0]=4 4527 B17R2.5287 Nc1nccc(n1)NCC(O)c2ccsc2 27a_100000758718_100000055538 [0,1,0,0,1,0|2,0,0]=4 4528 B17R2.5287 O=c1nc(cc[nH]1)NCC(O)c2ccco2 27a_100000738650_200000134032 [0,1,0,0,1,0|2,0,0]=4 4529 B17R2.5287 O=c1nc(cc[nH]1)NCC(O)c2ccsc2 27a_100000758718_200000134032 [0,1,0,0,1,0|2,0,0]=4 4530 B17R2.5287 OC(CNc1cc(ccn1)F)c2ccco2 27a_100000738650_100000764206 [0,1,0,0,1,0|1,0,0]=3 4531 B17R2.5287 OC(CNc1cc(ccn1)F)c2ccsc2 27a_100000758718_100000764206 [0,1,0,0,1,0|1,0,0]=3 4532 B17R2.5287 OC(CNc1cc(ncn1)F)c2ccco2 27a_100000738650_200009880791 [0,1,0,0,1,0|2,0,0]=4 4533 B17R2.5287 OC(CNc1cc(ncn1)F)c2ccsc2 27a_100000758718_200009880791 [0,1,0,0,1,0|2,0,0]=4 4534 B17R2.5287 OC(CNc1cccc(n1)F)c2ccco2 27a_100000738650_100009815982 [0,1,0,0,1,0|1,0,0]=3 4535 B17R2.5287 OC(CNc1cccc(n1)F)c2ccsc2 27a_100000758718_100009815982 [0,1,0,0,1,0|1,0,0]=3 4536 B17R2.5287 OC(CNc1cncc(n1)Cl)c2ccco2 27a_100000738650_100010892449 [0,1,0,0,1,0|2,0,0]=4 4537 B17R2.5287 OC(CNc1cncc(n1)Cl)c2ccsc2 27a_100000758718_100010892449 [0,1,0,0,1,0|2,0,0]=4 4538 B17R2.5287 OC(CNc1cncc(n1)F)c2ccco2 27a_100000738650_200009863489 [0,1,0,0,1,0|2,0,0]=4 4539 B17R2.5287 OC(CNc1cncc(n1)F)c2ccsc2 27a_100000758718_200009863489 [0,1,0,0,1,0|2,0,0]=4 4540 B17R2.5287 Oc1cc(ncn1)NCC(O)c2ccco2 27a_100000738650_100000765262 [0,1,0,0,1,0|2,0,0]=4 4541 B17R2.5287 Oc1cc(ncn1)NCC(O)c2ccsc2 27a_100000758718_100000765262 [0,1,0,0,1,0|2,0,0]=4 4542 B17R2.5287 Oc1ccnc(n1)NCC(O)c2ccco2 27a_100000738650_100011649813 [0,1,0,0,1,0|2,0,0]=4 4543 B17R2.5287 Oc1ccnc(n1)NCC(O)c2ccsc2 27a_100000758718_100011649813 [0,1,0,0,1,0|2,0,0]=4 4544 B17R2.5287 [O-][n+]1ccnc(c1)NCC(O)c2ccco2 27a_100000738650_100009880115 [0,1,0,0,1,0|2,0,0]=4 4545 B17R2.5287 [O-][n+]1ccnc(c1)NCC(O)c2ccsc2 27a_100000758718_100009880115 [0,1,0,0,1,0|2,0,0]=4 4546 B17R2.3241 Cc1c[nH]c(n1)SCC(O)c2ccccc2 62a_100000185958_100161115468 [0,1,0,0,1,0|2,0,0]=4 4547 B17R2.3241 Cc1c[nH]c(n1)SCC(O)c2ccccc2 62a_100161115468_100000185958 [0,1,0,0,1,0|2,0,0]=4 4548 B17R2.3241 Cc1c[nH]c(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100161115468 [0,1,0,0,1,0|2,0,0]=4 4549 B17R2.3241 Cc1c[nH]c(n1)SC[C@@H](O)c2ccccc2 62a_100161115468_100011933945 [0,1,0,0,1,0|2,0,0]=4 4550 B17R2.3241 Cc1cc(cs1)SCC(O)c2ccccc2 62a_100000185958_100000759034 [0,1,0,0,1,0|2,0,0]=4 4551 B17R2.3241 Cc1cc(cs1)SCC(O)c2ccccc2 62a_100000759034_100000185958 [0,1,0,0,1,0|2,0,0]=4 4552 B17R2.3241 Cc1cc(cs1)SC[C@@H](O)c2ccccc2 62a_100000759034_100011933945 [0,1,0,0,1,0|2,0,0]=4 4553 B17R2.3241 Cc1cc(cs1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000759034 [0,1,0,0,1,0|2,0,0]=4 4554 B17R2.3241 Cc1cc(n[nH]1)SCC(O)c2ccccc2 62a_100000185958_100009819999 [0,1,0,0,1,0|2,0,0]=4 4555 B17R2.3241 Cc1cc(n[nH]1)SCC(O)c2ccccc2 62a_100009819999_100000185958 [0,1,0,0,1,0|2,0,0]=4 4556 B17R2.3241 Cc1cc(n[nH]1)SC[C@@H](O)c2ccccc2 62a_100009819999_100011933945 [0,1,0,0,1,0|2,0,0]=4 4557 B17R2.3241 Cc1cc(n[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009819999 [0,1,0,0,1,0|2,0,0]=4 4558 B17R2.3241 Cc1cc(no1)SCC(O)c2ccccc2 62a_100000185958_100000716708 [0,1,0,0,1,0|2,0,0]=4 4559 B17R2.3241 Cc1cc(no1)SCC(O)c2ccccc2 62a_100000716708_100000185958 [0,1,0,0,1,0|2,0,0]=4 4560 B17R2.3241 Cc1cc(no1)SC[C@@H](O)c2ccccc2 62a_100000716708_100011933945 [0,1,0,0,1,0|2,0,0]=4 4561 B17R2.3241 Cc1cc(no1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000716708 [0,1,0,0,1,0|2,0,0]=4 4562 B17R2.3241 Cc1ccc(s1)SCC(O)c2ccccc2 62a_100000031368_100000185958 [0,1,0,0,1,0|2,0,0]=4 4563 B17R2.3241 Cc1ccc(s1)SCC(O)c2ccccc2 62a_100000185958_100000031368 [0,1,0,0,1,0|2,0,0]=4 4564 B17R2.3241 Cc1ccc(s1)SC[C@@H](O)c2ccccc2 62a_100000031368_100011933945 [0,1,0,0,1,0|2,0,0]=4 4565 B17R2.3241 Cc1ccc(s1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000031368 [0,1,0,0,1,0|2,0,0]=4 4566 B17R2.3241 Cc1cnc(s1)SCC(O)c2ccccc2 62a_100000185958_100000690809 [0,1,0,0,1,0|2,0,0]=4 4567 B17R2.3241 Cc1cnc(s1)SCC(O)c2ccccc2 62a_100000690809_100000185958 [0,1,0,0,1,0|2,0,0]=4 4568 B17R2.3241 Cc1cnc(s1)SC[C@@H](O)c2ccccc2 62a_100000690809_100011933945 [0,1,0,0,1,0|2,0,0]=4 4569 B17R2.3241 Cc1cnc(s1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000690809 [0,1,0,0,1,0|2,0,0]=4 4570 B17R2.3241 Cc1csc(c1)SCC(O)c2ccccc2 62a_100000185958_100009876951 [0,1,0,0,1,0|2,0,0]=4 4571 B17R2.3241 Cc1csc(c1)SCC(O)c2ccccc2 62a_100009876951_100000185958 [0,1,0,0,1,0|2,0,0]=4 4572 B17R2.3241 Cc1csc(c1)SC[C@@H](O)c2ccccc2 62a_100009876951_100011933945 [0,1,0,0,1,0|2,0,0]=4 4573 B17R2.3241 Cc1csc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009876951 [0,1,0,0,1,0|2,0,0]=4 4574 B17R2.3241 Cc1csc(n1)SCC(O)c2ccccc2 62a_100000185958_100011291629 [0,1,0,0,1,0|2,0,0]=4 4575 B17R2.3241 Cc1csc(n1)SCC(O)c2ccccc2 62a_100011291629_100000185958 [0,1,0,0,1,0|2,0,0]=4 4576 B17R2.3241 Cc1csc(n1)SC[C@@H](O)c2ccccc2 62a_100011291629_100011933945 [0,1,0,0,1,0|2,0,0]=4 4577 B17R2.3241 Cc1csc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011291629 [0,1,0,0,1,0|2,0,0]=4 4578 B17R2.3241 Cc1nc(c[nH]1)SCC(O)c2ccccc2 62a_100000185958_100009814057 [0,1,0,0,1,0|2,0,0]=4 4579 B17R2.3241 Cc1nc(c[nH]1)SCC(O)c2ccccc2 62a_100009814057_100000185958 [0,1,0,0,1,0|2,0,0]=4 4580 B17R2.3241 Cc1nc(c[nH]1)SC[C@@H](O)c2ccccc2 62a_100009814057_100011933945 [0,1,0,0,1,0|2,0,0]=4 4581 B17R2.3241 Cc1nc(c[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009814057 [0,1,0,0,1,0|2,0,0]=4 4582 B17R2.3241 Cc1nc(cs1)SCC(O)c2ccccc2 62a_100000185958_100011934587 [0,1,0,0,1,0|2,0,0]=4 4583 B17R2.3241 Cc1nc(cs1)SCC(O)c2ccccc2 62a_100011934587_100000185958 [0,1,0,0,1,0|2,0,0]=4 4584 B17R2.3241 Cc1nc(cs1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011934587 [0,1,0,0,1,0|2,0,0]=4 4585 B17R2.3241 Cc1nc(cs1)SC[C@@H](O)c2ccccc2 62a_100011934587_100011933945 [0,1,0,0,1,0|2,0,0]=4 4586 B17R2.3241 Cc1nc(no1)NCC(O)c2ccccc2 27a_100000210709_100012003639 [0,1,0,0,1,0|2,0,0]=4 4587 B17R2.3241 Cc1nnc(o1)NCC(O)c2ccccc2 27a_100000210709_100000708914 [0,1,0,0,1,0|2,0,0]=4 4588 B17R2.3241 Cc1nnc(s1)NCC(O)c2ccccc2 27a_100000210709_100000686958 [0,1,0,0,1,0|2,0,0]=4 4589 B17R2.3241 Cc1nsc(n1)NCC(O)c2ccccc2 27a_100000210709_100000709739 [0,1,0,0,1,0|2,0,0]=4 4590 B17R2.3241 Cn1ccc(n1)OCC(O)c2ccccc2 34a_100012642153_100000185958 [0,1,0,0,1,0|2,0,0]=4 4591 B17R2.3241 Cn1ccc(n1)OC[C@@H](O)c2ccccc2 34a_100012642153_100011933945 [0,1,0,0,1,0|2,0,0]=4 4592 B17R2.3241 Cn1ccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000752436 [0,1,0,0,1,0|2,0,0]=4 4593 B17R2.3241 Cn1ccc(n1)SCC(O)c2ccccc2 62a_100000752436_100000185958 [0,1,0,0,1,0|2,0,0]=4 4594 B17R2.3241 Cn1ccc(n1)SC[C@@H](O)c2ccccc2 62a_100000752436_100011933945 [0,1,0,0,1,0|2,0,0]=4 4595 B17R2.3241 Cn1ccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000752436 [0,1,0,0,1,0|2,0,0]=4 4596 B17R2.3241 Cn1cnc(c1)SCC(O)c2ccccc2 62a_100000040308_100000185958 [0,1,0,0,1,0|2,0,0]=4 4597 B17R2.3241 Cn1cnc(c1)SCC(O)c2ccccc2 62a_100000185958_100000040308 [0,1,0,0,1,0|2,0,0]=4 4598 B17R2.3241 Cn1cnc(c1)SC[C@@H](O)c2ccccc2 62a_100000040308_100011933945 [0,1,0,0,1,0|2,0,0]=4 4599 B17R2.3241 Cn1cnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000040308 [0,1,0,0,1,0|2,0,0]=4 4600 B17R2.3241 Nc1cc(n[nH]1)SCC(O)c2ccccc2 62a_100000185958_100009822546 [0,1,0,0,1,0|2,0,0]=4 4601 B17R2.3241 Nc1cc(n[nH]1)SCC(O)c2ccccc2 62a_100009822546_100000185958 [0,1,0,0,1,0|2,0,0]=4 4602 B17R2.3241 Nc1cc(n[nH]1)SC[C@@H](O)c2ccccc2 62a_100009822546_100011933945 [0,1,0,0,1,0|2,0,0]=4 4603 B17R2.3241 Nc1cc(n[nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009822546 [0,1,0,0,1,0|2,0,0]=4 4604 B17R2.3241 Nc1csc(n1)SCC(O)c2ccccc2 62a_100000185958_200015188442 [0,1,0,0,1,0|2,0,0]=4 4605 B17R2.3241 Nc1csc(n1)SCC(O)c2ccccc2 62a_200015188442_100000185958 [0,1,0,0,1,0|2,0,0]=4 4606 B17R2.3241 Nc1csc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_200015188442 [0,1,0,0,1,0|2,0,0]=4 4607 B17R2.3241 Nc1csc(n1)SC[C@@H](O)c2ccccc2 62a_200015188442_100011933945 [0,1,0,0,1,0|2,0,0]=4 4608 B17R2.3241 Nc1nc(cs1)SCC(O)c2ccccc2 62a_100000185958_100011998049 [0,1,0,0,1,0|2,0,0]=4 4609 B17R2.3241 Nc1nc(cs1)SCC(O)c2ccccc2 62a_100011998049_100000185958 [0,1,0,0,1,0|2,0,0]=4 4610 B17R2.3241 Nc1nc(cs1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011998049 [0,1,0,0,1,0|2,0,0]=4 4611 B17R2.3241 Nc1nc(cs1)SC[C@@H](O)c2ccccc2 62a_100011998049_100011933945 [0,1,0,0,1,0|2,0,0]=4 4612 B17R2.3241 Nc1nnc(s1)NCC(O)c2ccccc2 27a_100000210709_100000738278 [0,1,0,0,1,0|2,0,0]=4 4613 B17R2.3241 OC(CSc1ccc(s1)Br)c2ccccc2 62a_100000185958_100010197418 [0,1,0,0,1,0|2,0,0]=4 4614 B17R2.3241 OC(CSc1ccc(s1)Br)c2ccccc2 62a_100010197418_100000185958 [0,1,0,0,1,0|2,0,0]=4 4615 B17R2.3241 OC(CSc1nc(cs1)Br)c2ccccc2 62a_100000185958_200016082925 [0,1,0,0,1,0|2,0,0]=4 4616 B17R2.3241 OC(CSc1nc(cs1)Br)c2ccccc2 62a_200016082925_100000185958 [0,1,0,0,1,0|2,0,0]=4 4617 B17R2.3241 O[C@H](CSc1ccc(s1)Br)c2ccccc2 62a_100010197418_100011933945 [0,1,0,0,1,0|2,0,0]=4 4618 B17R2.3241 O[C@H](CSc1ccc(s1)Br)c2ccccc2 62a_100011933945_100010197418 [0,1,0,0,1,0|2,0,0]=4 4619 B17R2.3241 O[C@H](CSc1nc(cs1)Br)c2ccccc2 62a_100011933945_200016082925 [0,1,0,0,1,0|2,0,0]=4 4620 B17R2.3241 O[C@H](CSc1nc(cs1)Br)c2ccccc2 62a_200016082925_100011933945 [0,1,0,0,1,0|2,0,0]=4 4621 B17R2.3283 Cc1ccc(cc1)C(O)CNc2ncns2 27a_200020610344_100000693119 [0,1,0,0,1,0|2,0,0]=4 4622 B17R2.3283 Cc1ccc(cc1)C(O)CNc2nncs2 27a_200020610344_100000739804 [0,1,0,0,1,0|2,0,0]=4 4623 B17R2.3283 OC(CNc1ncns1)c2ccc(cc2)Br 27a_100020626992_100000693119 [0,1,0,0,1,0|2,0,0]=4 4624 B17R2.3283 OC(CNc1ncns1)c2ccc(cc2)Cl 27a_100000736658_100000693119 [0,1,0,0,1,0|2,0,0]=4 4625 B17R2.3283 OC(CNc1nncs1)c2ccc(cc2)Br 27a_100020626992_100000739804 [0,1,0,0,1,0|2,0,0]=4 4626 B17R2.3283 OC(CNc1nncs1)c2ccc(cc2)Cl 27a_100000736658_100000739804 [0,1,0,0,1,0|2,0,0]=4 4627 B17R2.3283 OC(COc1ccsc1)c2ccc(cc2)Cl 34a_100000106738_200011996143 [0,1,0,0,1,0|2,0,0]=4 4628 B17R2.3283 OC(COc1ccsc1)c2ccc(cc2)Cl 7a_100000106738_200011996143 [0,1,0,0,1,0|2,0,0]=4 4629 B17R2.3283 OC(CSc1c[nH]cn1)c2ccc(cc2)Cl 62a_100000756875_200011996143 [0,1,0,0,1,0|2,0,0]=4 4630 B17R2.3283 OC(CSc1c[nH]cn1)c2ccc(cc2)Cl 62a_200011996143_100000756875 [0,1,0,0,1,0|2,0,0]=4 4631 B17R2.3283 OC(CSc1cc[nH]n1)c2ccc(cc2)Cl 62a_100000062575_200011996143 [0,1,0,0,1,0|2,0,0]=4 4632 B17R2.3283 OC(CSc1cc[nH]n1)c2ccc(cc2)Cl 62a_200011996143_100000062575 [0,1,0,0,1,0|2,0,0]=4 4633 B17R2.3283 OC(CSc1ccco1)c2ccc(cc2)Cl 62a_100009814098_200011996143 [0,1,0,0,1,0|2,0,0]=4 4634 B17R2.3283 OC(CSc1ccco1)c2ccc(cc2)Cl 62a_200011996143_100009814098 [0,1,0,0,1,0|2,0,0]=4 4635 B17R2.3283 OC(CSc1cccs1)c2ccc(cc2)Cl 62a_100011215356_200011996143 [0,1,0,0,1,0|2,0,0]=4 4636 B17R2.3283 OC(CSc1cccs1)c2ccc(cc2)Cl 62a_200011996143_100011215356 [0,1,0,0,1,0|2,0,0]=4 4637 B17R2.3283 OC(CSc1ccoc1)c2ccc(cc2)Cl 62a_100011215275_200011996143 [0,1,0,0,1,0|2,0,0]=4 4638 B17R2.3283 OC(CSc1ccoc1)c2ccc(cc2)Cl 62a_200011996143_100011215275 [0,1,0,0,1,0|2,0,0]=4 4639 B17R2.3283 OC(CSc1ccon1)c2ccc(cc2)Cl 62a_100009818083_200011996143 [0,1,0,0,1,0|2,0,0]=4 4640 B17R2.3283 OC(CSc1ccon1)c2ccc(cc2)Cl 62a_200011996143_100009818083 [0,1,0,0,1,0|2,0,0]=4 4641 B17R2.3283 OC(CSc1ccsc1)c2ccc(cc2)Cl 62a_100000738268_200011996143 [0,1,0,0,1,0|2,0,0]=4 4642 B17R2.3283 OC(CSc1ccsc1)c2ccc(cc2)Cl 62a_200011996143_100000738268 [0,1,0,0,1,0|2,0,0]=4 4643 B17R2.3283 OC(CSc1ccsn1)c2ccc(cc2)Cl 62a_100009818082_200011996143 [0,1,0,0,1,0|2,0,0]=4 4644 B17R2.3283 OC(CSc1ccsn1)c2ccc(cc2)Cl 62a_200011996143_100009818082 [0,1,0,0,1,0|2,0,0]=4 4645 B17R2.3283 OC(CSc1cscn1)c2ccc(cc2)Cl 62a_100000751502_200011996143 [0,1,0,0,1,0|2,0,0]=4 4646 B17R2.3283 OC(CSc1cscn1)c2ccc(cc2)Cl 62a_200011996143_100000751502 [0,1,0,0,1,0|2,0,0]=4 4647 B17R2.3283 OC(CSc1ncc[nH]1)c2ccc(cc2)Cl 62a_100025796157_200011996143 [0,1,0,0,1,0|2,0,0]=4 4648 B17R2.3283 OC(CSc1ncc[nH]1)c2ccc(cc2)Cl 62a_200011996143_100025796157 [0,1,0,0,1,0|2,0,0]=4 4649 B17R2.3283 OC(CSc1ncco1)c2ccc(cc2)Cl 62a_100011787736_200011996143 [0,1,0,0,1,0|2,0,0]=4 4650 B17R2.3283 OC(CSc1ncco1)c2ccc(cc2)Cl 62a_200011996143_100011787736 [0,1,0,0,1,0|2,0,0]=4 4651 B17R2.3283 OC(CSc1nccs1)c2ccc(cc2)Cl 62a_100000211983_200011996143 [0,1,0,0,1,0|2,0,0]=4 4652 B17R2.3283 OC(CSc1nccs1)c2ccc(cc2)Cl 62a_200011996143_100000211983 [0,1,0,0,1,0|2,0,0]=4 4653 B17R2.3283 O[C@@H](COc1ccsc1)c2ccc(cc2)F 34a_100000106738_100000720402 [0,1,0,0,1,0|2,0,0]=4 4654 B17R2.3283 O[C@@H](COc1ccsc1)c2ccc(cc2)F 7a_100000106738_100000720402 [0,1,0,0,1,0|2,0,0]=4 4655 B17R2.3283 O[C@@H](CSc1c[nH]cn1)c2ccc(cc2)F 62a_100000720402_100000756875 [0,1,0,0,1,0|2,0,0]=4 4656 B17R2.3283 O[C@@H](CSc1c[nH]cn1)c2ccc(cc2)F 62a_100000756875_100000720402 [0,1,0,0,1,0|2,0,0]=4 4657 B17R2.3283 O[C@@H](CSc1cc[nH]n1)c2ccc(cc2)F 62a_100000062575_100000720402 [0,1,0,0,1,0|2,0,0]=4 4658 B17R2.3283 O[C@@H](CSc1cc[nH]n1)c2ccc(cc2)F 62a_100000720402_100000062575 [0,1,0,0,1,0|2,0,0]=4 4659 B17R2.3283 O[C@@H](CSc1ccco1)c2ccc(cc2)F 62a_100000720402_100009814098 [0,1,0,0,1,0|2,0,0]=4 4660 B17R2.3283 O[C@@H](CSc1ccco1)c2ccc(cc2)F 62a_100009814098_100000720402 [0,1,0,0,1,0|2,0,0]=4 4661 B17R2.3283 O[C@@H](CSc1cccs1)c2ccc(cc2)F 62a_100000720402_100011215356 [0,1,0,0,1,0|2,0,0]=4 4662 B17R2.3283 O[C@@H](CSc1cccs1)c2ccc(cc2)F 62a_100011215356_100000720402 [0,1,0,0,1,0|2,0,0]=4 4663 B17R2.3283 O[C@@H](CSc1ccoc1)c2ccc(cc2)F 62a_100000720402_100011215275 [0,1,0,0,1,0|2,0,0]=4 4664 B17R2.3283 O[C@@H](CSc1ccoc1)c2ccc(cc2)F 62a_100011215275_100000720402 [0,1,0,0,1,0|2,0,0]=4 4665 B17R2.3283 O[C@@H](CSc1ccon1)c2ccc(cc2)F 62a_100000720402_100009818083 [0,1,0,0,1,0|2,0,0]=4 4666 B17R2.3283 O[C@@H](CSc1ccon1)c2ccc(cc2)F 62a_100009818083_100000720402 [0,1,0,0,1,0|2,0,0]=4 4667 B17R2.3283 O[C@@H](CSc1ccsc1)c2ccc(cc2)F 62a_100000720402_100000738268 [0,1,0,0,1,0|2,0,0]=4 4668 B17R2.3283 O[C@@H](CSc1ccsc1)c2ccc(cc2)F 62a_100000738268_100000720402 [0,1,0,0,1,0|2,0,0]=4 4669 B17R2.3283 O[C@@H](CSc1ccsn1)c2ccc(cc2)F 62a_100000720402_100009818082 [0,1,0,0,1,0|2,0,0]=4 4670 B17R2.3283 O[C@@H](CSc1ccsn1)c2ccc(cc2)F 62a_100009818082_100000720402 [0,1,0,0,1,0|2,0,0]=4 4671 B17R2.3283 O[C@@H](CSc1cscn1)c2ccc(cc2)F 62a_100000720402_100000751502 [0,1,0,0,1,0|2,0,0]=4 4672 B17R2.3283 O[C@@H](CSc1cscn1)c2ccc(cc2)F 62a_100000751502_100000720402 [0,1,0,0,1,0|2,0,0]=4 4673 B17R2.3283 O[C@@H](CSc1ncc[nH]1)c2ccc(cc2)F 62a_100000720402_100025796157 [0,1,0,0,1,0|2,0,0]=4 4674 B17R2.3283 O[C@@H](CSc1ncc[nH]1)c2ccc(cc2)F 62a_100025796157_100000720402 [0,1,0,0,1,0|2,0,0]=4 4675 B17R2.3283 O[C@@H](CSc1ncco1)c2ccc(cc2)F 62a_100000720402_100011787736 [0,1,0,0,1,0|2,0,0]=4 4676 B17R2.3283 O[C@@H](CSc1ncco1)c2ccc(cc2)F 62a_100011787736_100000720402 [0,1,0,0,1,0|2,0,0]=4 4677 B17R2.3283 O[C@@H](CSc1nccs1)c2ccc(cc2)F 62a_100000211983_100000720402 [0,1,0,0,1,0|2,0,0]=4 4678 B17R2.3283 O[C@@H](CSc1nccs1)c2ccc(cc2)F 62a_100000720402_100000211983 [0,1,0,0,1,0|2,0,0]=4 4679 B17R2.3283 Oc1ccc(cc1)C(O)CNc2ncns2 27a_100000067596_100000693119 [0,1,0,0,1,0|2,0,0]=4 4680 B17R2.3283 Oc1ccc(cc1)C(O)CNc2nncs2 27a_100000067596_100000739804 [0,1,0,0,1,0|2,0,0]=4 4681 B17R2.3378 Oc1cccc(c1)C(O)CNc2ncns2 27a_100020657549_100000693119 [0,1,0,0,1,0|2,0,0]=4 4682 B17R2.3378 Oc1cccc(c1)C(O)CNc2nncs2 27a_100020657549_100000739804 [0,1,0,0,1,0|2,0,0]=4 4683 B17R2.3519 Cc1[nH]cnc1SCC(O)c2ccccc2 62a_100000185958_100010186451 [0,1,0,0,1,0|2,0,0]=4 4684 B17R2.3519 Cc1[nH]cnc1SCC(O)c2ccccc2 62a_100010186451_100000185958 [0,1,0,0,1,0|2,0,0]=4 4685 B17R2.3519 Cc1[nH]cnc1SC[C@@H](O)c2ccccc2 62a_100010186451_100011933945 [0,1,0,0,1,0|2,0,0]=4 4686 B17R2.3519 Cc1[nH]cnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100010186451 [0,1,0,0,1,0|2,0,0]=4 4687 B17R2.3519 Cc1c[nH]nc1SCC(O)c2ccccc2 62a_100000185958_100009871783 [0,1,0,0,1,0|2,0,0]=4 4688 B17R2.3519 Cc1c[nH]nc1SCC(O)c2ccccc2 62a_100009871783_100000185958 [0,1,0,0,1,0|2,0,0]=4 4689 B17R2.3519 Cc1c[nH]nc1SC[C@@H](O)c2ccccc2 62a_100009871783_100011933945 [0,1,0,0,1,0|2,0,0]=4 4690 B17R2.3519 Cc1c[nH]nc1SC[C@@H](O)c2ccccc2 62a_100011933945_100009871783 [0,1,0,0,1,0|2,0,0]=4 4691 B17R2.3519 Cc1ccsc1SCC(O)c2ccccc2 62a_100000185958_100010247149 [0,1,0,0,1,0|2,0,0]=4 4692 B17R2.3519 Cc1ccsc1SCC(O)c2ccccc2 62a_100010247149_100000185958 [0,1,0,0,1,0|2,0,0]=4 4693 B17R2.3519 Cc1ccsc1SC[C@@H](O)c2ccccc2 62a_100010247149_100011933945 [0,1,0,0,1,0|2,0,0]=4 4694 B17R2.3519 Cc1ccsc1SC[C@@H](O)c2ccccc2 62a_100011933945_100010247149 [0,1,0,0,1,0|2,0,0]=4 4695 B17R2.3519 Cc1cscc1SCC(O)c2ccccc2 62a_100000185958_100000759966 [0,1,0,0,1,0|2,0,0]=4 4696 B17R2.3519 Cc1cscc1SCC(O)c2ccccc2 62a_100000759966_100000185958 [0,1,0,0,1,0|2,0,0]=4 4697 B17R2.3519 Cc1cscc1SC[C@@H](O)c2ccccc2 62a_100000759966_100011933945 [0,1,0,0,1,0|2,0,0]=4 4698 B17R2.3519 Cc1cscc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000759966 [0,1,0,0,1,0|2,0,0]=4 4699 B17R2.3519 Cc1sccc1SCC(O)c2ccccc2 62a_100000185958_100000684487 [0,1,0,0,1,0|2,0,0]=4 4700 B17R2.3519 Cc1sccc1SCC(O)c2ccccc2 62a_100000684487_100000185958 [0,1,0,0,1,0|2,0,0]=4 4701 B17R2.3519 Cc1sccc1SC[C@@H](O)c2ccccc2 62a_100000684487_100011933945 [0,1,0,0,1,0|2,0,0]=4 4702 B17R2.3519 Cc1sccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000684487 [0,1,0,0,1,0|2,0,0]=4 4703 B17R2.3519 Cc1scnc1SCC(O)c2ccccc2 62a_100000185958_100000732656 [0,1,0,0,1,0|2,0,0]=4 4704 B17R2.3519 Cc1scnc1SCC(O)c2ccccc2 62a_100000732656_100000185958 [0,1,0,0,1,0|2,0,0]=4 4705 B17R2.3519 Cc1scnc1SC[C@@H](O)c2ccccc2 62a_100000732656_100011933945 [0,1,0,0,1,0|2,0,0]=4 4706 B17R2.3519 Cc1scnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000732656 [0,1,0,0,1,0|2,0,0]=4 4707 B17R2.3519 Cn1ccnc1SCC(O)c2ccccc2 62a_100000185958_100000707724 [0,1,0,0,1,0|2,0,0]=4 4708 B17R2.3519 Cn1ccnc1SCC(O)c2ccccc2 62a_100000707724_100000185958 [0,1,0,0,1,0|2,0,0]=4 4709 B17R2.3519 Cn1ccnc1SC[C@@H](O)c2ccccc2 62a_100000707724_100011933945 [0,1,0,0,1,0|2,0,0]=4 4710 B17R2.3519 Cn1ccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000707724 [0,1,0,0,1,0|2,0,0]=4 4711 B17R2.3519 Cn1ncnc1NCC(O)c2ccccc2 27a_100000210709_100000732653 [0,1,0,0,1,0|2,0,0]=4 4712 B17R2.3519 Nc1c[nH]nc1SCC(O)c2ccccc2 62a_100000185958_100010894806 [0,1,0,0,1,0|2,0,0]=4 4713 B17R2.3519 Nc1c[nH]nc1SCC(O)c2ccccc2 62a_100010894806_100000185958 [0,1,0,0,1,0|2,0,0]=4 4714 B17R2.3519 Nc1c[nH]nc1SC[C@@H](O)c2ccccc2 62a_100010894806_100011933945 [0,1,0,0,1,0|2,0,0]=4 4715 B17R2.3519 Nc1c[nH]nc1SC[C@@H](O)c2ccccc2 62a_100011933945_100010894806 [0,1,0,0,1,0|2,0,0]=4 4716 B17R2.3519 OC(CSc1cscc1Br)c2ccccc2 62a_100000185958_100010143727 [0,1,0,0,1,0|2,0,0]=4 4717 B17R2.3519 OC(CSc1cscc1Br)c2ccccc2 62a_100010143727_100000185958 [0,1,0,0,1,0|2,0,0]=4 4718 B17R2.3519 OC(CSc1n[nH]cc1Br)c2ccccc2 62a_100000185958_100015839836 [0,1,0,0,1,0|2,0,0]=4 4719 B17R2.3519 OC(CSc1n[nH]cc1Br)c2ccccc2 62a_100015839836_100000185958 [0,1,0,0,1,0|2,0,0]=4 4720 B17R2.3519 OC(CSc1sccc1Br)c2ccccc2 62a_100000185958_100012361411 [0,1,0,0,1,0|2,0,0]=4 4721 B17R2.3519 OC(CSc1sccc1Br)c2ccccc2 62a_100012361411_100000185958 [0,1,0,0,1,0|2,0,0]=4 4722 B17R2.3519 O[C@H](CSc1cscc1Br)c2ccccc2 62a_100010143727_100011933945 [0,1,0,0,1,0|2,0,0]=4 4723 B17R2.3519 O[C@H](CSc1cscc1Br)c2ccccc2 62a_100011933945_100010143727 [0,1,0,0,1,0|2,0,0]=4 4724 B17R2.3519 O[C@H](CSc1n[nH]cc1Br)c2ccccc2 62a_100011933945_100015839836 [0,1,0,0,1,0|2,0,0]=4 4725 B17R2.3519 O[C@H](CSc1n[nH]cc1Br)c2ccccc2 62a_100015839836_100011933945 [0,1,0,0,1,0|2,0,0]=4 4726 B17R2.3519 O[C@H](CSc1sccc1Br)c2ccccc2 62a_100011933945_100012361411 [0,1,0,0,1,0|2,0,0]=4 4727 B17R2.3519 O[C@H](CSc1sccc1Br)c2ccccc2 62a_100012361411_100011933945 [0,1,0,0,1,0|2,0,0]=4 4728 B17R2.3950 OC(CNc1ncns1)c2ccccc2Br 27a_100011236429_100000693119 [0,1,0,0,1,0|2,0,0]=4 4729 B17R2.3950 OC(CNc1ncns1)c2ccccc2Cl 27a_200000759403_100000693119 [0,1,0,0,1,0|2,0,0]=4 4730 B17R2.3950 OC(CNc1nncs1)c2ccccc2Br 27a_100011236429_100000739804 [0,1,0,0,1,0|2,0,0]=4 4731 B17R2.3950 OC(CNc1nncs1)c2ccccc2Cl 27a_200000759403_100000739804 [0,1,0,0,1,0|2,0,0]=4 4732 B17R2.154272 CC(O)(CNc1ncns1)c2ccccc2 27a_100011660926_100000693119 [0,1,0,0,1,0|2,0,0]=4 4733 B17R2.154272 CC(O)(CNc1nncs1)c2ccccc2 27a_100011660926_100000739804 [0,1,0,0,1,0|2,0,0]=4 4734 B19R2.286 CC(CNc1ccc(cn1)Br)Oc2ccccc2 27a_100000755676_100000686858 [0,1,0,0,0,1|1,0,0]=3 4735 B19R2.286 CC(CNc1ccc(cn1)Br)Oc2cccnc2 27a_200011219418_100000686858 [0,1,0,0,0,1|2,0,0]=4 4736 B19R2.286 CC(CNc1cnc(cn1)Br)Oc2ccccc2 27a_100000755676_100010187541 [0,1,0,0,0,1|2,0,0]=4 4737 B19R2.286 CC(CNc1cnc(cn1)F)Oc2ccccc2 27a_100000755676_100009856528 [0,1,0,0,0,1|2,0,0]=4 4738 B19R2.286 CC(CNc1ncc(cn1)Br)Oc2ccccc2 27a_100000755676_100000690281 [0,1,0,0,0,1|2,0,0]=4 4739 B19R2.286 CC(CNc1ncc(cn1)Cl)Oc2ccccc2 27a_100000755676_100011356929 [0,1,0,0,0,1|2,0,0]=4 4740 B19R2.286 CC(CNc1ncc(cn1)F)Oc2ccccc2 27a_100000755676_100000685220 [0,1,0,0,0,1|2,0,0]=4 4741 B19R2.286 Cc1ccc(cc1)NC[C@@H](O)Cc2ccccc2 34a_100000124888_100000729385 [0,1,0,0,0,1|1,0,0]=3 4742 B19R2.286 Cc1ccc(cc1)OC[C@@H](O)Cc2ccccc2 34a_100000210336_100000729385 [0,1,0,0,0,1|2,0,0]=4 4743 B19R2.286 Cc1ccc(cc1)OC[C@@H](O)Cc2ccccc2 7a_100000210336_100000729385 [0,1,0,0,0,1|2,0,0]=4 4744 B19R2.286 Cc1ccc(cc1)SC[C@@H](O)Cc2ccccc2 62a_100000186775_100000729385 [0,1,0,0,0,1|2,0,0]=4 4745 B19R2.286 Cc1ccc(cc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000186775 [0,1,0,0,0,1|2,0,0]=4 4746 B19R2.286 Cc1ccc(nc1)OC[C@@H](O)Cc2ccccc2 34a_100000759353_100000729385 [0,1,0,0,0,1|1,0,0]=3 4747 B19R2.286 Cc1ccc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000754016 [0,1,0,0,0,1|1,0,0]=3 4748 B19R2.286 Cc1ccc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100011192072_100000729385 [0,1,0,0,0,1|1,0,0]=3 4749 B19R2.286 Cc1ccc(nn1)NCC(C)Oc2ccccc2 27a_100000755676_100000744512 [0,1,0,0,0,1|2,0,0]=4 4750 B19R2.286 Cc1ccc(nn1)NCC(O)Cc2ccccc2 27a_100000752270_100000744512 [0,1,0,0,0,1|1,0,0]=3 4751 B19R2.286 Cc1ccc(nn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000744512 [0,1,0,0,0,1|2,0,0]=4 4752 B19R2.286 Cc1ccc(nn1)SC[C@@H](O)Cc2ccccc2 62a_100000744512_100000729385 [0,1,0,0,0,1|2,0,0]=4 4753 B19R2.286 Cc1cnc(cn1)NCC(C)Oc2ccccc2 27a_100000755676_100000074397 [0,1,0,0,0,1|2,0,0]=4 4754 B19R2.286 Cc1cnc(cn1)NCC(O)Cc2ccccc2 27a_100000752270_100000074397 [0,1,0,0,0,1|1,0,0]=3 4755 B19R2.286 Cc1cnc(cn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011999403 [0,1,0,0,0,1|2,0,0]=4 4756 B19R2.286 Cc1cnc(cn1)SC[C@@H](O)Cc2ccccc2 62a_100011999403_100000729385 [0,1,0,0,0,1|2,0,0]=4 4757 B19R2.286 Cc1cnc(nc1)NCC(C)Oc2ccccc2 27a_100000755676_100000061069 [0,1,0,0,0,1|2,0,0]=4 4758 B19R2.286 Cc1cnc(nc1)NCC(O)Cc2ccccc2 27a_100000752270_100000061069 [0,1,0,0,0,1|1,0,0]=3 4759 B19R2.286 Cc1cnc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000061069_100000729385 [0,1,0,0,0,1|2,0,0]=4 4760 B19R2.286 Cc1cnc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000061069 [0,1,0,0,0,1|2,0,0]=4 4761 B19R2.286 Nc1ccc(cc1)OC[C@@H](O)Cc2ccccc2 34a_100000185829_100000729385 [0,1,0,0,0,1|2,0,0]=4 4762 B19R2.286 Nc1ccc(cc1)SC[C@@H](O)Cc2ccccc2 62a_100000185761_100000729385 [0,1,0,0,0,1|2,0,0]=4 4763 B19R2.286 Nc1ccc(cc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000185761 [0,1,0,0,0,1|2,0,0]=4 4764 B19R2.286 Nc1ccc(nc1)OC[C@@H](O)Cc2ccccc2 34a_100000729260_100000729385 [0,1,0,0,0,1|1,0,0]=3 4765 B19R2.286 Nc1ccc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000737798 [0,1,0,0,0,1|1,0,0]=3 4766 B19R2.286 Nc1ccc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000737798_100000729385 [0,1,0,0,0,1|1,0,0]=3 4767 B19R2.286 Nc1ccc(nn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100010219413 [0,1,0,0,0,1|2,0,0]=4 4768 B19R2.286 Nc1ccc(nn1)SC[C@@H](O)Cc2ccccc2 62a_100010219413_100000729385 [0,1,0,0,0,1|2,0,0]=4 4769 B19R2.286 Nc1cnc(cn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000744751 [0,1,0,0,0,1|2,0,0]=4 4770 B19R2.286 Nc1cnc(cn1)SC[C@@H](O)Cc2ccccc2 62a_100000744751_100000729385 [0,1,0,0,0,1|2,0,0]=4 4771 B19R2.286 Nc1cnc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000068403_100000729385 [0,1,0,0,0,1|2,0,0]=4 4772 B19R2.286 Nc1cnc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000068403 [0,1,0,0,0,1|2,0,0]=4 4773 B19R2.286 Nc1ncc(nn1)NCC(O)Cc2ccccc2 27a_100000752270_100000691435 [0,1,0,0,0,1|2,0,0]=4 4774 B19R2.286 O=C(CNc1ccc(cn1)Br)Nc2ccccc2 27a_100000742222_100000686858 [0,1,0,0,0,1|0,0,2]=4 4775 B19R2.286 O=c1ccc(n[nH]1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100009820020 [0,1,0,0,0,1|2,0,0]=4 4776 B19R2.286 O=c1ccc(n[nH]1)SC[C@@H](O)Cc2ccccc2 62a_100009820020_100000729385 [0,1,0,0,0,1|2,0,0]=4 4777 B19R2.286 OC(CNc1ccc(cn1)Br)Cc2ccccc2 27a_100000752270_100000686858 [0,1,0,0,0,1|0,0,0]=2 4778 B19R2.286 OC(CNc1cnc(cn1)Br)Cc2ccccc2 27a_100000752270_100010187541 [0,1,0,0,0,1|1,0,0]=3 4779 B19R2.286 OC(CNc1cnc(cn1)F)Cc2ccccc2 27a_100000752270_100009856528 [0,1,0,0,0,1|1,0,0]=3 4780 B19R2.286 OC(CNc1ncc(cn1)Br)Cc2ccccc2 27a_100000752270_100000690281 [0,1,0,0,0,1|1,0,0]=3 4781 B19R2.286 OC(CNc1ncc(cn1)Cl)Cc2ccccc2 27a_100000752270_100011356929 [0,1,0,0,0,1|1,0,0]=3 4782 B19R2.286 OC(CNc1ncc(cn1)F)Cc2ccccc2 27a_100000752270_100000685220 [0,1,0,0,0,1|1,0,0]=3 4783 B19R2.286 O[C@H](CNc1ccc(cc1)Br)Cc2ccccc2 2230a_100000210018_100000729385 [0,1,0,0,0,1|1,0,0]=3 4784 B19R2.286 O[C@H](CNc1ccc(cc1)Br)Cc2ccccc2 34a_100000210018_100000729385 [0,1,0,0,0,1|1,0,0]=3 4785 B19R2.286 O[C@H](CNc1ccc(cc1)Cl)Cc2ccccc2 2230a_100000210052_100000729385 [0,1,0,0,0,1|1,0,0]=3 4786 B19R2.286 O[C@H](CNc1ccc(cc1)Cl)Cc2ccccc2 34a_100000210052_100000729385 [0,1,0,0,0,1|1,0,0]=3 4787 B19R2.286 O[C@H](CNc1ccc(cc1)F)Cc2ccccc2 34a_100000185862_100000729385 [0,1,0,0,0,1|1,0,0]=3 4788 B19R2.286 O[C@H](CNc1ccc(cc1)I)Cc2ccccc2 34a_100000185761_100000729385 [0,1,0,0,0,1|1,0,0]=3 4789 B19R2.286 O[C@H](COc1ccc(cc1)Br)Cc2ccccc2 34a_100000185759_100000729385 [0,1,0,0,0,1|2,0,0]=4 4790 B19R2.286 O[C@H](COc1ccc(cc1)Br)Cc2ccccc2 7a_100000185759_100000729385 [0,1,0,0,0,1|2,0,0]=4 4791 B19R2.286 O[C@H](COc1ccc(cc1)Cl)Cc2ccccc2 34a_100000210216_100000729385 [0,1,0,0,0,1|2,0,0]=4 4792 B19R2.286 O[C@H](COc1ccc(cc1)Cl)Cc2ccccc2 7a_100000210216_100000729385 [0,1,0,0,0,1|2,0,0]=4 4793 B19R2.286 O[C@H](COc1ccc(cc1)F)Cc2ccccc2 34a_100000210339_100000729385 [0,1,0,0,0,1|2,0,0]=4 4794 B19R2.286 O[C@H](COc1ccc(cc1)I)Cc2ccccc2 34a_100000212066_100000729385 [0,1,0,0,0,1|2,0,0]=4 4795 B19R2.286 O[C@H](COc1ccc(cc1)I)Cc2ccccc2 7a_100000212066_100000729385 [0,1,0,0,0,1|2,0,0]=4 4796 B19R2.286 O[C@H](COc1ccc(cn1)Cl)Cc2ccccc2 34a_100011215309_100000729385 [0,1,0,0,0,1|1,0,0]=3 4797 B19R2.286 O[C@H](COc1ccc(cn1)F)Cc2ccccc2 34a_100000742473_100000729385 [0,1,0,0,0,1|1,0,0]=3 4798 B19R2.286 O[C@H](COc1cnc(cn1)Br)Cc2ccccc2 34a_100011934580_100000729385 [0,1,0,0,0,1|2,0,0]=4 4799 B19R2.286 O[C@H](COc1cnc(cn1)Cl)Cc2ccccc2 34a_100015839800_100000729385 [0,1,0,0,0,1|2,0,0]=4 4800 B19R2.286 O[C@H](COc1ncc(cn1)F)Cc2ccccc2 34a_100011934040_100000729385 [0,1,0,0,0,1|2,0,0]=4 4801 B19R2.286 O[C@H](CSc1ccc(cc1)Br)Cc2ccccc2 62a_100000729385_100000752885 [0,1,0,0,0,1|2,0,0]=4 4802 B19R2.286 O[C@H](CSc1ccc(cc1)Br)Cc2ccccc2 62a_100000752885_100000729385 [0,1,0,0,0,1|2,0,0]=4 4803 B19R2.286 O[C@H](CSc1ccc(cc1)Cl)Cc2ccccc2 62a_100000729385_100000755918 [0,1,0,0,0,1|2,0,0]=4 4804 B19R2.286 O[C@H](CSc1ccc(cc1)Cl)Cc2ccccc2 62a_100000755918_100000729385 [0,1,0,0,0,1|2,0,0]=4 4805 B19R2.286 O[C@H](CSc1ccc(cc1)F)Cc2ccccc2 62a_100000211213_100000729385 [0,1,0,0,0,1|2,0,0]=4 4806 B19R2.286 O[C@H](CSc1ccc(cc1)F)Cc2ccccc2 62a_100000729385_100000211213 [0,1,0,0,0,1|2,0,0]=4 4807 B19R2.286 O[C@H](CSc1ccc(cn1)Br)Cc2ccccc2 62a_100000686858_100000729385 [0,1,0,0,0,1|1,0,0]=3 4808 B19R2.286 O[C@H](CSc1ccc(cn1)Br)Cc2ccccc2 62a_100000729385_100000686858 [0,1,0,0,0,1|1,0,0]=3 4809 B19R2.286 O[C@H](CSc1ccc(cn1)Cl)Cc2ccccc2 62a_100000729385_100011356976 [0,1,0,0,0,1|1,0,0]=3 4810 B19R2.286 O[C@H](CSc1ccc(cn1)Cl)Cc2ccccc2 62a_100011356976_100000729385 [0,1,0,0,0,1|1,0,0]=3 4811 B19R2.286 O[C@H](CSc1ccc(cn1)F)Cc2ccccc2 62a_100000729385_100000744514 [0,1,0,0,0,1|1,0,0]=3 4812 B19R2.286 O[C@H](CSc1ccc(cn1)F)Cc2ccccc2 62a_100000744514_100000729385 [0,1,0,0,0,1|1,0,0]=3 4813 B19R2.286 O[C@H](CSc1ccc(nn1)Cl)Cc2ccccc2 62a_100000068654_100000729385 [0,1,0,0,0,1|2,0,0]=4 4814 B19R2.286 O[C@H](CSc1ccc(nn1)Cl)Cc2ccccc2 62a_100000729385_100000068654 [0,1,0,0,0,1|2,0,0]=4 4815 B19R2.286 O[C@H](CSc1cnc(cn1)Br)Cc2ccccc2 62a_100000729385_100010187541 [0,1,0,0,0,1|2,0,0]=4 4816 B19R2.286 O[C@H](CSc1cnc(cn1)Br)Cc2ccccc2 62a_100010187541_100000729385 [0,1,0,0,0,1|2,0,0]=4 4817 B19R2.286 O[C@H](CSc1cnc(cn1)Cl)Cc2ccccc2 62a_100000729385_100010214907 [0,1,0,0,0,1|2,0,0]=4 4818 B19R2.286 O[C@H](CSc1cnc(cn1)Cl)Cc2ccccc2 62a_100010214907_100000729385 [0,1,0,0,0,1|2,0,0]=4 4819 B19R2.286 O[C@H](CSc1cnc(cn1)F)Cc2ccccc2 62a_100000729385_100009856528 [0,1,0,0,0,1|2,0,0]=4 4820 B19R2.286 O[C@H](CSc1cnc(cn1)F)Cc2ccccc2 62a_100009856528_100000729385 [0,1,0,0,0,1|2,0,0]=4 4821 B19R2.286 O[C@H](CSc1ncc(cn1)Br)Cc2ccccc2 62a_100000690281_100000729385 [0,1,0,0,0,1|2,0,0]=4 4822 B19R2.286 O[C@H](CSc1ncc(cn1)Br)Cc2ccccc2 62a_100000729385_100000690281 [0,1,0,0,0,1|2,0,0]=4 4823 B19R2.286 O[C@H](CSc1ncc(cn1)Cl)Cc2ccccc2 62a_100000729385_100011356929 [0,1,0,0,0,1|2,0,0]=4 4824 B19R2.286 O[C@H](CSc1ncc(cn1)Cl)Cc2ccccc2 62a_100011356929_100000729385 [0,1,0,0,0,1|2,0,0]=4 4825 B19R2.286 O[C@H](CSc1ncc(cn1)F)Cc2ccccc2 62a_100000685220_100000729385 [0,1,0,0,0,1|2,0,0]=4 4826 B19R2.286 O[C@H](CSc1ncc(cn1)F)Cc2ccccc2 62a_100000729385_100000685220 [0,1,0,0,0,1|2,0,0]=4 4827 B19R2.286 Oc1ccc(cc1)NC[C@@H](O)Cc2ccccc2 34a_100000185829_100000729385 [0,1,0,0,0,1|1,0,0]=3 4828 B19R2.286 Oc1ccc(cc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000185759 [0,1,0,0,0,1|2,0,0]=4 4829 B19R2.286 Oc1ccc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000685995_100000729385 [0,1,0,0,0,1|1,0,0]=3 4830 B19R2.286 Oc1ccc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000744096 [0,1,0,0,0,1|1,0,0]=3 4831 B19R2.286 Oc1cnc(cn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100015839800 [0,1,0,0,0,1|2,0,0]=4 4832 B19R2.286 Oc1cnc(cn1)SC[C@@H](O)Cc2ccccc2 62a_100011934580_100000729385 [0,1,0,0,0,1|2,0,0]=4 4833 B19R2.286 Oc1cnc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000092845 [0,1,0,0,0,1|2,0,0]=4 4834 B19R2.286 Oc1cnc(nc1)SC[C@@H](O)Cc2ccccc2 62a_100000730009_100000729385 [0,1,0,0,0,1|2,0,0]=4 4835 B19R2.3967 OCC(CNc1cccnn1)Cc2ccccc2 27a_100160572655_100016991348 [0,1,0,0,0,1|1,0,0]=3 4836 B19R2.3967 OCC(CNc1ccncn1)Cc2ccccc2 27a_100160572655_100000703185 [0,1,0,0,0,1|1,0,0]=3 4837 B19R2.3967 OCC(CNc1cnccn1)Cc2ccccc2 27a_100160572655_100000211759 [0,1,0,0,0,1|1,0,0]=3 4838 B19R2.3967 OCC(CNc1ncccn1)Cc2ccccc2 27a_100160572655_100000211032 [0,1,0,0,0,1|1,0,0]=3 4839 B19R2.3967 OCC(Cc1ccccc1)NCc2ccccn2 207a_100000739027_100000209966 [0,1,0,0,0,1|2,0,0]=4 4840 B19R2.3967 OCC(Cc1ccccc1)NCc2ccccn2 2230a_100000739027_100000721315 [0,1,0,0,0,1|2,0,0]=4 4841 B19R2.3967 OCC(Cc1ccccc1)NCc2ccccn2 270004a_100000739027_100000209966 [0,1,0,0,0,1|2,0,0]=4 4842 B19R2.4482 CC(CNc1ncccc1Br)Oc2ccccc2 27a_100000755676_100000696092 [0,1,0,0,0,1|1,0,0]=3 4843 B19R2.4482 CC(CNc1ncccc1Br)Oc2cccnc2 27a_200011219418_100000696092 [0,1,0,0,0,1|2,0,0]=4 4844 B19R2.4482 CC(CNc1nccnc1F)Oc2ccccc2 27a_100000755676_200010125657 [0,1,0,0,0,1|2,0,0]=4 4845 B19R2.4482 CC(CNc1ncncc1F)Oc2ccccc2 27a_100000755676_100000069762 [0,1,0,0,0,1|2,0,0]=4 4846 B19R2.4482 CC(CNc1ncncc1N)Oc2ccccc2 27a_100000755676_100000709731 [0,1,0,0,0,1|2,0,0]=4 4847 B19R2.4482 C[n+]1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000212160 [0,1,0,0,0,1|1,0,1]=4 4848 B19R2.4482 Cc1ccccc1NC[C@@H](O)Cc2ccccc2 34a_100015192222_100000729385 [0,1,0,0,0,1|1,0,0]=3 4849 B19R2.4482 Cc1ccccc1OC[C@@H](O)Cc2ccccc2 34a_100000210338_100000729385 [0,1,0,0,0,1|2,0,0]=4 4850 B19R2.4482 Cc1ccccc1OC[C@@H](O)Cc2ccccc2 7a_100000210338_100000729385 [0,1,0,0,0,1|2,0,0]=4 4851 B19R2.4482 Cc1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000210755_100000729385 [0,1,0,0,0,1|2,0,0]=4 4852 B19R2.4482 Cc1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000210755 [0,1,0,0,0,1|2,0,0]=4 4853 B19R2.4482 Cc1cccnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000751373 [0,1,0,0,0,1|1,0,0]=3 4854 B19R2.4482 Cc1cccnc1SC[C@@H](O)Cc2ccccc2 62a_100000751373_100000729385 [0,1,0,0,0,1|1,0,0]=3 4855 B19R2.4482 Cc1ccnnc1NCC(C)Oc2ccccc2 27a_100000755676_100000089043 [0,1,0,0,0,1|2,0,0]=4 4856 B19R2.4482 Cc1ccnnc1NCC(O)Cc2ccccc2 27a_100000752270_100000089043 [0,1,0,0,0,1|1,0,0]=3 4857 B19R2.4482 Cc1ccnnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000089043 [0,1,0,0,0,1|2,0,0]=4 4858 B19R2.4482 Cc1cnccc1NCC(O)Cc2ccccc2 27a_100000752270_100000765111 [0,1,0,0,0,1|2,0,0]=4 4859 B19R2.4482 Cc1cncnc1NCC(C)Oc2ccccc2 27a_100000755676_100011998708 [0,1,0,0,0,1|2,0,0]=4 4860 B19R2.4482 Cc1cncnc1NCC(O)Cc2ccccc2 27a_100000752270_100011998708 [0,1,0,0,0,1|1,0,0]=3 4861 B19R2.4482 Cc1cncnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011998708 [0,1,0,0,0,1|2,0,0]=4 4862 B19R2.4482 Cc1cncnc1SC[C@@H](O)Cc2ccccc2 62a_100011998708_100000729385 [0,1,0,0,0,1|2,0,0]=4 4863 B19R2.4482 Cc1nccnc1NCC(C)Oc2ccccc2 27a_100000755676_100011999405 [0,1,0,0,0,1|2,0,0]=4 4864 B19R2.4482 Cc1nccnc1NCC(O)Cc2ccccc2 27a_100000752270_100011999405 [0,1,0,0,0,1|1,0,0]=3 4865 B19R2.4482 Cc1nccnc1OC[C@@H](O)Cc2ccccc2 34a_100000766352_100000729385 [0,1,0,0,0,1|2,0,0]=4 4866 B19R2.4482 Cc1nccnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011999405 [0,1,0,0,0,1|2,0,0]=4 4867 B19R2.4482 Cc1nccnc1SC[C@@H](O)Cc2ccccc2 62a_100011999405_100000729385 [0,1,0,0,0,1|2,0,0]=4 4868 B19R2.4482 Nc1ccccc1OC[C@@H](O)Cc2ccccc2 34a_100000185747_100000729385 [0,1,0,0,0,1|2,0,0]=4 4869 B19R2.4482 Nc1ccccc1OC[C@@H](O)Cc2ccccc2 7a_100000185747_100000729385 [0,1,0,0,0,1|2,0,0]=4 4870 B19R2.4482 Nc1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000210017_100000729385 [0,1,0,0,0,1|2,0,0]=4 4871 B19R2.4482 Nc1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000210017 [0,1,0,0,0,1|2,0,0]=4 4872 B19R2.4482 Nc1cccnc1OC[C@@H](O)Cc2ccccc2 34a_100000746358_100000729385 [0,1,0,0,0,1|1,0,0]=3 4873 B19R2.4482 Nc1cccnc1SC[C@@H](O)Cc2ccccc2 62a_100000688686_100000729385 [0,1,0,0,0,1|1,0,0]=3 4874 B19R2.4482 Nc1cccnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000688686 [0,1,0,0,0,1|1,0,0]=3 4875 B19R2.4482 Nc1cncnc1NCC(O)Cc2ccccc2 27a_100000752270_100000709731 [0,1,0,0,0,1|1,0,0]=3 4876 B19R2.4482 Nc1cncnc1SC[C@@H](O)Cc2ccccc2 62a_100000709731_100000729385 [0,1,0,0,0,1|2,0,0]=4 4877 B19R2.4482 Nc1cncnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000709731 [0,1,0,0,0,1|2,0,0]=4 4878 B19R2.4482 Nc1nccnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000747729 [0,1,0,0,0,1|2,0,0]=4 4879 B19R2.4482 Nc1nccnc1SC[C@@H](O)Cc2ccccc2 62a_100000747729_100000729385 [0,1,0,0,0,1|2,0,0]=4 4880 B19R2.4482 O=C(CNc1ncccc1Br)Nc2ccccc2 27a_100000742222_100000696092 [0,1,0,0,0,1|0,0,2]=4 4881 B19R2.4482 O=c1[nH]ccnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000763361 [0,1,0,0,0,1|2,0,0]=4 4882 B19R2.4482 OC(CNc1ccncc1Br)Cc2ccccc2 27a_100000752270_100000726257 [0,1,0,0,0,1|2,0,0]=4 4883 B19R2.4482 OC(CNc1ccncc1F)Cc2ccccc2 27a_100000752270_100000035921 [0,1,0,0,0,1|2,0,0]=4 4884 B19R2.4482 OC(CNc1ncccc1Br)Cc2ccccc2 27a_100000752270_100000696092 [0,1,0,0,0,1|0,0,0]=2 4885 B19R2.4482 OC(CNc1nccnc1F)Cc2ccccc2 27a_100000752270_200010125657 [0,1,0,0,0,1|1,0,0]=3 4886 B19R2.4482 OC(CNc1ncncc1F)Cc2ccccc2 27a_100000752270_100000069762 [0,1,0,0,0,1|1,0,0]=3 4887 B19R2.4482 O[C@H](CNc1ccccc1Br)Cc2ccccc2 34a_100000210017_100000729385 [0,1,0,0,0,1|1,0,0]=3 4888 B19R2.4482 O[C@H](CNc1ccccc1Cl)Cc2ccccc2 34a_100000185783_100000729385 [0,1,0,0,0,1|1,0,0]=3 4889 B19R2.4482 O[C@H](CNc1ccccc1F)Cc2ccccc2 34a_100000210422_100000729385 [0,1,0,0,0,1|1,0,0]=3 4890 B19R2.4482 O[C@H](CNc1ccccc1I)Cc2ccccc2 34a_100000210053_100000729385 [0,1,0,0,0,1|1,0,0]=3 4891 B19R2.4482 O[C@H](COc1ccccc1Br)Cc2ccccc2 34a_100000181306_100000729385 [0,1,0,0,0,1|2,0,0]=4 4892 B19R2.4482 O[C@H](COc1ccccc1Br)Cc2ccccc2 7a_100000181306_100000729385 [0,1,0,0,0,1|2,0,0]=4 4893 B19R2.4482 O[C@H](COc1ccccc1Cl)Cc2ccccc2 34a_100000210172_100000729385 [0,1,0,0,0,1|2,0,0]=4 4894 B19R2.4482 O[C@H](COc1ccccc1Cl)Cc2ccccc2 7a_100000210172_100000729385 [0,1,0,0,0,1|2,0,0]=4 4895 B19R2.4482 O[C@H](COc1ccccc1F)Cc2ccccc2 34a_100000210171_100000729385 [0,1,0,0,0,1|2,0,0]=4 4896 B19R2.4482 O[C@H](COc1ccccc1F)Cc2ccccc2 7a_100000210171_100000729385 [0,1,0,0,0,1|2,0,0]=4 4897 B19R2.4482 O[C@H](COc1ccccc1I)Cc2ccccc2 34a_100000739446_100000729385 [0,1,0,0,0,1|2,0,0]=4 4898 B19R2.4482 O[C@H](COc1ccccc1I)Cc2ccccc2 7a_100000739446_100000729385 [0,1,0,0,0,1|2,0,0]=4 4899 B19R2.4482 O[C@H](COc1ncccc1Cl)Cc2ccccc2 34a_100011290957_100000729385 [0,1,0,0,0,1|1,0,0]=3 4900 B19R2.4482 O[C@H](COc1ncccc1F)Cc2ccccc2 34a_100011219419_100000729385 [0,1,0,0,0,1|1,0,0]=3 4901 B19R2.4482 O[C@H](CSc1ccccc1Br)Cc2ccccc2 62a_100000695589_100000729385 [0,1,0,0,0,1|2,0,0]=4 4902 B19R2.4482 O[C@H](CSc1ccccc1Br)Cc2ccccc2 62a_100000729385_100000695589 [0,1,0,0,0,1|2,0,0]=4 4903 B19R2.4482 O[C@H](CSc1ccccc1Cl)Cc2ccccc2 62a_100000729385_100000764095 [0,1,0,0,0,1|2,0,0]=4 4904 B19R2.4482 O[C@H](CSc1ccccc1Cl)Cc2ccccc2 62a_100000764095_100000729385 [0,1,0,0,0,1|2,0,0]=4 4905 B19R2.4482 O[C@H](CSc1ccccc1F)Cc2ccccc2 62a_100000729385_100011215700 [0,1,0,0,0,1|2,0,0]=4 4906 B19R2.4482 O[C@H](CSc1ccccc1F)Cc2ccccc2 62a_100011215700_100000729385 [0,1,0,0,0,1|2,0,0]=4 4907 B19R2.4482 O[C@H](CSc1ncccc1Br)Cc2ccccc2 62a_100000696092_100000729385 [0,1,0,0,0,1|1,0,0]=3 4908 B19R2.4482 O[C@H](CSc1ncccc1Br)Cc2ccccc2 62a_100000729385_100000696092 [0,1,0,0,0,1|1,0,0]=3 4909 B19R2.4482 O[C@H](CSc1ncccc1Cl)Cc2ccccc2 62a_100000729385_100011356963 [0,1,0,0,0,1|1,0,0]=3 4910 B19R2.4482 O[C@H](CSc1ncccc1Cl)Cc2ccccc2 62a_100011356963_100000729385 [0,1,0,0,0,1|1,0,0]=3 4911 B19R2.4482 O[C@H](CSc1ncccc1F)Cc2ccccc2 62a_100000685392_100000729385 [0,1,0,0,0,1|1,0,0]=3 4912 B19R2.4482 O[C@H](CSc1ncccc1F)Cc2ccccc2 62a_100000729385_100000685392 [0,1,0,0,0,1|1,0,0]=3 4913 B19R2.4482 O[C@H](CSc1nccnc1Cl)Cc2ccccc2 62a_100000729385_100010886584 [0,1,0,0,0,1|2,0,0]=4 4914 B19R2.4482 O[C@H](CSc1nccnc1Cl)Cc2ccccc2 62a_100010886584_100000729385 [0,1,0,0,0,1|2,0,0]=4 4915 B19R2.4482 O[C@H](CSc1nccnc1F)Cc2ccccc2 62a_100000729385_200010125657 [0,1,0,0,0,1|2,0,0]=4 4916 B19R2.4482 O[C@H](CSc1nccnc1F)Cc2ccccc2 62a_200010125657_100000729385 [0,1,0,0,0,1|2,0,0]=4 4917 B19R2.4482 O[C@H](CSc1ncncc1F)Cc2ccccc2 62a_100000069762_100000729385 [0,1,0,0,0,1|2,0,0]=4 4918 B19R2.4482 O[C@H](CSc1ncncc1F)Cc2ccccc2 62a_100000729385_100000069762 [0,1,0,0,0,1|2,0,0]=4 4919 B19R2.4482 Oc1ccccc1NC[C@@H](O)Cc2ccccc2 34a_100000185747_100000729385 [0,1,0,0,0,1|1,0,0]=3 4920 B19R2.4482 Oc1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000739446 [0,1,0,0,0,1|2,0,0]=4 4921 B19R2.4482 Oc1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000739446_100000729385 [0,1,0,0,0,1|2,0,0]=4 4922 B19R2.4482 Oc1cccnc1SC[C@@H](O)Cc2ccccc2 62a_100000034122_100000729385 [0,1,0,0,0,1|1,0,0]=3 4923 B19R2.4482 Oc1cccnc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000034122 [0,1,0,0,0,1|1,0,0]=3 4924 B19R2.4482 [O-][n+]1ccccc1OC[C@@H](O)Cc2ccccc2 7a_100000211761_100000729385 [0,1,0,0,0,1|1,0,1]=4 4925 B19R2.4482 [O-][n+]1ccccc1SC[C@@H](O)Cc2ccccc2 62a_100000729385_200000042595 [0,1,0,0,0,1|1,0,1]=4 4926 B19R2.4485 CC(CNc1cccnn1)Oc2ccccc2Cl 27a_100000763343_100016991348 [0,1,0,0,0,1|2,0,0]=4 4927 B19R2.4485 CC(CNc1ccncn1)Oc2ccccc2Cl 27a_100000763343_100000703185 [0,1,0,0,0,1|2,0,0]=4 4928 B19R2.4485 CC(CNc1cnccn1)Oc2ccccc2Cl 27a_100000763343_100000211759 [0,1,0,0,0,1|2,0,0]=4 4929 B19R2.4485 CC(CNc1ncccn1)Oc2ccccc2Cl 27a_100000763343_100000211032 [0,1,0,0,0,1|2,0,0]=4 4930 B19R2.7672 CC(CNc1c[n+](ccn1)[O-])Oc2ccccc2 27a_100000755676_100009880115 [0,1,0,0,0,1|2,0,0]=4 4931 B19R2.7672 CC(CNc1cc(ccn1)F)Oc2ccccc2 27a_100000755676_100000764206 [0,1,0,0,0,1|1,0,0]=3 4932 B19R2.7672 CC(CNc1cc(ccn1)F)Oc2cccnc2 27a_200011219418_100000764206 [0,1,0,0,0,1|2,0,0]=4 4933 B19R2.7672 CC(CNc1cc(ncn1)F)Oc2ccccc2 27a_100000755676_200009880791 [0,1,0,0,0,1|2,0,0]=4 4934 B19R2.7672 CC(CNc1cc(ncn1)N)Oc2ccccc2 27a_100000755676_100000701291 [0,1,0,0,0,1|2,0,0]=4 4935 B19R2.7672 CC(CNc1cc(ncn1)O)Oc2ccccc2 27a_100000755676_100000765262 [0,1,0,0,0,1|2,0,0]=4 4936 B19R2.7672 CC(CNc1cc[nH]c(=O)n1)Oc2ccccc2 27a_100000755676_200000134032 [0,1,0,0,0,1|2,0,0]=4 4937 B19R2.7672 CC(CNc1cccc(n1)F)Oc2ccccc2 27a_100000755676_100009815982 [0,1,0,0,0,1|1,0,0]=3 4938 B19R2.7672 CC(CNc1cccc(n1)F)Oc2cccnc2 27a_200011219418_100009815982 [0,1,0,0,0,1|2,0,0]=4 4939 B19R2.7672 CC(CNc1ccnc(n1)N)Oc2ccccc2 27a_100000755676_100000055538 [0,1,0,0,0,1|2,0,0]=4 4940 B19R2.7672 CC(CNc1cncc(n1)Cl)Oc2ccccc2 27a_100000755676_100010892449 [0,1,0,0,0,1|2,0,0]=4 4941 B19R2.7672 CC(CNc1cncc(n1)F)Oc2ccccc2 27a_100000755676_200009863489 [0,1,0,0,0,1|2,0,0]=4 4942 B19R2.7672 CC(CNc1nccc(n1)N)Oc2ccccc2 27a_100000755676_100000757536 [0,1,0,0,0,1|2,0,0]=4 4943 B19R2.7672 CC(CNc1nccc(n1)O)Oc2ccccc2 27a_100000755676_100011649813 [0,1,0,0,0,1|2,0,0]=4 4944 B19R2.7672 Cc1cc(ccn1)NCC(O)Cc2ccccc2 27a_100000752270_100000758586 [0,1,0,0,0,1|2,0,0]=4 4945 B19R2.7672 Cc1cc(ncn1)NCC(C)Oc2ccccc2 27a_100000755676_100000744208 [0,1,0,0,0,1|2,0,0]=4 4946 B19R2.7672 Cc1cc(ncn1)NCC(O)Cc2ccccc2 27a_100000752270_100000744208 [0,1,0,0,0,1|1,0,0]=3 4947 B19R2.7672 Cc1cc(ncn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000744208 [0,1,0,0,0,1|2,0,0]=4 4948 B19R2.7672 Cc1cc(ncn1)SC[C@@H](O)Cc2ccccc2 62a_100000744208_100000729385 [0,1,0,0,0,1|2,0,0]=4 4949 B19R2.7672 Cc1cccc(c1)NC[C@@H](O)Cc2ccccc2 2230a_100000188690_100000729385 [0,1,0,0,0,1|1,0,0]=3 4950 B19R2.7672 Cc1cccc(c1)NC[C@@H](O)Cc2ccccc2 34a_100000188690_100000729385 [0,1,0,0,0,1|1,0,0]=3 4951 B19R2.7672 Cc1cccc(c1)OC[C@@H](O)Cc2ccccc2 34a_100000210337_100000729385 [0,1,0,0,0,1|2,0,0]=4 4952 B19R2.7672 Cc1cccc(c1)OC[C@@H](O)Cc2ccccc2 7a_100000210337_100000729385 [0,1,0,0,0,1|2,0,0]=4 4953 B19R2.7672 Cc1cccc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011215228 [0,1,0,0,0,1|2,0,0]=4 4954 B19R2.7672 Cc1cccc(c1)SC[C@@H](O)Cc2ccccc2 62a_100011215228_100000729385 [0,1,0,0,0,1|2,0,0]=4 4955 B19R2.7672 Cc1cccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000742759 [0,1,0,0,0,1|1,0,0]=3 4956 B19R2.7672 Cc1cccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000742759_100000729385 [0,1,0,0,0,1|1,0,0]=3 4957 B19R2.7672 Cc1ccnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000750283 [0,1,0,0,0,1|1,0,0]=3 4958 B19R2.7672 Cc1ccnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000750283_100000729385 [0,1,0,0,0,1|1,0,0]=3 4959 B19R2.7672 Cc1ccnc(n1)NCC(C)Oc2ccccc2 27a_100000755676_100000750684 [0,1,0,0,0,1|2,0,0]=4 4960 B19R2.7672 Cc1ccnc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100000750684 [0,1,0,0,0,1|1,0,0]=3 4961 B19R2.7672 Cc1ccnc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011243806 [0,1,0,0,0,1|2,0,0]=4 4962 B19R2.7672 Cc1ccnc(n1)SC[C@@H](O)Cc2ccccc2 62a_100011243806_100000729385 [0,1,0,0,0,1|2,0,0]=4 4963 B19R2.7672 Cc1cncc(n1)NCC(C)Oc2ccccc2 27a_100000755676_100000754123 [0,1,0,0,0,1|2,0,0]=4 4964 B19R2.7672 Cc1cncc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100000754123 [0,1,0,0,0,1|1,0,0]=3 4965 B19R2.7672 Cc1cncc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000754123 [0,1,0,0,0,1|2,0,0]=4 4966 B19R2.7672 Cc1cncc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000754123_100000729385 [0,1,0,0,0,1|2,0,0]=4 4967 B19R2.7672 Cc1cnnc(c1)NCC(C)Oc2ccccc2 27a_100000755676_100000070100 [0,1,0,0,0,1|2,0,0]=4 4968 B19R2.7672 Cc1cnnc(c1)NCC(O)Cc2ccccc2 27a_100000752270_100000070100 [0,1,0,0,0,1|1,0,0]=3 4969 B19R2.7672 Cc1cnnc(c1)OC[C@@H](O)Cc2ccccc2 34a_100000766097_100000729385 [0,1,0,0,0,1|2,0,0]=4 4970 B19R2.7672 Cc1cnnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000070100_100000729385 [0,1,0,0,0,1|2,0,0]=4 4971 B19R2.7672 Cc1cnnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000070100 [0,1,0,0,0,1|2,0,0]=4 4972 B19R2.7672 Cc1nccc(n1)NCC(C)Oc2ccccc2 27a_100000755676_100000749937 [0,1,0,0,0,1|2,0,0]=4 4973 B19R2.7672 Cc1nccc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100000749937 [0,1,0,0,0,1|1,0,0]=3 4974 B19R2.7672 Cc1nccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000749937 [0,1,0,0,0,1|2,0,0]=4 4975 B19R2.7672 Cc1nccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000749937_100000729385 [0,1,0,0,0,1|2,0,0]=4 4976 B19R2.7672 Nc1cc(ncn1)NCC(O)Cc2ccccc2 27a_100000752270_100000701291 [0,1,0,0,0,1|1,0,0]=3 4977 B19R2.7672 Nc1cc(ncn1)SC[C@@H](O)Cc2ccccc2 62a_100000701291_100000729385 [0,1,0,0,0,1|2,0,0]=4 4978 B19R2.7672 Nc1cc(ncn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000701291 [0,1,0,0,0,1|2,0,0]=4 4979 B19R2.7672 Nc1cccc(c1)OC[C@@H](O)Cc2ccccc2 34a_100000210217_100000729385 [0,1,0,0,0,1|2,0,0]=4 4980 B19R2.7672 Nc1cccc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000210019_100000729385 [0,1,0,0,0,1|2,0,0]=4 4981 B19R2.7672 Nc1cccc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000210019 [0,1,0,0,0,1|2,0,0]=4 4982 B19R2.7672 Nc1cccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000740741 [0,1,0,0,0,1|1,0,0]=3 4983 B19R2.7672 Nc1cccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000740741_100000729385 [0,1,0,0,0,1|1,0,0]=3 4984 B19R2.7672 Nc1ccnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100009814236 [0,1,0,0,0,1|1,0,0]=3 4985 B19R2.7672 Nc1ccnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100009814236_100000729385 [0,1,0,0,0,1|1,0,0]=3 4986 B19R2.7672 Nc1ccnc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100000757536 [0,1,0,0,0,1|1,0,0]=3 4987 B19R2.7672 Nc1ccnc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000757536 [0,1,0,0,0,1|2,0,0]=4 4988 B19R2.7672 Nc1ccnc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000757536_100000729385 [0,1,0,0,0,1|2,0,0]=4 4989 B19R2.7672 Nc1cncc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000747728 [0,1,0,0,0,1|2,0,0]=4 4990 B19R2.7672 Nc1cncc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000747728_100000729385 [0,1,0,0,0,1|2,0,0]=4 4991 B19R2.7672 Nc1cnnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011996757 [0,1,0,0,0,1|2,0,0]=4 4992 B19R2.7672 Nc1cnnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100011996757_100000729385 [0,1,0,0,0,1|2,0,0]=4 4993 B19R2.7672 Nc1nccc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100000055538 [0,1,0,0,0,1|1,0,0]=3 4994 B19R2.7672 Nc1nccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000055538_100000729385 [0,1,0,0,0,1|2,0,0]=4 4995 B19R2.7672 Nc1nccc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000055538 [0,1,0,0,0,1|2,0,0]=4 4996 B19R2.7672 Nc1ncnc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100000123831 [0,1,0,0,0,1|2,0,0]=4 4997 B19R2.7672 O=C(CNc1cc(ccn1)F)Nc2ccccc2 27a_100000742222_100000764206 [0,1,0,0,0,1|0,0,2]=4 4998 B19R2.7672 O=C(CNc1cccc(n1)F)Nc2ccccc2 27a_100000742222_100009815982 [0,1,0,0,0,1|0,0,2]=4 4999 B19R2.7672 O=c1cc(cc[nH]1)NCC(O)Cc2ccccc2 27a_100000752270_100000061649 [0,1,0,0,0,1|2,0,0]=4 5000 B19R2.7672 O=c1cc(nc[nH]1)SC[C@@H](O)Cc2ccccc2 62a_100012002517_100000729385 [0,1,0,0,0,1|2,0,0]=4 5001 B19R2.7672 O=c1cc[nH]c(c1)SC[C@@H](O)Cc2ccccc2 62a_100009817434_100000729385 [0,1,0,0,0,1|1,0,1]=4 5002 B19R2.7672 O=c1cccc([nH]1)OC[C@@H](O)Cc2ccccc2 34a_100000033347_100000729385 [0,1,0,0,0,1|1,0,1]=4 5003 B19R2.7672 O=c1cccc([nH]1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000752884 [0,1,0,0,0,1|1,0,1]=4 5004 B19R2.7672 O=c1nc(cc[nH]1)NCC(O)Cc2ccccc2 27a_100000752270_200000134032 [0,1,0,0,0,1|1,0,0]=3 5005 B19R2.7672 O=c1nc(cc[nH]1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_200000134032 [0,1,0,0,0,1|2,0,0]=4 5006 B19R2.7672 OC(CNc1cc(ccn1)F)Cc2ccccc2 27a_100000752270_100000764206 [0,1,0,0,0,1|0,0,0]=2 5007 B19R2.7672 OC(CNc1cc(ncn1)F)Cc2ccccc2 27a_100000752270_200009880791 [0,1,0,0,0,1|1,0,0]=3 5008 B19R2.7672 OC(CNc1cccc(n1)F)Cc2ccccc2 27a_100000752270_100009815982 [0,1,0,0,0,1|0,0,0]=2 5009 B19R2.7672 OC(CNc1ccnc(c1)F)Cc2ccccc2 27a_100000752270_100009816116 [0,1,0,0,0,1|2,0,0]=4 5010 B19R2.7672 OC(CNc1cncc(n1)Cl)Cc2ccccc2 27a_100000752270_100010892449 [0,1,0,0,0,1|1,0,0]=3 5011 B19R2.7672 OC(CNc1cncc(n1)F)Cc2ccccc2 27a_100000752270_200009863489 [0,1,0,0,0,1|1,0,0]=3 5012 B19R2.7672 O[C@H](CNc1cccc(c1)Br)Cc2ccccc2 34a_100000210019_100000729385 [0,1,0,0,0,1|1,0,0]=3 5013 B19R2.7672 O[C@H](CNc1cccc(c1)Cl)Cc2ccccc2 34a_100000185859_100000729385 [0,1,0,0,0,1|1,0,0]=3 5014 B19R2.7672 O[C@H](CNc1cccc(c1)F)Cc2ccccc2 34a_100000210047_100000729385 [0,1,0,0,0,1|1,0,0]=3 5015 B19R2.7672 O[C@H](CNc1cccc(c1)I)Cc2ccccc2 34a_100000211102_100000729385 [0,1,0,0,0,1|1,0,0]=3 5016 B19R2.7672 O[C@H](COc1cccc(c1)Br)Cc2ccccc2 34a_100000210342_100000729385 [0,1,0,0,0,1|2,0,0]=4 5017 B19R2.7672 O[C@H](COc1cccc(c1)Br)Cc2ccccc2 7a_100000210342_100000729385 [0,1,0,0,0,1|2,0,0]=4 5018 B19R2.7672 O[C@H](COc1cccc(c1)Cl)Cc2ccccc2 34a_100000210295_100000729385 [0,1,0,0,0,1|2,0,0]=4 5019 B19R2.7672 O[C@H](COc1cccc(c1)Cl)Cc2ccccc2 7a_100000210295_100000729385 [0,1,0,0,0,1|2,0,0]=4 5020 B19R2.7672 O[C@H](COc1cccc(c1)F)Cc2ccccc2 34a_100000210426_100000729385 [0,1,0,0,0,1|2,0,0]=4 5021 B19R2.7672 O[C@H](COc1cccc(c1)F)Cc2ccccc2 7a_100000210426_100000729385 [0,1,0,0,0,1|2,0,0]=4 5022 B19R2.7672 O[C@H](COc1cccc(c1)I)Cc2ccccc2 34a_100000211634_100000729385 [0,1,0,0,0,1|2,0,0]=4 5023 B19R2.7672 O[C@H](COc1cccc(c1)I)Cc2ccccc2 7a_100000211634_100000729385 [0,1,0,0,0,1|2,0,0]=4 5024 B19R2.7672 O[C@H](COc1cccc(n1)F)Cc2ccccc2 34a_100011432558_100000729385 [0,1,0,0,0,1|1,0,0]=3 5025 B19R2.7672 O[C@H](CSc1cc(ccn1)Cl)Cc2ccccc2 62a_100000729385_100010167805 [0,1,0,0,0,1|1,0,0]=3 5026 B19R2.7672 O[C@H](CSc1cc(ccn1)Cl)Cc2ccccc2 62a_100010167805_100000729385 [0,1,0,0,0,1|1,0,0]=3 5027 B19R2.7672 O[C@H](CSc1cc(ccn1)F)Cc2ccccc2 62a_100000729385_100000764206 [0,1,0,0,0,1|1,0,0]=3 5028 B19R2.7672 O[C@H](CSc1cc(ccn1)F)Cc2ccccc2 62a_100000764206_100000729385 [0,1,0,0,0,1|1,0,0]=3 5029 B19R2.7672 O[C@H](CSc1cc(ncn1)Cl)Cc2ccccc2 62a_100000729385_100010161198 [0,1,0,0,0,1|2,0,0]=4 5030 B19R2.7672 O[C@H](CSc1cc(ncn1)Cl)Cc2ccccc2 62a_100010161198_100000729385 [0,1,0,0,0,1|2,0,0]=4 5031 B19R2.7672 O[C@H](CSc1cc(ncn1)F)Cc2ccccc2 62a_100000729385_200009880791 [0,1,0,0,0,1|2,0,0]=4 5032 B19R2.7672 O[C@H](CSc1cc(ncn1)F)Cc2ccccc2 62a_200009880791_100000729385 [0,1,0,0,0,1|2,0,0]=4 5033 B19R2.7672 O[C@H](CSc1cccc(c1)Br)Cc2ccccc2 62a_100000691529_100000729385 [0,1,0,0,0,1|2,0,0]=4 5034 B19R2.7672 O[C@H](CSc1cccc(c1)Br)Cc2ccccc2 62a_100000729385_100000691529 [0,1,0,0,0,1|2,0,0]=4 5035 B19R2.7672 O[C@H](CSc1cccc(c1)Cl)Cc2ccccc2 62a_100000699651_100000729385 [0,1,0,0,0,1|2,0,0]=4 5036 B19R2.7672 O[C@H](CSc1cccc(c1)Cl)Cc2ccccc2 62a_100000729385_100000699651 [0,1,0,0,0,1|2,0,0]=4 5037 B19R2.7672 O[C@H](CSc1cccc(c1)F)Cc2ccccc2 62a_100000685547_100000729385 [0,1,0,0,0,1|2,0,0]=4 5038 B19R2.7672 O[C@H](CSc1cccc(c1)F)Cc2ccccc2 62a_100000729385_100000685547 [0,1,0,0,0,1|2,0,0]=4 5039 B19R2.7672 O[C@H](CSc1cccc(c1)[S])Cc2ccccc2 62a_100000729385_114929384022 [0,1,0,0,0,1|2,0,0]=4 5040 B19R2.7672 O[C@H](CSc1cccc(c1)[S])Cc2ccccc2 62a_114929384022_100000729385 [0,1,0,0,0,1|2,0,0]=4 5041 B19R2.7672 O[C@H](CSc1cccc(n1)Br)Cc2ccccc2 62a_100000684672_100000729385 [0,1,0,0,0,1|1,0,0]=3 5042 B19R2.7672 O[C@H](CSc1cccc(n1)Br)Cc2ccccc2 62a_100000729385_100000684672 [0,1,0,0,0,1|1,0,0]=3 5043 B19R2.7672 O[C@H](CSc1cccc(n1)Cl)Cc2ccccc2 62a_100000051397_100000729385 [0,1,0,0,0,1|1,0,0]=3 5044 B19R2.7672 O[C@H](CSc1cccc(n1)Cl)Cc2ccccc2 62a_100000729385_100000051397 [0,1,0,0,0,1|1,0,0]=3 5045 B19R2.7672 O[C@H](CSc1cccc(n1)F)Cc2ccccc2 62a_100000729385_100009815982 [0,1,0,0,0,1|1,0,0]=3 5046 B19R2.7672 O[C@H](CSc1cccc(n1)F)Cc2ccccc2 62a_100009815982_100000729385 [0,1,0,0,0,1|1,0,0]=3 5047 B19R2.7672 O[C@H](CSc1ccnc(n1)Cl)Cc2ccccc2 62a_100000729385_100010154678 [0,1,0,0,0,1|2,0,0]=4 5048 B19R2.7672 O[C@H](CSc1ccnc(n1)Cl)Cc2ccccc2 62a_100010154678_100000729385 [0,1,0,0,0,1|2,0,0]=4 5049 B19R2.7672 O[C@H](CSc1cncc(n1)Cl)Cc2ccccc2 62a_100000729385_100010892449 [0,1,0,0,0,1|2,0,0]=4 5050 B19R2.7672 O[C@H](CSc1cncc(n1)Cl)Cc2ccccc2 62a_100010892449_100000729385 [0,1,0,0,0,1|2,0,0]=4 5051 B19R2.7672 O[C@H](CSc1cncc(n1)F)Cc2ccccc2 62a_100000729385_200009863489 [0,1,0,0,0,1|2,0,0]=4 5052 B19R2.7672 O[C@H](CSc1cncc(n1)F)Cc2ccccc2 62a_200009863489_100000729385 [0,1,0,0,0,1|2,0,0]=4 5053 B19R2.7672 Oc1cc(ncn1)NCC(O)Cc2ccccc2 27a_100000752270_100000765262 [0,1,0,0,0,1|1,0,0]=3 5054 B19R2.7672 Oc1cc(ncn1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000765262 [0,1,0,0,0,1|2,0,0]=4 5055 B19R2.7672 Oc1cccc(c1)NC[C@@H](O)Cc2ccccc2 34a_100000210217_100000729385 [0,1,0,0,0,1|1,0,0]=3 5056 B19R2.7672 Oc1cccc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000211634 [0,1,0,0,0,1|2,0,0]=4 5057 B19R2.7672 Oc1ccnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100000762945 [0,1,0,0,0,1|1,0,0]=3 5058 B19R2.7672 Oc1ccnc(n1)NCC(O)Cc2ccccc2 27a_100000752270_100011649813 [0,1,0,0,0,1|1,0,0]=3 5059 B19R2.7672 Oc1ccnc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011649813 [0,1,0,0,0,1|2,0,0]=4 5060 B19R2.7672 Oc1cncc(n1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100011269956 [0,1,0,0,0,1|2,0,0]=4 5061 B19R2.7672 Oc1cnnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_200010734679 [0,1,0,0,0,1|2,0,0]=4 5062 B19R2.7672 [O-][n+]1ccnc(c1)NCC(O)Cc2ccccc2 27a_100000752270_100009880115 [0,1,0,0,0,1|1,0,0]=3 5063 B19R2.7672 [O-][n+]1ccnc(c1)SC[C@@H](O)Cc2ccccc2 62a_100000729385_100009880115 [0,1,0,0,0,1|2,0,0]=4 5064 B19R2.8924 CC(Sc1ccccc1)C(=O)Nc2ccccn2 62a_100000719477_100015185774 [0,1,0,0,0,1|1,0,1]=4 5065 B19R2.8924 CC(Sc1ccccc1)C(=O)Nc2ccccn2 62a_100015185774_100000041952 [0,1,0,0,0,1|1,0,1]=4 5066 B19R2.8924 O=C(Cc1ccccn1)[C@H](O)Cc2ccccc2 1458a_100009816399_100000721315 [0,1,0,0,0,1|1,0,1]=4 5067 B19R2.8924 O=C(Nc1ccccc1)[C@H](O)Cc2ccccc2 22a_100000106764_100009816399 [0,1,0,0,0,1|1,0,1]=4 5068 B19R2.8929 CN(C[C@@H](O)Cc1ccccc1)c2ccccc2 2230a_100000210012_100000729385 [0,1,0,0,0,1|1,0,0]=3 5069 B19R2.8929 CN(C[C@@H](O)Cc1ccccc1)c2ccccc2 269982a_100000210012_100000729385 [0,1,0,0,0,1|1,0,0]=3 5070 B19R2.8929 CN(C[C@@H](O)Cc1ccccc1)c2ccccc2 34a_100000210012_100000729385 [0,1,0,0,0,1|1,0,0]=3 5071 B19R2.11857 CC(CNc1ccccc1)Oc2ccc(cc2)F 34a_100000106764_100010228477 [0,1,0,0,0,1|2,0,0]=4 5072 B19R2.11857 CC(CNc1cccnn1)Oc2ccc(cc2)F 27a_200020586543_100016991348 [0,1,0,0,0,1|2,0,0]=4 5073 B19R2.11857 CC(CNc1ccncn1)Oc2ccc(cc2)F 27a_200020586543_100000703185 [0,1,0,0,0,1|2,0,0]=4 5074 B19R2.11857 CC(CNc1cnccn1)Oc2ccc(cc2)F 27a_200020586543_100000211759 [0,1,0,0,0,1|2,0,0]=4 5075 B19R2.11857 CC(CNc1ncccn1)Oc2ccc(cc2)F 27a_200020586543_100000211032 [0,1,0,0,0,1|2,0,0]=4 5076 B19R2.11857 CC(CSc1ccccn1)Oc2ccc(cc2)F 62a_100010228477_100011216584 [0,1,0,0,0,1|2,0,0]=4 5077 B19R2.11857 CC(CSc1ccccn1)Oc2ccc(cc2)F 62a_100011216584_100010228477 [0,1,0,0,0,1|2,0,0]=4 5078 B19R2.11857 Cc1ccc(cc1)OC(C)CNc2cccnn2 27a_100000763606_100016991348 [0,1,0,0,0,1|2,0,0]=4 5079 B19R2.11857 Cc1ccc(cc1)OC(C)CNc2ccncn2 27a_100000763606_100000703185 [0,1,0,0,0,1|2,0,0]=4 5080 B19R2.11857 Cc1ccc(cc1)OC(C)CNc2cnccn2 27a_100000763606_100000211759 [0,1,0,0,0,1|2,0,0]=4 5081 B19R2.11857 Cc1ccc(cc1)OC(C)CNc2ncccn2 27a_100000763606_100000211032 [0,1,0,0,0,1|2,0,0]=4 5082 B19R2.16158 CC(CNc1cccnn1)N(C)c2ccccc2 27a_100000245588_100016991348 [0,1,0,0,0,1|2,0,0]=4 5083 B19R2.16158 CC(CNc1ccncn1)N(C)c2ccccc2 27a_100000245588_100000703185 [0,1,0,0,0,1|2,0,0]=4 5084 B19R2.16158 CC(CNc1cnccn1)N(C)c2ccccc2 27a_100000245588_100000211759 [0,1,0,0,0,1|2,0,0]=4 5085 B19R2.16158 CC(CNc1ncccn1)N(C)c2ccccc2 27a_100000245588_100000211032 [0,1,0,0,0,1|2,0,0]=4 5086 B19R2.2116 BrCC(OCCc1ccccn1)c2ccccc2 7a_100000185958_100015183660 [0,1,0,0,0,1|2,0,0]=4 5087 B19R2.2116 C#CC(OCCc1ccccn1)c2ccccc2 7a_100011219616_100015183660 [0,1,0,0,0,1|2,0,0]=4 5088 B19R2.2116 C=CC(OCCc1ccccn1)c2ccccc2 7a_100011215659_100015183660 [0,1,0,0,0,1|2,0,0]=4 5089 B19R2.2116 C=CC(SCCc1ccccn1)c2ccccc2 62a_100015183660_200000085779 [0,1,0,0,0,1|2,0,0]=4 5090 B19R2.2116 C=CC(SCCc1ccccn1)c2ccccc2 62a_200000085779_100015183660 [0,1,0,0,0,1|2,0,0]=4 5091 B19R2.2116 CCC(C=NNc1ccccn1)c2ccccc2 4a_100000183288_100000753018 [0,1,0,0,0,1|1,0,1]=4 5092 B19R2.2116 CCC(CNCc1ccccc1)c2ccccc2 270004a_100015324214_100000753018 [0,1,0,0,0,1|2,0,0]=4 5093 B19R2.2116 CCC(CNCc1ccccn1)c2ccccc2 270004a_100000210449_100000753018 [0,1,0,0,0,1|1,0,0]=3 5094 B19R2.2116 CCC(COCc1ccccn1)c2ccccc2 34a_100000752371_100000721315 [0,1,0,0,0,1|2,0,0]=4 5095 B19R2.2116 CCC(COCc1ccccn1)c2ccccc2 7a_100000752371_100000721315 [0,1,0,0,0,1|2,0,0]=4 5096 B19R2.2116 CCC(NCCc1ccccn1)c2ccccc2 2230a_100000737752_100015183660 [0,1,0,0,0,1|2,0,0]=4 5097 B19R2.2116 CCC(NCCc1ccccn1)c2ccccc2 269862a_100000211156_100000210124 [0,1,0,0,0,1|2,0,0]=4 5098 B19R2.2116 CCC(OCCc1ccccn1)c2ccccc2 7a_100000698172_100015183660 [0,1,0,0,0,1|2,0,0]=4 5099 B19R2.2116 COC(COCc1ccccc1)c2ccccc2 34a_100011215540_100015291786 [0,1,0,0,0,1|2,0,0]=4 5100 B19R2.2116 COC(COCc1ccccc1)c2ccccc2 7a_100011215540_100000211182 [0,1,0,0,0,1|2,0,0]=4 5101 B19R2.2116 COC(COCc1ccccn1)c2ccccc2 34a_100011215540_100000721315 [0,1,0,0,0,1|1,0,0]=3 5102 B19R2.2116 COC(COCc1ccccn1)c2ccccc2 7a_100011215540_100000721315 [0,1,0,0,0,1|1,0,0]=3 5103 B19R2.2116 COC(COCc1cccnn1)c2ccccc2 34a_100011215540_100016990269 [0,1,0,0,0,1|2,0,0]=4 5104 B19R2.2116 COC(COCc1cccnn1)c2ccccc2 7a_100011215540_100016990269 [0,1,0,0,0,1|2,0,0]=4 5105 B19R2.2116 COC(COCc1cnccn1)c2ccccc2 34a_100011215540_100016995436 [0,1,0,0,0,1|2,0,0]=4 5106 B19R2.2116 COC(COCc1cnccn1)c2ccccc2 7a_100011215540_100016995436 [0,1,0,0,0,1|2,0,0]=4 5107 B19R2.2116 COC(COCc1ncccn1)c2ccccc2 34a_100011215540_100000703007 [0,1,0,0,0,1|2,0,0]=4 5108 B19R2.2116 COC(COCc1ncccn1)c2ccccc2 7a_100011215540_100000703007 [0,1,0,0,0,1|2,0,0]=4 5109 B19R2.2116 CO[C@@H](CNCc1ccccc1)c2ccccc2 34a_100000067136_200000210301 [0,1,0,0,0,1|1,0,0]=3 5110 B19R2.2116 ClC[C@@H](OCCc1ccccn1)c2ccccc2 7a_100011933945_100015183660 [0,1,0,0,0,1|2,0,0]=4 5111 B19R2.2116 N#CC(OCCc1ccccn1)c2ccccc2 7a_100011217353_100015183660 [0,1,0,0,0,1|2,0,0]=4 5112 B19R2.2116 OCC(=NNCc1ccccn1)c2ccccc2 4a_100000736832_100000748912 [0,1,0,0,0,1|1,0,1]=4 5113 B19R2.2116 OCC(NCCc1ccccn1)c2ccccn2 2230a_100015196888_100015183660 [0,1,0,0,0,1|2,0,0]=4 5114 B19R2.2116 OC[C@@H](NCCc1ccccc1)c2ccccc2 2230a_100000751927_100000765856 [0,1,0,0,0,1|2,0,0]=4 5115 B19R2.2116 OC[C@@H](NCCc1ccccc1)c2ccccc2 34a_100000751927_100000765856 [0,1,0,0,0,1|2,0,0]=4 5116 B19R2.2116 OC[C@@H](NCCc1ccccn1)c2ccccc2 2230a_100000751927_100015183660 [0,1,0,0,0,1|1,0,0]=3 5117 B19R2.2116 OC[C@@H](NCCc1ccccn1)c2ccncc2 2230a_100138412524_100015183660 [0,1,0,0,0,1|2,0,0]=4 5118 B19R2.2116 OC[C@@H](NCSc1ccccc1)c2ccccc2 2230a_100000751927_100011218342 [0,1,0,0,0,1|2,0,0]=4 5119 B19R2.2116 [13CH3]O[C@@H](CNCc1ccccc1)c2ccccc2 34a_100000067136_200025704644 [0,1,0,0,0,1|1,0,0]=3 5120 B19R2.4201 CC(CNCc1ccccc1)c2ccc(cc2)O 207a_200015188644_100015611070 [0,1,0,0,0,1|2,0,0]=4 5121 B19R2.4201 CC(CNCc1ccccc1)c2ccc(cc2)O 270004a_200015188644_100015611070 [0,1,0,0,0,1|2,0,0]=4 5122 B19R2.4201 CC(CNCc1ccccc1)c2ccc(cc2)O 34a_200015188644_100015291786 [0,1,0,0,0,1|2,0,0]=4 5123 B19R2.4201 CC(CNCc1ccccn1)c2ccc(cc2)O 207a_200015188644_100000209966 [0,1,0,0,0,1|1,0,0]=3 5124 B19R2.4201 CC(CNCc1ccccn1)c2ccc(cc2)O 270004a_200015188644_100000209966 [0,1,0,0,0,1|1,0,0]=3 5125 B19R2.4201 CC(CNCc1ccccn1)c2ccc(cc2)O 34a_200015188644_100000721315 [0,1,0,0,0,1|1,0,0]=3 5126 B19R2.4201 CC(CNCc1cccnn1)c2ccc(cc2)O 34a_200015188644_100016990269 [0,1,0,0,0,1|2,0,0]=4 5127 B19R2.4201 CC(CNCc1cnccn1)c2ccc(cc2)O 270004a_200015188644_100000749867 [0,1,0,0,0,1|2,0,0]=4 5128 B19R2.4201 CC(CNCc1cnccn1)c2ccc(cc2)O 34a_200015188644_100016995436 [0,1,0,0,0,1|2,0,0]=4 5129 B19R2.4201 CC(CNCc1ncccn1)c2ccc(cc2)O 270004a_200015188644_100011532527 [0,1,0,0,0,1|2,0,0]=4 5130 B19R2.4201 CC(CNCc1ncccn1)c2ccc(cc2)O 34a_200015188644_100000703007 [0,1,0,0,0,1|2,0,0]=4 5131 B19R2.4201 CC(NCCc1ccccn1)c2ccc(cc2)Br 269862a_100000211156_100000185794 [0,1,0,0,0,1|2,0,0]=4 5132 B19R2.4201 CC(NCCc1ccccn1)c2ccc(cc2)Cl 269862a_100000211156_100000185797 [0,1,0,0,0,1|2,0,0]=4 5133 B19R2.4201 CC(NCCc1ccccn1)c2ccc(cc2)F 269862a_100000211156_100000185800 [0,1,0,0,0,1|2,0,0]=4 5134 B19R2.4201 CC(NCCc1ccccn1)c2ccc(cc2)I 269862a_100000211156_100000185465 [0,1,0,0,0,1|2,0,0]=4 5135 B19R2.4201 CC(OCCc1ccccn1)c2ccc(cc2)Br 34a_100000210271_100000755118 [0,1,0,0,0,1|2,0,0]=4 5136 B19R2.4201 CC(OCCc1ccccn1)c2ccc(cc2)Br 7a_100000745893_100015183660 [0,1,0,0,0,1|2,0,0]=4 5137 B19R2.4201 CC(OCCc1ccccn1)c2ccc(cc2)F 34a_100000210271_100000743420 [0,1,0,0,0,1|2,0,0]=4 5138 B19R2.4201 CC(OCCc1ccccn1)c2ccc(cc2)F 7a_100000181323_100015183660 [0,1,0,0,0,1|2,0,0]=4 5139 B19R2.4201 CC(SCCc1ccccn1)c2ccc(cc2)Br 62a_100000755118_100015183660 [0,1,0,0,0,1|2,0,0]=4 5140 B19R2.4201 CC(SCCc1ccccn1)c2ccc(cc2)Br 62a_100015183660_100000755118 [0,1,0,0,0,1|2,0,0]=4 5141 B19R2.4201 CC(SCCc1ccccn1)c2ccc(cc2)Cl 62a_100000684792_100015183660 [0,1,0,0,0,1|2,0,0]=4 5142 B19R2.4201 CC(SCCc1ccccn1)c2ccc(cc2)Cl 62a_100015183660_100000684792 [0,1,0,0,0,1|2,0,0]=4 5143 B19R2.4201 CC(SCCc1ccccn1)c2ccc(cc2)F 62a_100000743420_100015183660 [0,1,0,0,0,1|2,0,0]=4 5144 B19R2.4201 CC(SCCc1ccccn1)c2ccc(cc2)F 62a_100015183660_100000743420 [0,1,0,0,0,1|2,0,0]=4 5145 B19R2.4201 C[C@@H](NCCc1ccccn1)c2ccc(cc2)Br 2230a_100000720352_100015183660 [0,1,0,0,0,1|2,0,0]=4 5146 B19R2.4201 C[C@@H](NCCc1ccccn1)c2ccc(cc2)Cl 2230a_100015205461_100015183660 [0,1,0,0,0,1|2,0,0]=4 5147 B19R2.4201 C[C@H](NCCc1ccccn1)c2ccc(cc2)F 2230a_100025705893_100015183660 [0,1,0,0,0,1|2,0,0]=4 5148 B19R2.4201 C[C@H](NCCc1ccccn1)c2ccc(cc2)I 2230a_100000753911_100015183660 [0,1,0,0,0,1|2,0,0]=4 5149 B19R2.4201 C[C@H](NCCc1ccccn1)c2ccc(cc2)O 2230a_100161106496_100015183660 [0,1,0,0,0,1|2,0,0]=4 5150 B19R2.4201 C[C@H](OCCc1ccccn1)c2ccc(cc2)Cl 7a_100011852131_100015183660 [0,1,0,0,0,1|2,0,0]=4 5151 B19R2.4201 Cc1ccc(cc1)C(C)NCCc2ccccn2 269862a_100000211156_100000185793 [0,1,0,0,0,1|2,0,0]=4 5152 B19R2.4201 Cc1ccc(cc1)C(C)OCCc2ccccn2 34a_100000210271_100011261388 [0,1,0,0,0,1|2,0,0]=4 5153 B19R2.4201 Cc1ccc(cc1)C(C)SCCc2ccccn2 62a_100011261388_100015183660 [0,1,0,0,0,1|2,0,0]=4 5154 B19R2.4201 Cc1ccc(cc1)C(C)SCCc2ccccn2 62a_100015183660_100011261388 [0,1,0,0,0,1|2,0,0]=4 5155 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccc2 207a_200020610344_100015611070 [0,1,0,0,0,1|1,0,0]=3 5156 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccc2 2230a_200020610344_100015291786 [0,1,0,0,0,1|1,0,0]=3 5157 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccc2 270004a_200020610344_100015611070 [0,1,0,0,0,1|1,0,0]=3 5158 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccc2 34a_200020610344_100015291786 [0,1,0,0,0,1|1,0,0]=3 5159 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccn2 207a_200020610344_100000209966 [0,1,0,0,0,1|0,0,0]=2 5160 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccn2 2230a_200020610344_100000721315 [0,1,0,0,0,1|0,0,0]=2 5161 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccn2 270004a_200020610344_100000209966 [0,1,0,0,0,1|0,0,0]=2 5162 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccccn2 34a_200020610344_100000721315 [0,1,0,0,0,1|0,0,0]=2 5163 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cccnc2 207a_200020610344_100000209961 [0,1,0,0,0,1|2,0,0]=4 5164 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cccnc2 2230a_200020610344_100000741622 [0,1,0,0,0,1|2,0,0]=4 5165 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cccnc2 270004a_200020610344_100000209961 [0,1,0,0,0,1|2,0,0]=4 5166 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cccnc2 34a_200020610344_100000733263 [0,1,0,0,0,1|2,0,0]=4 5167 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cccnn2 2230a_200020610344_100016990269 [0,1,0,0,0,1|1,0,0]=3 5168 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cccnn2 34a_200020610344_100016990269 [0,1,0,0,0,1|1,0,0]=3 5169 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccncc2 207a_200020610344_100000186114 [0,1,0,0,0,1|2,0,0]=4 5170 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ccncc2 2230a_200020610344_100015193705 [0,1,0,0,0,1|2,0,0]=4 5171 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cnccn2 2230a_200020610344_100016995436 [0,1,0,0,0,1|1,0,0]=3 5172 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cnccn2 270004a_200020610344_100000749867 [0,1,0,0,0,1|1,0,0]=3 5173 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2cnccn2 34a_200020610344_100016995436 [0,1,0,0,0,1|1,0,0]=3 5174 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ncccn2 2230a_200020610344_100000703007 [0,1,0,0,0,1|1,0,0]=3 5175 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ncccn2 270004a_200020610344_100011532527 [0,1,0,0,0,1|1,0,0]=3 5176 B19R2.4201 Cc1ccc(cc1)C(O)CNCc2ncccn2 34a_200020610344_100000703007 [0,1,0,0,0,1|1,0,0]=3 5177 B19R2.4201 Cc1ccc(cc1)[C@@H](C)NCCc2ccccn2 2230a_100016988085_100015183660 [0,1,0,0,0,1|2,0,0]=4 5178 B19R2.4201 Cc1ccc(cc1)[C@@H](C)OCCc2ccccn2 7a_100000690690_100015183660 [0,1,0,0,0,1|2,0,0]=4 5179 B19R2.4201 Cc1ccc(cc1)[C@@H](N)COCc2ccccn2 34a_100009818840_100000721315 [0,1,0,0,0,1|2,0,0]=4 5180 B19R2.4201 NC(COCc1ccccn1)c2ccc(cc2)Br 34a_100000734186_100000721315 [0,1,0,0,0,1|2,0,0]=4 5181 B19R2.4201 NC(COCc1ccccn1)c2ccc(cc2)F 34a_100000705410_100000721315 [0,1,0,0,0,1|2,0,0]=4 5182 B19R2.4201 N[C@H](COCc1ccccn1)c2ccc(cc2)Cl 34a_100009818818_100000721315 [0,1,0,0,0,1|2,0,0]=4 5183 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Br 207a_100020626992_100015611070 [0,1,0,0,0,1|1,0,0]=3 5184 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Br 2230a_100020626992_100015291786 [0,1,0,0,0,1|1,0,0]=3 5185 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Br 270004a_100020626992_100015611070 [0,1,0,0,0,1|1,0,0]=3 5186 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Br 34a_100020626992_100015291786 [0,1,0,0,0,1|1,0,0]=3 5187 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Cl 207a_100000736658_100015611070 [0,1,0,0,0,1|1,0,0]=3 5188 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Cl 2230a_100000736658_100015291786 [0,1,0,0,0,1|1,0,0]=3 5189 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Cl 2230a_100015324214_200011996143 [0,1,0,0,0,1|1,0,0]=3 5190 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Cl 270004a_100000736658_100015611070 [0,1,0,0,0,1|1,0,0]=3 5191 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Cl 34a_100000736658_100015291786 [0,1,0,0,0,1|1,0,0]=3 5192 B19R2.4201 OC(CNCc1ccccc1)c2ccc(cc2)Cl 34a_100015324214_200011996143 [0,1,0,0,0,1|1,0,0]=3 5193 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Br 207a_100020626992_100000209966 [0,1,0,0,0,1|0,0,0]=2 5194 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Br 2230a_100020626992_100000721315 [0,1,0,0,0,1|0,0,0]=2 5195 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Br 270004a_100020626992_100000209966 [0,1,0,0,0,1|0,0,0]=2 5196 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Br 34a_100020626992_100000721315 [0,1,0,0,0,1|0,0,0]=2 5197 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Cl 207a_100000736658_100000209966 [0,1,0,0,0,1|0,0,0]=2 5198 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Cl 2230a_100000736658_100000721315 [0,1,0,0,0,1|0,0,0]=2 5199 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Cl 270004a_100000736658_100000209966 [0,1,0,0,0,1|0,0,0]=2 5200 B19R2.4201 OC(CNCc1ccccn1)c2ccc(cc2)Cl 34a_100000736658_100000721315 [0,1,0,0,0,1|0,0,0]=2 5201 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Br 207a_100020626992_100000209961 [0,1,0,0,0,1|2,0,0]=4 5202 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Br 2230a_100020626992_100000741622 [0,1,0,0,0,1|2,0,0]=4 5203 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Br 270004a_100020626992_100000209961 [0,1,0,0,0,1|2,0,0]=4 5204 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Br 34a_100020626992_100000733263 [0,1,0,0,0,1|2,0,0]=4 5205 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Cl 207a_100000736658_100000209961 [0,1,0,0,0,1|2,0,0]=4 5206 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Cl 2230a_100000736658_100000741622 [0,1,0,0,0,1|2,0,0]=4 5207 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Cl 270004a_100000736658_100000209961 [0,1,0,0,0,1|2,0,0]=4 5208 B19R2.4201 OC(CNCc1cccnc1)c2ccc(cc2)Cl 34a_100000736658_100000733263 [0,1,0,0,0,1|2,0,0]=4 5209 B19R2.4201 OC(CNCc1cccnn1)c2ccc(cc2)Br 2230a_100020626992_100016990269 [0,1,0,0,0,1|1,0,0]=3 5210 B19R2.4201 OC(CNCc1cccnn1)c2ccc(cc2)Br 34a_100020626992_100016990269 [0,1,0,0,0,1|1,0,0]=3 5211 B19R2.4201 OC(CNCc1cccnn1)c2ccc(cc2)Cl 2230a_100000736658_100016990269 [0,1,0,0,0,1|1,0,0]=3 5212 B19R2.4201 OC(CNCc1cccnn1)c2ccc(cc2)Cl 2230a_100159270163_200011996143 [0,1,0,0,0,1|1,0,0]=3 5213 B19R2.4201 OC(CNCc1cccnn1)c2ccc(cc2)Cl 34a_100000736658_100016990269 [0,1,0,0,0,1|1,0,0]=3 5214 B19R2.4201 OC(CNCc1ccncc1)c2ccc(cc2)Br 207a_100020626992_100000186114 [0,1,0,0,0,1|2,0,0]=4 5215 B19R2.4201 OC(CNCc1ccncc1)c2ccc(cc2)Br 2230a_100020626992_100015193705 [0,1,0,0,0,1|2,0,0]=4 5216 B19R2.4201 OC(CNCc1ccncc1)c2ccc(cc2)Cl 207a_100000736658_100000186114 [0,1,0,0,0,1|2,0,0]=4 5217 B19R2.4201 OC(CNCc1ccncc1)c2ccc(cc2)Cl 2230a_100000736658_100015193705 [0,1,0,0,0,1|2,0,0]=4 5218 B19R2.4201 OC(CNCc1cnccn1)c2ccc(cc2)Br 2230a_100020626992_100016995436 [0,1,0,0,0,1|1,0,0]=3 5219 B19R2.4201 OC(CNCc1cnccn1)c2ccc(cc2)Br 270004a_100020626992_100000749867 [0,1,0,0,0,1|1,0,0]=3 5220 B19R2.4201 OC(CNCc1cnccn1)c2ccc(cc2)Br 34a_100020626992_100016995436 [0,1,0,0,0,1|1,0,0]=3 5221 B19R2.4201 OC(CNCc1cnccn1)c2ccc(cc2)Cl 2230a_100000736658_100016995436 [0,1,0,0,0,1|1,0,0]=3 5222 B19R2.4201 OC(CNCc1cnccn1)c2ccc(cc2)Cl 270004a_100000736658_100000749867 [0,1,0,0,0,1|1,0,0]=3 5223 B19R2.4201 OC(CNCc1cnccn1)c2ccc(cc2)Cl 34a_100000736658_100016995436 [0,1,0,0,0,1|1,0,0]=3 5224 B19R2.4201 OC(CNCc1ncccn1)c2ccc(cc2)Br 2230a_100020626992_100000703007 [0,1,0,0,0,1|1,0,0]=3 5225 B19R2.4201 OC(CNCc1ncccn1)c2ccc(cc2)Br 270004a_100020626992_100011532527 [0,1,0,0,0,1|1,0,0]=3 5226 B19R2.4201 OC(CNCc1ncccn1)c2ccc(cc2)Br 34a_100020626992_100000703007 [0,1,0,0,0,1|1,0,0]=3 5227 B19R2.4201 OC(CNCc1ncccn1)c2ccc(cc2)Cl 2230a_100000736658_100000703007 [0,1,0,0,0,1|1,0,0]=3 5228 B19R2.4201 OC(CNCc1ncccn1)c2ccc(cc2)Cl 270004a_100000736658_100011532527 [0,1,0,0,0,1|1,0,0]=3 5229 B19R2.4201 OC(CNCc1ncccn1)c2ccc(cc2)Cl 34a_100000736658_100000703007 [0,1,0,0,0,1|1,0,0]=3 5230 B19R2.4201 OC(COCc1ccccc1)c2ccc(cc2)Cl 34a_100000210790_200011996143 [0,1,0,0,0,1|2,0,0]=4 5231 B19R2.4201 OC(COCc1ccccc1)c2ccc(cc2)Cl 7a_100000210790_200011996143 [0,1,0,0,0,1|2,0,0]=4 5232 B19R2.4201 OC(CSCc1ccccc1)c2ccc(cc2)Cl 62a_100000211182_200011996143 [0,1,0,0,0,1|2,0,0]=4 5233 B19R2.4201 OC(CSCc1ccccc1)c2ccc(cc2)Cl 62a_200011996143_100015291786 [0,1,0,0,0,1|2,0,0]=4 5234 B19R2.4201 OC(CSCc1ccccn1)c2ccc(cc2)Cl 62a_100000721315_200011996143 [0,1,0,0,0,1|1,0,0]=3 5235 B19R2.4201 OC(CSCc1ccccn1)c2ccc(cc2)Cl 62a_200011996143_100000721315 [0,1,0,0,0,1|1,0,0]=3 5236 B19R2.4201 OC(CSCc1cccnn1)c2ccc(cc2)Cl 62a_100016990269_200011996143 [0,1,0,0,0,1|2,0,0]=4 5237 B19R2.4201 OC(CSCc1cccnn1)c2ccc(cc2)Cl 62a_200011996143_100016990269 [0,1,0,0,0,1|2,0,0]=4 5238 B19R2.4201 OC(CSCc1cnccn1)c2ccc(cc2)Cl 62a_100016995436_200011996143 [0,1,0,0,0,1|2,0,0]=4 5239 B19R2.4201 OC(CSCc1cnccn1)c2ccc(cc2)Cl 62a_200011996143_100016995436 [0,1,0,0,0,1|2,0,0]=4 5240 B19R2.4201 OC(CSCc1ncccn1)c2ccc(cc2)Cl 62a_100000703007_200011996143 [0,1,0,0,0,1|2,0,0]=4 5241 B19R2.4201 OC(CSCc1ncccn1)c2ccc(cc2)Cl 62a_200011996143_100000703007 [0,1,0,0,0,1|2,0,0]=4 5242 B19R2.4201 O[C@@H](CNCc1ccccc1)c2ccc(cc2)F 2230a_100015324214_100000720402 [0,1,0,0,0,1|1,0,0]=3 5243 B19R2.4201 O[C@@H](CNCc1ccccc1)c2ccc(cc2)F 34a_100015324214_100000720402 [0,1,0,0,0,1|1,0,0]=3 5244 B19R2.4201 O[C@@H](CNCc1cccnn1)c2ccc(cc2)F 2230a_100159270163_100000720402 [0,1,0,0,0,1|1,0,0]=3 5245 B19R2.4201 O[C@@H](COCc1ccccc1)c2ccc(cc2)F 34a_100000210790_100000720402 [0,1,0,0,0,1|2,0,0]=4 5246 B19R2.4201 O[C@@H](COCc1ccccc1)c2ccc(cc2)F 7a_100000210790_100000720402 [0,1,0,0,0,1|2,0,0]=4 5247 B19R2.4201 O[C@@H](CSCc1ccccc1)c2ccc(cc2)F 62a_100000211182_100000720402 [0,1,0,0,0,1|2,0,0]=4 5248 B19R2.4201 O[C@@H](CSCc1ccccc1)c2ccc(cc2)F 62a_100000720402_100015291786 [0,1,0,0,0,1|2,0,0]=4 5249 B19R2.4201 O[C@@H](CSCc1ccccn1)c2ccc(cc2)F 62a_100000720402_100000721315 [0,1,0,0,0,1|1,0,0]=3 5250 B19R2.4201 O[C@@H](CSCc1ccccn1)c2ccc(cc2)F 62a_100000721315_100000720402 [0,1,0,0,0,1|1,0,0]=3 5251 B19R2.4201 O[C@@H](CSCc1cccnn1)c2ccc(cc2)F 62a_100000720402_100016990269 [0,1,0,0,0,1|2,0,0]=4 5252 B19R2.4201 O[C@@H](CSCc1cccnn1)c2ccc(cc2)F 62a_100016990269_100000720402 [0,1,0,0,0,1|2,0,0]=4 5253 B19R2.4201 O[C@@H](CSCc1cnccn1)c2ccc(cc2)F 62a_100000720402_100016995436 [0,1,0,0,0,1|2,0,0]=4 5254 B19R2.4201 O[C@@H](CSCc1cnccn1)c2ccc(cc2)F 62a_100016995436_100000720402 [0,1,0,0,0,1|2,0,0]=4 5255 B19R2.4201 O[C@@H](CSCc1ncccn1)c2ccc(cc2)F 62a_100000703007_100000720402 [0,1,0,0,0,1|2,0,0]=4 5256 B19R2.4201 O[C@@H](CSCc1ncccn1)c2ccc(cc2)F 62a_100000720402_100000703007 [0,1,0,0,0,1|2,0,0]=4 5257 B19R2.4201 Oc1ccc(cc1)C(O)CNCc2ccccc2 34a_100000067596_100015291786 [0,1,0,0,0,1|1,0,0]=3 5258 B19R2.4201 Oc1ccc(cc1)C(O)CNCc2ccccn2 34a_100000067596_100000721315 [0,1,0,0,0,1|0,0,0]=2 5259 B19R2.4201 Oc1ccc(cc1)C(O)CNCc2cccnc2 34a_100000067596_100000733263 [0,1,0,0,0,1|2,0,0]=4 5260 B19R2.4201 Oc1ccc(cc1)C(O)CNCc2cccnn2 34a_100000067596_100016990269 [0,1,0,0,0,1|1,0,0]=3 5261 B19R2.4201 Oc1ccc(cc1)C(O)CNCc2cnccn2 34a_100000067596_100016995436 [0,1,0,0,0,1|1,0,0]=3 5262 B19R2.4201 Oc1ccc(cc1)C(O)CNCc2ncccn2 34a_100000067596_100000703007 [0,1,0,0,0,1|1,0,0]=3 5263 B19R2.4201 [2H]C(OCCc1ccccn1)c2ccc(cc2)F 7a_217856618577_100015183660 [0,1,0,0,0,1|2,0,0]=4 5264 B19R2.4369 CC(C=NNc1cc(ccn1)Br)c2ccccc2 4a_100000764631_100000212034 [0,1,0,0,0,1|1,0,1]=4 5265 B19R2.4369 CC(C=NNc1cc(ccn1)Cl)c2ccccc2 4a_100102524961_100000212034 [0,1,0,0,0,1|1,0,1]=4 5266 B19R2.4369 CC(C=NNc1cc(ccn1)I)c2ccccc2 4a_100010221011_100000212034 [0,1,0,0,0,1|1,0,1]=4 5267 B19R2.4369 CC(C=NNc1cccc(n1)Br)c2ccccc2 4a_100009817029_100000212034 [0,1,0,0,0,1|1,0,1]=4 5268 B19R2.4369 CC(C=NNc1cccc(n1)Cl)c2ccccc2 4a_100102524919_100000212034 [0,1,0,0,0,1|1,0,1]=4 5269 B19R2.4369 CC(C=NNc1cccc(n1)F)c2ccccc2 4a_100000075452_100000212034 [0,1,0,0,0,1|1,0,1]=4 5270 B19R2.4369 CC(CNCc1cc(ccn1)Br)c2ccccc2 2230a_100000701038_100010173614 [0,1,0,0,0,1|1,0,0]=3 5271 B19R2.4369 CC(CNCc1cc(ccn1)Br)c2ccccc2 270004a_100000701038_100009818557 [0,1,0,0,0,1|1,0,0]=3 5272 B19R2.4369 CC(CNCc1cc(ccn1)Br)c2ccccc2 34a_100000701038_100010173614 [0,1,0,0,0,1|1,0,0]=3 5273 B19R2.4369 CC(CNCc1cc(ccn1)Cl)c2ccccc2 2230a_100000701038_100016988179 [0,1,0,0,0,1|1,0,0]=3 5274 B19R2.4369 CC(CNCc1cc(ccn1)Cl)c2ccccc2 270004a_100000701038_100011998288 [0,1,0,0,0,1|1,0,0]=3 5275 B19R2.4369 CC(CNCc1cc(ccn1)Cl)c2ccccc2 34a_100000701038_100016988179 [0,1,0,0,0,1|1,0,0]=3 5276 B19R2.4369 CC(CNCc1cccc(=O)[nH]1)c2ccccc2 207a_100000701038_100011935257 [0,1,0,0,0,1|1,0,1]=4 5277 B19R2.4369 CC(CNCc1cccc(=O)[nH]1)c2ccccc2 2230a_100000696482_100000756946 [0,1,0,0,0,1|1,0,1]=4 5278 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 207a_100000701038_100000210085 [0,1,0,0,0,1|2,0,0]=4 5279 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 2230a_100000174977_100000756946 [0,1,0,0,0,1|2,0,0]=4 5280 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 2230a_100000701038_100000698116 [0,1,0,0,0,1|2,0,0]=4 5281 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 270004a_100000174977_100000212034 [0,1,0,0,0,1|2,0,0]=4 5282 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 270004a_100000701038_100000210085 [0,1,0,0,0,1|2,0,0]=4 5283 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 34a_100000174977_100000756946 [0,1,0,0,0,1|2,0,0]=4 5284 B19R2.4369 CC(CNCc1cccc(c1)Br)c2ccccc2 34a_100000701038_100000698116 [0,1,0,0,0,1|2,0,0]=4 5285 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 207a_100000701038_100000210801 [0,1,0,0,0,1|2,0,0]=4 5286 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 2230a_100000174878_100000756946 [0,1,0,0,0,1|2,0,0]=4 5287 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 2230a_100000701038_100000181238 [0,1,0,0,0,1|2,0,0]=4 5288 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 270004a_100000174878_100000212034 [0,1,0,0,0,1|2,0,0]=4 5289 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 270004a_100000701038_100000210801 [0,1,0,0,0,1|2,0,0]=4 5290 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 34a_100000174878_100000756946 [0,1,0,0,0,1|2,0,0]=4 5291 B19R2.4369 CC(CNCc1cccc(c1)Cl)c2ccccc2 34a_100000701038_100000187163 [0,1,0,0,0,1|2,0,0]=4 5292 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 207a_100000701038_100000210812 [0,1,0,0,0,1|2,0,0]=4 5293 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 2230a_100000174948_100000756946 [0,1,0,0,0,1|2,0,0]=4 5294 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 2230a_100000701038_100000230114 [0,1,0,0,0,1|2,0,0]=4 5295 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 270004a_100000174948_100000212034 [0,1,0,0,0,1|2,0,0]=4 5296 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 270004a_100000701038_100000210812 [0,1,0,0,0,1|2,0,0]=4 5297 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 34a_100000174948_100000756946 [0,1,0,0,0,1|2,0,0]=4 5298 B19R2.4369 CC(CNCc1cccc(c1)F)c2ccccc2 34a_100000701038_100000187166 [0,1,0,0,0,1|2,0,0]=4 5299 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 207a_100000701038_100000014684 [0,1,0,0,0,1|2,0,0]=4 5300 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 2230a_100000106179_100000756946 [0,1,0,0,0,1|2,0,0]=4 5301 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 2230a_100000701038_100011218688 [0,1,0,0,0,1|2,0,0]=4 5302 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 270004a_100000106179_100000212034 [0,1,0,0,0,1|2,0,0]=4 5303 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 270004a_100000701038_100000014684 [0,1,0,0,0,1|2,0,0]=4 5304 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 34a_100000106179_100000756946 [0,1,0,0,0,1|2,0,0]=4 5305 B19R2.4369 CC(CNCc1cccc(c1)I)c2ccccc2 34a_100000701038_100011218688 [0,1,0,0,0,1|2,0,0]=4 5306 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 207a_100000701038_100000188321 [0,1,0,0,0,1|2,0,0]=4 5307 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 2230a_100000701038_100011660834 [0,1,0,0,0,1|2,0,0]=4 5308 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 2230a_100000743036_100000756946 [0,1,0,0,0,1|2,0,0]=4 5309 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 270004a_100000701038_100000188321 [0,1,0,0,0,1|2,0,0]=4 5310 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 270004a_100000743036_100000212034 [0,1,0,0,0,1|2,0,0]=4 5311 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 34a_100000701038_100011660834 [0,1,0,0,0,1|2,0,0]=4 5312 B19R2.4369 CC(CNCc1cccc(c1)O)c2ccccc2 34a_100000743036_100000756946 [0,1,0,0,0,1|2,0,0]=4 5313 B19R2.4369 CC(CNCc1cccc(n1)Br)c2ccccc2 2230a_100000701038_100009889011 [0,1,0,0,0,1|1,0,0]=3 5314 B19R2.4369 CC(CNCc1cccc(n1)Br)c2ccccc2 2230a_100016987751_100000756946 [0,1,0,0,0,1|1,0,0]=3 5315 B19R2.4369 CC(CNCc1cccc(n1)Br)c2ccccc2 270004a_100000701038_100000688028 [0,1,0,0,0,1|1,0,0]=3 5316 B19R2.4369 CC(CNCc1cccc(n1)Br)c2ccccc2 34a_100000701038_100009889011 [0,1,0,0,0,1|1,0,0]=3 5317 B19R2.4369 CC(CNCc1cccc(n1)Cl)c2ccccc2 2230a_100000701038_100000086093 [0,1,0,0,0,1|1,0,0]=3 5318 B19R2.4369 CC(CNCc1cccc(n1)Cl)c2ccccc2 2230a_100016990191_100000756946 [0,1,0,0,0,1|1,0,0]=3 5319 B19R2.4369 CC(CNCc1cccc(n1)Cl)c2ccccc2 270004a_100000701038_100011361687 [0,1,0,0,0,1|1,0,0]=3 5320 B19R2.4369 CC(CNCc1cccc(n1)Cl)c2ccccc2 34a_100000701038_100000086093 [0,1,0,0,0,1|1,0,0]=3 5321 B19R2.4369 CC(CNCc1cccc(n1)F)c2ccccc2 2230a_100000701038_100009819644 [0,1,0,0,0,1|1,0,0]=3 5322 B19R2.4369 CC(CNCc1cccc(n1)F)c2ccccc2 2230a_100015188798_100000756946 [0,1,0,0,0,1|1,0,0]=3 5323 B19R2.4369 CC(CNCc1cccc(n1)F)c2ccccc2 270004a_100000701038_100000050434 [0,1,0,0,0,1|1,0,0]=3 5324 B19R2.4369 CC(CNCc1cccc(n1)F)c2ccccc2 34a_100000701038_100009819644 [0,1,0,0,0,1|1,0,0]=3 5325 B19R2.4369 CC(CNCc1cccc(n1)F)c2ccccc2 34a_100015188798_100000756946 [0,1,0,0,0,1|1,0,0]=3 5326 B19R2.4369 CC(CNCc1ccnc(n1)Cl)c2ccccc2 2230a_100000701038_100000099655 [0,1,0,0,0,1|2,0,0]=4 5327 B19R2.4369 CC(CNCc1ccnc(n1)Cl)c2ccccc2 34a_100000701038_100000099655 [0,1,0,0,0,1|2,0,0]=4 5328 B19R2.4369 CC(COCc1cc(ccn1)Br)c2ccccc2 34a_100011215166_100010173614 [0,1,0,0,0,1|2,0,0]=4 5329 B19R2.4369 CC(COCc1cc(ccn1)Br)c2ccccc2 7a_100011215166_100010173614 [0,1,0,0,0,1|2,0,0]=4 5330 B19R2.4369 CC(COCc1cc(ccn1)Cl)c2ccccc2 34a_100000748867_100000756946 [0,1,0,0,0,1|2,0,0]=4 5331 B19R2.4369 CC(COCc1cc(ccn1)Cl)c2ccccc2 34a_100011215166_100016988179 [0,1,0,0,0,1|2,0,0]=4 5332 B19R2.4369 CC(COCc1cc(ccn1)Cl)c2ccccc2 7a_100011215166_100016988179 [0,1,0,0,0,1|2,0,0]=4 5333 B19R2.4369 CC(COCc1cc(ccn1)N)c2ccccc2 34a_100000692640_100000756946 [0,1,0,0,0,1|2,0,0]=4 5334 B19R2.4369 CC(COCc1cccc(n1)Br)c2ccccc2 34a_100000694195_100000756946 [0,1,0,0,0,1|2,0,0]=4 5335 B19R2.4369 CC(COCc1cccc(n1)Br)c2ccccc2 34a_100011215166_100009889011 [0,1,0,0,0,1|2,0,0]=4 5336 B19R2.4369 CC(COCc1cccc(n1)Br)c2ccccc2 7a_100011215166_100009889011 [0,1,0,0,0,1|2,0,0]=4 5337 B19R2.4369 CC(COCc1cccc(n1)Cl)c2ccccc2 34a_100011215166_100000086093 [0,1,0,0,0,1|2,0,0]=4 5338 B19R2.4369 CC(COCc1cccc(n1)Cl)c2ccccc2 34a_100011998359_100000756946 [0,1,0,0,0,1|2,0,0]=4 5339 B19R2.4369 CC(COCc1cccc(n1)Cl)c2ccccc2 7a_100011215166_100000086093 [0,1,0,0,0,1|2,0,0]=4 5340 B19R2.4369 CC(COCc1cccc(n1)F)c2ccccc2 34a_100000086748_100000756946 [0,1,0,0,0,1|2,0,0]=4 5341 B19R2.4369 CC(COCc1cccc(n1)F)c2ccccc2 34a_100011215166_100009819644 [0,1,0,0,0,1|2,0,0]=4 5342 B19R2.4369 CC(COCc1cccc(n1)F)c2ccccc2 7a_100011215166_100009819644 [0,1,0,0,0,1|2,0,0]=4 5343 B19R2.4369 CC(CSCc1cc(ccn1)Br)c2ccccc2 62a_100000756946_100010173614 [0,1,0,0,0,1|2,0,0]=4 5344 B19R2.4369 CC(CSCc1cc(ccn1)Br)c2ccccc2 62a_100010173614_100000756946 [0,1,0,0,0,1|2,0,0]=4 5345 B19R2.4369 CC(CSCc1cc(ccn1)Cl)c2ccccc2 62a_100000756946_100016988179 [0,1,0,0,0,1|2,0,0]=4 5346 B19R2.4369 CC(CSCc1cc(ccn1)Cl)c2ccccc2 62a_100016988179_100000756946 [0,1,0,0,0,1|2,0,0]=4 5347 B19R2.4369 CC(CSCc1cccc(n1)Br)c2ccccc2 62a_100000756946_100009889011 [0,1,0,0,0,1|2,0,0]=4 5348 B19R2.4369 CC(CSCc1cccc(n1)Br)c2ccccc2 62a_100009889011_100000756946 [0,1,0,0,0,1|2,0,0]=4 5349 B19R2.4369 CC(CSCc1cccc(n1)Cl)c2ccccc2 62a_100000086093_100000756946 [0,1,0,0,0,1|2,0,0]=4 5350 B19R2.4369 CC(CSCc1cccc(n1)Cl)c2ccccc2 62a_100000756946_100000086093 [0,1,0,0,0,1|2,0,0]=4 5351 B19R2.4369 CC(CSCc1cccc(n1)F)c2ccccc2 62a_100000756946_100009819644 [0,1,0,0,0,1|2,0,0]=4 5352 B19R2.4369 CC(CSCc1cccc(n1)F)c2ccccc2 62a_100009819644_100000756946 [0,1,0,0,0,1|2,0,0]=4 5353 B19R2.4369 CC(OCCc1cccc(n1)Br)c2ccccc2 34a_100010221043_100000211855 [0,1,0,0,0,1|2,0,0]=4 5354 B19R2.4369 CC(OCCc1cccc(n1)Br)c2ccccc2 7a_100010221043_100000230085 [0,1,0,0,0,1|2,0,0]=4 5355 B19R2.4369 CN(CCNc1cc(ccn1)F)c2ccccc2 27a_100000231046_100000764206 [0,1,0,0,0,1|2,0,0]=4 5356 B19R2.4369 CN(CCNc1cccc(n1)F)c2ccccc2 27a_100000231046_100009815982 [0,1,0,0,0,1|2,0,0]=4 5357 B19R2.4369 Cc1cc(ccn1)CNCC(O)c2ccccc2 207a_100000210709_100011361630 [0,1,0,0,0,1|2,0,0]=4 5358 B19R2.4369 Cc1cc(ccn1)CNCC(O)c2ccccc2 2230a_100000210709_200020672517 [0,1,0,0,0,1|2,0,0]=4 5359 B19R2.4369 Cc1cc(ccn1)CNCC(O)c2ccccc2 270004a_100000210709_100011361630 [0,1,0,0,0,1|2,0,0]=4 5360 B19R2.4369 Cc1cc(ccn1)CNCC(O)c2ccccc2 34a_100011934566_100000185958 [0,1,0,0,0,1|2,0,0]=4 5361 B19R2.4369 Cc1cc(ccn1)CNC[C@@H](O)c2ccccc2 34a_100011934566_100011933945 [0,1,0,0,0,1|2,0,0]=4 5362 B19R2.4369 Cc1cc(ccn1)NCCC(O)c2ccccc2 27a_100000763605_100000758586 [0,1,0,0,0,1|2,0,0]=4 5363 B19R2.4369 Cc1cc(ncn1)NCCC(O)c2ccccc2 27a_100000763605_100000744208 [0,1,0,0,0,1|1,0,0]=3 5364 B19R2.4369 Cc1cc(ncn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000744208 [0,1,0,0,0,1|2,0,0]=4 5365 B19R2.4369 Cc1cc(ncn1)SCC[C@@H](O)c2ccccc2 62a_100000744208_100000729684 [0,1,0,0,0,1|2,0,0]=4 5366 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 207a_100000701038_100000211157 [0,1,0,0,0,1|2,0,0]=4 5367 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 2230a_100000185548_100000756946 [0,1,0,0,0,1|2,0,0]=4 5368 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 2230a_100000701038_100000211840 [0,1,0,0,0,1|2,0,0]=4 5369 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 270004a_100000185548_100000212034 [0,1,0,0,0,1|2,0,0]=4 5370 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 270004a_100000701038_100000211157 [0,1,0,0,0,1|2,0,0]=4 5371 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 34a_100000185548_100000756946 [0,1,0,0,0,1|2,0,0]=4 5372 B19R2.4369 Cc1cccc(c1)CNCC(C)c2ccccc2 34a_100000701038_100000211840 [0,1,0,0,0,1|2,0,0]=4 5373 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccc2 207a_100000210709_100000211157 [0,1,0,0,0,1|1,0,0]=3 5374 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccc2 2230a_100000185548_100000185958 [0,1,0,0,0,1|1,0,0]=3 5375 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccc2 2230a_100000210709_100000211840 [0,1,0,0,0,1|1,0,0]=3 5376 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccc2 270004a_100000210709_100000211157 [0,1,0,0,0,1|1,0,0]=3 5377 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccc2 34a_100000185548_100000185958 [0,1,0,0,0,1|1,0,0]=3 5378 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccn2 207a_100000691469_100000211157 [0,1,0,0,0,1|2,0,0]=4 5379 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccn2 2230a_100000691469_100000211840 [0,1,0,0,0,1|2,0,0]=4 5380 B19R2.4369 Cc1cccc(c1)CNCC(O)c2ccccn2 270004a_100000691469_100000211157 [0,1,0,0,0,1|2,0,0]=4 5381 B19R2.4369 Cc1cccc(c1)CNCC(O)c2cccnc2 207a_100020605170_100000211157 [0,1,0,0,0,1|2,0,0]=4 5382 B19R2.4369 Cc1cccc(c1)CNCC(O)c2cccnc2 2230a_100020605170_100000211840 [0,1,0,0,0,1|2,0,0]=4 5383 B19R2.4369 Cc1cccc(c1)CNCC(O)c2cccnc2 270004a_100020605170_100000211157 [0,1,0,0,0,1|2,0,0]=4 5384 B19R2.4369 Cc1cccc(c1)CNC[C@@H](O)c2ccccc2 2230a_100000185548_100011933945 [0,1,0,0,0,1|1,0,0]=3 5385 B19R2.4369 Cc1cccc(c1)CNC[C@@H](O)c2ccccc2 34a_100000185548_100011933945 [0,1,0,0,0,1|1,0,0]=3 5386 B19R2.4369 Cc1cccc(c1)COCC(O)c2ccccc2 34a_100011217746_100000185958 [0,1,0,0,0,1|2,0,0]=4 5387 B19R2.4369 Cc1cccc(c1)COCC(O)c2ccccc2 7a_100011217746_100000185958 [0,1,0,0,0,1|2,0,0]=4 5388 B19R2.4369 Cc1cccc(c1)COC[C@@H](O)c2ccccc2 34a_100011217746_100011933945 [0,1,0,0,0,1|2,0,0]=4 5389 B19R2.4369 Cc1cccc(c1)COC[C@@H](O)c2ccccc2 7a_100011217746_100011933945 [0,1,0,0,0,1|2,0,0]=4 5390 B19R2.4369 Cc1cccc(c1)CSCC(O)c2ccccc2 62a_100000185958_100000211840 [0,1,0,0,0,1|2,0,0]=4 5391 B19R2.4369 Cc1cccc(c1)CSCC(O)c2ccccc2 62a_100000211840_100000185958 [0,1,0,0,0,1|2,0,0]=4 5392 B19R2.4369 Cc1cccc(c1)CSC[C@@H](O)c2ccccc2 62a_100000211840_100011933945 [0,1,0,0,0,1|2,0,0]=4 5393 B19R2.4369 Cc1cccc(c1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000211840 [0,1,0,0,0,1|2,0,0]=4 5394 B19R2.4369 Cc1cccc(c1)NCC[C@@H](O)c2ccccc2 2230a_100000188690_100000729684 [0,1,0,0,0,1|1,0,0]=3 5395 B19R2.4369 Cc1cccc(c1)NCC[C@@H](O)c2ccccc2 34a_100000188690_100000729684 [0,1,0,0,0,1|1,0,0]=3 5396 B19R2.4369 Cc1cccc(c1)OCC[C@@H](O)c2ccccc2 34a_100000210337_100000729684 [0,1,0,0,0,1|2,0,0]=4 5397 B19R2.4369 Cc1cccc(c1)OCC[C@@H](O)c2ccccc2 7a_100000210337_100000729684 [0,1,0,0,0,1|2,0,0]=4 5398 B19R2.4369 Cc1cccc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011215228 [0,1,0,0,0,1|2,0,0]=4 5399 B19R2.4369 Cc1cccc(c1)SCC[C@@H](O)c2ccccc2 62a_100011215228_100000729684 [0,1,0,0,0,1|2,0,0]=4 5400 B19R2.4369 Cc1cccc(n1)CCNC(C)c2ccccc2 2230a_100011824523_100000230085 [0,1,0,0,0,1|2,0,0]=4 5401 B19R2.4369 Cc1cccc(n1)CCNC(C)c2ccccc2 269862a_100011824523_100000185851 [0,1,0,0,0,1|2,0,0]=4 5402 B19R2.4369 Cc1cccc(n1)CCNC(C)c2ccccc2 34a_100011824523_100000211855 [0,1,0,0,0,1|2,0,0]=4 5403 B19R2.4369 Cc1cccc(n1)CNCC(C)c2ccccc2 207a_100000701038_100011215050 [0,1,0,0,0,1|1,0,0]=3 5404 B19R2.4369 Cc1cccc(n1)CNCC(C)c2ccccc2 2230a_100000701038_100000757606 [0,1,0,0,0,1|1,0,0]=3 5405 B19R2.4369 Cc1cccc(n1)CNCC(C)c2ccccc2 270004a_100000701038_100011215050 [0,1,0,0,0,1|1,0,0]=3 5406 B19R2.4369 Cc1cccc(n1)CNCC(C)c2ccccc2 34a_100000701038_100000757606 [0,1,0,0,0,1|1,0,0]=3 5407 B19R2.4369 Cc1cccc(n1)CNCC(C)c2ccccc2 34a_100000701342_100000756946 [0,1,0,0,0,1|1,0,0]=3 5408 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccc2 207a_100000210709_100011215050 [0,1,0,0,0,1|0,0,0]=2 5409 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccc2 2230a_100000210709_100000757606 [0,1,0,0,0,1|0,0,0]=2 5410 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccc2 270004a_100000210709_100011215050 [0,1,0,0,0,1|0,0,0]=2 5411 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccc2 34a_100000701342_100000185958 [0,1,0,0,0,1|0,0,0]=2 5412 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccn2 207a_100000691469_100011215050 [0,1,0,0,0,1|1,0,0]=3 5413 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccn2 2230a_100000691469_100000757606 [0,1,0,0,0,1|1,0,0]=3 5414 B19R2.4369 Cc1cccc(n1)CNCC(O)c2ccccn2 270004a_100000691469_100011215050 [0,1,0,0,0,1|1,0,0]=3 5415 B19R2.4369 Cc1cccc(n1)CNCC(O)c2cccnc2 207a_100020605170_100011215050 [0,1,0,0,0,1|1,0,0]=3 5416 B19R2.4369 Cc1cccc(n1)CNCC(O)c2cccnc2 2230a_100020605170_100000757606 [0,1,0,0,0,1|1,0,0]=3 5417 B19R2.4369 Cc1cccc(n1)CNCC(O)c2cccnc2 270004a_100020605170_100011215050 [0,1,0,0,0,1|1,0,0]=3 5418 B19R2.4369 Cc1cccc(n1)CNC[C@@H](O)c2ccccc2 34a_100000701342_100011933945 [0,1,0,0,0,1|0,0,0]=2 5419 B19R2.4369 Cc1cccc(n1)COCC(C)c2ccccc2 34a_100000690600_100000756946 [0,1,0,0,0,1|2,0,0]=4 5420 B19R2.4369 Cc1cccc(n1)COCC(C)c2ccccc2 34a_100011215166_100000757606 [0,1,0,0,0,1|2,0,0]=4 5421 B19R2.4369 Cc1cccc(n1)COCC(C)c2ccccc2 7a_100011215166_100000757606 [0,1,0,0,0,1|2,0,0]=4 5422 B19R2.4369 Cc1cccc(n1)COCC(O)c2ccccc2 34a_100000690600_100000185958 [0,1,0,0,0,1|1,0,0]=3 5423 B19R2.4369 Cc1cccc(n1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000757606 [0,1,0,0,0,1|2,0,0]=4 5424 B19R2.4369 Cc1cccc(n1)COC[C@@H](O)c2ccccc2 34a_100000690600_100011933945 [0,1,0,0,0,1|1,0,0]=3 5425 B19R2.4369 Cc1cccc(n1)CSCC(C)c2ccccc2 62a_100000756946_100000757606 [0,1,0,0,0,1|2,0,0]=4 5426 B19R2.4369 Cc1cccc(n1)CSCC(C)c2ccccc2 62a_100000757606_100000756946 [0,1,0,0,0,1|2,0,0]=4 5427 B19R2.4369 Cc1cccc(n1)CSCC(O)c2ccccc2 62a_100000185958_100000757606 [0,1,0,0,0,1|1,0,0]=3 5428 B19R2.4369 Cc1cccc(n1)CSCC(O)c2ccccc2 62a_100000757606_100000185958 [0,1,0,0,0,1|1,0,0]=3 5429 B19R2.4369 Cc1cccc(n1)CSC[C@@H](O)c2ccccc2 62a_100000757606_100011933945 [0,1,0,0,0,1|1,0,0]=3 5430 B19R2.4369 Cc1cccc(n1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000757606 [0,1,0,0,0,1|1,0,0]=3 5431 B19R2.4369 Cc1cccc(n1)NN=CC(C)c2ccccc2 4a_100011363444_100000212034 [0,1,0,0,0,1|1,0,1]=4 5432 B19R2.4369 Cc1cccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000742759 [0,1,0,0,0,1|1,0,0]=3 5433 B19R2.4369 Cc1cccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000742759_100000729684 [0,1,0,0,0,1|1,0,0]=3 5434 B19R2.4369 Cc1ccnc(c1)CNCC(C)c2ccccc2 207a_100000701038_100011361488 [0,1,0,0,0,1|1,0,0]=3 5435 B19R2.4369 Cc1ccnc(c1)CNCC(C)c2ccccc2 2230a_100000701038_100000718516 [0,1,0,0,0,1|1,0,0]=3 5436 B19R2.4369 Cc1ccnc(c1)CNCC(C)c2ccccc2 270004a_100000701038_100011361488 [0,1,0,0,0,1|1,0,0]=3 5437 B19R2.4369 Cc1ccnc(c1)CNCC(C)c2ccccc2 34a_100000701038_100000718516 [0,1,0,0,0,1|1,0,0]=3 5438 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2ccccc2 207a_100000210709_100011361488 [0,1,0,0,0,1|0,0,0]=2 5439 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2ccccc2 2230a_100000210709_100000718516 [0,1,0,0,0,1|0,0,0]=2 5440 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2ccccc2 270004a_100000210709_100011361488 [0,1,0,0,0,1|0,0,0]=2 5441 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2ccccn2 207a_100000691469_100011361488 [0,1,0,0,0,1|1,0,0]=3 5442 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2ccccn2 2230a_100000691469_100000718516 [0,1,0,0,0,1|1,0,0]=3 5443 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2ccccn2 270004a_100000691469_100011361488 [0,1,0,0,0,1|1,0,0]=3 5444 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2cccnc2 207a_100020605170_100011361488 [0,1,0,0,0,1|1,0,0]=3 5445 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2cccnc2 2230a_100020605170_100000718516 [0,1,0,0,0,1|1,0,0]=3 5446 B19R2.4369 Cc1ccnc(c1)CNCC(O)c2cccnc2 270004a_100020605170_100011361488 [0,1,0,0,0,1|1,0,0]=3 5447 B19R2.4369 Cc1ccnc(c1)COCC(C)c2ccccc2 34a_100011215166_100000718516 [0,1,0,0,0,1|2,0,0]=4 5448 B19R2.4369 Cc1ccnc(c1)COCC(C)c2ccccc2 34a_100011998357_100000756946 [0,1,0,0,0,1|2,0,0]=4 5449 B19R2.4369 Cc1ccnc(c1)COCC(C)c2ccccc2 7a_100011215166_100000718516 [0,1,0,0,0,1|2,0,0]=4 5450 B19R2.4369 Cc1ccnc(c1)COCC(O)c2ccccc2 34a_100011998357_100000185958 [0,1,0,0,0,1|1,0,0]=3 5451 B19R2.4369 Cc1ccnc(c1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000718516 [0,1,0,0,0,1|2,0,0]=4 5452 B19R2.4369 Cc1ccnc(c1)COC[C@@H](O)c2ccccc2 34a_100011998357_100011933945 [0,1,0,0,0,1|1,0,0]=3 5453 B19R2.4369 Cc1ccnc(c1)CSCC(C)c2ccccc2 62a_100000718516_100000756946 [0,1,0,0,0,1|2,0,0]=4 5454 B19R2.4369 Cc1ccnc(c1)CSCC(C)c2ccccc2 62a_100000756946_100000718516 [0,1,0,0,0,1|2,0,0]=4 5455 B19R2.4369 Cc1ccnc(c1)CSCC(O)c2ccccc2 62a_100000185958_100000718516 [0,1,0,0,0,1|1,0,0]=3 5456 B19R2.4369 Cc1ccnc(c1)CSCC(O)c2ccccc2 62a_100000718516_100000185958 [0,1,0,0,0,1|1,0,0]=3 5457 B19R2.4369 Cc1ccnc(c1)CSC[C@@H](O)c2ccccc2 62a_100000718516_100011933945 [0,1,0,0,0,1|1,0,0]=3 5458 B19R2.4369 Cc1ccnc(c1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000718516 [0,1,0,0,0,1|1,0,0]=3 5459 B19R2.4369 Cc1ccnc(c1)NN=CC(C)c2ccccc2 4a_100000746014_100000212034 [0,1,0,0,0,1|1,0,1]=4 5460 B19R2.4369 Cc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000750283 [0,1,0,0,0,1|1,0,0]=3 5461 B19R2.4369 Cc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000750283_100000729684 [0,1,0,0,0,1|1,0,0]=3 5462 B19R2.4369 Cc1ccnc(n1)CNCC(C)c2ccccc2 2230a_100015186494_100000756946 [0,1,0,0,0,1|2,0,0]=4 5463 B19R2.4369 Cc1ccnc(n1)CNCC(O)c2ccccc2 2230a_100015186494_100000185958 [0,1,0,0,0,1|1,0,0]=3 5464 B19R2.4369 Cc1ccnc(n1)CNC[C@@H](O)c2ccccc2 2230a_100015186494_100011933945 [0,1,0,0,0,1|1,0,0]=3 5465 B19R2.4369 Cc1ccnc(n1)NCCC(O)c2ccccc2 27a_100000763605_100000750684 [0,1,0,0,0,1|1,0,0]=3 5466 B19R2.4369 Cc1ccnc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011243806 [0,1,0,0,0,1|2,0,0]=4 5467 B19R2.4369 Cc1ccnc(n1)SCC[C@@H](O)c2ccccc2 62a_100011243806_100000729684 [0,1,0,0,0,1|2,0,0]=4 5468 B19R2.4369 Cc1cncc(c1)CNCC(O)c2ccccc2 207a_100000210709_100011998712 [0,1,0,0,0,1|2,0,0]=4 5469 B19R2.4369 Cc1cncc(c1)CNCC(O)c2ccccc2 2230a_100000210709_100000716715 [0,1,0,0,0,1|2,0,0]=4 5470 B19R2.4369 Cc1cncc(c1)CNCC(O)c2ccccc2 2230a_100000692839_100000185958 [0,1,0,0,0,1|2,0,0]=4 5471 B19R2.4369 Cc1cncc(c1)CNCC(O)c2ccccc2 270004a_100000210709_100011998712 [0,1,0,0,0,1|2,0,0]=4 5472 B19R2.4369 Cc1cncc(c1)CNCC(O)c2ccccc2 34a_100000692839_100000185958 [0,1,0,0,0,1|2,0,0]=4 5473 B19R2.4369 Cc1cncc(c1)CNC[C@@H](O)c2ccccc2 2230a_100000692839_100011933945 [0,1,0,0,0,1|2,0,0]=4 5474 B19R2.4369 Cc1cncc(c1)CNC[C@@H](O)c2ccccc2 34a_100000692839_100011933945 [0,1,0,0,0,1|2,0,0]=4 5475 B19R2.4369 Cc1cncc(n1)CNCC(C)c2ccccc2 207a_100000701038_100000100294 [0,1,0,0,0,1|2,0,0]=4 5476 B19R2.4369 Cc1cncc(n1)CNCC(C)c2ccccc2 270004a_100000701038_100000100294 [0,1,0,0,0,1|2,0,0]=4 5477 B19R2.4369 Cc1cncc(n1)CNCC(O)c2ccccc2 207a_100000210709_100000100294 [0,1,0,0,0,1|1,0,0]=3 5478 B19R2.4369 Cc1cncc(n1)CNCC(O)c2ccccc2 270004a_100000210709_100000100294 [0,1,0,0,0,1|1,0,0]=3 5479 B19R2.4369 Cc1cncc(n1)CNCC(O)c2ccccn2 207a_100000691469_100000100294 [0,1,0,0,0,1|2,0,0]=4 5480 B19R2.4369 Cc1cncc(n1)CNCC(O)c2ccccn2 270004a_100000691469_100000100294 [0,1,0,0,0,1|2,0,0]=4 5481 B19R2.4369 Cc1cncc(n1)CNCC(O)c2cccnc2 207a_100020605170_100000100294 [0,1,0,0,0,1|2,0,0]=4 5482 B19R2.4369 Cc1cncc(n1)CNCC(O)c2cccnc2 270004a_100020605170_100000100294 [0,1,0,0,0,1|2,0,0]=4 5483 B19R2.4369 Cc1cncc(n1)NCCC(O)c2ccccc2 27a_100000763605_100000754123 [0,1,0,0,0,1|1,0,0]=3 5484 B19R2.4369 Cc1cncc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000754123 [0,1,0,0,0,1|2,0,0]=4 5485 B19R2.4369 Cc1cncc(n1)SCC[C@@H](O)c2ccccc2 62a_100000754123_100000729684 [0,1,0,0,0,1|2,0,0]=4 5486 B19R2.4369 Cc1cnnc(c1)COCC(O)c2ccccc2 34a_100016212594_100000185958 [0,1,0,0,0,1|2,0,0]=4 5487 B19R2.4369 Cc1cnnc(c1)COC[C@@H](O)c2ccccc2 34a_100016212594_100011933945 [0,1,0,0,0,1|2,0,0]=4 5488 B19R2.4369 Cc1cnnc(c1)NCCC(O)c2ccccc2 27a_100000763605_100000070100 [0,1,0,0,0,1|1,0,0]=3 5489 B19R2.4369 Cc1cnnc(c1)OCC[C@@H](O)c2ccccc2 34a_100000766097_100000729684 [0,1,0,0,0,1|2,0,0]=4 5490 B19R2.4369 Cc1cnnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000070100_100000729684 [0,1,0,0,0,1|2,0,0]=4 5491 B19R2.4369 Cc1cnnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000070100 [0,1,0,0,0,1|2,0,0]=4 5492 B19R2.4369 Cc1nccc(n1)CNCC(C)c2ccccc2 270004a_100000701038_100011361539 [0,1,0,0,0,1|2,0,0]=4 5493 B19R2.4369 Cc1nccc(n1)CNCC(O)c2ccccc2 270004a_100000210709_100011361539 [0,1,0,0,0,1|1,0,0]=3 5494 B19R2.4369 Cc1nccc(n1)CNCC(O)c2ccccn2 270004a_100000691469_100011361539 [0,1,0,0,0,1|2,0,0]=4 5495 B19R2.4369 Cc1nccc(n1)CNCC(O)c2cccnc2 270004a_100020605170_100011361539 [0,1,0,0,0,1|2,0,0]=4 5496 B19R2.4369 Cc1nccc(n1)NCCC(O)c2ccccc2 27a_100000763605_100000749937 [0,1,0,0,0,1|1,0,0]=3 5497 B19R2.4369 Cc1nccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000749937 [0,1,0,0,0,1|2,0,0]=4 5498 B19R2.4369 Cc1nccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000749937_100000729684 [0,1,0,0,0,1|2,0,0]=4 5499 B19R2.4369 N[C@H](COCc1cc(ccn1)Br)c2ccccc2 34a_100000751927_100010173614 [0,1,0,0,0,1|2,0,0]=4 5500 B19R2.4369 N[C@H](COCc1cc(ccn1)Cl)c2ccccc2 34a_100000751927_100016988179 [0,1,0,0,0,1|2,0,0]=4 5501 B19R2.4369 N[C@H](COCc1cccc(n1)Br)c2ccccc2 34a_100000751927_100009889011 [0,1,0,0,0,1|2,0,0]=4 5502 B19R2.4369 N[C@H](COCc1cccc(n1)Cl)c2ccccc2 34a_100000751927_100000086093 [0,1,0,0,0,1|2,0,0]=4 5503 B19R2.4369 N[C@H](COCc1cccc(n1)F)c2ccccc2 34a_100000751927_100009819644 [0,1,0,0,0,1|2,0,0]=4 5504 B19R2.4369 Nc1cc(ncn1)NCCC(O)c2ccccc2 27a_100000763605_100000701291 [0,1,0,0,0,1|1,0,0]=3 5505 B19R2.4369 Nc1cc(ncn1)SCC[C@@H](O)c2ccccc2 62a_100000701291_100000729684 [0,1,0,0,0,1|2,0,0]=4 5506 B19R2.4369 Nc1cc(ncn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000701291 [0,1,0,0,0,1|2,0,0]=4 5507 B19R2.4369 Nc1cccc(c1)COCC(O)c2ccccc2 34a_100000211919_100000185958 [0,1,0,0,0,1|2,0,0]=4 5508 B19R2.4369 Nc1cccc(c1)COC[C@@H](O)c2ccccc2 34a_100000211919_100011933945 [0,1,0,0,0,1|2,0,0]=4 5509 B19R2.4369 Nc1cccc(c1)OCC[C@@H](O)c2ccccc2 34a_100000210217_100000729684 [0,1,0,0,0,1|2,0,0]=4 5510 B19R2.4369 Nc1cccc(c1)SCC[C@@H](O)c2ccccc2 62a_100000210019_100000729684 [0,1,0,0,0,1|2,0,0]=4 5511 B19R2.4369 Nc1cccc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000210019 [0,1,0,0,0,1|2,0,0]=4 5512 B19R2.4369 Nc1cccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000740741 [0,1,0,0,0,1|1,0,0]=3 5513 B19R2.4369 Nc1cccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000740741_100000729684 [0,1,0,0,0,1|1,0,0]=3 5514 B19R2.4369 Nc1ccnc(c1)COCC(O)c2ccccc2 34a_100000692640_100000185958 [0,1,0,0,0,1|1,0,0]=3 5515 B19R2.4369 Nc1ccnc(c1)COC[C@@H](O)c2ccccc2 34a_100000692640_100011933945 [0,1,0,0,0,1|1,0,0]=3 5516 B19R2.4369 Nc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009814236 [0,1,0,0,0,1|1,0,0]=3 5517 B19R2.4369 Nc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100009814236_100000729684 [0,1,0,0,0,1|1,0,0]=3 5518 B19R2.4369 Nc1ccnc(n1)NCCC(O)c2ccccc2 27a_100000763605_100000757536 [0,1,0,0,0,1|1,0,0]=3 5519 B19R2.4369 Nc1ccnc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000757536 [0,1,0,0,0,1|2,0,0]=4 5520 B19R2.4369 Nc1ccnc(n1)SCC[C@@H](O)c2ccccc2 62a_100000757536_100000729684 [0,1,0,0,0,1|2,0,0]=4 5521 B19R2.4369 Nc1cncc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000747728 [0,1,0,0,0,1|2,0,0]=4 5522 B19R2.4369 Nc1cncc(n1)SCC[C@@H](O)c2ccccc2 62a_100000747728_100000729684 [0,1,0,0,0,1|2,0,0]=4 5523 B19R2.4369 Nc1cnnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011996757 [0,1,0,0,0,1|2,0,0]=4 5524 B19R2.4369 Nc1cnnc(c1)SCC[C@@H](O)c2ccccc2 62a_100011996757_100000729684 [0,1,0,0,0,1|2,0,0]=4 5525 B19R2.4369 Nc1nccc(n1)NCCC(O)c2ccccc2 27a_100000763605_100000055538 [0,1,0,0,0,1|1,0,0]=3 5526 B19R2.4369 Nc1nccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000055538_100000729684 [0,1,0,0,0,1|2,0,0]=4 5527 B19R2.4369 Nc1nccc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000055538 [0,1,0,0,0,1|2,0,0]=4 5528 B19R2.4369 Nc1ncnc(n1)NCCC(O)c2ccccc2 27a_100000763605_100000123831 [0,1,0,0,0,1|2,0,0]=4 5529 B19R2.4369 O=c1cc(cc[nH]1)NCCC(O)c2ccccc2 27a_100000763605_100000061649 [0,1,0,0,0,1|2,0,0]=4 5530 B19R2.4369 O=c1cc(nc[nH]1)SCC[C@@H](O)c2ccccc2 62a_100012002517_100000729684 [0,1,0,0,0,1|2,0,0]=4 5531 B19R2.4369 O=c1cc[nH]c(c1)SCC[C@@H](O)c2ccccc2 62a_100009817434_100000729684 [0,1,0,0,0,1|1,0,1]=4 5532 B19R2.4369 O=c1cccc([nH]1)CNCC(O)c2ccccc2 207a_100000210709_100011935257 [0,1,0,0,0,1|0,0,1]=3 5533 B19R2.4369 O=c1cccc([nH]1)CNCC(O)c2ccccc2 2230a_100000696482_100000185958 [0,1,0,0,0,1|0,0,1]=3 5534 B19R2.4369 O=c1cccc([nH]1)CNCC(O)c2ccccn2 207a_100000691469_100011935257 [0,1,0,0,0,1|1,0,1]=4 5535 B19R2.4369 O=c1cccc([nH]1)CNCC(O)c2cccnc2 207a_100020605170_100011935257 [0,1,0,0,0,1|1,0,1]=4 5536 B19R2.4369 O=c1cccc([nH]1)CNC[C@@H](O)c2ccccc2 2230a_100000696482_100011933945 [0,1,0,0,0,1|0,0,1]=3 5537 B19R2.4369 O=c1cccc([nH]1)OCC[C@@H](O)c2ccccc2 34a_100000033347_100000729684 [0,1,0,0,0,1|1,0,1]=4 5538 B19R2.4369 O=c1cccc([nH]1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000752884 [0,1,0,0,0,1|1,0,1]=4 5539 B19R2.4369 O=c1nc(cc[nH]1)NCCC(O)c2ccccc2 27a_100000763605_200000134032 [0,1,0,0,0,1|1,0,0]=3 5540 B19R2.4369 O=c1nc(cc[nH]1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200000134032 [0,1,0,0,0,1|2,0,0]=4 5541 B19R2.4369 OC(CCNc1cc(ccn1)F)c2ccccc2 27a_100000763605_100000764206 [0,1,0,0,0,1|0,0,0]=2 5542 B19R2.4369 OC(CCNc1cc(ncn1)F)c2ccccc2 27a_100000763605_200009880791 [0,1,0,0,0,1|1,0,0]=3 5543 B19R2.4369 OC(CCNc1cccc(n1)F)c2ccccc2 27a_100000763605_100009815982 [0,1,0,0,0,1|0,0,0]=2 5544 B19R2.4369 OC(CCNc1ccnc(c1)F)c2ccccc2 27a_100000763605_100009816116 [0,1,0,0,0,1|2,0,0]=4 5545 B19R2.4369 OC(CCNc1cncc(n1)Cl)c2ccccc2 27a_100000763605_100010892449 [0,1,0,0,0,1|1,0,0]=3 5546 B19R2.4369 OC(CCNc1cncc(n1)F)c2ccccc2 27a_100000763605_200009863489 [0,1,0,0,0,1|1,0,0]=3 5547 B19R2.4369 OC(CNCc1cc(ccn1)Br)c2ccccc2 2230a_100000210709_100010173614 [0,1,0,0,0,1|0,0,0]=2 5548 B19R2.4369 OC(CNCc1cc(ccn1)Br)c2ccccc2 270004a_100000210709_100009818557 [0,1,0,0,0,1|0,0,0]=2 5549 B19R2.4369 OC(CNCc1cc(ccn1)Br)c2ccccn2 2230a_100000691469_100010173614 [0,1,0,0,0,1|1,0,0]=3 5550 B19R2.4369 OC(CNCc1cc(ccn1)Br)c2ccccn2 270004a_100000691469_100009818557 [0,1,0,0,0,1|1,0,0]=3 5551 B19R2.4369 OC(CNCc1cc(ccn1)Br)c2cccnc2 2230a_100020605170_100010173614 [0,1,0,0,0,1|1,0,0]=3 5552 B19R2.4369 OC(CNCc1cc(ccn1)Br)c2cccnc2 270004a_100020605170_100009818557 [0,1,0,0,0,1|1,0,0]=3 5553 B19R2.4369 OC(CNCc1cc(ccn1)Cl)c2ccccc2 2230a_100000210709_100016988179 [0,1,0,0,0,1|0,0,0]=2 5554 B19R2.4369 OC(CNCc1cc(ccn1)Cl)c2ccccc2 270004a_100000210709_100011998288 [0,1,0,0,0,1|0,0,0]=2 5555 B19R2.4369 OC(CNCc1cc(ccn1)Cl)c2ccccn2 2230a_100000691469_100016988179 [0,1,0,0,0,1|1,0,0]=3 5556 B19R2.4369 OC(CNCc1cc(ccn1)Cl)c2ccccn2 270004a_100000691469_100011998288 [0,1,0,0,0,1|1,0,0]=3 5557 B19R2.4369 OC(CNCc1cc(ccn1)Cl)c2cccnc2 2230a_100020605170_100016988179 [0,1,0,0,0,1|1,0,0]=3 5558 B19R2.4369 OC(CNCc1cc(ccn1)Cl)c2cccnc2 270004a_100020605170_100011998288 [0,1,0,0,0,1|1,0,0]=3 5559 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccc2 207a_100000210709_100000210085 [0,1,0,0,0,1|1,0,0]=3 5560 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccc2 2230a_100000174977_100000185958 [0,1,0,0,0,1|1,0,0]=3 5561 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccc2 2230a_100000210709_100000698116 [0,1,0,0,0,1|1,0,0]=3 5562 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccc2 270004a_100000210709_100000210085 [0,1,0,0,0,1|1,0,0]=3 5563 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccc2 34a_100000174977_100000185958 [0,1,0,0,0,1|1,0,0]=3 5564 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccn2 207a_100000691469_100000210085 [0,1,0,0,0,1|2,0,0]=4 5565 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccn2 2230a_100000691469_100000698116 [0,1,0,0,0,1|2,0,0]=4 5566 B19R2.4369 OC(CNCc1cccc(c1)Br)c2ccccn2 270004a_100000691469_100000210085 [0,1,0,0,0,1|2,0,0]=4 5567 B19R2.4369 OC(CNCc1cccc(c1)Br)c2cccnc2 207a_100020605170_100000210085 [0,1,0,0,0,1|2,0,0]=4 5568 B19R2.4369 OC(CNCc1cccc(c1)Br)c2cccnc2 2230a_100020605170_100000698116 [0,1,0,0,0,1|2,0,0]=4 5569 B19R2.4369 OC(CNCc1cccc(c1)Br)c2cccnc2 270004a_100020605170_100000210085 [0,1,0,0,0,1|2,0,0]=4 5570 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccc2 207a_100000210709_100000210801 [0,1,0,0,0,1|1,0,0]=3 5571 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccc2 2230a_100000174878_100000185958 [0,1,0,0,0,1|1,0,0]=3 5572 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccc2 2230a_100000210709_100000181238 [0,1,0,0,0,1|1,0,0]=3 5573 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccc2 270004a_100000210709_100000210801 [0,1,0,0,0,1|1,0,0]=3 5574 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccc2 34a_100000174878_100000185958 [0,1,0,0,0,1|1,0,0]=3 5575 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccn2 207a_100000691469_100000210801 [0,1,0,0,0,1|2,0,0]=4 5576 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccn2 2230a_100000691469_100000181238 [0,1,0,0,0,1|2,0,0]=4 5577 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2ccccn2 270004a_100000691469_100000210801 [0,1,0,0,0,1|2,0,0]=4 5578 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2cccnc2 207a_100020605170_100000210801 [0,1,0,0,0,1|2,0,0]=4 5579 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2cccnc2 2230a_100020605170_100000181238 [0,1,0,0,0,1|2,0,0]=4 5580 B19R2.4369 OC(CNCc1cccc(c1)Cl)c2cccnc2 270004a_100020605170_100000210801 [0,1,0,0,0,1|2,0,0]=4 5581 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccc2 207a_100000210709_100000210812 [0,1,0,0,0,1|1,0,0]=3 5582 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccc2 2230a_100000174948_100000185958 [0,1,0,0,0,1|1,0,0]=3 5583 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccc2 2230a_100000210709_100000230114 [0,1,0,0,0,1|1,0,0]=3 5584 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccc2 270004a_100000210709_100000210812 [0,1,0,0,0,1|1,0,0]=3 5585 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccc2 34a_100000174948_100000185958 [0,1,0,0,0,1|1,0,0]=3 5586 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccn2 207a_100000691469_100000210812 [0,1,0,0,0,1|2,0,0]=4 5587 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccn2 2230a_100000691469_100000230114 [0,1,0,0,0,1|2,0,0]=4 5588 B19R2.4369 OC(CNCc1cccc(c1)F)c2ccccn2 270004a_100000691469_100000210812 [0,1,0,0,0,1|2,0,0]=4 5589 B19R2.4369 OC(CNCc1cccc(c1)F)c2cccnc2 207a_100020605170_100000210812 [0,1,0,0,0,1|2,0,0]=4 5590 B19R2.4369 OC(CNCc1cccc(c1)F)c2cccnc2 2230a_100020605170_100000230114 [0,1,0,0,0,1|2,0,0]=4 5591 B19R2.4369 OC(CNCc1cccc(c1)F)c2cccnc2 270004a_100020605170_100000210812 [0,1,0,0,0,1|2,0,0]=4 5592 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccc2 207a_100000210709_100000014684 [0,1,0,0,0,1|1,0,0]=3 5593 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccc2 2230a_100000106179_100000185958 [0,1,0,0,0,1|1,0,0]=3 5594 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccc2 2230a_100000210709_100011218688 [0,1,0,0,0,1|1,0,0]=3 5595 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccc2 270004a_100000210709_100000014684 [0,1,0,0,0,1|1,0,0]=3 5596 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccc2 34a_100000106179_100000185958 [0,1,0,0,0,1|1,0,0]=3 5597 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccn2 207a_100000691469_100000014684 [0,1,0,0,0,1|2,0,0]=4 5598 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccn2 2230a_100000691469_100011218688 [0,1,0,0,0,1|2,0,0]=4 5599 B19R2.4369 OC(CNCc1cccc(c1)I)c2ccccn2 270004a_100000691469_100000014684 [0,1,0,0,0,1|2,0,0]=4 5600 B19R2.4369 OC(CNCc1cccc(c1)I)c2cccnc2 207a_100020605170_100000014684 [0,1,0,0,0,1|2,0,0]=4 5601 B19R2.4369 OC(CNCc1cccc(c1)I)c2cccnc2 2230a_100020605170_100011218688 [0,1,0,0,0,1|2,0,0]=4 5602 B19R2.4369 OC(CNCc1cccc(c1)I)c2cccnc2 270004a_100020605170_100000014684 [0,1,0,0,0,1|2,0,0]=4 5603 B19R2.4369 OC(CNCc1cccc(n1)Br)c2ccccc2 2230a_100000210709_100009889011 [0,1,0,0,0,1|0,0,0]=2 5604 B19R2.4369 OC(CNCc1cccc(n1)Br)c2ccccc2 2230a_100016987751_100000185958 [0,1,0,0,0,1|0,0,0]=2 5605 B19R2.4369 OC(CNCc1cccc(n1)Br)c2ccccc2 270004a_100000210709_100000688028 [0,1,0,0,0,1|0,0,0]=2 5606 B19R2.4369 OC(CNCc1cccc(n1)Br)c2ccccn2 2230a_100000691469_100009889011 [0,1,0,0,0,1|1,0,0]=3 5607 B19R2.4369 OC(CNCc1cccc(n1)Br)c2ccccn2 270004a_100000691469_100000688028 [0,1,0,0,0,1|1,0,0]=3 5608 B19R2.4369 OC(CNCc1cccc(n1)Br)c2cccnc2 2230a_100020605170_100009889011 [0,1,0,0,0,1|1,0,0]=3 5609 B19R2.4369 OC(CNCc1cccc(n1)Br)c2cccnc2 270004a_100020605170_100000688028 [0,1,0,0,0,1|1,0,0]=3 5610 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2ccccc2 2230a_100000210709_100000086093 [0,1,0,0,0,1|0,0,0]=2 5611 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2ccccc2 2230a_100016990191_100000185958 [0,1,0,0,0,1|0,0,0]=2 5612 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2ccccc2 270004a_100000210709_100011361687 [0,1,0,0,0,1|0,0,0]=2 5613 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2ccccn2 2230a_100000691469_100000086093 [0,1,0,0,0,1|1,0,0]=3 5614 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2ccccn2 270004a_100000691469_100011361687 [0,1,0,0,0,1|1,0,0]=3 5615 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2cccnc2 2230a_100020605170_100000086093 [0,1,0,0,0,1|1,0,0]=3 5616 B19R2.4369 OC(CNCc1cccc(n1)Cl)c2cccnc2 270004a_100020605170_100011361687 [0,1,0,0,0,1|1,0,0]=3 5617 B19R2.4369 OC(CNCc1cccc(n1)F)c2ccccc2 2230a_100000210709_100009819644 [0,1,0,0,0,1|0,0,0]=2 5618 B19R2.4369 OC(CNCc1cccc(n1)F)c2ccccc2 2230a_100015188798_100000185958 [0,1,0,0,0,1|0,0,0]=2 5619 B19R2.4369 OC(CNCc1cccc(n1)F)c2ccccc2 270004a_100000210709_100000050434 [0,1,0,0,0,1|0,0,0]=2 5620 B19R2.4369 OC(CNCc1cccc(n1)F)c2ccccc2 34a_100015188798_100000185958 [0,1,0,0,0,1|0,0,0]=2 5621 B19R2.4369 OC(CNCc1cccc(n1)F)c2ccccn2 2230a_100000691469_100009819644 [0,1,0,0,0,1|1,0,0]=3 5622 B19R2.4369 OC(CNCc1cccc(n1)F)c2ccccn2 270004a_100000691469_100000050434 [0,1,0,0,0,1|1,0,0]=3 5623 B19R2.4369 OC(CNCc1cccc(n1)F)c2cccnc2 2230a_100020605170_100009819644 [0,1,0,0,0,1|1,0,0]=3 5624 B19R2.4369 OC(CNCc1cccc(n1)F)c2cccnc2 270004a_100020605170_100000050434 [0,1,0,0,0,1|1,0,0]=3 5625 B19R2.4369 OC(CNCc1ccnc(c1)Br)c2ccccc2 2230a_100000210709_100010243470 [0,1,0,0,0,1|2,0,0]=4 5626 B19R2.4369 OC(CNCc1ccnc(c1)Br)c2ccccc2 2230a_100025757509_100000185958 [0,1,0,0,0,1|2,0,0]=4 5627 B19R2.4369 OC(CNCc1ccnc(c1)Br)c2ccccc2 270004a_100000210709_100009814634 [0,1,0,0,0,1|2,0,0]=4 5628 B19R2.4369 OC(CNCc1ccnc(c1)Br)c2ccccc2 34a_100025757509_100000185958 [0,1,0,0,0,1|2,0,0]=4 5629 B19R2.4369 OC(CNCc1ccnc(c1)Cl)c2ccccc2 2230a_100000210709_100000764220 [0,1,0,0,0,1|2,0,0]=4 5630 B19R2.4369 OC(CNCc1ccnc(c1)Cl)c2ccccc2 2230a_100015205668_100000185958 [0,1,0,0,0,1|2,0,0]=4 5631 B19R2.4369 OC(CNCc1ccnc(c1)Cl)c2ccccc2 270004a_100000210709_100011290808 [0,1,0,0,0,1|2,0,0]=4 5632 B19R2.4369 OC(CNCc1ccnc(c1)Cl)c2ccccc2 34a_100015205668_100000185958 [0,1,0,0,0,1|2,0,0]=4 5633 B19R2.4369 OC(CNCc1ccnc(c1)F)c2ccccc2 2230a_100015188774_100000185958 [0,1,0,0,0,1|2,0,0]=4 5634 B19R2.4369 OC(CNCc1ccnc(c1)F)c2ccccc2 270004a_100000210709_100000068331 [0,1,0,0,0,1|2,0,0]=4 5635 B19R2.4369 OC(CNCc1ccnc(c1)F)c2ccccc2 34a_100015188774_100000185958 [0,1,0,0,0,1|2,0,0]=4 5636 B19R2.4369 OC(CNCc1ccnc(n1)Cl)c2ccccc2 2230a_100000210709_100000099655 [0,1,0,0,0,1|1,0,0]=3 5637 B19R2.4369 OC(CNCc1ccnc(n1)Cl)c2ccccn2 2230a_100000691469_100000099655 [0,1,0,0,0,1|2,0,0]=4 5638 B19R2.4369 OC(CNCc1ccnc(n1)Cl)c2cccnc2 2230a_100020605170_100000099655 [0,1,0,0,0,1|2,0,0]=4 5639 B19R2.4369 OC(CNCc1cncc(c1)Br)c2ccccc2 207a_100000210709_100000687066 [0,1,0,0,0,1|2,0,0]=4 5640 B19R2.4369 OC(CNCc1cncc(c1)Br)c2ccccc2 2230a_100000210709_100000738771 [0,1,0,0,0,1|2,0,0]=4 5641 B19R2.4369 OC(CNCc1cncc(c1)Br)c2ccccc2 270004a_100000210709_100000687066 [0,1,0,0,0,1|2,0,0]=4 5642 B19R2.4369 OC(CNCc1cncc(c1)Cl)c2ccccc2 207a_100000210709_100000088910 [0,1,0,0,0,1|2,0,0]=4 5643 B19R2.4369 OC(CNCc1cncc(c1)Cl)c2ccccc2 2230a_100000210709_100016992070 [0,1,0,0,0,1|2,0,0]=4 5644 B19R2.4369 OC(CNCc1cncc(c1)Cl)c2ccccc2 2230a_200020614424_100000185958 [0,1,0,0,0,1|2,0,0]=4 5645 B19R2.4369 OC(CNCc1cncc(c1)Cl)c2ccccc2 270004a_100000210709_100000088910 [0,1,0,0,0,1|2,0,0]=4 5646 B19R2.4369 OC(CNCc1cncc(c1)F)c2ccccc2 207a_100000210709_100011361476 [0,1,0,0,0,1|2,0,0]=4 5647 B19R2.4369 OC(CNCc1cncc(c1)F)c2ccccc2 2230a_100000210709_100000725299 [0,1,0,0,0,1|2,0,0]=4 5648 B19R2.4369 OC(CNCc1cncc(c1)F)c2ccccc2 2230a_100011962886_100000185958 [0,1,0,0,0,1|2,0,0]=4 5649 B19R2.4369 OC(CNCc1cncc(c1)F)c2ccccc2 270004a_100000210709_100011361476 [0,1,0,0,0,1|2,0,0]=4 5650 B19R2.4369 OC(CNCc1cncc(c1)F)c2ccccc2 34a_100011962886_100000185958 [0,1,0,0,0,1|2,0,0]=4 5651 B19R2.4369 OC(COCc1cc(ccn1)Cl)c2ccccc2 34a_100000748867_100000185958 [0,1,0,0,0,1|1,0,0]=3 5652 B19R2.4369 OC(COCc1cccc(c1)Br)c2ccccc2 34a_100000687537_100000185958 [0,1,0,0,0,1|2,0,0]=4 5653 B19R2.4369 OC(COCc1cccc(c1)Br)c2ccccc2 7a_100000687537_100000185958 [0,1,0,0,0,1|2,0,0]=4 5654 B19R2.4369 OC(COCc1cccc(c1)Cl)c2ccccc2 34a_100000241301_100000185958 [0,1,0,0,0,1|2,0,0]=4 5655 B19R2.4369 OC(COCc1cccc(c1)Cl)c2ccccc2 7a_100000241301_100000185958 [0,1,0,0,0,1|2,0,0]=4 5656 B19R2.4369 OC(COCc1cccc(c1)F)c2ccccc2 34a_100000210976_100000185958 [0,1,0,0,0,1|2,0,0]=4 5657 B19R2.4369 OC(COCc1cccc(c1)F)c2ccccc2 7a_100000210976_100000185958 [0,1,0,0,0,1|2,0,0]=4 5658 B19R2.4369 OC(COCc1cccc(c1)I)c2ccccc2 34a_100011215336_100000185958 [0,1,0,0,0,1|2,0,0]=4 5659 B19R2.4369 OC(COCc1cccc(c1)I)c2ccccc2 7a_100011215336_100000185958 [0,1,0,0,0,1|2,0,0]=4 5660 B19R2.4369 OC(COCc1cccc(n1)Br)c2ccccc2 34a_100000694195_100000185958 [0,1,0,0,0,1|1,0,0]=3 5661 B19R2.4369 OC(COCc1cccc(n1)Cl)c2ccccc2 34a_100011998359_100000185958 [0,1,0,0,0,1|1,0,0]=3 5662 B19R2.4369 OC(COCc1cccc(n1)F)c2ccccc2 34a_100000086748_100000185958 [0,1,0,0,0,1|1,0,0]=3 5663 B19R2.4369 OC(CSCc1cc(ccn1)Br)c2ccccc2 62a_100000185958_100010173614 [0,1,0,0,0,1|1,0,0]=3 5664 B19R2.4369 OC(CSCc1cc(ccn1)Br)c2ccccc2 62a_100010173614_100000185958 [0,1,0,0,0,1|1,0,0]=3 5665 B19R2.4369 OC(CSCc1cc(ccn1)Cl)c2ccccc2 62a_100000185958_100016988179 [0,1,0,0,0,1|1,0,0]=3 5666 B19R2.4369 OC(CSCc1cc(ccn1)Cl)c2ccccc2 62a_100016988179_100000185958 [0,1,0,0,0,1|1,0,0]=3 5667 B19R2.4369 OC(CSCc1cccc(c1)Br)c2ccccc2 62a_100000185958_100000211773 [0,1,0,0,0,1|2,0,0]=4 5668 B19R2.4369 OC(CSCc1cccc(c1)Br)c2ccccc2 62a_100000211773_100000185958 [0,1,0,0,0,1|2,0,0]=4 5669 B19R2.4369 OC(CSCc1cccc(c1)Cl)c2ccccc2 62a_100000185958_100000187163 [0,1,0,0,0,1|2,0,0]=4 5670 B19R2.4369 OC(CSCc1cccc(c1)Cl)c2ccccc2 62a_100000187163_100000185958 [0,1,0,0,0,1|2,0,0]=4 5671 B19R2.4369 OC(CSCc1cccc(c1)F)c2ccccc2 62a_100000185958_100000230114 [0,1,0,0,0,1|2,0,0]=4 5672 B19R2.4369 OC(CSCc1cccc(c1)F)c2ccccc2 62a_100000230114_100000185958 [0,1,0,0,0,1|2,0,0]=4 5673 B19R2.4369 OC(CSCc1cccc(c1)I)c2ccccc2 62a_100000185958_100011218688 [0,1,0,0,0,1|2,0,0]=4 5674 B19R2.4369 OC(CSCc1cccc(c1)I)c2ccccc2 62a_100011218688_100000185958 [0,1,0,0,0,1|2,0,0]=4 5675 B19R2.4369 OC(CSCc1cccc(n1)Br)c2ccccc2 62a_100000185958_100009889011 [0,1,0,0,0,1|1,0,0]=3 5676 B19R2.4369 OC(CSCc1cccc(n1)Br)c2ccccc2 62a_100009889011_100000185958 [0,1,0,0,0,1|1,0,0]=3 5677 B19R2.4369 OC(CSCc1cccc(n1)Cl)c2ccccc2 62a_100000086093_100000185958 [0,1,0,0,0,1|1,0,0]=3 5678 B19R2.4369 OC(CSCc1cccc(n1)Cl)c2ccccc2 62a_100000185958_100000086093 [0,1,0,0,0,1|1,0,0]=3 5679 B19R2.4369 OC(CSCc1cccc(n1)F)c2ccccc2 62a_100000185958_100009819644 [0,1,0,0,0,1|1,0,0]=3 5680 B19R2.4369 OC(CSCc1cccc(n1)F)c2ccccc2 62a_100009819644_100000185958 [0,1,0,0,0,1|1,0,0]=3 5681 B19R2.4369 OC(CSCc1ccnc(n1)Cl)c2ccccc2 62a_100000099655_100000185958 [0,1,0,0,0,1|2,0,0]=4 5682 B19R2.4369 OC(CSCc1ccnc(n1)Cl)c2ccccc2 62a_100000185958_100000099655 [0,1,0,0,0,1|2,0,0]=4 5683 B19R2.4369 O[C@H](CCNc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000729684 [0,1,0,0,0,1|1,0,0]=3 5684 B19R2.4369 O[C@H](CCNc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000729684 [0,1,0,0,0,1|1,0,0]=3 5685 B19R2.4369 O[C@H](CCNc1cccc(c1)F)c2ccccc2 34a_100000210047_100000729684 [0,1,0,0,0,1|1,0,0]=3 5686 B19R2.4369 O[C@H](CCNc1cccc(c1)I)c2ccccc2 34a_100000211102_100000729684 [0,1,0,0,0,1|1,0,0]=3 5687 B19R2.4369 O[C@H](CCOc1cccc(c1)Br)c2ccccc2 34a_100000210342_100000729684 [0,1,0,0,0,1|2,0,0]=4 5688 B19R2.4369 O[C@H](CCOc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000729684 [0,1,0,0,0,1|2,0,0]=4 5689 B19R2.4369 O[C@H](CCOc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100000729684 [0,1,0,0,0,1|2,0,0]=4 5690 B19R2.4369 O[C@H](CCOc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000729684 [0,1,0,0,0,1|2,0,0]=4 5691 B19R2.4369 O[C@H](CCOc1cccc(c1)F)c2ccccc2 34a_100000210426_100000729684 [0,1,0,0,0,1|2,0,0]=4 5692 B19R2.4369 O[C@H](CCOc1cccc(c1)F)c2ccccc2 7a_100000210426_100000729684 [0,1,0,0,0,1|2,0,0]=4 5693 B19R2.4369 O[C@H](CCOc1cccc(c1)I)c2ccccc2 34a_100000211634_100000729684 [0,1,0,0,0,1|2,0,0]=4 5694 B19R2.4369 O[C@H](CCOc1cccc(c1)I)c2ccccc2 7a_100000211634_100000729684 [0,1,0,0,0,1|2,0,0]=4 5695 B19R2.4369 O[C@H](CCOc1cccc(n1)F)c2ccccc2 34a_100011432558_100000729684 [0,1,0,0,0,1|1,0,0]=3 5696 B19R2.4369 O[C@H](CCSc1cc(ccn1)Cl)c2ccccc2 62a_100000729684_100010167805 [0,1,0,0,0,1|1,0,0]=3 5697 B19R2.4369 O[C@H](CCSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000729684 [0,1,0,0,0,1|1,0,0]=3 5698 B19R2.4369 O[C@H](CCSc1cc(ccn1)F)c2ccccc2 62a_100000729684_100000764206 [0,1,0,0,0,1|1,0,0]=3 5699 B19R2.4369 O[C@H](CCSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000729684 [0,1,0,0,0,1|1,0,0]=3 5700 B19R2.4369 O[C@H](CCSc1cc(ncn1)Cl)c2ccccc2 62a_100000729684_100010161198 [0,1,0,0,0,1|2,0,0]=4 5701 B19R2.4369 O[C@H](CCSc1cc(ncn1)Cl)c2ccccc2 62a_100010161198_100000729684 [0,1,0,0,0,1|2,0,0]=4 5702 B19R2.4369 O[C@H](CCSc1cc(ncn1)F)c2ccccc2 62a_100000729684_200009880791 [0,1,0,0,0,1|2,0,0]=4 5703 B19R2.4369 O[C@H](CCSc1cc(ncn1)F)c2ccccc2 62a_200009880791_100000729684 [0,1,0,0,0,1|2,0,0]=4 5704 B19R2.4369 O[C@H](CCSc1cccc(c1)Br)c2ccccc2 62a_100000691529_100000729684 [0,1,0,0,0,1|2,0,0]=4 5705 B19R2.4369 O[C@H](CCSc1cccc(c1)Br)c2ccccc2 62a_100000729684_100000691529 [0,1,0,0,0,1|2,0,0]=4 5706 B19R2.4369 O[C@H](CCSc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100000729684 [0,1,0,0,0,1|2,0,0]=4 5707 B19R2.4369 O[C@H](CCSc1cccc(c1)Cl)c2ccccc2 62a_100000729684_100000699651 [0,1,0,0,0,1|2,0,0]=4 5708 B19R2.4369 O[C@H](CCSc1cccc(c1)F)c2ccccc2 62a_100000685547_100000729684 [0,1,0,0,0,1|2,0,0]=4 5709 B19R2.4369 O[C@H](CCSc1cccc(c1)F)c2ccccc2 62a_100000729684_100000685547 [0,1,0,0,0,1|2,0,0]=4 5710 B19R2.4369 O[C@H](CCSc1cccc(c1)[S])c2ccccc2 62a_100000729684_114929384022 [0,1,0,0,0,1|2,0,0]=4 5711 B19R2.4369 O[C@H](CCSc1cccc(c1)[S])c2ccccc2 62a_114929384022_100000729684 [0,1,0,0,0,1|2,0,0]=4 5712 B19R2.4369 O[C@H](CCSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000729684 [0,1,0,0,0,1|1,0,0]=3 5713 B19R2.4369 O[C@H](CCSc1cccc(n1)Br)c2ccccc2 62a_100000729684_100000684672 [0,1,0,0,0,1|1,0,0]=3 5714 B19R2.4369 O[C@H](CCSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000729684 [0,1,0,0,0,1|1,0,0]=3 5715 B19R2.4369 O[C@H](CCSc1cccc(n1)Cl)c2ccccc2 62a_100000729684_100000051397 [0,1,0,0,0,1|1,0,0]=3 5716 B19R2.4369 O[C@H](CCSc1cccc(n1)F)c2ccccc2 62a_100000729684_100009815982 [0,1,0,0,0,1|1,0,0]=3 5717 B19R2.4369 O[C@H](CCSc1cccc(n1)F)c2ccccc2 62a_100009815982_100000729684 [0,1,0,0,0,1|1,0,0]=3 5718 B19R2.4369 O[C@H](CCSc1ccnc(n1)Cl)c2ccccc2 62a_100000729684_100010154678 [0,1,0,0,0,1|2,0,0]=4 5719 B19R2.4369 O[C@H](CCSc1ccnc(n1)Cl)c2ccccc2 62a_100010154678_100000729684 [0,1,0,0,0,1|2,0,0]=4 5720 B19R2.4369 O[C@H](CCSc1cncc(n1)Cl)c2ccccc2 62a_100000729684_100010892449 [0,1,0,0,0,1|2,0,0]=4 5721 B19R2.4369 O[C@H](CCSc1cncc(n1)Cl)c2ccccc2 62a_100010892449_100000729684 [0,1,0,0,0,1|2,0,0]=4 5722 B19R2.4369 O[C@H](CCSc1cncc(n1)F)c2ccccc2 62a_100000729684_200009863489 [0,1,0,0,0,1|2,0,0]=4 5723 B19R2.4369 O[C@H](CCSc1cncc(n1)F)c2ccccc2 62a_200009863489_100000729684 [0,1,0,0,0,1|2,0,0]=4 5724 B19R2.4369 O[C@H](CNCc1cccc(c1)Br)c2ccccc2 2230a_100000174977_100011933945 [0,1,0,0,0,1|1,0,0]=3 5725 B19R2.4369 O[C@H](CNCc1cccc(c1)Br)c2ccccc2 34a_100000174977_100011933945 [0,1,0,0,0,1|1,0,0]=3 5726 B19R2.4369 O[C@H](CNCc1cccc(c1)Cl)c2ccccc2 2230a_100000174878_100011933945 [0,1,0,0,0,1|1,0,0]=3 5727 B19R2.4369 O[C@H](CNCc1cccc(c1)Cl)c2ccccc2 34a_100000174878_100011933945 [0,1,0,0,0,1|1,0,0]=3 5728 B19R2.4369 O[C@H](CNCc1cccc(c1)F)c2ccccc2 2230a_100000174948_100011933945 [0,1,0,0,0,1|1,0,0]=3 5729 B19R2.4369 O[C@H](CNCc1cccc(c1)F)c2ccccc2 34a_100000174948_100011933945 [0,1,0,0,0,1|1,0,0]=3 5730 B19R2.4369 O[C@H](CNCc1cccc(c1)I)c2ccccc2 2230a_100000106179_100011933945 [0,1,0,0,0,1|1,0,0]=3 5731 B19R2.4369 O[C@H](CNCc1cccc(c1)I)c2ccccc2 34a_100000106179_100011933945 [0,1,0,0,0,1|1,0,0]=3 5732 B19R2.4369 O[C@H](CNCc1cccc(n1)Br)c2ccccc2 2230a_100016987751_100011933945 [0,1,0,0,0,1|0,0,0]=2 5733 B19R2.4369 O[C@H](CNCc1cccc(n1)Cl)c2ccccc2 2230a_100016990191_100011933945 [0,1,0,0,0,1|0,0,0]=2 5734 B19R2.4369 O[C@H](CNCc1cccc(n1)F)c2ccccc2 2230a_100015188798_100011933945 [0,1,0,0,0,1|0,0,0]=2 5735 B19R2.4369 O[C@H](CNCc1cccc(n1)F)c2ccccc2 34a_100015188798_100011933945 [0,1,0,0,0,1|0,0,0]=2 5736 B19R2.4369 O[C@H](CNCc1ccnc(c1)Br)c2ccccc2 2230a_100025757509_100011933945 [0,1,0,0,0,1|2,0,0]=4 5737 B19R2.4369 O[C@H](CNCc1ccnc(c1)Br)c2ccccc2 34a_100025757509_100011933945 [0,1,0,0,0,1|2,0,0]=4 5738 B19R2.4369 O[C@H](CNCc1ccnc(c1)Cl)c2ccccc2 2230a_100015205668_100011933945 [0,1,0,0,0,1|2,0,0]=4 5739 B19R2.4369 O[C@H](CNCc1ccnc(c1)Cl)c2ccccc2 34a_100015205668_100011933945 [0,1,0,0,0,1|2,0,0]=4 5740 B19R2.4369 O[C@H](CNCc1ccnc(c1)F)c2ccccc2 2230a_100015188774_100011933945 [0,1,0,0,0,1|2,0,0]=4 5741 B19R2.4369 O[C@H](CNCc1ccnc(c1)F)c2ccccc2 34a_100015188774_100011933945 [0,1,0,0,0,1|2,0,0]=4 5742 B19R2.4369 O[C@H](CNCc1cncc(c1)Cl)c2ccccc2 2230a_200020614424_100011933945 [0,1,0,0,0,1|2,0,0]=4 5743 B19R2.4369 O[C@H](CNCc1cncc(c1)F)c2ccccc2 2230a_100011962886_100011933945 [0,1,0,0,0,1|2,0,0]=4 5744 B19R2.4369 O[C@H](CNCc1cncc(c1)F)c2ccccc2 34a_100011962886_100011933945 [0,1,0,0,0,1|2,0,0]=4 5745 B19R2.4369 O[C@H](COCc1cc(ccn1)Cl)c2ccccc2 34a_100000748867_100011933945 [0,1,0,0,0,1|1,0,0]=3 5746 B19R2.4369 O[C@H](COCc1cccc(c1)Br)c2ccccc2 34a_100000687537_100011933945 [0,1,0,0,0,1|2,0,0]=4 5747 B19R2.4369 O[C@H](COCc1cccc(c1)Br)c2ccccc2 7a_100000687537_100011933945 [0,1,0,0,0,1|2,0,0]=4 5748 B19R2.4369 O[C@H](COCc1cccc(c1)Cl)c2ccccc2 34a_100000241301_100011933945 [0,1,0,0,0,1|2,0,0]=4 5749 B19R2.4369 O[C@H](COCc1cccc(c1)Cl)c2ccccc2 7a_100000241301_100011933945 [0,1,0,0,0,1|2,0,0]=4 5750 B19R2.4369 O[C@H](COCc1cccc(c1)F)c2ccccc2 34a_100000210976_100011933945 [0,1,0,0,0,1|2,0,0]=4 5751 B19R2.4369 O[C@H](COCc1cccc(c1)F)c2ccccc2 7a_100000210976_100011933945 [0,1,0,0,0,1|2,0,0]=4 5752 B19R2.4369 O[C@H](COCc1cccc(c1)I)c2ccccc2 34a_100011215336_100011933945 [0,1,0,0,0,1|2,0,0]=4 5753 B19R2.4369 O[C@H](COCc1cccc(c1)I)c2ccccc2 7a_100011215336_100011933945 [0,1,0,0,0,1|2,0,0]=4 5754 B19R2.4369 O[C@H](COCc1cccc(n1)Br)c2ccccc2 34a_100000694195_100011933945 [0,1,0,0,0,1|1,0,0]=3 5755 B19R2.4369 O[C@H](COCc1cccc(n1)Cl)c2ccccc2 34a_100011998359_100011933945 [0,1,0,0,0,1|1,0,0]=3 5756 B19R2.4369 O[C@H](COCc1cccc(n1)F)c2ccccc2 34a_100000086748_100011933945 [0,1,0,0,0,1|1,0,0]=3 5757 B19R2.4369 O[C@H](CSCc1cc(ccn1)Br)c2ccccc2 62a_100010173614_100011933945 [0,1,0,0,0,1|1,0,0]=3 5758 B19R2.4369 O[C@H](CSCc1cc(ccn1)Br)c2ccccc2 62a_100011933945_100010173614 [0,1,0,0,0,1|1,0,0]=3 5759 B19R2.4369 O[C@H](CSCc1cc(ccn1)Cl)c2ccccc2 62a_100011933945_100016988179 [0,1,0,0,0,1|1,0,0]=3 5760 B19R2.4369 O[C@H](CSCc1cc(ccn1)Cl)c2ccccc2 62a_100016988179_100011933945 [0,1,0,0,0,1|1,0,0]=3 5761 B19R2.4369 O[C@H](CSCc1cccc(c1)Br)c2ccccc2 62a_100000211773_100011933945 [0,1,0,0,0,1|2,0,0]=4 5762 B19R2.4369 O[C@H](CSCc1cccc(c1)Br)c2ccccc2 62a_100011933945_100000211773 [0,1,0,0,0,1|2,0,0]=4 5763 B19R2.4369 O[C@H](CSCc1cccc(c1)Cl)c2ccccc2 62a_100000187163_100011933945 [0,1,0,0,0,1|2,0,0]=4 5764 B19R2.4369 O[C@H](CSCc1cccc(c1)Cl)c2ccccc2 62a_100011933945_100000187163 [0,1,0,0,0,1|2,0,0]=4 5765 B19R2.4369 O[C@H](CSCc1cccc(c1)F)c2ccccc2 62a_100000230114_100011933945 [0,1,0,0,0,1|2,0,0]=4 5766 B19R2.4369 O[C@H](CSCc1cccc(c1)F)c2ccccc2 62a_100011933945_100000230114 [0,1,0,0,0,1|2,0,0]=4 5767 B19R2.4369 O[C@H](CSCc1cccc(c1)I)c2ccccc2 62a_100011218688_100011933945 [0,1,0,0,0,1|2,0,0]=4 5768 B19R2.4369 O[C@H](CSCc1cccc(c1)I)c2ccccc2 62a_100011933945_100011218688 [0,1,0,0,0,1|2,0,0]=4 5769 B19R2.4369 O[C@H](CSCc1cccc(n1)Br)c2ccccc2 62a_100009889011_100011933945 [0,1,0,0,0,1|1,0,0]=3 5770 B19R2.4369 O[C@H](CSCc1cccc(n1)Br)c2ccccc2 62a_100011933945_100009889011 [0,1,0,0,0,1|1,0,0]=3 5771 B19R2.4369 O[C@H](CSCc1cccc(n1)Cl)c2ccccc2 62a_100000086093_100011933945 [0,1,0,0,0,1|1,0,0]=3 5772 B19R2.4369 O[C@H](CSCc1cccc(n1)Cl)c2ccccc2 62a_100011933945_100000086093 [0,1,0,0,0,1|1,0,0]=3 5773 B19R2.4369 O[C@H](CSCc1cccc(n1)F)c2ccccc2 62a_100009819644_100011933945 [0,1,0,0,0,1|1,0,0]=3 5774 B19R2.4369 O[C@H](CSCc1cccc(n1)F)c2ccccc2 62a_100011933945_100009819644 [0,1,0,0,0,1|1,0,0]=3 5775 B19R2.4369 O[C@H](CSCc1ccnc(n1)Cl)c2ccccc2 62a_100000099655_100011933945 [0,1,0,0,0,1|2,0,0]=4 5776 B19R2.4369 O[C@H](CSCc1ccnc(n1)Cl)c2ccccc2 62a_100011933945_100000099655 [0,1,0,0,0,1|2,0,0]=4 5777 B19R2.4369 Oc1cc(ccn1)CNCC(O)c2ccccc2 207a_100000210709_100000688113 [0,1,0,0,0,1|2,0,0]=4 5778 B19R2.4369 Oc1cc(ncn1)NCCC(O)c2ccccc2 27a_100000763605_100000765262 [0,1,0,0,0,1|1,0,0]=3 5779 B19R2.4369 Oc1cc(ncn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000765262 [0,1,0,0,0,1|2,0,0]=4 5780 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccc2 207a_100000210709_100000188321 [0,1,0,0,0,1|1,0,0]=3 5781 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccc2 2230a_100000210709_100011660834 [0,1,0,0,0,1|1,0,0]=3 5782 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccc2 2230a_100000743036_100000185958 [0,1,0,0,0,1|1,0,0]=3 5783 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccc2 270004a_100000210709_100000188321 [0,1,0,0,0,1|1,0,0]=3 5784 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccc2 34a_100000743036_100000185958 [0,1,0,0,0,1|1,0,0]=3 5785 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccn2 207a_100000691469_100000188321 [0,1,0,0,0,1|2,0,0]=4 5786 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccn2 2230a_100000691469_100011660834 [0,1,0,0,0,1|2,0,0]=4 5787 B19R2.4369 Oc1cccc(c1)CNCC(O)c2ccccn2 270004a_100000691469_100000188321 [0,1,0,0,0,1|2,0,0]=4 5788 B19R2.4369 Oc1cccc(c1)CNCC(O)c2cccnc2 207a_100020605170_100000188321 [0,1,0,0,0,1|2,0,0]=4 5789 B19R2.4369 Oc1cccc(c1)CNCC(O)c2cccnc2 2230a_100020605170_100011660834 [0,1,0,0,0,1|2,0,0]=4 5790 B19R2.4369 Oc1cccc(c1)CNCC(O)c2cccnc2 270004a_100020605170_100000188321 [0,1,0,0,0,1|2,0,0]=4 5791 B19R2.4369 Oc1cccc(c1)CNC[C@@H](O)c2ccccc2 2230a_100000743036_100011933945 [0,1,0,0,0,1|1,0,0]=3 5792 B19R2.4369 Oc1cccc(c1)CNC[C@@H](O)c2ccccc2 34a_100000743036_100011933945 [0,1,0,0,0,1|1,0,0]=3 5793 B19R2.4369 Oc1cccc(c1)CSCC(O)c2ccccc2 62a_100000185958_100011660834 [0,1,0,0,0,1|2,0,0]=4 5794 B19R2.4369 Oc1cccc(c1)CSCC(O)c2ccccc2 62a_100011660834_100000185958 [0,1,0,0,0,1|2,0,0]=4 5795 B19R2.4369 Oc1cccc(c1)CSC[C@@H](O)c2ccccc2 62a_100011660834_100011933945 [0,1,0,0,0,1|2,0,0]=4 5796 B19R2.4369 Oc1cccc(c1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100011660834 [0,1,0,0,0,1|2,0,0]=4 5797 B19R2.4369 Oc1cccc(c1)NCC[C@@H](O)c2ccccc2 34a_100000210217_100000729684 [0,1,0,0,0,1|1,0,0]=3 5798 B19R2.4369 Oc1cccc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000211634 [0,1,0,0,0,1|2,0,0]=4 5799 B19R2.4369 Oc1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000762945 [0,1,0,0,0,1|1,0,0]=3 5800 B19R2.4369 Oc1ccnc(n1)NCCC(O)c2ccccc2 27a_100000763605_100011649813 [0,1,0,0,0,1|1,0,0]=3 5801 B19R2.4369 Oc1ccnc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011649813 [0,1,0,0,0,1|2,0,0]=4 5802 B19R2.4369 Oc1cncc(c1)CNCC(O)c2ccccc2 207a_100000210709_100012187055 [0,1,0,0,0,1|2,0,0]=4 5803 B19R2.4369 Oc1cncc(c1)CNCC(O)c2ccccc2 270004a_100000210709_100012187055 [0,1,0,0,0,1|2,0,0]=4 5804 B19R2.4369 Oc1cncc(n1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011269956 [0,1,0,0,0,1|2,0,0]=4 5805 B19R2.4369 Oc1cnnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_200010734679 [0,1,0,0,0,1|2,0,0]=4 5806 B19R2.4369 [O-][n+]1ccnc(c1)NCCC(O)c2ccccc2 27a_100000763605_100009880115 [0,1,0,0,0,1|1,0,0]=3 5807 B19R2.4369 [O-][n+]1ccnc(c1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009880115 [0,1,0,0,0,1|2,0,0]=4 5808 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)Br 2230a_100020642005_100015183660 [0,1,0,0,0,1|2,0,0]=4 5809 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)Br 269862a_100000211156_100000210093 [0,1,0,0,0,1|2,0,0]=4 5810 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)Cl 2230a_100102723534_100015183660 [0,1,0,0,0,1|2,0,0]=4 5811 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)Cl 269862a_100000211156_200000210964 [0,1,0,0,0,1|2,0,0]=4 5812 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)F 269862a_100000211156_100000187083 [0,1,0,0,0,1|2,0,0]=4 5813 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)I 269862a_100000211156_100011356966 [0,1,0,0,0,1|2,0,0]=4 5814 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)O 2230a_100000740644_100015183660 [0,1,0,0,0,1|2,0,0]=4 5815 B19R2.4394 CC(NCCc1ccccn1)c2cccc(c2)O 269862a_100000211156_100000211620 [0,1,0,0,0,1|2,0,0]=4 5816 B19R2.4394 CC(OCCc1ccccn1)c2cccc(c2)Br 7a_100000246457_100015183660 [0,1,0,0,0,1|2,0,0]=4 5817 B19R2.4394 CC(OCCc1ccccn1)c2cccc(c2)F 7a_100000744526_100015183660 [0,1,0,0,0,1|2,0,0]=4 5818 B19R2.4394 CC(OCCc1ccccn1)c2cccc(c2)I 7a_100013085317_100015183660 [0,1,0,0,0,1|2,0,0]=4 5819 B19R2.4394 CC(OCCc1ccccn1)c2cccc(c2)N 7a_100011217120_100015183660 [0,1,0,0,0,1|2,0,0]=4 5820 B19R2.4394 C[C@@H](NCCc1ccccn1)c2cccc(c2)F 2230a_100015193778_100015183660 [0,1,0,0,0,1|2,0,0]=4 5821 B19R2.4394 C[C@@H](OCCc1ccccn1)c2cccc(c2)Cl 7a_100000747380_100015183660 [0,1,0,0,0,1|2,0,0]=4 5822 B19R2.4394 Cc1cccc(c1)C(C)NCCc2ccccn2 269862a_100000211156_100000211476 [0,1,0,0,0,1|2,0,0]=4 5823 B19R2.4394 Cc1cccc(c1)C(C)OCCc2ccccn2 7a_100000757818_100015183660 [0,1,0,0,0,1|2,0,0]=4 5824 B19R2.4394 Cc1cccc(c1)[C@@H](C)NCCc2ccccn2 2230a_100000698126_100015183660 [0,1,0,0,0,1|2,0,0]=4 5825 B19R2.4394 Cc1cccc(c1)[C@H](N)COCc2ccccn2 34a_100009818812_100000721315 [0,1,0,0,0,1|2,0,0]=4 5826 B19R2.4394 NC(COCc1ccccn1)c2cccc(c2)Br 34a_100000690078_100000721315 [0,1,0,0,0,1|2,0,0]=4 5827 B19R2.4394 N[C@@H](COCc1ccccn1)c2cccc(c2)Cl 34a_100032004910_100000721315 [0,1,0,0,0,1|2,0,0]=4 5828 B19R2.4394 N[C@H](COCc1ccccn1)c2cccc(c2)F 34a_100020641251_100000721315 [0,1,0,0,0,1|2,0,0]=4 5829 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccccc2 2230a_100020657549_100015291786 [0,1,0,0,0,1|1,0,0]=3 5830 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccccc2 270004a_100020657549_100015611070 [0,1,0,0,0,1|1,0,0]=3 5831 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccccc2 34a_100020657549_100015291786 [0,1,0,0,0,1|1,0,0]=3 5832 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccccn2 2230a_100020657549_100000721315 [0,1,0,0,0,1|0,0,0]=2 5833 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccccn2 270004a_100020657549_100000209966 [0,1,0,0,0,1|0,0,0]=2 5834 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccccn2 34a_100020657549_100000721315 [0,1,0,0,0,1|0,0,0]=2 5835 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cccnc2 2230a_100020657549_100000741622 [0,1,0,0,0,1|2,0,0]=4 5836 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cccnc2 270004a_100020657549_100000209961 [0,1,0,0,0,1|2,0,0]=4 5837 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cccnc2 34a_100020657549_100000733263 [0,1,0,0,0,1|2,0,0]=4 5838 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cccnn2 2230a_100020657549_100016990269 [0,1,0,0,0,1|1,0,0]=3 5839 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cccnn2 34a_100020657549_100016990269 [0,1,0,0,0,1|1,0,0]=3 5840 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ccncc2 2230a_100020657549_100015193705 [0,1,0,0,0,1|2,0,0]=4 5841 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cnccn2 2230a_100020657549_100016995436 [0,1,0,0,0,1|1,0,0]=3 5842 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cnccn2 270004a_100020657549_100000749867 [0,1,0,0,0,1|1,0,0]=3 5843 B19R2.4394 Oc1cccc(c1)C(O)CNCc2cnccn2 34a_100020657549_100016995436 [0,1,0,0,0,1|1,0,0]=3 5844 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ncccn2 2230a_100020657549_100000703007 [0,1,0,0,0,1|1,0,0]=3 5845 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ncccn2 270004a_100020657549_100011532527 [0,1,0,0,0,1|1,0,0]=3 5846 B19R2.4394 Oc1cccc(c1)C(O)CNCc2ncccn2 34a_100020657549_100000703007 [0,1,0,0,0,1|1,0,0]=3 5847 B19R2.4481 CC(C=NNc1ncccc1Br)c2ccccc2 4a_100011464834_100000212034 [0,1,0,0,0,1|1,0,1]=4 5848 B19R2.4481 CC(C=NNc1ncccc1Cl)c2ccccc2 4a_100000741667_100000212034 [0,1,0,0,0,1|1,0,1]=4 5849 B19R2.4481 CC(C=NNc1ncccc1F)c2ccccc2 4a_100000717775_100000212034 [0,1,0,0,0,1|1,0,1]=4 5850 B19R2.4481 CC(C=NNc1ncccc1I)c2ccccc2 4a_100010221029_100000212034 [0,1,0,0,0,1|1,0,1]=4 5851 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 207a_100000701038_100000211189 [0,1,0,0,0,1|2,0,0]=4 5852 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 2230a_100000689332_100000756946 [0,1,0,0,0,1|2,0,0]=4 5853 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 2230a_100000701038_100000184730 [0,1,0,0,0,1|2,0,0]=4 5854 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 270004a_100000689332_100000212034 [0,1,0,0,0,1|2,0,0]=4 5855 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 270004a_100000701038_100000211189 [0,1,0,0,0,1|2,0,0]=4 5856 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 34a_100000689332_100000756946 [0,1,0,0,0,1|2,0,0]=4 5857 B19R2.4481 CC(CNCc1ccccc1Br)c2ccccc2 34a_100000701038_100000184730 [0,1,0,0,0,1|2,0,0]=4 5858 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 207a_100000701038_100000210073 [0,1,0,0,0,1|2,0,0]=4 5859 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 2230a_100000174879_100000756946 [0,1,0,0,0,1|2,0,0]=4 5860 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 2230a_100000701038_100000187162 [0,1,0,0,0,1|2,0,0]=4 5861 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 270004a_100000174879_100000212034 [0,1,0,0,0,1|2,0,0]=4 5862 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 270004a_100000701038_100000210073 [0,1,0,0,0,1|2,0,0]=4 5863 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 34a_100000174879_100000756946 [0,1,0,0,0,1|2,0,0]=4 5864 B19R2.4481 CC(CNCc1ccccc1Cl)c2ccccc2 34a_100000701038_100000187162 [0,1,0,0,0,1|2,0,0]=4 5865 B19R2.4481 CC(CNCc1ccccc1F)c2ccccc2 207a_100000701038_100000210811 [0,1,0,0,0,1|2,0,0]=4 5866 B19R2.4481 CC(CNCc1ccccc1F)c2ccccc2 2230a_100000701038_100000211605 [0,1,0,0,0,1|2,0,0]=4 5867 B19R2.4481 CC(CNCc1ccccc1F)c2ccccc2 270004a_100000174869_100000212034 [0,1,0,0,0,1|2,0,0]=4 5868 B19R2.4481 CC(CNCc1ccccc1F)c2ccccc2 270004a_100000701038_100000210811 [0,1,0,0,0,1|2,0,0]=4 5869 B19R2.4481 CC(CNCc1ccccc1F)c2ccccc2 34a_100000174869_100000756946 [0,1,0,0,0,1|2,0,0]=4 5870 B19R2.4481 CC(CNCc1ccccc1F)c2ccccc2 34a_100000701038_100000211605 [0,1,0,0,0,1|2,0,0]=4 5871 B19R2.4481 CC(CNCc1ccccc1I)c2ccccc2 207a_100000701038_100000010305 [0,1,0,0,0,1|2,0,0]=4 5872 B19R2.4481 CC(CNCc1ccccc1I)c2ccccc2 2230a_100000701038_100011215278 [0,1,0,0,0,1|2,0,0]=4 5873 B19R2.4481 CC(CNCc1ccccc1I)c2ccccc2 270004a_100000701038_100000010305 [0,1,0,0,0,1|2,0,0]=4 5874 B19R2.4481 CC(CNCc1ccccc1I)c2ccccc2 270004a_100015347259_100000212034 [0,1,0,0,0,1|2,0,0]=4 5875 B19R2.4481 CC(CNCc1ccccc1I)c2ccccc2 34a_100000701038_100011215278 [0,1,0,0,0,1|2,0,0]=4 5876 B19R2.4481 CC(CNCc1ccccc1O)c2ccccc2 270004a_100000185550_100000212034 [0,1,0,0,0,1|2,0,0]=4 5877 B19R2.4481 CC(CNCc1ccccc1O)c2ccccc2 34a_100000185550_100000756946 [0,1,0,0,0,1|2,0,0]=4 5878 B19R2.4481 CC(CNCc1ncccc1Br)c2ccccc2 207a_100000701038_100011934733 [0,1,0,0,0,1|1,0,0]=3 5879 B19R2.4481 CC(CNCc1ncccc1Br)c2ccccc2 2230a_100000701038_100025702911 [0,1,0,0,0,1|1,0,0]=3 5880 B19R2.4481 CC(CNCc1ncccc1Br)c2ccccc2 270004a_100000701038_100011934733 [0,1,0,0,0,1|1,0,0]=3 5881 B19R2.4481 CC(CNCc1ncccc1Br)c2ccccc2 270004a_100020591323_100000212034 [0,1,0,0,0,1|1,0,0]=3 5882 B19R2.4481 CC(CNCc1ncccc1Br)c2ccccc2 34a_100000701038_100025702911 [0,1,0,0,0,1|1,0,0]=3 5883 B19R2.4481 CC(CNCc1ncccc1Cl)c2ccccc2 207a_100000701038_100012001307 [0,1,0,0,0,1|1,0,0]=3 5884 B19R2.4481 CC(CNCc1ncccc1Cl)c2ccccc2 2230a_100000701038_100000099807 [0,1,0,0,0,1|1,0,0]=3 5885 B19R2.4481 CC(CNCc1ncccc1Cl)c2ccccc2 2230a_100015189233_100000756946 [0,1,0,0,0,1|1,0,0]=3 5886 B19R2.4481 CC(CNCc1ncccc1Cl)c2ccccc2 270004a_100000701038_100012001307 [0,1,0,0,0,1|1,0,0]=3 5887 B19R2.4481 CC(CNCc1ncccc1Cl)c2ccccc2 270004a_100015189233_100000212034 [0,1,0,0,0,1|1,0,0]=3 5888 B19R2.4481 CC(CNCc1ncccc1F)c2ccccc2 207a_100000701038_100011934734 [0,1,0,0,0,1|1,0,0]=3 5889 B19R2.4481 CC(CNCc1ncccc1F)c2ccccc2 2230a_100000701038_100000104219 [0,1,0,0,0,1|1,0,0]=3 5890 B19R2.4481 CC(CNCc1ncccc1F)c2ccccc2 270004a_100000690088_100000212034 [0,1,0,0,0,1|1,0,0]=3 5891 B19R2.4481 CC(CNCc1ncccc1F)c2ccccc2 270004a_100000701038_100011934734 [0,1,0,0,0,1|1,0,0]=3 5892 B19R2.4481 CC(CNCc1ncccc1F)c2ccccc2 34a_100000690088_100000756946 [0,1,0,0,0,1|1,0,0]=3 5893 B19R2.4481 CC(CNCc1ncccc1F)c2ccccc2 34a_100000701038_100000104219 [0,1,0,0,0,1|1,0,0]=3 5894 B19R2.4481 CC(CNCc1ncccc1O)c2ccccc2 34a_100000701038_200020655725 [0,1,0,0,0,1|1,0,0]=3 5895 B19R2.4481 CC(CNCc1nccnc1Cl)c2ccccc2 2230a_100000729963_100000756946 [0,1,0,0,0,1|2,0,0]=4 5896 B19R2.4481 CC(COCc1ncccc1Br)c2ccccc2 34a_100011215166_100025702911 [0,1,0,0,0,1|2,0,0]=4 5897 B19R2.4481 CC(COCc1ncccc1Br)c2ccccc2 34a_100011996772_100000756946 [0,1,0,0,0,1|2,0,0]=4 5898 B19R2.4481 CC(COCc1ncccc1Br)c2ccccc2 7a_100011215166_100025702911 [0,1,0,0,0,1|2,0,0]=4 5899 B19R2.4481 CC(COCc1ncccc1Cl)c2ccccc2 34a_100012002383_100000756946 [0,1,0,0,0,1|2,0,0]=4 5900 B19R2.4481 CC(COCc1ncccc1Cl)c2ccccc2 7a_100011215166_100000099807 [0,1,0,0,0,1|2,0,0]=4 5901 B19R2.4481 CC(COCc1ncccc1F)c2ccccc2 34a_100011215166_100000104219 [0,1,0,0,0,1|2,0,0]=4 5902 B19R2.4481 CC(COCc1ncccc1F)c2ccccc2 34a_100011934865_100000756946 [0,1,0,0,0,1|2,0,0]=4 5903 B19R2.4481 CC(COCc1ncccc1F)c2ccccc2 7a_100011215166_100000104219 [0,1,0,0,0,1|2,0,0]=4 5904 B19R2.4481 CC(COCc1ncccc1N)c2ccccc2 34a_114873767017_100000756946 [0,1,0,0,0,1|2,0,0]=4 5905 B19R2.4481 CC(COCc1ncccc1O)c2ccccc2 34a_100011215166_200020655725 [0,1,0,0,0,1|2,0,0]=4 5906 B19R2.4481 CC(COCc1ncccc1O)c2ccccc2 7a_100011215166_200020655725 [0,1,0,0,0,1|2,0,0]=4 5907 B19R2.4481 CC(CSCc1ncccc1Br)c2ccccc2 62a_100000756946_100025702911 [0,1,0,0,0,1|2,0,0]=4 5908 B19R2.4481 CC(CSCc1ncccc1Br)c2ccccc2 62a_100025702911_100000756946 [0,1,0,0,0,1|2,0,0]=4 5909 B19R2.4481 CC(CSCc1ncccc1Cl)c2ccccc2 62a_100000099807_100000756946 [0,1,0,0,0,1|2,0,0]=4 5910 B19R2.4481 CC(CSCc1ncccc1Cl)c2ccccc2 62a_100000756946_100000099807 [0,1,0,0,0,1|2,0,0]=4 5911 B19R2.4481 CC(CSCc1ncccc1F)c2ccccc2 62a_100000104219_100000756946 [0,1,0,0,0,1|2,0,0]=4 5912 B19R2.4481 CC(CSCc1ncccc1F)c2ccccc2 62a_100000756946_100000104219 [0,1,0,0,0,1|2,0,0]=4 5913 B19R2.4481 CC(CSCc1ncccc1O)c2ccccc2 62a_100000756946_200020655725 [0,1,0,0,0,1|2,0,0]=4 5914 B19R2.4481 CC(CSCc1ncccc1O)c2ccccc2 62a_200020655725_100000756946 [0,1,0,0,0,1|2,0,0]=4 5915 B19R2.4481 CN(CCNc1ncccc1Br)c2ccccc2 27a_100000231046_100000696092 [0,1,0,0,0,1|2,0,0]=4 5916 B19R2.4481 C[n+]1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000212160 [0,1,0,0,0,1|1,0,1]=4 5917 B19R2.4481 Cc1ccccc1CNCC(C)c2ccccc2 207a_100000701038_100000211143 [0,1,0,0,0,1|2,0,0]=4 5918 B19R2.4481 Cc1ccccc1CNCC(C)c2ccccc2 2230a_100000701038_100000211839 [0,1,0,0,0,1|2,0,0]=4 5919 B19R2.4481 Cc1ccccc1CNCC(C)c2ccccc2 270004a_100000174972_100000212034 [0,1,0,0,0,1|2,0,0]=4 5920 B19R2.4481 Cc1ccccc1CNCC(C)c2ccccc2 270004a_100000701038_100000211143 [0,1,0,0,0,1|2,0,0]=4 5921 B19R2.4481 Cc1ccccc1CNCC(C)c2ccccc2 34a_100000174972_100000756946 [0,1,0,0,0,1|2,0,0]=4 5922 B19R2.4481 Cc1ccccc1CNCC(C)c2ccccc2 34a_100000701038_100000211839 [0,1,0,0,0,1|2,0,0]=4 5923 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccc2 207a_100000210709_100000211143 [0,1,0,0,0,1|1,0,0]=3 5924 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccc2 2230a_100000210709_100000211839 [0,1,0,0,0,1|1,0,0]=3 5925 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccc2 270004a_100000210709_100000211143 [0,1,0,0,0,1|1,0,0]=3 5926 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccc2 34a_100000174972_100000185958 [0,1,0,0,0,1|1,0,0]=3 5927 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccn2 207a_100000691469_100000211143 [0,1,0,0,0,1|2,0,0]=4 5928 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccn2 2230a_100000691469_100000211839 [0,1,0,0,0,1|2,0,0]=4 5929 B19R2.4481 Cc1ccccc1CNCC(O)c2ccccn2 270004a_100000691469_100000211143 [0,1,0,0,0,1|2,0,0]=4 5930 B19R2.4481 Cc1ccccc1CNCC(O)c2cccnc2 207a_100020605170_100000211143 [0,1,0,0,0,1|2,0,0]=4 5931 B19R2.4481 Cc1ccccc1CNCC(O)c2cccnc2 2230a_100020605170_100000211839 [0,1,0,0,0,1|2,0,0]=4 5932 B19R2.4481 Cc1ccccc1CNCC(O)c2cccnc2 270004a_100020605170_100000211143 [0,1,0,0,0,1|2,0,0]=4 5933 B19R2.4481 Cc1ccccc1CNC[C@@H](O)c2ccccc2 34a_100000174972_100011933945 [0,1,0,0,0,1|1,0,0]=3 5934 B19R2.4481 Cc1ccccc1COCC(O)c2ccccc2 34a_100000698903_100000185958 [0,1,0,0,0,1|2,0,0]=4 5935 B19R2.4481 Cc1ccccc1COCC(O)c2ccccc2 7a_100000698903_100000185958 [0,1,0,0,0,1|2,0,0]=4 5936 B19R2.4481 Cc1ccccc1COC[C@@H](O)c2ccccc2 34a_100000698903_100011933945 [0,1,0,0,0,1|2,0,0]=4 5937 B19R2.4481 Cc1ccccc1COC[C@@H](O)c2ccccc2 7a_100000698903_100011933945 [0,1,0,0,0,1|2,0,0]=4 5938 B19R2.4481 Cc1ccccc1CSCC(O)c2ccccc2 62a_100000185958_100000211839 [0,1,0,0,0,1|2,0,0]=4 5939 B19R2.4481 Cc1ccccc1CSCC(O)c2ccccc2 62a_100000211839_100000185958 [0,1,0,0,0,1|2,0,0]=4 5940 B19R2.4481 Cc1ccccc1CSC[C@@H](O)c2ccccc2 62a_100000211839_100011933945 [0,1,0,0,0,1|2,0,0]=4 5941 B19R2.4481 Cc1ccccc1CSC[C@@H](O)c2ccccc2 62a_100011933945_100000211839 [0,1,0,0,0,1|2,0,0]=4 5942 B19R2.4481 Cc1ccccc1NCC[C@@H](O)c2ccccc2 34a_100015192222_100000729684 [0,1,0,0,0,1|1,0,0]=3 5943 B19R2.4481 Cc1ccccc1OCC[C@@H](O)c2ccccc2 34a_100000210338_100000729684 [0,1,0,0,0,1|2,0,0]=4 5944 B19R2.4481 Cc1ccccc1OCC[C@@H](O)c2ccccc2 7a_100000210338_100000729684 [0,1,0,0,0,1|2,0,0]=4 5945 B19R2.4481 Cc1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000210755_100000729684 [0,1,0,0,0,1|2,0,0]=4 5946 B19R2.4481 Cc1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000210755 [0,1,0,0,0,1|2,0,0]=4 5947 B19R2.4481 Cc1cccnc1CCOC(C)c2ccccc2 34a_100011997706_100000211855 [0,1,0,0,0,1|2,0,0]=4 5948 B19R2.4481 Cc1cccnc1CCOC(C)c2ccccc2 7a_100011997706_100000230085 [0,1,0,0,0,1|2,0,0]=4 5949 B19R2.4481 Cc1cccnc1CNCC(C)c2ccccc2 207a_100000701038_100000698913 [0,1,0,0,0,1|1,0,0]=3 5950 B19R2.4481 Cc1cccnc1CNCC(C)c2ccccc2 2230a_100000701038_100000696600 [0,1,0,0,0,1|1,0,0]=3 5951 B19R2.4481 Cc1cccnc1CNCC(C)c2ccccc2 270004a_100000701038_100000698913 [0,1,0,0,0,1|1,0,0]=3 5952 B19R2.4481 Cc1cccnc1CNCC(C)c2ccccc2 34a_100000701038_100000696600 [0,1,0,0,0,1|1,0,0]=3 5953 B19R2.4481 Cc1cccnc1CNCC(C)c2ccccc2 34a_100011223789_100000756946 [0,1,0,0,0,1|1,0,0]=3 5954 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccc2 207a_100000210709_100000698913 [0,1,0,0,0,1|0,0,0]=2 5955 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccc2 2230a_100000210709_100000696600 [0,1,0,0,0,1|0,0,0]=2 5956 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccc2 270004a_100000210709_100000698913 [0,1,0,0,0,1|0,0,0]=2 5957 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccc2 34a_100011223789_100000185958 [0,1,0,0,0,1|0,0,0]=2 5958 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccn2 207a_100000691469_100000698913 [0,1,0,0,0,1|1,0,0]=3 5959 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccn2 2230a_100000691469_100000696600 [0,1,0,0,0,1|1,0,0]=3 5960 B19R2.4481 Cc1cccnc1CNCC(O)c2ccccn2 270004a_100000691469_100000698913 [0,1,0,0,0,1|1,0,0]=3 5961 B19R2.4481 Cc1cccnc1CNCC(O)c2cccnc2 207a_100020605170_100000698913 [0,1,0,0,0,1|1,0,0]=3 5962 B19R2.4481 Cc1cccnc1CNCC(O)c2cccnc2 2230a_100020605170_100000696600 [0,1,0,0,0,1|1,0,0]=3 5963 B19R2.4481 Cc1cccnc1CNCC(O)c2cccnc2 270004a_100020605170_100000698913 [0,1,0,0,0,1|1,0,0]=3 5964 B19R2.4481 Cc1cccnc1CNC[C@@H](O)c2ccccc2 34a_100011223789_100011933945 [0,1,0,0,0,1|0,0,0]=2 5965 B19R2.4481 Cc1cccnc1COCC(C)c2ccccc2 34a_100000698912_100000756946 [0,1,0,0,0,1|2,0,0]=4 5966 B19R2.4481 Cc1cccnc1COCC(C)c2ccccc2 34a_100011215166_100000696600 [0,1,0,0,0,1|2,0,0]=4 5967 B19R2.4481 Cc1cccnc1COCC(C)c2ccccc2 7a_100011215166_100000696600 [0,1,0,0,0,1|2,0,0]=4 5968 B19R2.4481 Cc1cccnc1COCC(O)c2ccccc2 34a_100000698912_100000185958 [0,1,0,0,0,1|1,0,0]=3 5969 B19R2.4481 Cc1cccnc1COC[C@@H](N)c2ccccc2 34a_100000751927_100000696600 [0,1,0,0,0,1|2,0,0]=4 5970 B19R2.4481 Cc1cccnc1COC[C@@H](O)c2ccccc2 34a_100000698912_100011933945 [0,1,0,0,0,1|1,0,0]=3 5971 B19R2.4481 Cc1cccnc1CSCC(C)c2ccccc2 62a_100000696600_100000756946 [0,1,0,0,0,1|2,0,0]=4 5972 B19R2.4481 Cc1cccnc1CSCC(C)c2ccccc2 62a_100000756946_100000696600 [0,1,0,0,0,1|2,0,0]=4 5973 B19R2.4481 Cc1cccnc1CSCC(O)c2ccccc2 62a_100000185958_100000696600 [0,1,0,0,0,1|1,0,0]=3 5974 B19R2.4481 Cc1cccnc1CSCC(O)c2ccccc2 62a_100000696600_100000185958 [0,1,0,0,0,1|1,0,0]=3 5975 B19R2.4481 Cc1cccnc1CSC[C@@H](O)c2ccccc2 62a_100000696600_100011933945 [0,1,0,0,0,1|1,0,0]=3 5976 B19R2.4481 Cc1cccnc1CSC[C@@H](O)c2ccccc2 62a_100011933945_100000696600 [0,1,0,0,0,1|1,0,0]=3 5977 B19R2.4481 Cc1cccnc1NN=CC(C)c2ccccc2 4a_100000708268_100000212034 [0,1,0,0,0,1|1,0,1]=4 5978 B19R2.4481 Cc1cccnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000751373 [0,1,0,0,0,1|1,0,0]=3 5979 B19R2.4481 Cc1cccnc1SCC[C@@H](O)c2ccccc2 62a_100000751373_100000729684 [0,1,0,0,0,1|1,0,0]=3 5980 B19R2.4481 Cc1ccncc1CNCC(O)c2ccccc2 207a_100000210709_100000685662 [0,1,0,0,0,1|2,0,0]=4 5981 B19R2.4481 Cc1ccncc1CNCC(O)c2ccccc2 2230a_100000210709_100000690890 [0,1,0,0,0,1|2,0,0]=4 5982 B19R2.4481 Cc1ccncc1CNCC(O)c2ccccc2 270004a_100000210709_100000685662 [0,1,0,0,0,1|2,0,0]=4 5983 B19R2.4481 Cc1ccnnc1NCCC(O)c2ccccc2 27a_100000763605_100000089043 [0,1,0,0,0,1|1,0,0]=3 5984 B19R2.4481 Cc1ccnnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000089043 [0,1,0,0,0,1|2,0,0]=4 5985 B19R2.4481 Cc1cnccc1CNCC(O)c2ccccc2 2230a_100000210709_100020672808 [0,1,0,0,0,1|2,0,0]=4 5986 B19R2.4481 Cc1cnccc1NCCC(O)c2ccccc2 27a_100000763605_100000765111 [0,1,0,0,0,1|2,0,0]=4 5987 B19R2.4481 Cc1cncnc1NCCC(O)c2ccccc2 27a_100000763605_100011998708 [0,1,0,0,0,1|1,0,0]=3 5988 B19R2.4481 Cc1cncnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100011998708 [0,1,0,0,0,1|2,0,0]=4 5989 B19R2.4481 Cc1cncnc1SCC[C@@H](O)c2ccccc2 62a_100011998708_100000729684 [0,1,0,0,0,1|2,0,0]=4 5990 B19R2.4481 Cc1ncccc1CNCC(O)c2ccccc2 207a_100000210709_100000751968 [0,1,0,0,0,1|2,0,0]=4 5991 B19R2.4481 Cc1ncccc1CNCC(O)c2ccccc2 2230a_100000210709_100000732876 [0,1,0,0,0,1|2,0,0]=4 5992 B19R2.4481 Cc1ncccc1CNCC(O)c2ccccc2 270004a_100000210709_100000751968 [0,1,0,0,0,1|2,0,0]=4 5993 B19R2.4481 Cc1nccnc1CNCC(C)c2ccccc2 2230a_100020641712_100000756946 [0,1,0,0,0,1|2,0,0]=4 5994 B19R2.4481 Cc1nccnc1CNCC(C)c2ccccc2 270004a_100000701038_100000050726 [0,1,0,0,0,1|2,0,0]=4 5995 B19R2.4481 Cc1nccnc1CNCC(C)c2ccccc2 270004a_100020641712_100000212034 [0,1,0,0,0,1|2,0,0]=4 5996 B19R2.4481 Cc1nccnc1CNCC(C)c2ccccc2 34a_100020641712_100000756946 [0,1,0,0,0,1|2,0,0]=4 5997 B19R2.4481 Cc1nccnc1CNCC(O)c2ccccc2 2230a_100020641712_100000185958 [0,1,0,0,0,1|1,0,0]=3 5998 B19R2.4481 Cc1nccnc1CNCC(O)c2ccccc2 270004a_100000210709_100000050726 [0,1,0,0,0,1|1,0,0]=3 5999 B19R2.4481 Cc1nccnc1CNCC(O)c2ccccc2 34a_100020641712_100000185958 [0,1,0,0,0,1|1,0,0]=3 6000 B19R2.4481 Cc1nccnc1CNCC(O)c2ccccn2 270004a_100000691469_100000050726 [0,1,0,0,0,1|2,0,0]=4 6001 B19R2.4481 Cc1nccnc1CNCC(O)c2cccnc2 270004a_100020605170_100000050726 [0,1,0,0,0,1|2,0,0]=4 6002 B19R2.4481 Cc1nccnc1CNC[C@@H](O)c2ccccc2 2230a_100020641712_100011933945 [0,1,0,0,0,1|1,0,0]=3 6003 B19R2.4481 Cc1nccnc1CNC[C@@H](O)c2ccccc2 34a_100020641712_100011933945 [0,1,0,0,0,1|1,0,0]=3 6004 B19R2.4481 Cc1nccnc1NCCC(O)c2ccccc2 27a_100000763605_100011999405 [0,1,0,0,0,1|1,0,0]=3 6005 B19R2.4481 Cc1nccnc1OCC[C@@H](O)c2ccccc2 34a_100000766352_100000729684 [0,1,0,0,0,1|2,0,0]=4 6006 B19R2.4481 Cc1nccnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100011999405 [0,1,0,0,0,1|2,0,0]=4 6007 B19R2.4481 Cc1nccnc1SCC[C@@H](O)c2ccccc2 62a_100011999405_100000729684 [0,1,0,0,0,1|2,0,0]=4 6008 B19R2.4481 N[C@H](COCc1ncccc1Br)c2ccccc2 34a_100000751927_100025702911 [0,1,0,0,0,1|2,0,0]=4 6009 B19R2.4481 N[C@H](COCc1ncccc1F)c2ccccc2 34a_100000751927_100000104219 [0,1,0,0,0,1|2,0,0]=4 6010 B19R2.4481 N[C@H](COCc1ncccc1O)c2ccccc2 34a_100000751927_200020655725 [0,1,0,0,0,1|2,0,0]=4 6011 B19R2.4481 Nc1ccccc1COCC(O)c2ccccc2 34a_100000212039_100000185958 [0,1,0,0,0,1|2,0,0]=4 6012 B19R2.4481 Nc1ccccc1COC[C@@H](O)c2ccccc2 34a_100000212039_100011933945 [0,1,0,0,0,1|2,0,0]=4 6013 B19R2.4481 Nc1ccccc1OCC[C@@H](O)c2ccccc2 34a_100000185747_100000729684 [0,1,0,0,0,1|2,0,0]=4 6014 B19R2.4481 Nc1ccccc1OCC[C@@H](O)c2ccccc2 7a_100000185747_100000729684 [0,1,0,0,0,1|2,0,0]=4 6015 B19R2.4481 Nc1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000210017_100000729684 [0,1,0,0,0,1|2,0,0]=4 6016 B19R2.4481 Nc1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000210017 [0,1,0,0,0,1|2,0,0]=4 6017 B19R2.4481 Nc1cccnc1COCC(O)c2ccccc2 34a_114873767017_100000185958 [0,1,0,0,0,1|1,0,0]=3 6018 B19R2.4481 Nc1cccnc1COC[C@@H](O)c2ccccc2 34a_114873767017_100011933945 [0,1,0,0,0,1|1,0,0]=3 6019 B19R2.4481 Nc1cccnc1OCC[C@@H](O)c2ccccc2 34a_100000746358_100000729684 [0,1,0,0,0,1|1,0,0]=3 6020 B19R2.4481 Nc1cccnc1SCC[C@@H](O)c2ccccc2 62a_100000688686_100000729684 [0,1,0,0,0,1|1,0,0]=3 6021 B19R2.4481 Nc1cccnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000688686 [0,1,0,0,0,1|1,0,0]=3 6022 B19R2.4481 Nc1cncnc1NCCC(O)c2ccccc2 27a_100000763605_100000709731 [0,1,0,0,0,1|1,0,0]=3 6023 B19R2.4481 Nc1cncnc1SCC[C@@H](O)c2ccccc2 62a_100000709731_100000729684 [0,1,0,0,0,1|2,0,0]=4 6024 B19R2.4481 Nc1cncnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000709731 [0,1,0,0,0,1|2,0,0]=4 6025 B19R2.4481 Nc1nccnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000747729 [0,1,0,0,0,1|2,0,0]=4 6026 B19R2.4481 Nc1nccnc1SCC[C@@H](O)c2ccccc2 62a_100000747729_100000729684 [0,1,0,0,0,1|2,0,0]=4 6027 B19R2.4481 O=c1[nH]ccnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000763361 [0,1,0,0,0,1|2,0,0]=4 6028 B19R2.4481 OC(CCNc1ccncc1Br)c2ccccc2 27a_100000763605_100000726257 [0,1,0,0,0,1|2,0,0]=4 6029 B19R2.4481 OC(CCNc1ccncc1F)c2ccccc2 27a_100000763605_100000035921 [0,1,0,0,0,1|2,0,0]=4 6030 B19R2.4481 OC(CCNc1ncccc1Br)c2ccccc2 27a_100000763605_100000696092 [0,1,0,0,0,1|0,0,0]=2 6031 B19R2.4481 OC(CCNc1nccnc1F)c2ccccc2 27a_100000763605_200010125657 [0,1,0,0,0,1|1,0,0]=3 6032 B19R2.4481 OC(CCNc1ncncc1F)c2ccccc2 27a_100000763605_100000069762 [0,1,0,0,0,1|1,0,0]=3 6033 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccc2 207a_100000210709_100000211189 [0,1,0,0,0,1|1,0,0]=3 6034 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccc2 2230a_100000210709_100000184730 [0,1,0,0,0,1|1,0,0]=3 6035 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccc2 2230a_100000689332_100000185958 [0,1,0,0,0,1|1,0,0]=3 6036 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccc2 270004a_100000210709_100000211189 [0,1,0,0,0,1|1,0,0]=3 6037 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccc2 34a_100000689332_100000185958 [0,1,0,0,0,1|1,0,0]=3 6038 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccn2 207a_100000691469_100000211189 [0,1,0,0,0,1|2,0,0]=4 6039 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccn2 2230a_100000691469_100000184730 [0,1,0,0,0,1|2,0,0]=4 6040 B19R2.4481 OC(CNCc1ccccc1Br)c2ccccn2 270004a_100000691469_100000211189 [0,1,0,0,0,1|2,0,0]=4 6041 B19R2.4481 OC(CNCc1ccccc1Br)c2cccnc2 207a_100020605170_100000211189 [0,1,0,0,0,1|2,0,0]=4 6042 B19R2.4481 OC(CNCc1ccccc1Br)c2cccnc2 2230a_100020605170_100000184730 [0,1,0,0,0,1|2,0,0]=4 6043 B19R2.4481 OC(CNCc1ccccc1Br)c2cccnc2 270004a_100020605170_100000211189 [0,1,0,0,0,1|2,0,0]=4 6044 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccc2 207a_100000210709_100000210073 [0,1,0,0,0,1|1,0,0]=3 6045 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccc2 2230a_100000174879_100000185958 [0,1,0,0,0,1|1,0,0]=3 6046 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccc2 2230a_100000210709_100000187162 [0,1,0,0,0,1|1,0,0]=3 6047 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccc2 270004a_100000210709_100000210073 [0,1,0,0,0,1|1,0,0]=3 6048 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccc2 34a_100000174879_100000185958 [0,1,0,0,0,1|1,0,0]=3 6049 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccn2 207a_100000691469_100000210073 [0,1,0,0,0,1|2,0,0]=4 6050 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccn2 2230a_100000691469_100000187162 [0,1,0,0,0,1|2,0,0]=4 6051 B19R2.4481 OC(CNCc1ccccc1Cl)c2ccccn2 270004a_100000691469_100000210073 [0,1,0,0,0,1|2,0,0]=4 6052 B19R2.4481 OC(CNCc1ccccc1Cl)c2cccnc2 207a_100020605170_100000210073 [0,1,0,0,0,1|2,0,0]=4 6053 B19R2.4481 OC(CNCc1ccccc1Cl)c2cccnc2 2230a_100020605170_100000187162 [0,1,0,0,0,1|2,0,0]=4 6054 B19R2.4481 OC(CNCc1ccccc1Cl)c2cccnc2 270004a_100020605170_100000210073 [0,1,0,0,0,1|2,0,0]=4 6055 B19R2.4481 OC(CNCc1ccccc1F)c2ccccc2 207a_100000210709_100000210811 [0,1,0,0,0,1|1,0,0]=3 6056 B19R2.4481 OC(CNCc1ccccc1F)c2ccccc2 2230a_100000210709_100000211605 [0,1,0,0,0,1|1,0,0]=3 6057 B19R2.4481 OC(CNCc1ccccc1F)c2ccccc2 270004a_100000210709_100000210811 [0,1,0,0,0,1|1,0,0]=3 6058 B19R2.4481 OC(CNCc1ccccc1F)c2ccccc2 34a_100000174869_100000185958 [0,1,0,0,0,1|1,0,0]=3 6059 B19R2.4481 OC(CNCc1ccccc1F)c2ccccn2 207a_100000691469_100000210811 [0,1,0,0,0,1|2,0,0]=4 6060 B19R2.4481 OC(CNCc1ccccc1F)c2ccccn2 2230a_100000691469_100000211605 [0,1,0,0,0,1|2,0,0]=4 6061 B19R2.4481 OC(CNCc1ccccc1F)c2ccccn2 270004a_100000691469_100000210811 [0,1,0,0,0,1|2,0,0]=4 6062 B19R2.4481 OC(CNCc1ccccc1F)c2cccnc2 207a_100020605170_100000210811 [0,1,0,0,0,1|2,0,0]=4 6063 B19R2.4481 OC(CNCc1ccccc1F)c2cccnc2 2230a_100020605170_100000211605 [0,1,0,0,0,1|2,0,0]=4 6064 B19R2.4481 OC(CNCc1ccccc1F)c2cccnc2 270004a_100020605170_100000210811 [0,1,0,0,0,1|2,0,0]=4 6065 B19R2.4481 OC(CNCc1ccccc1I)c2ccccc2 207a_100000210709_100000010305 [0,1,0,0,0,1|1,0,0]=3 6066 B19R2.4481 OC(CNCc1ccccc1I)c2ccccc2 2230a_100000210709_100011215278 [0,1,0,0,0,1|1,0,0]=3 6067 B19R2.4481 OC(CNCc1ccccc1I)c2ccccc2 270004a_100000210709_100000010305 [0,1,0,0,0,1|1,0,0]=3 6068 B19R2.4481 OC(CNCc1ccccc1I)c2ccccn2 207a_100000691469_100000010305 [0,1,0,0,0,1|2,0,0]=4 6069 B19R2.4481 OC(CNCc1ccccc1I)c2ccccn2 2230a_100000691469_100011215278 [0,1,0,0,0,1|2,0,0]=4 6070 B19R2.4481 OC(CNCc1ccccc1I)c2ccccn2 270004a_100000691469_100000010305 [0,1,0,0,0,1|2,0,0]=4 6071 B19R2.4481 OC(CNCc1ccccc1I)c2cccnc2 207a_100020605170_100000010305 [0,1,0,0,0,1|2,0,0]=4 6072 B19R2.4481 OC(CNCc1ccccc1I)c2cccnc2 2230a_100020605170_100011215278 [0,1,0,0,0,1|2,0,0]=4 6073 B19R2.4481 OC(CNCc1ccccc1I)c2cccnc2 270004a_100020605170_100000010305 [0,1,0,0,0,1|2,0,0]=4 6074 B19R2.4481 OC(CNCc1cccnc1Br)c2ccccc2 2230a_100000210709_100010140945 [0,1,0,0,0,1|2,0,0]=4 6075 B19R2.4481 OC(CNCc1cccnc1Br)c2ccccc2 2230a_100009818023_100000185958 [0,1,0,0,0,1|2,0,0]=4 6076 B19R2.4481 OC(CNCc1cccnc1Br)c2ccccc2 34a_100009818023_100000185958 [0,1,0,0,0,1|2,0,0]=4 6077 B19R2.4481 OC(CNCc1cccnc1Cl)c2ccccc2 2230a_100000210709_100000045678 [0,1,0,0,0,1|2,0,0]=4 6078 B19R2.4481 OC(CNCc1cccnc1Cl)c2ccccc2 2230a_100015189234_100000185958 [0,1,0,0,0,1|2,0,0]=4 6079 B19R2.4481 OC(CNCc1cccnc1Cl)c2ccccc2 34a_100015189234_100000185958 [0,1,0,0,0,1|2,0,0]=4 6080 B19R2.4481 OC(CNCc1cccnc1F)c2ccccc2 2230a_100000210709_100000099810 [0,1,0,0,0,1|2,0,0]=4 6081 B19R2.4481 OC(CNCc1cccnc1F)c2ccccc2 34a_100000724633_100000185958 [0,1,0,0,0,1|2,0,0]=4 6082 B19R2.4481 OC(CNCc1ccncc1Br)c2ccccc2 270004a_100000210709_100000755692 [0,1,0,0,0,1|2,0,0]=4 6083 B19R2.4481 OC(CNCc1ccncc1Cl)c2ccccc2 207a_100000210709_100011934409 [0,1,0,0,0,1|2,0,0]=4 6084 B19R2.4481 OC(CNCc1ccncc1Cl)c2ccccc2 2230a_100000210709_100000763264 [0,1,0,0,0,1|2,0,0]=4 6085 B19R2.4481 OC(CNCc1ccncc1Cl)c2ccccc2 270004a_100000210709_100011934409 [0,1,0,0,0,1|2,0,0]=4 6086 B19R2.4481 OC(CNCc1ccncc1F)c2ccccc2 34a_100011935246_100000185958 [0,1,0,0,0,1|2,0,0]=4 6087 B19R2.4481 OC(CNCc1cnccc1Br)c2ccccc2 270004a_100000210709_100009816821 [0,1,0,0,0,1|2,0,0]=4 6088 B19R2.4481 OC(CNCc1cnccc1Cl)c2ccccc2 270004a_100000210709_100000050567 [0,1,0,0,0,1|2,0,0]=4 6089 B19R2.4481 OC(CNCc1ncccc1Br)c2ccccc2 207a_100000210709_100011934733 [0,1,0,0,0,1|0,0,0]=2 6090 B19R2.4481 OC(CNCc1ncccc1Br)c2ccccc2 2230a_100000210709_100025702911 [0,1,0,0,0,1|0,0,0]=2 6091 B19R2.4481 OC(CNCc1ncccc1Br)c2ccccc2 270004a_100000210709_100011934733 [0,1,0,0,0,1|0,0,0]=2 6092 B19R2.4481 OC(CNCc1ncccc1Br)c2ccccn2 207a_100000691469_100011934733 [0,1,0,0,0,1|1,0,0]=3 6093 B19R2.4481 OC(CNCc1ncccc1Br)c2ccccn2 2230a_100000691469_100025702911 [0,1,0,0,0,1|1,0,0]=3 6094 B19R2.4481 OC(CNCc1ncccc1Br)c2ccccn2 270004a_100000691469_100011934733 [0,1,0,0,0,1|1,0,0]=3 6095 B19R2.4481 OC(CNCc1ncccc1Br)c2cccnc2 207a_100020605170_100011934733 [0,1,0,0,0,1|1,0,0]=3 6096 B19R2.4481 OC(CNCc1ncccc1Br)c2cccnc2 2230a_100020605170_100025702911 [0,1,0,0,0,1|1,0,0]=3 6097 B19R2.4481 OC(CNCc1ncccc1Br)c2cccnc2 270004a_100020605170_100011934733 [0,1,0,0,0,1|1,0,0]=3 6098 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccc2 207a_100000210709_100012001307 [0,1,0,0,0,1|0,0,0]=2 6099 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccc2 2230a_100000210709_100000099807 [0,1,0,0,0,1|0,0,0]=2 6100 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccc2 2230a_100015189233_100000185958 [0,1,0,0,0,1|0,0,0]=2 6101 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccc2 270004a_100000210709_100012001307 [0,1,0,0,0,1|0,0,0]=2 6102 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccn2 207a_100000691469_100012001307 [0,1,0,0,0,1|1,0,0]=3 6103 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccn2 2230a_100000691469_100000099807 [0,1,0,0,0,1|1,0,0]=3 6104 B19R2.4481 OC(CNCc1ncccc1Cl)c2ccccn2 270004a_100000691469_100012001307 [0,1,0,0,0,1|1,0,0]=3 6105 B19R2.4481 OC(CNCc1ncccc1Cl)c2cccnc2 207a_100020605170_100012001307 [0,1,0,0,0,1|1,0,0]=3 6106 B19R2.4481 OC(CNCc1ncccc1Cl)c2cccnc2 2230a_100020605170_100000099807 [0,1,0,0,0,1|1,0,0]=3 6107 B19R2.4481 OC(CNCc1ncccc1Cl)c2cccnc2 270004a_100020605170_100012001307 [0,1,0,0,0,1|1,0,0]=3 6108 B19R2.4481 OC(CNCc1ncccc1F)c2ccccc2 207a_100000210709_100011934734 [0,1,0,0,0,1|0,0,0]=2 6109 B19R2.4481 OC(CNCc1ncccc1F)c2ccccc2 2230a_100000210709_100000104219 [0,1,0,0,0,1|0,0,0]=2 6110 B19R2.4481 OC(CNCc1ncccc1F)c2ccccc2 270004a_100000210709_100011934734 [0,1,0,0,0,1|0,0,0]=2 6111 B19R2.4481 OC(CNCc1ncccc1F)c2ccccc2 34a_100000690088_100000185958 [0,1,0,0,0,1|0,0,0]=2 6112 B19R2.4481 OC(CNCc1ncccc1F)c2ccccn2 207a_100000691469_100011934734 [0,1,0,0,0,1|1,0,0]=3 6113 B19R2.4481 OC(CNCc1ncccc1F)c2ccccn2 2230a_100000691469_100000104219 [0,1,0,0,0,1|1,0,0]=3 6114 B19R2.4481 OC(CNCc1ncccc1F)c2ccccn2 270004a_100000691469_100011934734 [0,1,0,0,0,1|1,0,0]=3 6115 B19R2.4481 OC(CNCc1ncccc1F)c2cccnc2 207a_100020605170_100011934734 [0,1,0,0,0,1|1,0,0]=3 6116 B19R2.4481 OC(CNCc1ncccc1F)c2cccnc2 2230a_100020605170_100000104219 [0,1,0,0,0,1|1,0,0]=3 6117 B19R2.4481 OC(CNCc1ncccc1F)c2cccnc2 270004a_100020605170_100011934734 [0,1,0,0,0,1|1,0,0]=3 6118 B19R2.4481 OC(CNCc1nccnc1Cl)c2ccccc2 2230a_100000729963_100000185958 [0,1,0,0,0,1|1,0,0]=3 6119 B19R2.4481 OC(COCc1ccccc1Br)c2ccccc2 34a_100000756307_100000185958 [0,1,0,0,0,1|2,0,0]=4 6120 B19R2.4481 OC(COCc1ccccc1Br)c2ccccc2 7a_100000756307_100000185958 [0,1,0,0,0,1|2,0,0]=4 6121 B19R2.4481 OC(COCc1ccccc1Cl)c2ccccc2 34a_100000210847_100000185958 [0,1,0,0,0,1|2,0,0]=4 6122 B19R2.4481 OC(COCc1ccccc1Cl)c2ccccc2 7a_100000210847_100000185958 [0,1,0,0,0,1|2,0,0]=4 6123 B19R2.4481 OC(COCc1ccccc1F)c2ccccc2 34a_100000211962_100000185958 [0,1,0,0,0,1|2,0,0]=4 6124 B19R2.4481 OC(COCc1ccccc1F)c2ccccc2 7a_100000211962_100000185958 [0,1,0,0,0,1|2,0,0]=4 6125 B19R2.4481 OC(COCc1ccccc1I)c2ccccc2 34a_100000187465_100000185958 [0,1,0,0,0,1|2,0,0]=4 6126 B19R2.4481 OC(COCc1ccccc1I)c2ccccc2 7a_100000187465_100000185958 [0,1,0,0,0,1|2,0,0]=4 6127 B19R2.4481 OC(COCc1ncccc1Br)c2ccccc2 34a_100011996772_100000185958 [0,1,0,0,0,1|1,0,0]=3 6128 B19R2.4481 OC(COCc1ncccc1Cl)c2ccccc2 34a_100012002383_100000185958 [0,1,0,0,0,1|1,0,0]=3 6129 B19R2.4481 OC(COCc1ncccc1F)c2ccccc2 34a_100011934865_100000185958 [0,1,0,0,0,1|1,0,0]=3 6130 B19R2.4481 OC(COCc1nccnc1Cl)c2ccccc2 34a_100000057004_100000185958 [0,1,0,0,0,1|2,0,0]=4 6131 B19R2.4481 OC(CSCc1ccccc1Br)c2ccccc2 62a_100000184730_100000185958 [0,1,0,0,0,1|2,0,0]=4 6132 B19R2.4481 OC(CSCc1ccccc1Br)c2ccccc2 62a_100000185958_100000184730 [0,1,0,0,0,1|2,0,0]=4 6133 B19R2.4481 OC(CSCc1ccccc1Cl)c2ccccc2 62a_100000185958_100000187162 [0,1,0,0,0,1|2,0,0]=4 6134 B19R2.4481 OC(CSCc1ccccc1Cl)c2ccccc2 62a_100000187162_100000185958 [0,1,0,0,0,1|2,0,0]=4 6135 B19R2.4481 OC(CSCc1ccccc1F)c2ccccc2 62a_100000185958_100000211605 [0,1,0,0,0,1|2,0,0]=4 6136 B19R2.4481 OC(CSCc1ccccc1F)c2ccccc2 62a_100000211605_100000185958 [0,1,0,0,0,1|2,0,0]=4 6137 B19R2.4481 OC(CSCc1ccccc1I)c2ccccc2 62a_100000185958_100011216222 [0,1,0,0,0,1|2,0,0]=4 6138 B19R2.4481 OC(CSCc1ccccc1I)c2ccccc2 62a_100011216222_100000185958 [0,1,0,0,0,1|2,0,0]=4 6139 B19R2.4481 OC(CSCc1ncccc1Br)c2ccccc2 62a_100000185958_100025702911 [0,1,0,0,0,1|1,0,0]=3 6140 B19R2.4481 OC(CSCc1ncccc1Br)c2ccccc2 62a_100025702911_100000185958 [0,1,0,0,0,1|1,0,0]=3 6141 B19R2.4481 OC(CSCc1ncccc1Cl)c2ccccc2 62a_100000099807_100000185958 [0,1,0,0,0,1|1,0,0]=3 6142 B19R2.4481 OC(CSCc1ncccc1Cl)c2ccccc2 62a_100000185958_100000099807 [0,1,0,0,0,1|1,0,0]=3 6143 B19R2.4481 OC(CSCc1ncccc1F)c2ccccc2 62a_100000104219_100000185958 [0,1,0,0,0,1|1,0,0]=3 6144 B19R2.4481 OC(CSCc1ncccc1F)c2ccccc2 62a_100000185958_100000104219 [0,1,0,0,0,1|1,0,0]=3 6145 B19R2.4481 O[C@H](CCNc1ccccc1Br)c2ccccc2 34a_100000210017_100000729684 [0,1,0,0,0,1|1,0,0]=3 6146 B19R2.4481 O[C@H](CCNc1ccccc1Cl)c2ccccc2 34a_100000185783_100000729684 [0,1,0,0,0,1|1,0,0]=3 6147 B19R2.4481 O[C@H](CCNc1ccccc1F)c2ccccc2 34a_100000210422_100000729684 [0,1,0,0,0,1|1,0,0]=3 6148 B19R2.4481 O[C@H](CCNc1ccccc1I)c2ccccc2 34a_100000210053_100000729684 [0,1,0,0,0,1|1,0,0]=3 6149 B19R2.4481 O[C@H](CCOc1ccccc1Br)c2ccccc2 34a_100000181306_100000729684 [0,1,0,0,0,1|2,0,0]=4 6150 B19R2.4481 O[C@H](CCOc1ccccc1Br)c2ccccc2 7a_100000181306_100000729684 [0,1,0,0,0,1|2,0,0]=4 6151 B19R2.4481 O[C@H](CCOc1ccccc1Cl)c2ccccc2 34a_100000210172_100000729684 [0,1,0,0,0,1|2,0,0]=4 6152 B19R2.4481 O[C@H](CCOc1ccccc1Cl)c2ccccc2 7a_100000210172_100000729684 [0,1,0,0,0,1|2,0,0]=4 6153 B19R2.4481 O[C@H](CCOc1ccccc1F)c2ccccc2 34a_100000210171_100000729684 [0,1,0,0,0,1|2,0,0]=4 6154 B19R2.4481 O[C@H](CCOc1ccccc1F)c2ccccc2 7a_100000210171_100000729684 [0,1,0,0,0,1|2,0,0]=4 6155 B19R2.4481 O[C@H](CCOc1ccccc1I)c2ccccc2 34a_100000739446_100000729684 [0,1,0,0,0,1|2,0,0]=4 6156 B19R2.4481 O[C@H](CCOc1ccccc1I)c2ccccc2 7a_100000739446_100000729684 [0,1,0,0,0,1|2,0,0]=4 6157 B19R2.4481 O[C@H](CCOc1ncccc1Cl)c2ccccc2 34a_100011290957_100000729684 [0,1,0,0,0,1|1,0,0]=3 6158 B19R2.4481 O[C@H](CCOc1ncccc1F)c2ccccc2 34a_100011219419_100000729684 [0,1,0,0,0,1|1,0,0]=3 6159 B19R2.4481 O[C@H](CCSc1ccccc1Br)c2ccccc2 62a_100000695589_100000729684 [0,1,0,0,0,1|2,0,0]=4 6160 B19R2.4481 O[C@H](CCSc1ccccc1Br)c2ccccc2 62a_100000729684_100000695589 [0,1,0,0,0,1|2,0,0]=4 6161 B19R2.4481 O[C@H](CCSc1ccccc1Cl)c2ccccc2 62a_100000729684_100000764095 [0,1,0,0,0,1|2,0,0]=4 6162 B19R2.4481 O[C@H](CCSc1ccccc1Cl)c2ccccc2 62a_100000764095_100000729684 [0,1,0,0,0,1|2,0,0]=4 6163 B19R2.4481 O[C@H](CCSc1ccccc1F)c2ccccc2 62a_100000729684_100011215700 [0,1,0,0,0,1|2,0,0]=4 6164 B19R2.4481 O[C@H](CCSc1ccccc1F)c2ccccc2 62a_100011215700_100000729684 [0,1,0,0,0,1|2,0,0]=4 6165 B19R2.4481 O[C@H](CCSc1ncccc1Br)c2ccccc2 62a_100000696092_100000729684 [0,1,0,0,0,1|1,0,0]=3 6166 B19R2.4481 O[C@H](CCSc1ncccc1Br)c2ccccc2 62a_100000729684_100000696092 [0,1,0,0,0,1|1,0,0]=3 6167 B19R2.4481 O[C@H](CCSc1ncccc1Cl)c2ccccc2 62a_100000729684_100011356963 [0,1,0,0,0,1|1,0,0]=3 6168 B19R2.4481 O[C@H](CCSc1ncccc1Cl)c2ccccc2 62a_100011356963_100000729684 [0,1,0,0,0,1|1,0,0]=3 6169 B19R2.4481 O[C@H](CCSc1ncccc1F)c2ccccc2 62a_100000685392_100000729684 [0,1,0,0,0,1|1,0,0]=3 6170 B19R2.4481 O[C@H](CCSc1ncccc1F)c2ccccc2 62a_100000729684_100000685392 [0,1,0,0,0,1|1,0,0]=3 6171 B19R2.4481 O[C@H](CCSc1nccnc1Cl)c2ccccc2 62a_100000729684_100010886584 [0,1,0,0,0,1|2,0,0]=4 6172 B19R2.4481 O[C@H](CCSc1nccnc1Cl)c2ccccc2 62a_100010886584_100000729684 [0,1,0,0,0,1|2,0,0]=4 6173 B19R2.4481 O[C@H](CCSc1nccnc1F)c2ccccc2 62a_100000729684_200010125657 [0,1,0,0,0,1|2,0,0]=4 6174 B19R2.4481 O[C@H](CCSc1nccnc1F)c2ccccc2 62a_200010125657_100000729684 [0,1,0,0,0,1|2,0,0]=4 6175 B19R2.4481 O[C@H](CCSc1ncncc1F)c2ccccc2 62a_100000069762_100000729684 [0,1,0,0,0,1|2,0,0]=4 6176 B19R2.4481 O[C@H](CCSc1ncncc1F)c2ccccc2 62a_100000729684_100000069762 [0,1,0,0,0,1|2,0,0]=4 6177 B19R2.4481 O[C@H](CNCc1ccccc1Br)c2ccccc2 2230a_100000689332_100011933945 [0,1,0,0,0,1|1,0,0]=3 6178 B19R2.4481 O[C@H](CNCc1ccccc1Br)c2ccccc2 34a_100000689332_100011933945 [0,1,0,0,0,1|1,0,0]=3 6179 B19R2.4481 O[C@H](CNCc1ccccc1Cl)c2ccccc2 2230a_100000174879_100011933945 [0,1,0,0,0,1|1,0,0]=3 6180 B19R2.4481 O[C@H](CNCc1ccccc1Cl)c2ccccc2 34a_100000174879_100011933945 [0,1,0,0,0,1|1,0,0]=3 6181 B19R2.4481 O[C@H](CNCc1ccccc1F)c2ccccc2 34a_100000174869_100011933945 [0,1,0,0,0,1|1,0,0]=3 6182 B19R2.4481 O[C@H](CNCc1cccnc1Br)c2ccccc2 2230a_100009818023_100011933945 [0,1,0,0,0,1|2,0,0]=4 6183 B19R2.4481 O[C@H](CNCc1cccnc1Br)c2ccccc2 34a_100009818023_100011933945 [0,1,0,0,0,1|2,0,0]=4 6184 B19R2.4481 O[C@H](CNCc1cccnc1Cl)c2ccccc2 2230a_100015189234_100011933945 [0,1,0,0,0,1|2,0,0]=4 6185 B19R2.4481 O[C@H](CNCc1cccnc1Cl)c2ccccc2 34a_100015189234_100011933945 [0,1,0,0,0,1|2,0,0]=4 6186 B19R2.4481 O[C@H](CNCc1cccnc1F)c2ccccc2 34a_100000724633_100011933945 [0,1,0,0,0,1|2,0,0]=4 6187 B19R2.4481 O[C@H](CNCc1ccncc1F)c2ccccc2 34a_100011935246_100011933945 [0,1,0,0,0,1|2,0,0]=4 6188 B19R2.4481 O[C@H](CNCc1ncccc1Cl)c2ccccc2 2230a_100015189233_100011933945 [0,1,0,0,0,1|0,0,0]=2 6189 B19R2.4481 O[C@H](CNCc1ncccc1F)c2ccccc2 34a_100000690088_100011933945 [0,1,0,0,0,1|0,0,0]=2 6190 B19R2.4481 O[C@H](CNCc1nccnc1Cl)c2ccccc2 2230a_100000729963_100011933945 [0,1,0,0,0,1|1,0,0]=3 6191 B19R2.4481 O[C@H](COCc1ccccc1Br)c2ccccc2 34a_100000756307_100011933945 [0,1,0,0,0,1|2,0,0]=4 6192 B19R2.4481 O[C@H](COCc1ccccc1Br)c2ccccc2 7a_100000756307_100011933945 [0,1,0,0,0,1|2,0,0]=4 6193 B19R2.4481 O[C@H](COCc1ccccc1Cl)c2ccccc2 34a_100000210847_100011933945 [0,1,0,0,0,1|2,0,0]=4 6194 B19R2.4481 O[C@H](COCc1ccccc1Cl)c2ccccc2 7a_100000210847_100011933945 [0,1,0,0,0,1|2,0,0]=4 6195 B19R2.4481 O[C@H](COCc1ccccc1F)c2ccccc2 34a_100000211962_100011933945 [0,1,0,0,0,1|2,0,0]=4 6196 B19R2.4481 O[C@H](COCc1ccccc1F)c2ccccc2 7a_100000211962_100011933945 [0,1,0,0,0,1|2,0,0]=4 6197 B19R2.4481 O[C@H](COCc1ccccc1I)c2ccccc2 34a_100000187465_100011933945 [0,1,0,0,0,1|2,0,0]=4 6198 B19R2.4481 O[C@H](COCc1ccccc1I)c2ccccc2 7a_100000187465_100011933945 [0,1,0,0,0,1|2,0,0]=4 6199 B19R2.4481 O[C@H](COCc1ncccc1Br)c2ccccc2 34a_100011996772_100011933945 [0,1,0,0,0,1|1,0,0]=3 6200 B19R2.4481 O[C@H](COCc1ncccc1Cl)c2ccccc2 34a_100012002383_100011933945 [0,1,0,0,0,1|1,0,0]=3 6201 B19R2.4481 O[C@H](COCc1ncccc1F)c2ccccc2 34a_100011934865_100011933945 [0,1,0,0,0,1|1,0,0]=3 6202 B19R2.4481 O[C@H](COCc1nccnc1Cl)c2ccccc2 34a_100000057004_100011933945 [0,1,0,0,0,1|2,0,0]=4 6203 B19R2.4481 O[C@H](CSCc1ccccc1Br)c2ccccc2 62a_100000184730_100011933945 [0,1,0,0,0,1|2,0,0]=4 6204 B19R2.4481 O[C@H](CSCc1ccccc1Br)c2ccccc2 62a_100011933945_100000184730 [0,1,0,0,0,1|2,0,0]=4 6205 B19R2.4481 O[C@H](CSCc1ccccc1Cl)c2ccccc2 62a_100000187162_100011933945 [0,1,0,0,0,1|2,0,0]=4 6206 B19R2.4481 O[C@H](CSCc1ccccc1Cl)c2ccccc2 62a_100011933945_100000187162 [0,1,0,0,0,1|2,0,0]=4 6207 B19R2.4481 O[C@H](CSCc1ccccc1F)c2ccccc2 62a_100000211605_100011933945 [0,1,0,0,0,1|2,0,0]=4 6208 B19R2.4481 O[C@H](CSCc1ccccc1F)c2ccccc2 62a_100011933945_100000211605 [0,1,0,0,0,1|2,0,0]=4 6209 B19R2.4481 O[C@H](CSCc1ccccc1I)c2ccccc2 62a_100011216222_100011933945 [0,1,0,0,0,1|2,0,0]=4 6210 B19R2.4481 O[C@H](CSCc1ccccc1I)c2ccccc2 62a_100011933945_100011216222 [0,1,0,0,0,1|2,0,0]=4 6211 B19R2.4481 O[C@H](CSCc1ncccc1Br)c2ccccc2 62a_100011933945_100025702911 [0,1,0,0,0,1|1,0,0]=3 6212 B19R2.4481 O[C@H](CSCc1ncccc1Br)c2ccccc2 62a_100025702911_100011933945 [0,1,0,0,0,1|1,0,0]=3 6213 B19R2.4481 O[C@H](CSCc1ncccc1Cl)c2ccccc2 62a_100000099807_100011933945 [0,1,0,0,0,1|1,0,0]=3 6214 B19R2.4481 O[C@H](CSCc1ncccc1Cl)c2ccccc2 62a_100011933945_100000099807 [0,1,0,0,0,1|1,0,0]=3 6215 B19R2.4481 O[C@H](CSCc1ncccc1F)c2ccccc2 62a_100000104219_100011933945 [0,1,0,0,0,1|1,0,0]=3 6216 B19R2.4481 O[C@H](CSCc1ncccc1F)c2ccccc2 62a_100011933945_100000104219 [0,1,0,0,0,1|1,0,0]=3 6217 B19R2.4481 Oc1ccccc1CNCC(O)c2ccccc2 34a_100000185550_100000185958 [0,1,0,0,0,1|1,0,0]=3 6218 B19R2.4481 Oc1ccccc1CNC[C@@H](O)c2ccccc2 34a_100000185550_100011933945 [0,1,0,0,0,1|1,0,0]=3 6219 B19R2.4481 Oc1ccccc1NCC[C@@H](O)c2ccccc2 34a_100000185747_100000729684 [0,1,0,0,0,1|1,0,0]=3 6220 B19R2.4481 Oc1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000739446 [0,1,0,0,0,1|2,0,0]=4 6221 B19R2.4481 Oc1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000739446_100000729684 [0,1,0,0,0,1|2,0,0]=4 6222 B19R2.4481 Oc1cccnc1CSCC(O)c2ccccc2 62a_100000185958_200020655725 [0,1,0,0,0,1|1,0,0]=3 6223 B19R2.4481 Oc1cccnc1CSCC(O)c2ccccc2 62a_200020655725_100000185958 [0,1,0,0,0,1|1,0,0]=3 6224 B19R2.4481 Oc1cccnc1CSC[C@@H](O)c2ccccc2 62a_100011933945_200020655725 [0,1,0,0,0,1|1,0,0]=3 6225 B19R2.4481 Oc1cccnc1CSC[C@@H](O)c2ccccc2 62a_200020655725_100011933945 [0,1,0,0,0,1|1,0,0]=3 6226 B19R2.4481 Oc1cccnc1SCC[C@@H](O)c2ccccc2 62a_100000034122_100000729684 [0,1,0,0,0,1|1,0,0]=3 6227 B19R2.4481 Oc1cccnc1SCC[C@@H](O)c2ccccc2 62a_100000729684_100000034122 [0,1,0,0,0,1|1,0,0]=3 6228 B19R2.4481 Oc1ncccc1CNCC(O)c2ccccc2 207a_100000210709_100011998315 [0,1,0,0,0,1|2,0,0]=4 6229 B19R2.4481 Oc1ncccc1CNCC(O)c2ccccc2 270004a_100000210709_100011998315 [0,1,0,0,0,1|2,0,0]=4 6230 B19R2.4481 [O-][n+]1ccccc1OCC[C@@H](O)c2ccccc2 7a_100000211761_100000729684 [0,1,0,0,0,1|1,0,1]=4 6231 B19R2.4481 [O-][n+]1ccccc1SCC[C@@H](O)c2ccccc2 62a_100000729684_200000042595 [0,1,0,0,0,1|1,0,1]=4 6232 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2Br 2230a_100000181357_100015183660 [0,1,0,0,0,1|2,0,0]=4 6233 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2Br 269862a_100000211156_100000187085 [0,1,0,0,0,1|2,0,0]=4 6234 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2Cl 2230a_100000174978_100015183660 [0,1,0,0,0,1|2,0,0]=4 6235 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2Cl 269862a_100000211156_100000210134 [0,1,0,0,0,1|2,0,0]=4 6236 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2F 2230a_100000181408_100015183660 [0,1,0,0,0,1|2,0,0]=4 6237 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2F 269862a_100000211156_100000210632 [0,1,0,0,0,1|2,0,0]=4 6238 B19R2.5666 CC(NCCc1ccccn1)c2ccccc2I 269862a_100000211156_100000751169 [0,1,0,0,0,1|2,0,0]=4 6239 B19R2.5666 CC(OCCc1ccccn1)c2ccccc2Br 7a_100000702211_100015183660 [0,1,0,0,0,1|2,0,0]=4 6240 B19R2.5666 CC(OCCc1ccccn1)c2ccccc2Cl 7a_100000740796_100015183660 [0,1,0,0,0,1|2,0,0]=4 6241 B19R2.5666 CC(OCCc1ccccn1)c2ccccc2F 34a_100000210271_200000741388 [0,1,0,0,0,1|2,0,0]=4 6242 B19R2.5666 CC(OCCc1ccccn1)c2ccccc2F 7a_100000697922_100015183660 [0,1,0,0,0,1|2,0,0]=4 6243 B19R2.5666 CC(OCCc1ccccn1)c2ccccc2N 7a_100011405641_100015183660 [0,1,0,0,0,1|2,0,0]=4 6244 B19R2.5666 CC(SCCc1ccccn1)c2ccccc2Cl 62a_100000181259_100015183660 [0,1,0,0,0,1|2,0,0]=4 6245 B19R2.5666 CC(SCCc1ccccn1)c2ccccc2Cl 62a_100015183660_100000181259 [0,1,0,0,0,1|2,0,0]=4 6246 B19R2.5666 CC(SCCc1ccccn1)c2ccccc2F 62a_100015183660_200000741388 [0,1,0,0,0,1|2,0,0]=4 6247 B19R2.5666 CC(SCCc1ccccn1)c2ccccc2F 62a_200000741388_100015183660 [0,1,0,0,0,1|2,0,0]=4 6248 B19R2.5666 C[C@@H](NCCc1ccccn1)c2ccccc2O 2230a_100025703389_100015183660 [0,1,0,0,0,1|2,0,0]=4 6249 B19R2.5666 Cc1ccccc1C(C)NCCc2ccccn2 2230a_100000181355_100015183660 [0,1,0,0,0,1|2,0,0]=4 6250 B19R2.5666 Cc1ccccc1C(C)NCCc2ccccn2 269862a_100000211156_100000211656 [0,1,0,0,0,1|2,0,0]=4 6251 B19R2.5666 Cc1ccccc1C(C)OCCc2ccccn2 7a_100000742021_100015183660 [0,1,0,0,0,1|2,0,0]=4 6252 B19R2.5666 NC(COCc1ccccn1)c2ccccc2Cl 34a_100138412506_100000721315 [0,1,0,0,0,1|2,0,0]=4 6253 B19R2.5666 N[C@@H](COCc1ccccn1)c2ccccc2F 34a_100009818778_100000721315 [0,1,0,0,0,1|2,0,0]=4 6254 B19R2.5666 N[C@H](COCc1ccccn1)c2ccccc2Br 34a_100161155918_100000721315 [0,1,0,0,0,1|2,0,0]=4 6255 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Br 207a_100011236429_100015611070 [0,1,0,0,0,1|1,0,0]=3 6256 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Br 2230a_100011236429_100015291786 [0,1,0,0,0,1|1,0,0]=3 6257 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Br 270004a_100011236429_100015611070 [0,1,0,0,0,1|1,0,0]=3 6258 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Cl 207a_200000759403_100015611070 [0,1,0,0,0,1|1,0,0]=3 6259 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Cl 2230a_200000759403_100015291786 [0,1,0,0,0,1|1,0,0]=3 6260 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Cl 270004a_200000759403_100015611070 [0,1,0,0,0,1|1,0,0]=3 6261 B19R2.5666 OC(CNCc1ccccc1)c2ccccc2Cl 34a_200000759403_100015291786 [0,1,0,0,0,1|1,0,0]=3 6262 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Br 207a_100011236429_100000209966 [0,1,0,0,0,1|0,0,0]=2 6263 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Br 2230a_100011236429_100000721315 [0,1,0,0,0,1|0,0,0]=2 6264 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Br 270004a_100011236429_100000209966 [0,1,0,0,0,1|0,0,0]=2 6265 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Cl 207a_200000759403_100000209966 [0,1,0,0,0,1|0,0,0]=2 6266 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Cl 2230a_200000759403_100000721315 [0,1,0,0,0,1|0,0,0]=2 6267 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Cl 270004a_200000759403_100000209966 [0,1,0,0,0,1|0,0,0]=2 6268 B19R2.5666 OC(CNCc1ccccn1)c2ccccc2Cl 34a_200000759403_100000721315 [0,1,0,0,0,1|0,0,0]=2 6269 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Br 207a_100011236429_100000209961 [0,1,0,0,0,1|2,0,0]=4 6270 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Br 2230a_100011236429_100000741622 [0,1,0,0,0,1|2,0,0]=4 6271 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Br 270004a_100011236429_100000209961 [0,1,0,0,0,1|2,0,0]=4 6272 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Cl 207a_200000759403_100000209961 [0,1,0,0,0,1|2,0,0]=4 6273 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Cl 2230a_200000759403_100000741622 [0,1,0,0,0,1|2,0,0]=4 6274 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Cl 270004a_200000759403_100000209961 [0,1,0,0,0,1|2,0,0]=4 6275 B19R2.5666 OC(CNCc1cccnc1)c2ccccc2Cl 34a_200000759403_100000733263 [0,1,0,0,0,1|2,0,0]=4 6276 B19R2.5666 OC(CNCc1cccnn1)c2ccccc2Br 2230a_100011236429_100016990269 [0,1,0,0,0,1|1,0,0]=3 6277 B19R2.5666 OC(CNCc1cccnn1)c2ccccc2Cl 2230a_200000759403_100016990269 [0,1,0,0,0,1|1,0,0]=3 6278 B19R2.5666 OC(CNCc1cccnn1)c2ccccc2Cl 34a_200000759403_100016990269 [0,1,0,0,0,1|1,0,0]=3 6279 B19R2.5666 OC(CNCc1ccncc1)c2ccccc2Br 207a_100011236429_100000186114 [0,1,0,0,0,1|2,0,0]=4 6280 B19R2.5666 OC(CNCc1ccncc1)c2ccccc2Br 2230a_100011236429_100015193705 [0,1,0,0,0,1|2,0,0]=4 6281 B19R2.5666 OC(CNCc1ccncc1)c2ccccc2Cl 207a_200000759403_100000186114 [0,1,0,0,0,1|2,0,0]=4 6282 B19R2.5666 OC(CNCc1ccncc1)c2ccccc2Cl 2230a_200000759403_100015193705 [0,1,0,0,0,1|2,0,0]=4 6283 B19R2.5666 OC(CNCc1cnccn1)c2ccccc2Br 2230a_100011236429_100016995436 [0,1,0,0,0,1|1,0,0]=3 6284 B19R2.5666 OC(CNCc1cnccn1)c2ccccc2Br 270004a_100011236429_100000749867 [0,1,0,0,0,1|1,0,0]=3 6285 B19R2.5666 OC(CNCc1cnccn1)c2ccccc2Cl 2230a_200000759403_100016995436 [0,1,0,0,0,1|1,0,0]=3 6286 B19R2.5666 OC(CNCc1cnccn1)c2ccccc2Cl 270004a_200000759403_100000749867 [0,1,0,0,0,1|1,0,0]=3 6287 B19R2.5666 OC(CNCc1cnccn1)c2ccccc2Cl 34a_200000759403_100016995436 [0,1,0,0,0,1|1,0,0]=3 6288 B19R2.5666 OC(CNCc1ncccn1)c2ccccc2Br 2230a_100011236429_100000703007 [0,1,0,0,0,1|1,0,0]=3 6289 B19R2.5666 OC(CNCc1ncccn1)c2ccccc2Br 270004a_100011236429_100011532527 [0,1,0,0,0,1|1,0,0]=3 6290 B19R2.5666 OC(CNCc1ncccn1)c2ccccc2Cl 2230a_200000759403_100000703007 [0,1,0,0,0,1|1,0,0]=3 6291 B19R2.5666 OC(CNCc1ncccn1)c2ccccc2Cl 270004a_200000759403_100011532527 [0,1,0,0,0,1|1,0,0]=3 6292 B19R2.5666 OC(CNCc1ncccn1)c2ccccc2Cl 34a_200000759403_100000703007 [0,1,0,0,0,1|1,0,0]=3 6293 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 11a_100000701038_100000185807 [0,1,0,0,0,1|2,0,0]=4 6294 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 1626a_100000701038_100000185807 [0,1,0,0,0,1|2,0,0]=4 6295 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 240690a_100000701038_100000185807 [0,1,0,0,0,1|2,0,0]=4 6296 B19R2.8898 CC(CNC(=O)c1ccccc1)c2ccccc2 527a_100000701038_100000185807 [0,1,0,0,0,1|2,0,0]=4 6297 B19R2.8898 CC(CNC(C)c1ccccc1)c2ccccc2 2230a_100000701038_100000230085 [0,1,0,0,0,1|2,0,0]=4 6298 B19R2.8898 CC(CNC(C)c1ccccc1)c2ccccc2 269862a_100000701038_100000185851 [0,1,0,0,0,1|2,0,0]=4 6299 B19R2.8898 CC(CNC(C)c1ccccc1)c2ccccc2 34a_100000701038_100000211855 [0,1,0,0,0,1|2,0,0]=4 6300 B19R2.8898 CC(CNC(C)c1ccccn1)c2ccccc2 2230a_100000181244_100000756946 [0,1,0,0,0,1|1,0,0]=3 6301 B19R2.8898 CC(CNC(C)c1ccccn1)c2ccccc2 269862a_100000701038_100000210467 [0,1,0,0,0,1|1,0,0]=3 6302 B19R2.8898 CC(CNC(C)c1ccccn1)c2ccccc2 270004a_100000181244_100000212034 [0,1,0,0,0,1|1,0,0]=3 6303 B19R2.8898 CC(CNC(C)c1cccnn1)c2ccccc2 269862a_100000701038_100009866853 [0,1,0,0,0,1|2,0,0]=4 6304 B19R2.8898 CC(CNC(C)c1cnccn1)c2ccccc2 2230a_100000701038_200000703233 [0,1,0,0,0,1|2,0,0]=4 6305 B19R2.8898 CC(CNC(C)c1cnccn1)c2ccccc2 269862a_100000701038_100000751083 [0,1,0,0,0,1|2,0,0]=4 6306 B19R2.8898 CC(CNC(C)c1ncccn1)c2ccccc2 2230a_100020641698_100000756946 [0,1,0,0,0,1|2,0,0]=4 6307 B19R2.8898 CC(CNC(C)c1ncccn1)c2ccccc2 270004a_100000701038_100011350828 [0,1,0,0,0,1|2,0,0]=4 6308 B19R2.8898 CC(CNC(C)c1ncccn1)c2ccccc2 270004a_100020641698_100000212034 [0,1,0,0,0,1|2,0,0]=4 6309 B19R2.8898 CC(CN[C@H](C)c1ccccc1)c2ccccc2 2230a_100000751104_100000756946 [0,1,0,0,0,1|2,0,0]=4 6310 B19R2.8898 CC(CN[C@H](C)c1ccccc1)c2ccccc2 270004a_100000751104_100000212034 [0,1,0,0,0,1|2,0,0]=4 6311 B19R2.8898 CC(CN[C@H](C)c1cnccn1)c2ccccc2 2230a_100020589798_100000756946 [0,1,0,0,0,1|2,0,0]=4 6312 B19R2.8898 CC(CN[C@H](C)c1cnccn1)c2ccccc2 270004a_100020589798_100000212034 [0,1,0,0,0,1|2,0,0]=4 6313 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccccc2 2230a_100000210709_100000230085 [0,1,0,0,0,1|1,0,0]=3 6314 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccccc2 269862a_100000210709_100000185851 [0,1,0,0,0,1|1,0,0]=3 6315 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccccn2 2230a_100000181244_100000185958 [0,1,0,0,0,1|0,0,0]=2 6316 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccccn2 269862a_100000210709_100000210467 [0,1,0,0,0,1|0,0,0]=2 6317 B19R2.8898 CC(NCC(O)c1ccccc1)c2cccnc2 2230a_100000195435_100000185958 [0,1,0,0,0,1|2,0,0]=4 6318 B19R2.8898 CC(NCC(O)c1ccccc1)c2cccnc2 269862a_100000210709_100000210468 [0,1,0,0,0,1|2,0,0]=4 6319 B19R2.8898 CC(NCC(O)c1ccccc1)c2cccnn2 269862a_100000210709_100009866853 [0,1,0,0,0,1|1,0,0]=3 6320 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccncc2 2230a_100000181269_100000185958 [0,1,0,0,0,1|2,0,0]=4 6321 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccncc2 269862a_100000210709_100000185792 [0,1,0,0,0,1|2,0,0]=4 6322 B19R2.8898 CC(NCC(O)c1ccccc1)c2cnccn2 2230a_100000210709_200000703233 [0,1,0,0,0,1|1,0,0]=3 6323 B19R2.8898 CC(NCC(O)c1ccccc1)c2cnccn2 269862a_100000210709_100000751083 [0,1,0,0,0,1|1,0,0]=3 6324 B19R2.8898 CC(NCC(O)c1ccccc1)c2ncccn2 2230a_100020641698_100000185958 [0,1,0,0,0,1|1,0,0]=3 6325 B19R2.8898 CC(NCC(O)c1ccccc1)c2ncccn2 270004a_100000210709_100011350828 [0,1,0,0,0,1|1,0,0]=3 6326 B19R2.8898 CC(NCC(O)c1ccccn1)c2ccccc2 2230a_100000691469_100000230085 [0,1,0,0,0,1|2,0,0]=4 6327 B19R2.8898 CC(NCC(O)c1ccccn1)c2ccccc2 269862a_100000691469_100000185851 [0,1,0,0,0,1|2,0,0]=4 6328 B19R2.8898 CC(NCC(O)c1ccccn1)c2ccccn2 269862a_100000691469_100000210467 [0,1,0,0,0,1|1,0,0]=3 6329 B19R2.8898 CC(NCC(O)c1ccccn1)c2cccnn2 269862a_100000691469_100009866853 [0,1,0,0,0,1|2,0,0]=4 6330 B19R2.8898 CC(NCC(O)c1ccccn1)c2cnccn2 2230a_100000691469_200000703233 [0,1,0,0,0,1|2,0,0]=4 6331 B19R2.8898 CC(NCC(O)c1ccccn1)c2cnccn2 269862a_100000691469_100000751083 [0,1,0,0,0,1|2,0,0]=4 6332 B19R2.8898 CC(NCC(O)c1ccccn1)c2ncccn2 270004a_100000691469_100011350828 [0,1,0,0,0,1|2,0,0]=4 6333 B19R2.8898 CC(NCC(O)c1cccnc1)c2ccccc2 2230a_100020605170_100000230085 [0,1,0,0,0,1|2,0,0]=4 6334 B19R2.8898 CC(NCC(O)c1cccnc1)c2ccccc2 269862a_100020605170_100000185851 [0,1,0,0,0,1|2,0,0]=4 6335 B19R2.8898 CC(NCC(O)c1cccnc1)c2ccccn2 269862a_100020605170_100000210467 [0,1,0,0,0,1|1,0,0]=3 6336 B19R2.8898 CC(NCC(O)c1cccnc1)c2cccnn2 269862a_100020605170_100009866853 [0,1,0,0,0,1|2,0,0]=4 6337 B19R2.8898 CC(NCC(O)c1cccnc1)c2cnccn2 2230a_100020605170_200000703233 [0,1,0,0,0,1|2,0,0]=4 6338 B19R2.8898 CC(NCC(O)c1cccnc1)c2cnccn2 269862a_100020605170_100000751083 [0,1,0,0,0,1|2,0,0]=4 6339 B19R2.8898 CC(NCC(O)c1cccnc1)c2ncccn2 270004a_100020605170_100011350828 [0,1,0,0,0,1|2,0,0]=4 6340 B19R2.8898 CC(NC[C@@H](O)c1ccccc1)c2ccccn2 2230a_100000181244_100011933945 [0,1,0,0,0,1|0,0,0]=2 6341 B19R2.8898 CC(NC[C@@H](O)c1ccccc1)c2cccnc2 2230a_100000195435_100011933945 [0,1,0,0,0,1|2,0,0]=4 6342 B19R2.8898 CC(NC[C@@H](O)c1ccccc1)c2ccncc2 2230a_100000181269_100011933945 [0,1,0,0,0,1|2,0,0]=4 6343 B19R2.8898 CC(NC[C@@H](O)c1ccccc1)c2ncccn2 2230a_100020641698_100011933945 [0,1,0,0,0,1|1,0,0]=3 6344 B19R2.8898 CC(SCC(=O)c1ccccn1)c2ccccc2 62a_100000027445_100000230085 [0,1,0,0,0,1|2,0,0]=4 6345 B19R2.8898 CC(SCC(=O)c1ccccn1)c2ccccc2 62a_100000230085_100000027445 [0,1,0,0,0,1|2,0,0]=4 6346 B19R2.8898 CC(SCC(O)c1ccccc1)c2ccccc2 62a_100000185958_100000230085 [0,1,0,0,0,1|2,0,0]=4 6347 B19R2.8898 CC(SCC(O)c1ccccc1)c2ccccc2 62a_100000230085_100000185958 [0,1,0,0,0,1|2,0,0]=4 6348 B19R2.8898 CC(SCC(O)c1ccccc1)c2cnccn2 62a_100000185958_200000703233 [0,1,0,0,0,1|2,0,0]=4 6349 B19R2.8898 CC(SCC(O)c1ccccc1)c2cnccn2 62a_200000703233_100000185958 [0,1,0,0,0,1|2,0,0]=4 6350 B19R2.8898 CC(SC[C@@H](O)c1ccccc1)c2ccccc2 62a_100000230085_100011933945 [0,1,0,0,0,1|2,0,0]=4 6351 B19R2.8898 CC(SC[C@@H](O)c1ccccc1)c2ccccc2 62a_100011933945_100000230085 [0,1,0,0,0,1|2,0,0]=4 6352 B19R2.8898 CC(SC[C@@H](O)c1ccccc1)c2cnccn2 62a_100011933945_200000703233 [0,1,0,0,0,1|2,0,0]=4 6353 B19R2.8898 CC(SC[C@@H](O)c1ccccc1)c2cnccn2 62a_200000703233_100011933945 [0,1,0,0,0,1|2,0,0]=4 6354 B19R2.8898 CN(CCC(O)c1ccccc1)c2cccnn2 27a_100011218556_100016991348 [0,1,0,0,0,1|1,0,0]=3 6355 B19R2.8898 CN(CCC(O)c1ccccc1)c2ccncn2 27a_100011218556_100000703185 [0,1,0,0,0,1|1,0,0]=3 6356 B19R2.8898 CN(CCC(O)c1ccccc1)c2cnccn2 27a_100011218556_100000211759 [0,1,0,0,0,1|1,0,0]=3 6357 B19R2.8898 CN(CCC(O)c1ccccc1)c2ncccn2 27a_100011218556_100000211032 [0,1,0,0,0,1|1,0,0]=3 6358 B19R2.8898 CN(CC[C@@H](O)c1ccccc1)c2ccccc2 2230a_100000210012_100000729684 [0,1,0,0,0,1|1,0,0]=3 6359 B19R2.8898 CN(CC[C@@H](O)c1ccccc1)c2ccccc2 269982a_100000210012_100000729684 [0,1,0,0,0,1|1,0,0]=3 6360 B19R2.8898 CN(CC[C@@H](O)c1ccccc1)c2ccccc2 34a_100000210012_100000729684 [0,1,0,0,0,1|1,0,0]=3 6361 B19R2.8898 C[C@@H](NCC(O)c1ccccc1)c2ccccc2 2230a_100000751104_100000185958 [0,1,0,0,0,1|1,0,0]=3 6362 B19R2.8898 C[C@@H](NCC(O)c1ccccc1)c2cnccn2 2230a_100020589798_100000185958 [0,1,0,0,0,1|1,0,0]=3 6363 B19R2.8898 C[C@@H](NC[C@@H](O)c1ccccc1)c2ccccc2 2230a_100000751104_100011933945 [0,1,0,0,0,1|1,0,0]=3 6364 B19R2.8898 C[C@@H](NC[C@@H](O)c1ccccc1)c2cnccn2 2230a_100020589798_100011933945 [0,1,0,0,0,1|1,0,0]=3 6365 B19R2.8898 C[C@@H](OCC(=O)c1ccccn1)c2ccccc2 34a_100000761318_100000027445 [0,1,0,0,0,1|2,0,0]=4 6366 B19R2.8898 C[C@@H](OCC(=O)c1ccccn1)c2ccccc2 7a_100000761318_100000027445 [0,1,0,0,0,1|2,0,0]=4 6367 B19R2.8898 C[C@@H](OCC(O)c1ccccc1)c2ccccc2 34a_100000761318_100000185958 [0,1,0,0,0,1|2,0,0]=4 6368 B19R2.8898 C[C@@H](OCC(O)c1ccccc1)c2ccccc2 7a_100000761318_100000185958 [0,1,0,0,0,1|2,0,0]=4 6369 B19R2.8898 C[C@@H](OC[C@@H](O)c1ccccc1)c2ccccc2 34a_100000761318_100011933945 [0,1,0,0,0,1|2,0,0]=4 6370 B19R2.8898 C[C@@H](OC[C@@H](O)c1ccccc1)c2ccccc2 7a_100000761318_100011933945 [0,1,0,0,0,1|2,0,0]=4 6371 B19R2.8898 O=C(CC[C@@H](O)c1ccccc1)c2ccccc2 1458a_100000185807_100000729684 [0,1,0,0,0,1|2,0,0]=4 6372 B19R2.8898 O=C(NCC(O)c1ccccc1)c2ccccc2 240690a_100000210709_100000185807 [0,1,0,0,0,1|1,0,0]=3 6373 B19R2.8898 O=C(NCC(O)c1ccccc1)c2ccccc2 527a_100000210709_100000185807 [0,1,0,0,0,1|1,0,0]=3 6374 B19R2.8898 O=C(NCC(O)c1ccccn1)c2ccccc2 240690a_100000691469_100000185807 [0,1,0,0,0,1|2,0,0]=4 6375 B19R2.8898 O=C(NCC(O)c1ccccn1)c2ccccc2 527a_100000691469_100000185807 [0,1,0,0,0,1|2,0,0]=4 6376 B19R2.8898 O=C(NCC(O)c1cccnc1)c2ccccc2 240690a_100020605170_100000185807 [0,1,0,0,0,1|2,0,0]=4 6377 B19R2.8898 O=C(NCC(O)c1cccnc1)c2ccccc2 527a_100020605170_100000185807 [0,1,0,0,0,1|2,0,0]=4 6378 B19R2.11850 CC(C=NNc1ccc(cn1)Br)c2ccccc2 4a_100000750576_100000212034 [0,1,0,0,0,1|1,0,1]=4 6379 B19R2.11850 CC(C=NNc1ccc(cn1)Cl)c2ccccc2 4a_100011206499_100000212034 [0,1,0,0,0,1|1,0,1]=4 6380 B19R2.11850 CC(C=NNc1ccc(cn1)F)c2ccccc2 4a_100000753838_100000212034 [0,1,0,0,0,1|1,0,1]=4 6381 B19R2.11850 CC(C=NNc1ccc(cn1)I)c2ccccc2 4a_100010221006_100000212034 [0,1,0,0,0,1|1,0,1]=4 6382 B19R2.11850 CC(CNCc1ccc(=O)[nH]n1)c2ccccc2 207a_100000701038_100011361533 [0,1,0,0,0,1|2,0,0]=4 6383 B19R2.11850 CC(CNCc1ccc(=O)[nH]n1)c2ccccc2 270004a_100000701038_100011361533 [0,1,0,0,0,1|2,0,0]=4 6384 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 207a_100000701038_100000186029 [0,1,0,0,0,1|2,0,0]=4 6385 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 2230a_100000174875_100000756946 [0,1,0,0,0,1|2,0,0]=4 6386 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 2230a_100000701038_100011217064 [0,1,0,0,0,1|2,0,0]=4 6387 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 270004a_100000174875_100000212034 [0,1,0,0,0,1|2,0,0]=4 6388 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 270004a_100000701038_100000186029 [0,1,0,0,0,1|2,0,0]=4 6389 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 34a_100000174875_100000756946 [0,1,0,0,0,1|2,0,0]=4 6390 B19R2.11850 CC(CNCc1ccc(cc1)Br)c2ccccc2 34a_100000701038_100000189115 [0,1,0,0,0,1|2,0,0]=4 6391 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 207a_100000701038_100000189385 [0,1,0,0,0,1|2,0,0]=4 6392 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 2230a_100000174871_100000756946 [0,1,0,0,0,1|2,0,0]=4 6393 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 2230a_100000701038_100000694040 [0,1,0,0,0,1|2,0,0]=4 6394 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 270004a_100000174871_100000212034 [0,1,0,0,0,1|2,0,0]=4 6395 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 270004a_100000701038_100000189385 [0,1,0,0,0,1|2,0,0]=4 6396 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 34a_100000174871_100000756946 [0,1,0,0,0,1|2,0,0]=4 6397 B19R2.11850 CC(CNCc1ccc(cc1)Cl)c2ccccc2 34a_100000701038_100000694040 [0,1,0,0,0,1|2,0,0]=4 6398 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 207a_100000701038_100000210084 [0,1,0,0,0,1|2,0,0]=4 6399 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 2230a_100000174882_100000756946 [0,1,0,0,0,1|2,0,0]=4 6400 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 2230a_100000701038_100000198546 [0,1,0,0,0,1|2,0,0]=4 6401 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 270004a_100000174882_100000212034 [0,1,0,0,0,1|2,0,0]=4 6402 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 270004a_100000701038_100000210084 [0,1,0,0,0,1|2,0,0]=4 6403 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 34a_100000174882_100000756946 [0,1,0,0,0,1|2,0,0]=4 6404 B19R2.11850 CC(CNCc1ccc(cc1)F)c2ccccc2 34a_100000701038_100000198546 [0,1,0,0,0,1|2,0,0]=4 6405 B19R2.11850 CC(CNCc1ccc(cc1)I)c2ccccc2 207a_100000701038_100000188517 [0,1,0,0,0,1|2,0,0]=4 6406 B19R2.11850 CC(CNCc1ccc(cc1)I)c2ccccc2 2230a_100000701038_100000189116 [0,1,0,0,0,1|2,0,0]=4 6407 B19R2.11850 CC(CNCc1ccc(cc1)I)c2ccccc2 2230a_100016989417_100000756946 [0,1,0,0,0,1|2,0,0]=4 6408 B19R2.11850 CC(CNCc1ccc(cc1)I)c2ccccc2 270004a_100016989417_100000212034 [0,1,0,0,0,1|2,0,0]=4 6409 B19R2.11850 CC(CNCc1ccc(cc1)I)c2ccccc2 34a_100000701038_100000189116 [0,1,0,0,0,1|2,0,0]=4 6410 B19R2.11850 CC(CNCc1ccc(cc1)I)c2ccccc2 34a_100016989417_100000756946 [0,1,0,0,0,1|2,0,0]=4 6411 B19R2.11850 CC(CNCc1ccc(cc1)O)c2ccccc2 34a_100000185549_100000756946 [0,1,0,0,0,1|2,0,0]=4 6412 B19R2.11850 CC(CNCc1ccc(cn1)Br)c2ccccc2 207a_100000701038_100000754260 [0,1,0,0,0,1|1,0,0]=3 6413 B19R2.11850 CC(CNCc1ccc(cn1)Br)c2ccccc2 2230a_100000701038_100000702658 [0,1,0,0,0,1|1,0,0]=3 6414 B19R2.11850 CC(CNCc1ccc(cn1)Br)c2ccccc2 270004a_100000701038_100000754260 [0,1,0,0,0,1|1,0,0]=3 6415 B19R2.11850 CC(CNCc1ccc(cn1)Br)c2ccccc2 34a_100000701038_100000702658 [0,1,0,0,0,1|1,0,0]=3 6416 B19R2.11850 CC(CNCc1ccc(cn1)Br)c2ccccc2 34a_100015188789_100000756946 [0,1,0,0,0,1|1,0,0]=3 6417 B19R2.11850 CC(CNCc1ccc(cn1)Cl)c2ccccc2 207a_100000701038_100011361569 [0,1,0,0,0,1|1,0,0]=3 6418 B19R2.11850 CC(CNCc1ccc(cn1)Cl)c2ccccc2 2230a_100000701038_100012066911 [0,1,0,0,0,1|1,0,0]=3 6419 B19R2.11850 CC(CNCc1ccc(cn1)Cl)c2ccccc2 270004a_100000697193_100000212034 [0,1,0,0,0,1|1,0,0]=3 6420 B19R2.11850 CC(CNCc1ccc(cn1)Cl)c2ccccc2 270004a_100000701038_100011361569 [0,1,0,0,0,1|1,0,0]=3 6421 B19R2.11850 CC(CNCc1ccc(cn1)Cl)c2ccccc2 34a_100000697193_100000756946 [0,1,0,0,0,1|1,0,0]=3 6422 B19R2.11850 CC(CNCc1ccc(cn1)Cl)c2ccccc2 34a_100000701038_100012066911 [0,1,0,0,0,1|1,0,0]=3 6423 B19R2.11850 CC(CNCc1ccc(cn1)F)c2ccccc2 207a_100000701038_100011934744 [0,1,0,0,0,1|1,0,0]=3 6424 B19R2.11850 CC(CNCc1ccc(cn1)F)c2ccccc2 2230a_100000701038_100000703193 [0,1,0,0,0,1|1,0,0]=3 6425 B19R2.11850 CC(CNCc1ccc(cn1)F)c2ccccc2 270004a_100000701038_100011934744 [0,1,0,0,0,1|1,0,0]=3 6426 B19R2.11850 CC(CNCc1ccc(cn1)F)c2ccccc2 34a_100000701038_100000703193 [0,1,0,0,0,1|1,0,0]=3 6427 B19R2.11850 CC(CNCc1ccc(cn1)F)c2ccccc2 34a_100020620131_100000756946 [0,1,0,0,0,1|1,0,0]=3 6428 B19R2.11850 CC(CNCc1ccc(nn1)Cl)c2ccccc2 2230a_100000701038_100016992710 [0,1,0,0,0,1|2,0,0]=4 6429 B19R2.11850 CC(CNCc1ccc(nn1)Cl)c2ccccc2 270004a_100000701038_100000044651 [0,1,0,0,0,1|2,0,0]=4 6430 B19R2.11850 CC(CNCc1ccc(nn1)Cl)c2ccccc2 34a_100000701038_100016992710 [0,1,0,0,0,1|2,0,0]=4 6431 B19R2.11850 CC(CNCc1cnc(cn1)Cl)c2ccccc2 270004a_100000701038_100012001714 [0,1,0,0,0,1|2,0,0]=4 6432 B19R2.11850 CC(CNCc1ncc(cn1)Br)c2ccccc2 34a_100000701038_100010064664 [0,1,0,0,0,1|2,0,0]=4 6433 B19R2.11850 CC(COCc1ccc(cn1)Br)c2ccccc2 34a_100000754261_100000756946 [0,1,0,0,0,1|2,0,0]=4 6434 B19R2.11850 CC(COCc1ccc(cn1)Br)c2ccccc2 34a_100011215166_100000702658 [0,1,0,0,0,1|2,0,0]=4 6435 B19R2.11850 CC(COCc1ccc(cn1)Br)c2ccccc2 7a_100011215166_100000702658 [0,1,0,0,0,1|2,0,0]=4 6436 B19R2.11850 CC(COCc1ccc(cn1)Cl)c2ccccc2 34a_100000703999_100000756946 [0,1,0,0,0,1|2,0,0]=4 6437 B19R2.11850 CC(COCc1ccc(cn1)Cl)c2ccccc2 34a_100011215166_100012066911 [0,1,0,0,0,1|2,0,0]=4 6438 B19R2.11850 CC(COCc1ccc(cn1)Cl)c2ccccc2 7a_100011215166_100012066911 [0,1,0,0,0,1|2,0,0]=4 6439 B19R2.11850 CC(COCc1ccc(cn1)F)c2ccccc2 34a_100011215166_100000703193 [0,1,0,0,0,1|2,0,0]=4 6440 B19R2.11850 CC(COCc1ccc(cn1)F)c2ccccc2 34a_100011999454_100000756946 [0,1,0,0,0,1|2,0,0]=4 6441 B19R2.11850 CC(COCc1ccc(cn1)F)c2ccccc2 7a_100011215166_100000703193 [0,1,0,0,0,1|2,0,0]=4 6442 B19R2.11850 CC(COCc1ccc(cn1)N)c2ccccc2 34a_100011998161_100000756946 [0,1,0,0,0,1|2,0,0]=4 6443 B19R2.11850 CC(CSCc1ccc(cn1)Br)c2ccccc2 62a_100000702658_100000756946 [0,1,0,0,0,1|2,0,0]=4 6444 B19R2.11850 CC(CSCc1ccc(cn1)Br)c2ccccc2 62a_100000756946_100000702658 [0,1,0,0,0,1|2,0,0]=4 6445 B19R2.11850 CC(CSCc1ccc(cn1)Cl)c2ccccc2 62a_100000756946_100000697101 [0,1,0,0,0,1|2,0,0]=4 6446 B19R2.11850 CC(CSCc1ccc(cn1)Cl)c2ccccc2 62a_100012066911_100000756946 [0,1,0,0,0,1|2,0,0]=4 6447 B19R2.11850 CC(CSCc1ccc(cn1)F)c2ccccc2 62a_100000703193_100000756946 [0,1,0,0,0,1|2,0,0]=4 6448 B19R2.11850 CC(CSCc1ccc(cn1)F)c2ccccc2 62a_100000756946_100000703193 [0,1,0,0,0,1|2,0,0]=4 6449 B19R2.11850 CC(OCCc1ccc(cn1)Br)c2ccccc2 34a_100012357577_100000211855 [0,1,0,0,0,1|2,0,0]=4 6450 B19R2.11850 CN(CCNc1ccc(cn1)Br)c2ccccc2 27a_100000231046_100000686858 [0,1,0,0,0,1|2,0,0]=4 6451 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 207a_100000701038_100000211033 [0,1,0,0,0,1|2,0,0]=4 6452 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000174908_100000756946 [0,1,0,0,0,1|2,0,0]=4 6453 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 2230a_100000701038_100000210814 [0,1,0,0,0,1|2,0,0]=4 6454 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000174908_100000212034 [0,1,0,0,0,1|2,0,0]=4 6455 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 270004a_100000701038_100000211033 [0,1,0,0,0,1|2,0,0]=4 6456 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000174908_100000756946 [0,1,0,0,0,1|2,0,0]=4 6457 B19R2.11850 Cc1ccc(cc1)CNCC(C)c2ccccc2 34a_100000701038_100000210814 [0,1,0,0,0,1|2,0,0]=4 6458 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 207a_100000210709_100000211033 [0,1,0,0,0,1|1,0,0]=3 6459 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000174908_100000185958 [0,1,0,0,0,1|1,0,0]=3 6460 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 2230a_100000210709_100000210814 [0,1,0,0,0,1|1,0,0]=3 6461 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 270004a_100000210709_100000211033 [0,1,0,0,0,1|1,0,0]=3 6462 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000174908_100000185958 [0,1,0,0,0,1|1,0,0]=3 6463 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccn2 207a_100000691469_100000211033 [0,1,0,0,0,1|2,0,0]=4 6464 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccn2 2230a_100000691469_100000210814 [0,1,0,0,0,1|2,0,0]=4 6465 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2ccccn2 270004a_100000691469_100000211033 [0,1,0,0,0,1|2,0,0]=4 6466 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2cccnc2 207a_100020605170_100000211033 [0,1,0,0,0,1|2,0,0]=4 6467 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2cccnc2 2230a_100020605170_100000210814 [0,1,0,0,0,1|2,0,0]=4 6468 B19R2.11850 Cc1ccc(cc1)CNCC(O)c2cccnc2 270004a_100020605170_100000211033 [0,1,0,0,0,1|2,0,0]=4 6469 B19R2.11850 Cc1ccc(cc1)CNC[C@@H](O)c2ccccc2 2230a_100000174908_100011933945 [0,1,0,0,0,1|1,0,0]=3 6470 B19R2.11850 Cc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000174908_100011933945 [0,1,0,0,0,1|1,0,0]=3 6471 B19R2.11850 Cc1ccc(cc1)COCC(O)c2ccccc2 34a_100011215236_100000185958 [0,1,0,0,0,1|2,0,0]=4 6472 B19R2.11850 Cc1ccc(cc1)COCC(O)c2ccccc2 7a_100011215236_100000185958 [0,1,0,0,0,1|2,0,0]=4 6473 B19R2.11850 Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011215236_100011933945 [0,1,0,0,0,1|2,0,0]=4 6474 B19R2.11850 Cc1ccc(cc1)COC[C@@H](O)c2ccccc2 7a_100011215236_100011933945 [0,1,0,0,0,1|2,0,0]=4 6475 B19R2.11850 Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000185958_100000210814 [0,1,0,0,0,1|2,0,0]=4 6476 B19R2.11850 Cc1ccc(cc1)CSCC(O)c2ccccc2 62a_100000210814_100000185958 [0,1,0,0,0,1|2,0,0]=4 6477 B19R2.11850 Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100000210814_100011933945 [0,1,0,0,0,1|2,0,0]=4 6478 B19R2.11850 Cc1ccc(cc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000210814 [0,1,0,0,0,1|2,0,0]=4 6479 B19R2.11850 Cc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000124888_100000729684 [0,1,0,0,0,1|1,0,0]=3 6480 B19R2.11850 Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000210336_100000729684 [0,1,0,0,0,1|2,0,0]=4 6481 B19R2.11850 Cc1ccc(cc1)OCC[C@@H](O)c2ccccc2 7a_100000210336_100000729684 [0,1,0,0,0,1|2,0,0]=4 6482 B19R2.11850 Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000186775_100000729684 [0,1,0,0,0,1|2,0,0]=4 6483 B19R2.11850 Cc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000186775 [0,1,0,0,0,1|2,0,0]=4 6484 B19R2.11850 Cc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000210709_100016987292 [0,1,0,0,0,1|2,0,0]=4 6485 B19R2.11850 Cc1ccc(cn1)CNCC(O)c2ccccc2 270004a_100000210709_100000743784 [0,1,0,0,0,1|2,0,0]=4 6486 B19R2.11850 Cc1ccc(cn1)CNCC(O)c2ccccc2 34a_100000740942_100000185958 [0,1,0,0,0,1|2,0,0]=4 6487 B19R2.11850 Cc1ccc(cn1)CNC[C@@H](O)c2ccccc2 34a_100000740942_100011933945 [0,1,0,0,0,1|2,0,0]=4 6488 B19R2.11850 Cc1ccc(nc1)CNCC(C)c2ccccc2 207a_100000701038_100000050478 [0,1,0,0,0,1|1,0,0]=3 6489 B19R2.11850 Cc1ccc(nc1)CNCC(C)c2ccccc2 2230a_100000701038_100000691093 [0,1,0,0,0,1|1,0,0]=3 6490 B19R2.11850 Cc1ccc(nc1)CNCC(C)c2ccccc2 270004a_100000701038_100000050478 [0,1,0,0,0,1|1,0,0]=3 6491 B19R2.11850 Cc1ccc(nc1)CNCC(C)c2ccccc2 34a_100000701038_100000691093 [0,1,0,0,0,1|1,0,0]=3 6492 B19R2.11850 Cc1ccc(nc1)CNCC(C)c2ccccc2 34a_100015187455_100000756946 [0,1,0,0,0,1|1,0,0]=3 6493 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccc2 207a_100000210709_100000050478 [0,1,0,0,0,1|0,0,0]=2 6494 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccc2 2230a_100000210709_100000691093 [0,1,0,0,0,1|0,0,0]=2 6495 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccc2 270004a_100000210709_100000050478 [0,1,0,0,0,1|0,0,0]=2 6496 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccc2 34a_100015187455_100000185958 [0,1,0,0,0,1|0,0,0]=2 6497 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccn2 207a_100000691469_100000050478 [0,1,0,0,0,1|1,0,0]=3 6498 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccn2 2230a_100000691469_100000691093 [0,1,0,0,0,1|1,0,0]=3 6499 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2ccccn2 270004a_100000691469_100000050478 [0,1,0,0,0,1|1,0,0]=3 6500 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2cccnc2 207a_100020605170_100000050478 [0,1,0,0,0,1|1,0,0]=3 6501 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2cccnc2 2230a_100020605170_100000691093 [0,1,0,0,0,1|1,0,0]=3 6502 B19R2.11850 Cc1ccc(nc1)CNCC(O)c2cccnc2 270004a_100020605170_100000050478 [0,1,0,0,0,1|1,0,0]=3 6503 B19R2.11850 Cc1ccc(nc1)CNC[C@@H](O)c2ccccc2 34a_100015187455_100011933945 [0,1,0,0,0,1|0,0,0]=2 6504 B19R2.11850 Cc1ccc(nc1)COCC(C)c2ccccc2 34a_100011215166_100000691093 [0,1,0,0,0,1|2,0,0]=4 6505 B19R2.11850 Cc1ccc(nc1)COCC(C)c2ccccc2 34a_100012001401_100000756946 [0,1,0,0,0,1|2,0,0]=4 6506 B19R2.11850 Cc1ccc(nc1)COCC(C)c2ccccc2 7a_100011215166_100000691093 [0,1,0,0,0,1|2,0,0]=4 6507 B19R2.11850 Cc1ccc(nc1)COCC(O)c2ccccc2 34a_100012001401_100000185958 [0,1,0,0,0,1|1,0,0]=3 6508 B19R2.11850 Cc1ccc(nc1)COC[C@@H](N)c2ccccc2 34a_100000751927_100000691093 [0,1,0,0,0,1|2,0,0]=4 6509 B19R2.11850 Cc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_100012001401_100011933945 [0,1,0,0,0,1|1,0,0]=3 6510 B19R2.11850 Cc1ccc(nc1)CSCC(C)c2ccccc2 62a_100000691093_100000756946 [0,1,0,0,0,1|2,0,0]=4 6511 B19R2.11850 Cc1ccc(nc1)CSCC(C)c2ccccc2 62a_100000756946_100000691093 [0,1,0,0,0,1|2,0,0]=4 6512 B19R2.11850 Cc1ccc(nc1)CSCC(O)c2ccccc2 62a_100000185958_100000691093 [0,1,0,0,0,1|1,0,0]=3 6513 B19R2.11850 Cc1ccc(nc1)CSCC(O)c2ccccc2 62a_100000691093_100000185958 [0,1,0,0,0,1|1,0,0]=3 6514 B19R2.11850 Cc1ccc(nc1)CSC[C@@H](O)c2ccccc2 62a_100000691093_100011933945 [0,1,0,0,0,1|1,0,0]=3 6515 B19R2.11850 Cc1ccc(nc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000691093 [0,1,0,0,0,1|1,0,0]=3 6516 B19R2.11850 Cc1ccc(nc1)NN=CC(C)c2ccccc2 4a_100000746693_100000212034 [0,1,0,0,0,1|1,0,1]=4 6517 B19R2.11850 Cc1ccc(nc1)OCC[C@@H](O)c2ccccc2 34a_100000759353_100000729684 [0,1,0,0,0,1|1,0,0]=3 6518 B19R2.11850 Cc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000754016 [0,1,0,0,0,1|1,0,0]=3 6519 B19R2.11850 Cc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100011192072_100000729684 [0,1,0,0,0,1|1,0,0]=3 6520 B19R2.11850 Cc1ccc(nn1)NCCC(O)c2ccccc2 27a_100000763605_100000744512 [0,1,0,0,0,1|1,0,0]=3 6521 B19R2.11850 Cc1ccc(nn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000744512 [0,1,0,0,0,1|2,0,0]=4 6522 B19R2.11850 Cc1ccc(nn1)SCC[C@@H](O)c2ccccc2 62a_100000744512_100000729684 [0,1,0,0,0,1|2,0,0]=4 6523 B19R2.11850 Cc1cnc(cn1)CNCC(C)c2ccccc2 2230a_100000701038_100000752025 [0,1,0,0,0,1|2,0,0]=4 6524 B19R2.11850 Cc1cnc(cn1)CNCC(C)c2ccccc2 270004a_100000701038_100000685221 [0,1,0,0,0,1|2,0,0]=4 6525 B19R2.11850 Cc1cnc(cn1)CNCC(C)c2ccccc2 34a_100132314150_100000756946 [0,1,0,0,0,1|2,0,0]=4 6526 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2ccccc2 2230a_100000210709_100000752025 [0,1,0,0,0,1|1,0,0]=3 6527 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2ccccc2 270004a_100000210709_100000685221 [0,1,0,0,0,1|1,0,0]=3 6528 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2ccccc2 34a_100132314150_100000185958 [0,1,0,0,0,1|1,0,0]=3 6529 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2ccccn2 2230a_100000691469_100000752025 [0,1,0,0,0,1|2,0,0]=4 6530 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2ccccn2 270004a_100000691469_100000685221 [0,1,0,0,0,1|2,0,0]=4 6531 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2cccnc2 2230a_100020605170_100000752025 [0,1,0,0,0,1|2,0,0]=4 6532 B19R2.11850 Cc1cnc(cn1)CNCC(O)c2cccnc2 270004a_100020605170_100000685221 [0,1,0,0,0,1|2,0,0]=4 6533 B19R2.11850 Cc1cnc(cn1)CNC[C@@H](O)c2ccccc2 34a_100132314150_100011933945 [0,1,0,0,0,1|1,0,0]=3 6534 B19R2.11850 Cc1cnc(cn1)COCC(O)c2ccccc2 34a_100011273949_100000185958 [0,1,0,0,0,1|2,0,0]=4 6535 B19R2.11850 Cc1cnc(cn1)COC[C@@H](O)c2ccccc2 34a_100011273949_100011933945 [0,1,0,0,0,1|2,0,0]=4 6536 B19R2.11850 Cc1cnc(cn1)CSCC(O)c2ccccc2 62a_100000185958_100000752025 [0,1,0,0,0,1|2,0,0]=4 6537 B19R2.11850 Cc1cnc(cn1)CSCC(O)c2ccccc2 62a_100000752025_100000185958 [0,1,0,0,0,1|2,0,0]=4 6538 B19R2.11850 Cc1cnc(cn1)CSC[C@@H](O)c2ccccc2 62a_100000752025_100011933945 [0,1,0,0,0,1|2,0,0]=4 6539 B19R2.11850 Cc1cnc(cn1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000752025 [0,1,0,0,0,1|2,0,0]=4 6540 B19R2.11850 Cc1cnc(cn1)NCCC(O)c2ccccc2 27a_100000763605_100000074397 [0,1,0,0,0,1|1,0,0]=3 6541 B19R2.11850 Cc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100011999403 [0,1,0,0,0,1|2,0,0]=4 6542 B19R2.11850 Cc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100011999403_100000729684 [0,1,0,0,0,1|2,0,0]=4 6543 B19R2.11850 Cc1cnc(nc1)CNCC(C)c2ccccc2 2230a_100000701038_100000685645 [0,1,0,0,0,1|2,0,0]=4 6544 B19R2.11850 Cc1cnc(nc1)CNCC(C)c2ccccc2 34a_100000701038_100000685645 [0,1,0,0,0,1|2,0,0]=4 6545 B19R2.11850 Cc1cnc(nc1)CNCC(O)c2ccccc2 2230a_100000210709_100000685645 [0,1,0,0,0,1|1,0,0]=3 6546 B19R2.11850 Cc1cnc(nc1)CNCC(O)c2ccccn2 2230a_100000691469_100000685645 [0,1,0,0,0,1|2,0,0]=4 6547 B19R2.11850 Cc1cnc(nc1)CNCC(O)c2cccnc2 2230a_100020605170_100000685645 [0,1,0,0,0,1|2,0,0]=4 6548 B19R2.11850 Cc1cnc(nc1)CSCC(O)c2ccccc2 62a_100000185958_100000685645 [0,1,0,0,0,1|2,0,0]=4 6549 B19R2.11850 Cc1cnc(nc1)CSCC(O)c2ccccc2 62a_100000685645_100000185958 [0,1,0,0,0,1|2,0,0]=4 6550 B19R2.11850 Cc1cnc(nc1)CSC[C@@H](O)c2ccccc2 62a_100000685645_100011933945 [0,1,0,0,0,1|2,0,0]=4 6551 B19R2.11850 Cc1cnc(nc1)CSC[C@@H](O)c2ccccc2 62a_100011933945_100000685645 [0,1,0,0,0,1|2,0,0]=4 6552 B19R2.11850 Cc1cnc(nc1)NCCC(O)c2ccccc2 27a_100000763605_100000061069 [0,1,0,0,0,1|1,0,0]=3 6553 B19R2.11850 Cc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000061069_100000729684 [0,1,0,0,0,1|2,0,0]=4 6554 B19R2.11850 Cc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000061069 [0,1,0,0,0,1|2,0,0]=4 6555 B19R2.11850 N[C@H](COCc1ccc(cn1)Br)c2ccccc2 34a_100000751927_100000702658 [0,1,0,0,0,1|2,0,0]=4 6556 B19R2.11850 N[C@H](COCc1ccc(cn1)Cl)c2ccccc2 34a_100000751927_100012066911 [0,1,0,0,0,1|2,0,0]=4 6557 B19R2.11850 N[C@H](COCc1ccc(cn1)F)c2ccccc2 34a_100000751927_100000703193 [0,1,0,0,0,1|2,0,0]=4 6558 B19R2.11850 Nc1ccc(cc1)COCC(O)c2ccccc2 34a_100011215238_100000185958 [0,1,0,0,0,1|2,0,0]=4 6559 B19R2.11850 Nc1ccc(cc1)COC[C@@H](O)c2ccccc2 34a_100011215238_100011933945 [0,1,0,0,0,1|2,0,0]=4 6560 B19R2.11850 Nc1ccc(cc1)OCC[C@@H](O)c2ccccc2 34a_100000185829_100000729684 [0,1,0,0,0,1|2,0,0]=4 6561 B19R2.11850 Nc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000185761_100000729684 [0,1,0,0,0,1|2,0,0]=4 6562 B19R2.11850 Nc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000185761 [0,1,0,0,0,1|2,0,0]=4 6563 B19R2.11850 Nc1ccc(nc1)COCC(O)c2ccccc2 34a_100011998161_100000185958 [0,1,0,0,0,1|1,0,0]=3 6564 B19R2.11850 Nc1ccc(nc1)COC[C@@H](O)c2ccccc2 34a_100011998161_100011933945 [0,1,0,0,0,1|1,0,0]=3 6565 B19R2.11850 Nc1ccc(nc1)OCC[C@@H](O)c2ccccc2 34a_100000729260_100000729684 [0,1,0,0,0,1|1,0,0]=3 6566 B19R2.11850 Nc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000737798 [0,1,0,0,0,1|1,0,0]=3 6567 B19R2.11850 Nc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000737798_100000729684 [0,1,0,0,0,1|1,0,0]=3 6568 B19R2.11850 Nc1ccc(nn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100010219413 [0,1,0,0,0,1|2,0,0]=4 6569 B19R2.11850 Nc1ccc(nn1)SCC[C@@H](O)c2ccccc2 62a_100010219413_100000729684 [0,1,0,0,0,1|2,0,0]=4 6570 B19R2.11850 Nc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000744751 [0,1,0,0,0,1|2,0,0]=4 6571 B19R2.11850 Nc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000744751_100000729684 [0,1,0,0,0,1|2,0,0]=4 6572 B19R2.11850 Nc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000068403_100000729684 [0,1,0,0,0,1|2,0,0]=4 6573 B19R2.11850 Nc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000068403 [0,1,0,0,0,1|2,0,0]=4 6574 B19R2.11850 Nc1ncc(nn1)NCCC(O)c2ccccc2 27a_100000763605_100000691435 [0,1,0,0,0,1|2,0,0]=4 6575 B19R2.11850 O=c1ccc(n[nH]1)CNCC(O)c2ccccc2 207a_100000210709_100011361533 [0,1,0,0,0,1|1,0,0]=3 6576 B19R2.11850 O=c1ccc(n[nH]1)CNCC(O)c2ccccc2 270004a_100000210709_100011361533 [0,1,0,0,0,1|1,0,0]=3 6577 B19R2.11850 O=c1ccc(n[nH]1)CNCC(O)c2ccccn2 207a_100000691469_100011361533 [0,1,0,0,0,1|2,0,0]=4 6578 B19R2.11850 O=c1ccc(n[nH]1)CNCC(O)c2ccccn2 270004a_100000691469_100011361533 [0,1,0,0,0,1|2,0,0]=4 6579 B19R2.11850 O=c1ccc(n[nH]1)CNCC(O)c2cccnc2 207a_100020605170_100011361533 [0,1,0,0,0,1|2,0,0]=4 6580 B19R2.11850 O=c1ccc(n[nH]1)CNCC(O)c2cccnc2 270004a_100020605170_100011361533 [0,1,0,0,0,1|2,0,0]=4 6581 B19R2.11850 O=c1ccc(n[nH]1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100009820020 [0,1,0,0,0,1|2,0,0]=4 6582 B19R2.11850 O=c1ccc(n[nH]1)SCC[C@@H](O)c2ccccc2 62a_100009820020_100000729684 [0,1,0,0,0,1|2,0,0]=4 6583 B19R2.11850 OC(CCNc1ccc(cn1)Br)c2ccccc2 27a_100000763605_100000686858 [0,1,0,0,0,1|0,0,0]=2 6584 B19R2.11850 OC(CCNc1cnc(cn1)Br)c2ccccc2 27a_100000763605_100010187541 [0,1,0,0,0,1|1,0,0]=3 6585 B19R2.11850 OC(CCNc1cnc(cn1)F)c2ccccc2 27a_100000763605_100009856528 [0,1,0,0,0,1|1,0,0]=3 6586 B19R2.11850 OC(CCNc1ncc(cn1)Br)c2ccccc2 27a_100000763605_100000690281 [0,1,0,0,0,1|1,0,0]=3 6587 B19R2.11850 OC(CCNc1ncc(cn1)Cl)c2ccccc2 27a_100000763605_100011356929 [0,1,0,0,0,1|1,0,0]=3 6588 B19R2.11850 OC(CCNc1ncc(cn1)F)c2ccccc2 27a_100000763605_100000685220 [0,1,0,0,0,1|1,0,0]=3 6589 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccc2 207a_100000210709_100000186029 [0,1,0,0,0,1|1,0,0]=3 6590 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccc2 2230a_100000174875_100000185958 [0,1,0,0,0,1|1,0,0]=3 6591 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccc2 2230a_100000210709_100011217064 [0,1,0,0,0,1|1,0,0]=3 6592 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccc2 270004a_100000210709_100000186029 [0,1,0,0,0,1|1,0,0]=3 6593 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccc2 34a_100000174875_100000185958 [0,1,0,0,0,1|1,0,0]=3 6594 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccn2 207a_100000691469_100000186029 [0,1,0,0,0,1|2,0,0]=4 6595 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccn2 2230a_100000691469_100011217064 [0,1,0,0,0,1|2,0,0]=4 6596 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2ccccn2 270004a_100000691469_100000186029 [0,1,0,0,0,1|2,0,0]=4 6597 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2cccnc2 207a_100020605170_100000186029 [0,1,0,0,0,1|2,0,0]=4 6598 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2cccnc2 2230a_100020605170_100011217064 [0,1,0,0,0,1|2,0,0]=4 6599 B19R2.11850 OC(CNCc1ccc(cc1)Br)c2cccnc2 270004a_100020605170_100000186029 [0,1,0,0,0,1|2,0,0]=4 6600 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccc2 207a_100000210709_100000189385 [0,1,0,0,0,1|1,0,0]=3 6601 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccc2 2230a_100000174871_100000185958 [0,1,0,0,0,1|1,0,0]=3 6602 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccc2 2230a_100000210709_100000694040 [0,1,0,0,0,1|1,0,0]=3 6603 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccc2 270004a_100000210709_100000189385 [0,1,0,0,0,1|1,0,0]=3 6604 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccc2 34a_100000174871_100000185958 [0,1,0,0,0,1|1,0,0]=3 6605 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccn2 207a_100000691469_100000189385 [0,1,0,0,0,1|2,0,0]=4 6606 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccn2 2230a_100000691469_100000694040 [0,1,0,0,0,1|2,0,0]=4 6607 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2ccccn2 270004a_100000691469_100000189385 [0,1,0,0,0,1|2,0,0]=4 6608 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2cccnc2 207a_100020605170_100000189385 [0,1,0,0,0,1|2,0,0]=4 6609 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2cccnc2 2230a_100020605170_100000694040 [0,1,0,0,0,1|2,0,0]=4 6610 B19R2.11850 OC(CNCc1ccc(cc1)Cl)c2cccnc2 270004a_100020605170_100000189385 [0,1,0,0,0,1|2,0,0]=4 6611 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccc2 207a_100000210709_100000210084 [0,1,0,0,0,1|1,0,0]=3 6612 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccc2 2230a_100000174882_100000185958 [0,1,0,0,0,1|1,0,0]=3 6613 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccc2 2230a_100000210709_100000198546 [0,1,0,0,0,1|1,0,0]=3 6614 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccc2 270004a_100000210709_100000210084 [0,1,0,0,0,1|1,0,0]=3 6615 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccc2 34a_100000174882_100000185958 [0,1,0,0,0,1|1,0,0]=3 6616 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccn2 207a_100000691469_100000210084 [0,1,0,0,0,1|2,0,0]=4 6617 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccn2 2230a_100000691469_100000198546 [0,1,0,0,0,1|2,0,0]=4 6618 B19R2.11850 OC(CNCc1ccc(cc1)F)c2ccccn2 270004a_100000691469_100000210084 [0,1,0,0,0,1|2,0,0]=4 6619 B19R2.11850 OC(CNCc1ccc(cc1)F)c2cccnc2 207a_100020605170_100000210084 [0,1,0,0,0,1|2,0,0]=4 6620 B19R2.11850 OC(CNCc1ccc(cc1)F)c2cccnc2 2230a_100020605170_100000198546 [0,1,0,0,0,1|2,0,0]=4 6621 B19R2.11850 OC(CNCc1ccc(cc1)F)c2cccnc2 270004a_100020605170_100000210084 [0,1,0,0,0,1|2,0,0]=4 6622 B19R2.11850 OC(CNCc1ccc(cc1)I)c2ccccc2 207a_100000210709_100000188517 [0,1,0,0,0,1|1,0,0]=3 6623 B19R2.11850 OC(CNCc1ccc(cc1)I)c2ccccc2 2230a_100000210709_100000189116 [0,1,0,0,0,1|1,0,0]=3 6624 B19R2.11850 OC(CNCc1ccc(cc1)I)c2ccccc2 2230a_100016989417_100000185958 [0,1,0,0,0,1|1,0,0]=3 6625 B19R2.11850 OC(CNCc1ccc(cc1)I)c2ccccc2 34a_100016989417_100000185958 [0,1,0,0,0,1|1,0,0]=3 6626 B19R2.11850 OC(CNCc1ccc(cc1)I)c2ccccn2 207a_100000691469_100000188517 [0,1,0,0,0,1|2,0,0]=4 6627 B19R2.11850 OC(CNCc1ccc(cc1)I)c2ccccn2 2230a_100000691469_100000189116 [0,1,0,0,0,1|2,0,0]=4 6628 B19R2.11850 OC(CNCc1ccc(cc1)I)c2cccnc2 207a_100020605170_100000188517 [0,1,0,0,0,1|2,0,0]=4 6629 B19R2.11850 OC(CNCc1ccc(cc1)I)c2cccnc2 2230a_100020605170_100000189116 [0,1,0,0,0,1|2,0,0]=4 6630 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccc2 207a_100000210709_100000754260 [0,1,0,0,0,1|0,0,0]=2 6631 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccc2 2230a_100000210709_100000702658 [0,1,0,0,0,1|0,0,0]=2 6632 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccc2 270004a_100000210709_100000754260 [0,1,0,0,0,1|0,0,0]=2 6633 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccc2 34a_100015188789_100000185958 [0,1,0,0,0,1|0,0,0]=2 6634 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccn2 207a_100000691469_100000754260 [0,1,0,0,0,1|1,0,0]=3 6635 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccn2 2230a_100000691469_100000702658 [0,1,0,0,0,1|1,0,0]=3 6636 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2ccccn2 270004a_100000691469_100000754260 [0,1,0,0,0,1|1,0,0]=3 6637 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2cccnc2 207a_100020605170_100000754260 [0,1,0,0,0,1|1,0,0]=3 6638 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2cccnc2 2230a_100020605170_100000702658 [0,1,0,0,0,1|1,0,0]=3 6639 B19R2.11850 OC(CNCc1ccc(cn1)Br)c2cccnc2 270004a_100020605170_100000754260 [0,1,0,0,0,1|1,0,0]=3 6640 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccc2 207a_100000210709_100011361569 [0,1,0,0,0,1|0,0,0]=2 6641 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccc2 2230a_100000210709_100012066911 [0,1,0,0,0,1|0,0,0]=2 6642 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccc2 270004a_100000210709_100011361569 [0,1,0,0,0,1|0,0,0]=2 6643 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccc2 34a_100000697193_100000185958 [0,1,0,0,0,1|0,0,0]=2 6644 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccn2 207a_100000691469_100011361569 [0,1,0,0,0,1|1,0,0]=3 6645 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccn2 2230a_100000691469_100012066911 [0,1,0,0,0,1|1,0,0]=3 6646 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2ccccn2 270004a_100000691469_100011361569 [0,1,0,0,0,1|1,0,0]=3 6647 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2cccnc2 207a_100020605170_100011361569 [0,1,0,0,0,1|1,0,0]=3 6648 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2cccnc2 2230a_100020605170_100012066911 [0,1,0,0,0,1|1,0,0]=3 6649 B19R2.11850 OC(CNCc1ccc(cn1)Cl)c2cccnc2 270004a_100020605170_100011361569 [0,1,0,0,0,1|1,0,0]=3 6650 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccc2 207a_100000210709_100011934744 [0,1,0,0,0,1|0,0,0]=2 6651 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccc2 2230a_100000210709_100000703193 [0,1,0,0,0,1|0,0,0]=2 6652 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccc2 270004a_100000210709_100011934744 [0,1,0,0,0,1|0,0,0]=2 6653 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccc2 34a_100020620131_100000185958 [0,1,0,0,0,1|0,0,0]=2 6654 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccn2 207a_100000691469_100011934744 [0,1,0,0,0,1|1,0,0]=3 6655 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccn2 2230a_100000691469_100000703193 [0,1,0,0,0,1|1,0,0]=3 6656 B19R2.11850 OC(CNCc1ccc(cn1)F)c2ccccn2 270004a_100000691469_100011934744 [0,1,0,0,0,1|1,0,0]=3 6657 B19R2.11850 OC(CNCc1ccc(cn1)F)c2cccnc2 207a_100020605170_100011934744 [0,1,0,0,0,1|1,0,0]=3 6658 B19R2.11850 OC(CNCc1ccc(cn1)F)c2cccnc2 2230a_100020605170_100000703193 [0,1,0,0,0,1|1,0,0]=3 6659 B19R2.11850 OC(CNCc1ccc(cn1)F)c2cccnc2 270004a_100020605170_100011934744 [0,1,0,0,0,1|1,0,0]=3 6660 B19R2.11850 OC(CNCc1ccc(nc1)Br)c2ccccc2 2230a_100000210709_100009831999 [0,1,0,0,0,1|2,0,0]=4 6661 B19R2.11850 OC(CNCc1ccc(nc1)Br)c2ccccc2 2230a_100009817727_100000185958 [0,1,0,0,0,1|2,0,0]=4 6662 B19R2.11850 OC(CNCc1ccc(nc1)Br)c2ccccc2 34a_100009817727_100000185958 [0,1,0,0,0,1|2,0,0]=4 6663 B19R2.11850 OC(CNCc1ccc(nc1)Cl)c2ccccc2 2230a_100000210709_100000735431 [0,1,0,0,0,1|2,0,0]=4 6664 B19R2.11850 OC(CNCc1ccc(nc1)Cl)c2ccccc2 2230a_100000735879_100000185958 [0,1,0,0,0,1|2,0,0]=4 6665 B19R2.11850 OC(CNCc1ccc(nc1)Cl)c2ccccc2 34a_100000735879_100000185958 [0,1,0,0,0,1|2,0,0]=4 6666 B19R2.11850 OC(CNCc1ccc(nc1)F)c2ccccc2 2230a_100000101913_100000185958 [0,1,0,0,0,1|2,0,0]=4 6667 B19R2.11850 OC(CNCc1ccc(nc1)F)c2ccccc2 2230a_100000210709_100009820150 [0,1,0,0,0,1|2,0,0]=4 6668 B19R2.11850 OC(CNCc1ccc(nc1)F)c2ccccc2 34a_100000101913_100000185958 [0,1,0,0,0,1|2,0,0]=4 6669 B19R2.11850 OC(CNCc1ccc(nn1)Cl)c2ccccc2 2230a_100000210709_100016992710 [0,1,0,0,0,1|1,0,0]=3 6670 B19R2.11850 OC(CNCc1ccc(nn1)Cl)c2ccccc2 270004a_100000210709_100000044651 [0,1,0,0,0,1|1,0,0]=3 6671 B19R2.11850 OC(CNCc1ccc(nn1)Cl)c2ccccn2 2230a_100000691469_100016992710 [0,1,0,0,0,1|2,0,0]=4 6672 B19R2.11850 OC(CNCc1ccc(nn1)Cl)c2ccccn2 270004a_100000691469_100000044651 [0,1,0,0,0,1|2,0,0]=4 6673 B19R2.11850 OC(CNCc1ccc(nn1)Cl)c2cccnc2 2230a_100020605170_100016992710 [0,1,0,0,0,1|2,0,0]=4 6674 B19R2.11850 OC(CNCc1ccc(nn1)Cl)c2cccnc2 270004a_100020605170_100000044651 [0,1,0,0,0,1|2,0,0]=4 6675 B19R2.11850 OC(CNCc1cnc(cn1)Cl)c2ccccc2 270004a_100000210709_100012001714 [0,1,0,0,0,1|1,0,0]=3 6676 B19R2.11850 OC(CNCc1cnc(cn1)Cl)c2ccccn2 270004a_100000691469_100012001714 [0,1,0,0,0,1|2,0,0]=4 6677 B19R2.11850 OC(CNCc1cnc(cn1)Cl)c2cccnc2 270004a_100020605170_100012001714 [0,1,0,0,0,1|2,0,0]=4 6678 B19R2.11850 OC(COCc1ccc(cc1)Br)c2ccccc2 34a_100000695286_100000185958 [0,1,0,0,0,1|2,0,0]=4 6679 B19R2.11850 OC(COCc1ccc(cc1)Cl)c2ccccc2 34a_100000211118_100000185958 [0,1,0,0,0,1|2,0,0]=4 6680 B19R2.11850 OC(COCc1ccc(cc1)Cl)c2ccccc2 7a_100000211118_100000185958 [0,1,0,0,0,1|2,0,0]=4 6681 B19R2.11850 OC(COCc1ccc(cc1)F)c2ccccc2 34a_100000210977_100000185958 [0,1,0,0,0,1|2,0,0]=4 6682 B19R2.11850 OC(COCc1ccc(cc1)F)c2ccccc2 7a_100000210977_100000185958 [0,1,0,0,0,1|2,0,0]=4 6683 B19R2.11850 OC(COCc1ccc(cc1)I)c2ccccc2 34a_100000690907_100000185958 [0,1,0,0,0,1|2,0,0]=4 6684 B19R2.11850 OC(COCc1ccc(cc1)I)c2ccccc2 7a_100000690907_100000185958 [0,1,0,0,0,1|2,0,0]=4 6685 B19R2.11850 OC(COCc1ccc(cn1)Br)c2ccccc2 34a_100000754261_100000185958 [0,1,0,0,0,1|1,0,0]=3 6686 B19R2.11850 OC(COCc1ccc(cn1)Cl)c2ccccc2 34a_100000703999_100000185958 [0,1,0,0,0,1|1,0,0]=3 6687 B19R2.11850 OC(COCc1ccc(cn1)F)c2ccccc2 34a_100011999454_100000185958 [0,1,0,0,0,1|1,0,0]=3 6688 B19R2.11850 OC(COCc1cnc(cn1)Cl)c2ccccc2 34a_100012002382_100000185958 [0,1,0,0,0,1|2,0,0]=4 6689 B19R2.11850 OC(CSCc1ccc(cc1)Br)c2ccccc2 62a_100000185958_100000189115 [0,1,0,0,0,1|2,0,0]=4 6690 B19R2.11850 OC(CSCc1ccc(cc1)Br)c2ccccc2 62a_100000189115_100000185958 [0,1,0,0,0,1|2,0,0]=4 6691 B19R2.11850 OC(CSCc1ccc(cc1)Cl)c2ccccc2 62a_100000185958_100000187161 [0,1,0,0,0,1|2,0,0]=4 6692 B19R2.11850 OC(CSCc1ccc(cc1)Cl)c2ccccc2 62a_100000187161_100000185958 [0,1,0,0,0,1|2,0,0]=4 6693 B19R2.11850 OC(CSCc1ccc(cc1)F)c2ccccc2 62a_100000185958_100000187164 [0,1,0,0,0,1|2,0,0]=4 6694 B19R2.11850 OC(CSCc1ccc(cc1)F)c2ccccc2 62a_100000198546_100000185958 [0,1,0,0,0,1|2,0,0]=4 6695 B19R2.11850 OC(CSCc1ccc(cc1)I)c2ccccc2 62a_100000185958_100000189116 [0,1,0,0,0,1|2,0,0]=4 6696 B19R2.11850 OC(CSCc1ccc(cc1)I)c2ccccc2 62a_100000189116_100000185958 [0,1,0,0,0,1|2,0,0]=4 6697 B19R2.11850 OC(CSCc1ccc(cn1)Br)c2ccccc2 62a_100000185958_100000702658 [0,1,0,0,0,1|1,0,0]=3 6698 B19R2.11850 OC(CSCc1ccc(cn1)Br)c2ccccc2 62a_100000702658_100000185958 [0,1,0,0,0,1|1,0,0]=3 6699 B19R2.11850 OC(CSCc1ccc(cn1)Cl)c2ccccc2 62a_100000185958_100000697101 [0,1,0,0,0,1|1,0,0]=3 6700 B19R2.11850 OC(CSCc1ccc(cn1)Cl)c2ccccc2 62a_100012066911_100000185958 [0,1,0,0,0,1|1,0,0]=3 6701 B19R2.11850 OC(CSCc1ccc(cn1)F)c2ccccc2 62a_100000185958_100000703193 [0,1,0,0,0,1|1,0,0]=3 6702 B19R2.11850 OC(CSCc1ccc(cn1)F)c2ccccc2 62a_100000703193_100000185958 [0,1,0,0,0,1|1,0,0]=3 6703 B19R2.11850 OC(CSCc1ccc(nn1)Cl)c2ccccc2 62a_100000185958_100016992710 [0,1,0,0,0,1|2,0,0]=4 6704 B19R2.11850 OC(CSCc1ccc(nn1)Cl)c2ccccc2 62a_100016992710_100000185958 [0,1,0,0,0,1|2,0,0]=4 6705 B19R2.11850 OC(CSCc1ncc(cn1)Br)c2ccccc2 62a_100000185958_100010064664 [0,1,0,0,0,1|2,0,0]=4 6706 B19R2.11850 OC(CSCc1ncc(cn1)Br)c2ccccc2 62a_100010064664_100000185958 [0,1,0,0,0,1|2,0,0]=4 6707 B19R2.11850 O[C@H](CCNc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000729684 [0,1,0,0,0,1|1,0,0]=3 6708 B19R2.11850 O[C@H](CCNc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000729684 [0,1,0,0,0,1|1,0,0]=3 6709 B19R2.11850 O[C@H](CCNc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000729684 [0,1,0,0,0,1|1,0,0]=3 6710 B19R2.11850 O[C@H](CCNc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000729684 [0,1,0,0,0,1|1,0,0]=3 6711 B19R2.11850 O[C@H](CCNc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000729684 [0,1,0,0,0,1|1,0,0]=3 6712 B19R2.11850 O[C@H](CCNc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000729684 [0,1,0,0,0,1|1,0,0]=3 6713 B19R2.11850 O[C@H](CCOc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100000729684 [0,1,0,0,0,1|2,0,0]=4 6714 B19R2.11850 O[C@H](CCOc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000729684 [0,1,0,0,0,1|2,0,0]=4 6715 B19R2.11850 O[C@H](CCOc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100000729684 [0,1,0,0,0,1|2,0,0]=4 6716 B19R2.11850 O[C@H](CCOc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000729684 [0,1,0,0,0,1|2,0,0]=4 6717 B19R2.11850 O[C@H](CCOc1ccc(cc1)F)c2ccccc2 34a_100000210339_100000729684 [0,1,0,0,0,1|2,0,0]=4 6718 B19R2.11850 O[C@H](CCOc1ccc(cc1)I)c2ccccc2 34a_100000212066_100000729684 [0,1,0,0,0,1|2,0,0]=4 6719 B19R2.11850 O[C@H](CCOc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000729684 [0,1,0,0,0,1|2,0,0]=4 6720 B19R2.11850 O[C@H](CCOc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100000729684 [0,1,0,0,0,1|1,0,0]=3 6721 B19R2.11850 O[C@H](CCOc1ccc(cn1)F)c2ccccc2 34a_100000742473_100000729684 [0,1,0,0,0,1|1,0,0]=3 6722 B19R2.11850 O[C@H](CCOc1cnc(cn1)Br)c2ccccc2 34a_100011934580_100000729684 [0,1,0,0,0,1|2,0,0]=4 6723 B19R2.11850 O[C@H](CCOc1cnc(cn1)Cl)c2ccccc2 34a_100015839800_100000729684 [0,1,0,0,0,1|2,0,0]=4 6724 B19R2.11850 O[C@H](CCOc1ncc(cn1)F)c2ccccc2 34a_100011934040_100000729684 [0,1,0,0,0,1|2,0,0]=4 6725 B19R2.11850 O[C@H](CCSc1ccc(cc1)Br)c2ccccc2 62a_100000729684_100000752885 [0,1,0,0,0,1|2,0,0]=4 6726 B19R2.11850 O[C@H](CCSc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100000729684 [0,1,0,0,0,1|2,0,0]=4 6727 B19R2.11850 O[C@H](CCSc1ccc(cc1)Cl)c2ccccc2 62a_100000729684_100000755918 [0,1,0,0,0,1|2,0,0]=4 6728 B19R2.11850 O[C@H](CCSc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100000729684 [0,1,0,0,0,1|2,0,0]=4 6729 B19R2.11850 O[C@H](CCSc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000729684 [0,1,0,0,0,1|2,0,0]=4 6730 B19R2.11850 O[C@H](CCSc1ccc(cc1)F)c2ccccc2 62a_100000729684_100000211213 [0,1,0,0,0,1|2,0,0]=4 6731 B19R2.11850 O[C@H](CCSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000729684 [0,1,0,0,0,1|1,0,0]=3 6732 B19R2.11850 O[C@H](CCSc1ccc(cn1)Br)c2ccccc2 62a_100000729684_100000686858 [0,1,0,0,0,1|1,0,0]=3 6733 B19R2.11850 O[C@H](CCSc1ccc(cn1)Cl)c2ccccc2 62a_100000729684_100011356976 [0,1,0,0,0,1|1,0,0]=3 6734 B19R2.11850 O[C@H](CCSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000729684 [0,1,0,0,0,1|1,0,0]=3 6735 B19R2.11850 O[C@H](CCSc1ccc(cn1)F)c2ccccc2 62a_100000729684_100000744514 [0,1,0,0,0,1|1,0,0]=3 6736 B19R2.11850 O[C@H](CCSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000729684 [0,1,0,0,0,1|1,0,0]=3 6737 B19R2.11850 O[C@H](CCSc1ccc(nn1)Cl)c2ccccc2 62a_100000068654_100000729684 [0,1,0,0,0,1|2,0,0]=4 6738 B19R2.11850 O[C@H](CCSc1ccc(nn1)Cl)c2ccccc2 62a_100000729684_100000068654 [0,1,0,0,0,1|2,0,0]=4 6739 B19R2.11850 O[C@H](CCSc1cnc(cn1)Br)c2ccccc2 62a_100000729684_100010187541 [0,1,0,0,0,1|2,0,0]=4 6740 B19R2.11850 O[C@H](CCSc1cnc(cn1)Br)c2ccccc2 62a_100010187541_100000729684 [0,1,0,0,0,1|2,0,0]=4 6741 B19R2.11850 O[C@H](CCSc1cnc(cn1)Cl)c2ccccc2 62a_100000729684_100010214907 [0,1,0,0,0,1|2,0,0]=4 6742 B19R2.11850 O[C@H](CCSc1cnc(cn1)Cl)c2ccccc2 62a_100010214907_100000729684 [0,1,0,0,0,1|2,0,0]=4 6743 B19R2.11850 O[C@H](CCSc1cnc(cn1)F)c2ccccc2 62a_100000729684_100009856528 [0,1,0,0,0,1|2,0,0]=4 6744 B19R2.11850 O[C@H](CCSc1cnc(cn1)F)c2ccccc2 62a_100009856528_100000729684 [0,1,0,0,0,1|2,0,0]=4 6745 B19R2.11850 O[C@H](CCSc1ncc(cn1)Br)c2ccccc2 62a_100000690281_100000729684 [0,1,0,0,0,1|2,0,0]=4 6746 B19R2.11850 O[C@H](CCSc1ncc(cn1)Br)c2ccccc2 62a_100000729684_100000690281 [0,1,0,0,0,1|2,0,0]=4 6747 B19R2.11850 O[C@H](CCSc1ncc(cn1)Cl)c2ccccc2 62a_100000729684_100011356929 [0,1,0,0,0,1|2,0,0]=4 6748 B19R2.11850 O[C@H](CCSc1ncc(cn1)Cl)c2ccccc2 62a_100011356929_100000729684 [0,1,0,0,0,1|2,0,0]=4 6749 B19R2.11850 O[C@H](CCSc1ncc(cn1)F)c2ccccc2 62a_100000685220_100000729684 [0,1,0,0,0,1|2,0,0]=4 6750 B19R2.11850 O[C@H](CCSc1ncc(cn1)F)c2ccccc2 62a_100000729684_100000685220 [0,1,0,0,0,1|2,0,0]=4 6751 B19R2.11850 O[C@H](CNCc1ccc(cc1)Br)c2ccccc2 2230a_100000174875_100011933945 [0,1,0,0,0,1|1,0,0]=3 6752 B19R2.11850 O[C@H](CNCc1ccc(cc1)Br)c2ccccc2 34a_100000174875_100011933945 [0,1,0,0,0,1|1,0,0]=3 6753 B19R2.11850 O[C@H](CNCc1ccc(cc1)Cl)c2ccccc2 2230a_100000174871_100011933945 [0,1,0,0,0,1|1,0,0]=3 6754 B19R2.11850 O[C@H](CNCc1ccc(cc1)Cl)c2ccccc2 34a_100000174871_100011933945 [0,1,0,0,0,1|1,0,0]=3 6755 B19R2.11850 O[C@H](CNCc1ccc(cc1)F)c2ccccc2 2230a_100000174882_100011933945 [0,1,0,0,0,1|1,0,0]=3 6756 B19R2.11850 O[C@H](CNCc1ccc(cc1)F)c2ccccc2 34a_100000174882_100011933945 [0,1,0,0,0,1|1,0,0]=3 6757 B19R2.11850 O[C@H](CNCc1ccc(cc1)I)c2ccccc2 2230a_100016989417_100011933945 [0,1,0,0,0,1|1,0,0]=3 6758 B19R2.11850 O[C@H](CNCc1ccc(cc1)I)c2ccccc2 34a_100016989417_100011933945 [0,1,0,0,0,1|1,0,0]=3 6759 B19R2.11850 O[C@H](CNCc1ccc(cn1)Br)c2ccccc2 34a_100015188789_100011933945 [0,1,0,0,0,1|0,0,0]=2 6760 B19R2.11850 O[C@H](CNCc1ccc(cn1)Cl)c2ccccc2 34a_100000697193_100011933945 [0,1,0,0,0,1|0,0,0]=2 6761 B19R2.11850 O[C@H](CNCc1ccc(cn1)F)c2ccccc2 34a_100020620131_100011933945 [0,1,0,0,0,1|0,0,0]=2 6762 B19R2.11850 O[C@H](CNCc1ccc(nc1)Br)c2ccccc2 2230a_100009817727_100011933945 [0,1,0,0,0,1|2,0,0]=4 6763 B19R2.11850 O[C@H](CNCc1ccc(nc1)Br)c2ccccc2 34a_100009817727_100011933945 [0,1,0,0,0,1|2,0,0]=4 6764 B19R2.11850 O[C@H](CNCc1ccc(nc1)Cl)c2ccccc2 2230a_100000735879_100011933945 [0,1,0,0,0,1|2,0,0]=4 6765 B19R2.11850 O[C@H](CNCc1ccc(nc1)Cl)c2ccccc2 34a_100000735879_100011933945 [0,1,0,0,0,1|2,0,0]=4 6766 B19R2.11850 O[C@H](CNCc1ccc(nc1)F)c2ccccc2 2230a_100000101913_100011933945 [0,1,0,0,0,1|2,0,0]=4 6767 B19R2.11850 O[C@H](CNCc1ccc(nc1)F)c2ccccc2 34a_100000101913_100011933945 [0,1,0,0,0,1|2,0,0]=4 6768 B19R2.11850 O[C@H](COCc1ccc(cc1)Br)c2ccccc2 34a_100000695286_100011933945 [0,1,0,0,0,1|2,0,0]=4 6769 B19R2.11850 O[C@H](COCc1ccc(cc1)Cl)c2ccccc2 34a_100000211118_100011933945 [0,1,0,0,0,1|2,0,0]=4 6770 B19R2.11850 O[C@H](COCc1ccc(cc1)Cl)c2ccccc2 7a_100000211118_100011933945 [0,1,0,0,0,1|2,0,0]=4 6771 B19R2.11850 O[C@H](COCc1ccc(cc1)F)c2ccccc2 34a_100000210977_100011933945 [0,1,0,0,0,1|2,0,0]=4 6772 B19R2.11850 O[C@H](COCc1ccc(cc1)F)c2ccccc2 7a_100000210977_100011933945 [0,1,0,0,0,1|2,0,0]=4 6773 B19R2.11850 O[C@H](COCc1ccc(cc1)I)c2ccccc2 34a_100000690907_100011933945 [0,1,0,0,0,1|2,0,0]=4 6774 B19R2.11850 O[C@H](COCc1ccc(cc1)I)c2ccccc2 7a_100000690907_100011933945 [0,1,0,0,0,1|2,0,0]=4 6775 B19R2.11850 O[C@H](COCc1ccc(cn1)Br)c2ccccc2 34a_100000754261_100011933945 [0,1,0,0,0,1|1,0,0]=3 6776 B19R2.11850 O[C@H](COCc1ccc(cn1)Cl)c2ccccc2 34a_100000703999_100011933945 [0,1,0,0,0,1|1,0,0]=3 6777 B19R2.11850 O[C@H](COCc1ccc(cn1)F)c2ccccc2 34a_100011999454_100011933945 [0,1,0,0,0,1|1,0,0]=3 6778 B19R2.11850 O[C@H](COCc1cnc(cn1)Cl)c2ccccc2 34a_100012002382_100011933945 [0,1,0,0,0,1|2,0,0]=4 6779 B19R2.11850 O[C@H](CSCc1ccc(cc1)Br)c2ccccc2 62a_100000189115_100011933945 [0,1,0,0,0,1|2,0,0]=4 6780 B19R2.11850 O[C@H](CSCc1ccc(cc1)Br)c2ccccc2 62a_100011933945_100000189115 [0,1,0,0,0,1|2,0,0]=4 6781 B19R2.11850 O[C@H](CSCc1ccc(cc1)Cl)c2ccccc2 62a_100000187161_100011933945 [0,1,0,0,0,1|2,0,0]=4 6782 B19R2.11850 O[C@H](CSCc1ccc(cc1)Cl)c2ccccc2 62a_100011933945_100000187161 [0,1,0,0,0,1|2,0,0]=4 6783 B19R2.11850 O[C@H](CSCc1ccc(cc1)F)c2ccccc2 62a_100000198546_100011933945 [0,1,0,0,0,1|2,0,0]=4 6784 B19R2.11850 O[C@H](CSCc1ccc(cc1)F)c2ccccc2 62a_100011933945_100000187164 [0,1,0,0,0,1|2,0,0]=4 6785 B19R2.11850 O[C@H](CSCc1ccc(cc1)I)c2ccccc2 62a_100000189116_100011933945 [0,1,0,0,0,1|2,0,0]=4 6786 B19R2.11850 O[C@H](CSCc1ccc(cc1)I)c2ccccc2 62a_100011933945_100000189116 [0,1,0,0,0,1|2,0,0]=4 6787 B19R2.11850 O[C@H](CSCc1ccc(cn1)Br)c2ccccc2 62a_100000702658_100011933945 [0,1,0,0,0,1|1,0,0]=3 6788 B19R2.11850 O[C@H](CSCc1ccc(cn1)Br)c2ccccc2 62a_100011933945_100000702658 [0,1,0,0,0,1|1,0,0]=3 6789 B19R2.11850 O[C@H](CSCc1ccc(cn1)Cl)c2ccccc2 62a_100011933945_100000697101 [0,1,0,0,0,1|1,0,0]=3 6790 B19R2.11850 O[C@H](CSCc1ccc(cn1)Cl)c2ccccc2 62a_100012066911_100011933945 [0,1,0,0,0,1|1,0,0]=3 6791 B19R2.11850 O[C@H](CSCc1ccc(cn1)F)c2ccccc2 62a_100000703193_100011933945 [0,1,0,0,0,1|1,0,0]=3 6792 B19R2.11850 O[C@H](CSCc1ccc(cn1)F)c2ccccc2 62a_100011933945_100000703193 [0,1,0,0,0,1|1,0,0]=3 6793 B19R2.11850 O[C@H](CSCc1ccc(nn1)Cl)c2ccccc2 62a_100011933945_100016992710 [0,1,0,0,0,1|2,0,0]=4 6794 B19R2.11850 O[C@H](CSCc1ccc(nn1)Cl)c2ccccc2 62a_100016992710_100011933945 [0,1,0,0,0,1|2,0,0]=4 6795 B19R2.11850 O[C@H](CSCc1ncc(cn1)Br)c2ccccc2 62a_100010064664_100011933945 [0,1,0,0,0,1|2,0,0]=4 6796 B19R2.11850 O[C@H](CSCc1ncc(cn1)Br)c2ccccc2 62a_100011933945_100010064664 [0,1,0,0,0,1|2,0,0]=4 6797 B19R2.11850 Oc1ccc(cc1)CNCC(O)c2ccccc2 34a_100000185549_100000185958 [0,1,0,0,0,1|1,0,0]=3 6798 B19R2.11850 Oc1ccc(cc1)CNC[C@@H](O)c2ccccc2 34a_100000185549_100011933945 [0,1,0,0,0,1|1,0,0]=3 6799 B19R2.11850 Oc1ccc(cc1)NCC[C@@H](O)c2ccccc2 34a_100000185829_100000729684 [0,1,0,0,0,1|1,0,0]=3 6800 B19R2.11850 Oc1ccc(cc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000185759 [0,1,0,0,0,1|2,0,0]=4 6801 B19R2.11850 Oc1ccc(cn1)CNCC(O)c2ccccc2 207a_100000210709_100011361521 [0,1,0,0,0,1|2,0,0]=4 6802 B19R2.11850 Oc1ccc(cn1)CNCC(O)c2ccccc2 2230a_100000757128_100000185958 [0,1,0,0,0,1|2,0,0]=4 6803 B19R2.11850 Oc1ccc(cn1)CNC[C@@H](O)c2ccccc2 2230a_100000757128_100011933945 [0,1,0,0,0,1|2,0,0]=4 6804 B19R2.11850 Oc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000685995_100000729684 [0,1,0,0,0,1|1,0,0]=3 6805 B19R2.11850 Oc1ccc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000744096 [0,1,0,0,0,1|1,0,0]=3 6806 B19R2.11850 Oc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100015839800 [0,1,0,0,0,1|2,0,0]=4 6807 B19R2.11850 Oc1cnc(cn1)SCC[C@@H](O)c2ccccc2 62a_100011934580_100000729684 [0,1,0,0,0,1|2,0,0]=4 6808 B19R2.11850 Oc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000729684_100000092845 [0,1,0,0,0,1|2,0,0]=4 6809 B19R2.11850 Oc1cnc(nc1)SCC[C@@H](O)c2ccccc2 62a_100000730009_100000729684 [0,1,0,0,0,1|2,0,0]=4 6810 B19R2.49526 CC(C)(CNCc1ccccc1)c2ccccc2 207a_100011211644_100015611070 [0,1,0,0,0,1|2,0,0]=4 6811 B19R2.49526 CC(C)(CNCc1ccccc1)c2ccccc2 2230a_100011211644_100015291786 [0,1,0,0,0,1|2,0,0]=4 6812 B19R2.49526 CC(C)(CNCc1ccccc1)c2ccccc2 270004a_100011211644_100015611070 [0,1,0,0,0,1|2,0,0]=4 6813 B19R2.49526 CC(C)(CNCc1ccccn1)c2ccccc2 207a_100011211644_100000209966 [0,1,0,0,0,1|1,0,0]=3 6814 B19R2.49526 CC(C)(CNCc1ccccn1)c2ccccc2 2230a_100011211644_100000721315 [0,1,0,0,0,1|1,0,0]=3 6815 B19R2.49526 CC(C)(CNCc1ccccn1)c2ccccc2 270004a_100011211644_100000209966 [0,1,0,0,0,1|1,0,0]=3 6816 B19R2.49526 CC(C)(CNCc1cccnn1)c2ccccc2 2230a_100011211644_100016990269 [0,1,0,0,0,1|2,0,0]=4 6817 B19R2.49526 CC(C)(CNCc1cnccn1)c2ccccc2 2230a_100011211644_100016995436 [0,1,0,0,0,1|2,0,0]=4 6818 B19R2.49526 CC(C)(CNCc1cnccn1)c2ccccc2 270004a_100011211644_100000749867 [0,1,0,0,0,1|2,0,0]=4 6819 B19R2.49526 CC(C)(CNCc1ncccn1)c2ccccc2 2230a_100011211644_100000703007 [0,1,0,0,0,1|2,0,0]=4 6820 B19R2.49526 CC(C)(CNCc1ncccn1)c2ccccc2 270004a_100011211644_100011532527 [0,1,0,0,0,1|2,0,0]=4 6821 B19R2.49526 CC(C)(COCc1ccccn1)c2ccccc2 7a_100000747608_100000721315 [0,1,0,0,0,1|2,0,0]=4 6822 B19R2.49526 CC(C)(CSCc1ccccn1)c2ccccc2 62a_100000703224_100000721315 [0,1,0,0,0,1|2,0,0]=4 6823 B19R2.49526 CC(C)(CSCc1ccccn1)c2ccccc2 62a_100000721315_100000703224 [0,1,0,0,0,1|2,0,0]=4 6824 B19R2.49526 CC(C)(NCCc1ccccn1)c2ccccc2 2230a_100011218174_100015183660 [0,1,0,0,0,1|2,0,0]=4 6825 B19R2.49526 CC(C)(OCCc1ccccn1)c2ccccc2 7a_100000694644_100015183660 [0,1,0,0,0,1|2,0,0]=4 6826 B19R2.49526 CC(C)(SCCc1ccccn1)c2ccccc2 62a_100000034625_100015183660 [0,1,0,0,0,1|2,0,0]=4 6827 B19R2.49526 CC(C)(SCCc1ccccn1)c2ccccc2 62a_100015183660_100000034625 [0,1,0,0,0,1|2,0,0]=4 6828 B19R2.49526 CC(O)(CNCc1ccccc1)c2ccccc2 207a_100011660926_100015611070 [0,1,0,0,0,1|1,0,0]=3 6829 B19R2.49526 CC(O)(CNCc1ccccc1)c2ccccc2 2230a_100011660926_100015291786 [0,1,0,0,0,1|1,0,0]=3 6830 B19R2.49526 CC(O)(CNCc1ccccc1)c2ccccc2 270004a_100011660926_100015611070 [0,1,0,0,0,1|1,0,0]=3 6831 B19R2.49526 CC(O)(CNCc1ccccn1)c2ccccc2 207a_100011660926_100000209966 [0,1,0,0,0,1|0,0,0]=2 6832 B19R2.49526 CC(O)(CNCc1ccccn1)c2ccccc2 2230a_100011660926_100000721315 [0,1,0,0,0,1|0,0,0]=2 6833 B19R2.49526 CC(O)(CNCc1ccccn1)c2ccccc2 270004a_100011660926_100000209966 [0,1,0,0,0,1|0,0,0]=2 6834 B19R2.49526 CC(O)(CNCc1cccnc1)c2ccccc2 207a_100011660926_100000209961 [0,1,0,0,0,1|2,0,0]=4 6835 B19R2.49526 CC(O)(CNCc1cccnc1)c2ccccc2 2230a_100011660926_100000741622 [0,1,0,0,0,1|2,0,0]=4 6836 B19R2.49526 CC(O)(CNCc1cccnc1)c2ccccc2 270004a_100011660926_100000209961 [0,1,0,0,0,1|2,0,0]=4 6837 B19R2.49526 CC(O)(CNCc1cccnn1)c2ccccc2 2230a_100011660926_100016990269 [0,1,0,0,0,1|1,0,0]=3 6838 B19R2.49526 CC(O)(CNCc1ccncc1)c2ccccc2 207a_100011660926_100000186114 [0,1,0,0,0,1|2,0,0]=4 6839 B19R2.49526 CC(O)(CNCc1ccncc1)c2ccccc2 2230a_100011660926_100015193705 [0,1,0,0,0,1|2,0,0]=4 6840 B19R2.49526 CC(O)(CNCc1cnccn1)c2ccccc2 2230a_100011660926_100016995436 [0,1,0,0,0,1|1,0,0]=3 6841 B19R2.49526 CC(O)(CNCc1cnccn1)c2ccccc2 270004a_100011660926_100000749867 [0,1,0,0,0,1|1,0,0]=3 6842 B19R2.49526 CC(O)(CNCc1ncccn1)c2ccccc2 2230a_100011660926_100000703007 [0,1,0,0,0,1|1,0,0]=3 6843 B19R2.49526 CC(O)(CNCc1ncccn1)c2ccccc2 270004a_100011660926_100011532527 [0,1,0,0,0,1|1,0,0]=3 6844 B19R2.49526 FC(F)(CNCc1ccccc1)c2ccccc2 207a_100000717977_100015611070 [0,1,0,0,0,1|2,0,0]=4 6845 B19R2.49526 FC(F)(CNCc1ccccc1)c2ccccc2 270004a_100000717977_100015611070 [0,1,0,0,0,1|2,0,0]=4 6846 B19R2.49526 FC(F)(CNCc1ccccc1)c2ccccc2 34a_100000717977_100015291786 [0,1,0,0,0,1|2,0,0]=4 6847 B19R2.49526 FC(F)(CNCc1ccccc1)c2ccccc2 34a_100015324214_100009875531 [0,1,0,0,0,1|2,0,0]=4 6848 B19R2.49526 FC(F)(CNCc1ccccn1)c2ccccc2 207a_100000717977_100000209966 [0,1,0,0,0,1|1,0,0]=3 6849 B19R2.49526 FC(F)(CNCc1ccccn1)c2ccccc2 270004a_100000717977_100000209966 [0,1,0,0,0,1|1,0,0]=3 6850 B19R2.49526 FC(F)(CNCc1ccccn1)c2ccccc2 34a_100000717977_100000721315 [0,1,0,0,0,1|1,0,0]=3 6851 B19R2.49526 FC(F)(CNCc1cccnn1)c2ccccc2 34a_100000717977_100016990269 [0,1,0,0,0,1|2,0,0]=4 6852 B19R2.49526 FC(F)(CNCc1cnccn1)c2ccccc2 270004a_100000717977_100000749867 [0,1,0,0,0,1|2,0,0]=4 6853 B19R2.49526 FC(F)(CNCc1cnccn1)c2ccccc2 34a_100000717977_100016995436 [0,1,0,0,0,1|2,0,0]=4 6854 B19R2.49526 FC(F)(CNCc1ncccn1)c2ccccc2 270004a_100000717977_100011532527 [0,1,0,0,0,1|2,0,0]=4 6855 B19R2.49526 FC(F)(CNCc1ncccn1)c2ccccc2 34a_100000717977_100000703007 [0,1,0,0,0,1|2,0,0]=4 6856 B19R2.49526 FC(F)(CSCc1ccccn1)c2ccccc2 62a_100000721315_100009875531 [0,1,0,0,0,1|2,0,0]=4 6857 B19R2.49526 FC(F)(CSCc1ccccn1)c2ccccc2 62a_100009875531_100000721315 [0,1,0,0,0,1|2,0,0]=4 6858 B19R2.49526 FC(F)(SCCc1ccccn1)c2ccccc2 62a_100015183660_100000036403 [0,1,0,0,0,1|2,0,0]=4 6859 B19R2.7336 O=c1cccccc1OCC(O)c2ccccc2 34a_100000036025_100000185958 [0,1,0,0,0,1|2,0,0]=4 6860 B19R2.7336 O=c1cccccc1OCC(O)c2ccccc2 7a_100000036025_100000185958 [0,1,0,0,0,1|2,0,0]=4 6861 B19R2.7336 O=c1cccccc1OC[C@@H](O)c2ccccc2 34a_100000036025_100011933945 [0,1,0,0,0,1|2,0,0]=4 6862 B19R2.7336 O=c1cccccc1OC[C@@H](O)c2ccccc2 7a_100000036025_100011933945 [0,1,0,0,0,1|2,0,0]=4 6863 B19R2.60 COc1ccc(cc1)C(O)CNc2cccnn2 27a_100000738651_100016991348 [0,2,0,0,0,0|1,0,0]=3 6864 B19R2.60 COc1ccc(cc1)C(O)CNc2ccncn2 27a_100000738651_100000703185 [0,2,0,0,0,0|1,0,0]=3 6865 B19R2.60 COc1ccc(cc1)C(O)CNc2cnccn2 27a_100000738651_100000211759 [0,2,0,0,0,0|1,0,0]=3 6866 B19R2.60 COc1ccc(cc1)C(O)CNc2ncccn2 27a_100000738651_100000211032 [0,2,0,0,0,0|1,0,0]=3 6867 B19R2.60 COc1ccc(cc1)C(O)COc2ccccc2 34a_100126045699_200000210301 [0,2,0,0,0,0|2,0,0]=4 6868 B19R2.60 COc1ccc(cc1)C(O)COc2ccccc2 7a_100126045699_200000210301 [0,2,0,0,0,0|2,0,0]=4 6869 B19R2.60 [13CH3]Oc1ccc(cc1)C(O)COc2ccccc2 34a_100126045699_200025704644 [0,2,0,0,0,0|2,0,0]=4 6870 B19R2.60 [13CH3]Oc1ccc(cc1)C(O)COc2ccccc2 7a_100126045699_200025704644 [0,2,0,0,0,0|2,0,0]=4 6871 B19R2.283 C[C@@H](Nc1cccnn1)[C@@H](O)c2ccc(cc2)Cl 27a_200009830414_100016991348 [0,2,0,0,0,0|1,0,0]=3 6872 B19R2.283 C[C@@H](Nc1ccncn1)[C@@H](O)c2ccc(cc2)Cl 27a_200009830414_100000703185 [0,2,0,0,0,0|1,0,0]=3 6873 B19R2.283 C[C@@H](Nc1cnccn1)[C@@H](O)c2ccc(cc2)Cl 27a_200009830414_100000211759 [0,2,0,0,0,0|1,0,0]=3 6874 B19R2.283 C[C@@H](Nc1ncccn1)[C@@H](O)c2ccc(cc2)Cl 27a_200009830414_100000211032 [0,2,0,0,0,0|1,0,0]=3 6875 B19R2.283 Cc1ccc(cc1)[C@@H](O)C(=O)Cc2ccccn2 1458a_100009815954_100000721315 [0,2,0,0,0,0|1,0,1]=4 6876 B19R2.283 Cc1ccc(cc1)[C@@H](O)C(=O)Nc2ccccc2 22a_100000106764_100009815954 [0,2,0,0,0,0|1,0,1]=4 6877 B19R2.283 O=C(Cc1ccccn1)C(O)c2ccc(cc2)Br 1458a_100000756554_100000721315 [0,2,0,0,0,0|1,0,1]=4 6878 B19R2.283 O=C(Cc1ccccn1)C(O)c2ccc(cc2)F 1458a_100000209909_100000721315 [0,2,0,0,0,0|1,0,1]=4 6879 B19R2.283 O=C(Cc1ccccn1)C(O)c2ccc(cc2)O 1458a_100011215213_100000721315 [0,2,0,0,0,0|1,0,1]=4 6880 B19R2.283 O=C(Cc1ccccn1)[C@H](O)c2ccc(cc2)Cl 1458a_100009817493_100000721315 [0,2,0,0,0,0|1,0,1]=4 6881 B19R2.283 O=C(Nc1ccccc1)C(O)c2ccc(cc2)Br 22a_100000106764_100000756554 [0,2,0,0,0,0|1,0,1]=4 6882 B19R2.283 O=C(Nc1ccccc1)C(O)c2ccc(cc2)F 22a_100000106764_100000209909 [0,2,0,0,0,0|1,0,1]=4 6883 B19R2.283 O=C(Nc1ccccc1)C(O)c2ccc(cc2)O 22a_100000106764_100011215213 [0,2,0,0,0,0|1,0,1]=4 6884 B19R2.283 O=C(Nc1ccccc1)[C@H](O)c2ccc(cc2)Cl 22a_100000106764_100009817493 [0,2,0,0,0,0|1,0,1]=4 6885 B19R2.3970 Cc1ccc(cc1)C(=NNc2ccccn2)CO 4a_100000183288_100000246368 [0,2,0,0,0,0|1,0,1]=4 6886 B19R2.3970 Cc1ccc(cc1)[C@H](CO)NCc2ccccn2 207a_100009818840_100000209966 [0,2,0,0,0,0|2,0,0]=4 6887 B19R2.3970 Cc1ccc(cc1)[C@H](CO)NCc2ccccn2 2230a_100009818840_100000721315 [0,2,0,0,0,0|2,0,0]=4 6888 B19R2.3970 Cc1ccc(cc1)[C@H](CO)NCc2ccccn2 270004a_100009818840_100000209966 [0,2,0,0,0,0|2,0,0]=4 6889 B19R2.3970 Cc1ccc(cc1)[C@H](CO)NCc2ccccn2 34a_100009818840_100000721315 [0,2,0,0,0,0|2,0,0]=4 6890 B19R2.3970 OCC(=NNc1ccccn1)c2ccc(cc2)Br 4a_100000183288_100011219529 [0,2,0,0,0,0|1,0,1]=4 6891 B19R2.3970 OCC(=NNc1ccccn1)c2ccc(cc2)F 4a_100000183288_100000246311 [0,2,0,0,0,0|1,0,1]=4 6892 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)Br 207a_100000734186_100000209966 [0,2,0,0,0,0|2,0,0]=4 6893 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)Br 2230a_100000734186_100000721315 [0,2,0,0,0,0|2,0,0]=4 6894 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)Br 270004a_100000734186_100000209966 [0,2,0,0,0,0|2,0,0]=4 6895 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)Br 34a_100000734186_100000721315 [0,2,0,0,0,0|2,0,0]=4 6896 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)F 207a_100000705410_100000209966 [0,2,0,0,0,0|2,0,0]=4 6897 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)F 2230a_100000705410_100000721315 [0,2,0,0,0,0|2,0,0]=4 6898 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)F 270004a_100000705410_100000209966 [0,2,0,0,0,0|2,0,0]=4 6899 B19R2.3970 OCC(NCc1ccccn1)c2ccc(cc2)F 34a_100000705410_100000721315 [0,2,0,0,0,0|2,0,0]=4 6900 B19R2.3970 OC[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 207a_100009818818_100000209966 [0,2,0,0,0,0|2,0,0]=4 6901 B19R2.3970 OC[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 2230a_100009818818_100000721315 [0,2,0,0,0,0|2,0,0]=4 6902 B19R2.3970 OC[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 270004a_100009818818_100000209966 [0,2,0,0,0,0|2,0,0]=4 6903 B19R2.3970 OC[C@@H](NCc1ccccn1)c2ccc(cc2)Cl 34a_100009818818_100000721315 [0,2,0,0,0,0|2,0,0]=4 6904 B19R2.4200 CC(CNc1c[n+](ccn1)[O-])c2ccc(cc2)O 27a_200015188644_100009880115 [0,2,0,0,0,0|2,0,0]=4 6905 B19R2.4200 CC(CNc1cc(ccn1)F)c2ccc(cc2)O 27a_200015188644_100000764206 [0,2,0,0,0,0|1,0,0]=3 6906 B19R2.4200 CC(CNc1cc(ncn1)F)c2ccc(cc2)O 27a_200015188644_200009880791 [0,2,0,0,0,0|2,0,0]=4 6907 B19R2.4200 CC(CNc1cc(ncn1)N)c2ccc(cc2)O 27a_200015188644_100000701291 [0,2,0,0,0,0|2,0,0]=4 6908 B19R2.4200 CC(CNc1cc(ncn1)O)c2ccc(cc2)O 27a_200015188644_100000765262 [0,2,0,0,0,0|2,0,0]=4 6909 B19R2.4200 CC(CNc1cc[nH]c(=O)n1)c2ccc(cc2)O 27a_200015188644_200000134032 [0,2,0,0,0,0|2,0,0]=4 6910 B19R2.4200 CC(CNc1cccc(n1)F)c2ccc(cc2)O 27a_200015188644_100009815982 [0,2,0,0,0,0|1,0,0]=3 6911 B19R2.4200 CC(CNc1ccnc(n1)N)c2ccc(cc2)O 27a_200015188644_100000055538 [0,2,0,0,0,0|2,0,0]=4 6912 B19R2.4200 CC(CNc1cncc(n1)Cl)c2ccc(cc2)O 27a_200015188644_100010892449 [0,2,0,0,0,0|2,0,0]=4 6913 B19R2.4200 CC(CNc1cncc(n1)F)c2ccc(cc2)O 27a_200015188644_200009863489 [0,2,0,0,0,0|2,0,0]=4 6914 B19R2.4200 CC(CNc1nccc(n1)N)c2ccc(cc2)O 27a_200015188644_100000757536 [0,2,0,0,0,0|2,0,0]=4 6915 B19R2.4200 CC(CNc1nccc(n1)O)c2ccc(cc2)O 27a_200015188644_100011649813 [0,2,0,0,0,0|2,0,0]=4 6916 B19R2.4200 Cc1cc(ccn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000758586 [0,2,0,0,0,0|2,0,0]=4 6917 B19R2.4200 Cc1cc(ccn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000758586 [0,2,0,0,0,0|2,0,0]=4 6918 B19R2.4200 Cc1cc(ccn1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000758586 [0,2,0,0,0,0|2,0,0]=4 6919 B19R2.4200 Cc1cc(ncn1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000744208 [0,2,0,0,0,0|2,0,0]=4 6920 B19R2.4200 Cc1cc(ncn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000744208 [0,2,0,0,0,0|1,0,0]=3 6921 B19R2.4200 Cc1cc(ncn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000744208 [0,2,0,0,0,0|1,0,0]=3 6922 B19R2.4200 Cc1cc(ncn1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000744208 [0,2,0,0,0,0|1,0,0]=3 6923 B19R2.4200 Cc1cc(ncn1)SCC(O)c2ccc(cc2)Cl 62a_100000744208_200011996143 [0,2,0,0,0,0|2,0,0]=4 6924 B19R2.4200 Cc1cc(ncn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000744208 [0,2,0,0,0,0|2,0,0]=4 6925 B19R2.4200 Cc1cc(ncn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000744208 [0,2,0,0,0,0|2,0,0]=4 6926 B19R2.4200 Cc1cc(ncn1)SC[C@H](O)c2ccc(cc2)F 62a_100000744208_100000720402 [0,2,0,0,0,0|2,0,0]=4 6927 B19R2.4200 Cc1ccc(cc1)C(O)CNc2c[n+](ccn2)[O-] 27a_200020610344_100009880115 [0,2,0,0,0,0|1,0,0]=3 6928 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc(ccn2)F 27a_200020610344_100000764206 [0,2,0,0,0,0|0,0,0]=2 6929 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc(cnn2)C 27a_200020610344_100000070100 [0,2,0,0,0,0|1,0,0]=3 6930 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc(ncn2)C 27a_200020610344_100000744208 [0,2,0,0,0,0|1,0,0]=3 6931 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc(ncn2)F 27a_200020610344_200009880791 [0,2,0,0,0,0|1,0,0]=3 6932 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc(ncn2)N 27a_200020610344_100000701291 [0,2,0,0,0,0|1,0,0]=3 6933 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc(ncn2)O 27a_200020610344_100000765262 [0,2,0,0,0,0|1,0,0]=3 6934 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc[nH]c(=O)c2 27a_200020610344_100000061649 [0,2,0,0,0,0|2,0,0]=4 6935 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cc[nH]c(=O)n2 27a_200020610344_200000134032 [0,2,0,0,0,0|1,0,0]=3 6936 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cccc(n2)F 27a_200020610344_100009815982 [0,2,0,0,0,0|0,0,0]=2 6937 B19R2.4200 Cc1ccc(cc1)C(O)CNc2ccnc(c2)C 27a_200020610344_100000758586 [0,2,0,0,0,0|2,0,0]=4 6938 B19R2.4200 Cc1ccc(cc1)C(O)CNc2ccnc(c2)F 27a_200020610344_100009816116 [0,2,0,0,0,0|2,0,0]=4 6939 B19R2.4200 Cc1ccc(cc1)C(O)CNc2ccnc(n2)C 27a_200020610344_100000749937 [0,2,0,0,0,0|1,0,0]=3 6940 B19R2.4200 Cc1ccc(cc1)C(O)CNc2ccnc(n2)N 27a_200020610344_100000055538 [0,2,0,0,0,0|1,0,0]=3 6941 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cncc(n2)C 27a_200020610344_100000754123 [0,2,0,0,0,0|1,0,0]=3 6942 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cncc(n2)Cl 27a_200020610344_100010892449 [0,2,0,0,0,0|1,0,0]=3 6943 B19R2.4200 Cc1ccc(cc1)C(O)CNc2cncc(n2)F 27a_200020610344_200009863489 [0,2,0,0,0,0|1,0,0]=3 6944 B19R2.4200 Cc1ccc(cc1)C(O)CNc2nccc(n2)C 27a_200020610344_100000750684 [0,2,0,0,0,0|1,0,0]=3 6945 B19R2.4200 Cc1ccc(cc1)C(O)CNc2nccc(n2)N 27a_200020610344_100000757536 [0,2,0,0,0,0|1,0,0]=3 6946 B19R2.4200 Cc1ccc(cc1)C(O)CNc2nccc(n2)O 27a_200020610344_100011649813 [0,2,0,0,0,0|1,0,0]=3 6947 B19R2.4200 Cc1ccc(cc1)C(O)CNc2ncnc(n2)N 27a_200020610344_100000123831 [0,2,0,0,0,0|2,0,0]=4 6948 B19R2.4200 Cc1cccc(c1)NCC(O)c2ccc(cc2)Cl 2230a_100000188690_200011996143 [0,2,0,0,0,0|1,0,0]=3 6949 B19R2.4200 Cc1cccc(c1)NCC(O)c2ccc(cc2)Cl 34a_100000188690_200011996143 [0,2,0,0,0,0|1,0,0]=3 6950 B19R2.4200 Cc1cccc(c1)NC[C@H](O)c2ccc(cc2)F 2230a_100000188690_100000720402 [0,2,0,0,0,0|1,0,0]=3 6951 B19R2.4200 Cc1cccc(c1)NC[C@H](O)c2ccc(cc2)F 34a_100000188690_100000720402 [0,2,0,0,0,0|1,0,0]=3 6952 B19R2.4200 Cc1cccc(c1)OCC(O)c2ccc(cc2)Cl 34a_100000210337_200011996143 [0,2,0,0,0,0|2,0,0]=4 6953 B19R2.4200 Cc1cccc(c1)OCC(O)c2ccc(cc2)Cl 7a_100000210337_200011996143 [0,2,0,0,0,0|2,0,0]=4 6954 B19R2.4200 Cc1cccc(c1)OC[C@H](O)c2ccc(cc2)F 34a_100000210337_100000720402 [0,2,0,0,0,0|2,0,0]=4 6955 B19R2.4200 Cc1cccc(c1)OC[C@H](O)c2ccc(cc2)F 7a_100000210337_100000720402 [0,2,0,0,0,0|2,0,0]=4 6956 B19R2.4200 Cc1cccc(c1)SCC(O)c2ccc(cc2)Cl 62a_100011215228_200011996143 [0,2,0,0,0,0|2,0,0]=4 6957 B19R2.4200 Cc1cccc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011215228 [0,2,0,0,0,0|2,0,0]=4 6958 B19R2.4200 Cc1cccc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011215228 [0,2,0,0,0,0|2,0,0]=4 6959 B19R2.4200 Cc1cccc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100011215228_100000720402 [0,2,0,0,0,0|2,0,0]=4 6960 B19R2.4200 Cc1cccc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000742759_200011996143 [0,2,0,0,0,0|1,0,0]=3 6961 B19R2.4200 Cc1cccc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000742759 [0,2,0,0,0,0|1,0,0]=3 6962 B19R2.4200 Cc1cccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000742759 [0,2,0,0,0,0|1,0,0]=3 6963 B19R2.4200 Cc1cccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000742759_100000720402 [0,2,0,0,0,0|1,0,0]=3 6964 B19R2.4200 Cc1ccnc(c1)SCC(O)c2ccc(cc2)Cl 62a_100000750283_200011996143 [0,2,0,0,0,0|1,0,0]=3 6965 B19R2.4200 Cc1ccnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000750283 [0,2,0,0,0,0|1,0,0]=3 6966 B19R2.4200 Cc1ccnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000750283 [0,2,0,0,0,0|1,0,0]=3 6967 B19R2.4200 Cc1ccnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000750283_100000720402 [0,2,0,0,0,0|1,0,0]=3 6968 B19R2.4200 Cc1ccnc(n1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000750684 [0,2,0,0,0,0|2,0,0]=4 6969 B19R2.4200 Cc1ccnc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000750684 [0,2,0,0,0,0|1,0,0]=3 6970 B19R2.4200 Cc1ccnc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000750684 [0,2,0,0,0,0|1,0,0]=3 6971 B19R2.4200 Cc1ccnc(n1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000750684 [0,2,0,0,0,0|1,0,0]=3 6972 B19R2.4200 Cc1ccnc(n1)SCC(O)c2ccc(cc2)Cl 62a_100011243806_200011996143 [0,2,0,0,0,0|2,0,0]=4 6973 B19R2.4200 Cc1ccnc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011243806 [0,2,0,0,0,0|2,0,0]=4 6974 B19R2.4200 Cc1ccnc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011243806 [0,2,0,0,0,0|2,0,0]=4 6975 B19R2.4200 Cc1ccnc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100011243806_100000720402 [0,2,0,0,0,0|2,0,0]=4 6976 B19R2.4200 Cc1cncc(n1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000754123 [0,2,0,0,0,0|2,0,0]=4 6977 B19R2.4200 Cc1cncc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000754123 [0,2,0,0,0,0|1,0,0]=3 6978 B19R2.4200 Cc1cncc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000754123 [0,2,0,0,0,0|1,0,0]=3 6979 B19R2.4200 Cc1cncc(n1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000754123 [0,2,0,0,0,0|1,0,0]=3 6980 B19R2.4200 Cc1cncc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000754123_200011996143 [0,2,0,0,0,0|2,0,0]=4 6981 B19R2.4200 Cc1cncc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000754123 [0,2,0,0,0,0|2,0,0]=4 6982 B19R2.4200 Cc1cncc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000754123 [0,2,0,0,0,0|2,0,0]=4 6983 B19R2.4200 Cc1cncc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000754123_100000720402 [0,2,0,0,0,0|2,0,0]=4 6984 B19R2.4200 Cc1cnnc(c1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000070100 [0,2,0,0,0,0|2,0,0]=4 6985 B19R2.4200 Cc1cnnc(c1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000070100 [0,2,0,0,0,0|1,0,0]=3 6986 B19R2.4200 Cc1cnnc(c1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000070100 [0,2,0,0,0,0|1,0,0]=3 6987 B19R2.4200 Cc1cnnc(c1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000070100 [0,2,0,0,0,0|1,0,0]=3 6988 B19R2.4200 Cc1cnnc(c1)OCC(O)c2ccc(cc2)Cl 34a_100000766097_200011996143 [0,2,0,0,0,0|2,0,0]=4 6989 B19R2.4200 Cc1cnnc(c1)OC[C@H](O)c2ccc(cc2)F 34a_100000766097_100000720402 [0,2,0,0,0,0|2,0,0]=4 6990 B19R2.4200 Cc1cnnc(c1)SCC(O)c2ccc(cc2)Cl 62a_100000070100_200011996143 [0,2,0,0,0,0|2,0,0]=4 6991 B19R2.4200 Cc1cnnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000070100 [0,2,0,0,0,0|2,0,0]=4 6992 B19R2.4200 Cc1cnnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000070100_100000720402 [0,2,0,0,0,0|2,0,0]=4 6993 B19R2.4200 Cc1cnnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000070100 [0,2,0,0,0,0|2,0,0]=4 6994 B19R2.4200 Cc1nccc(n1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000749937 [0,2,0,0,0,0|2,0,0]=4 6995 B19R2.4200 Cc1nccc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000749937 [0,2,0,0,0,0|1,0,0]=3 6996 B19R2.4200 Cc1nccc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000749937 [0,2,0,0,0,0|1,0,0]=3 6997 B19R2.4200 Cc1nccc(n1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000749937 [0,2,0,0,0,0|1,0,0]=3 6998 B19R2.4200 Cc1nccc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000749937_200011996143 [0,2,0,0,0,0|2,0,0]=4 6999 B19R2.4200 Cc1nccc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000749937 [0,2,0,0,0,0|2,0,0]=4 7000 B19R2.4200 Cc1nccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000749937 [0,2,0,0,0,0|2,0,0]=4 7001 B19R2.4200 Cc1nccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000749937_100000720402 [0,2,0,0,0,0|2,0,0]=4 7002 B19R2.4200 Nc1cc(ncn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000701291 [0,2,0,0,0,0|1,0,0]=3 7003 B19R2.4200 Nc1cc(ncn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000701291 [0,2,0,0,0,0|1,0,0]=3 7004 B19R2.4200 Nc1cc(ncn1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000701291 [0,2,0,0,0,0|1,0,0]=3 7005 B19R2.4200 Nc1cc(ncn1)SCC(O)c2ccc(cc2)Cl 62a_100000701291_200011996143 [0,2,0,0,0,0|2,0,0]=4 7006 B19R2.4200 Nc1cc(ncn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000701291 [0,2,0,0,0,0|2,0,0]=4 7007 B19R2.4200 Nc1cc(ncn1)SC[C@H](O)c2ccc(cc2)F 62a_100000701291_100000720402 [0,2,0,0,0,0|2,0,0]=4 7008 B19R2.4200 Nc1cc(ncn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000701291 [0,2,0,0,0,0|2,0,0]=4 7009 B19R2.4200 Nc1cccc(c1)OCC(O)c2ccc(cc2)Cl 34a_100000210217_200011996143 [0,2,0,0,0,0|2,0,0]=4 7010 B19R2.4200 Nc1cccc(c1)OC[C@H](O)c2ccc(cc2)F 34a_100000210217_100000720402 [0,2,0,0,0,0|2,0,0]=4 7011 B19R2.4200 Nc1cccc(c1)SCC(O)c2ccc(cc2)Cl 62a_100000210019_200011996143 [0,2,0,0,0,0|2,0,0]=4 7012 B19R2.4200 Nc1cccc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000210019 [0,2,0,0,0,0|2,0,0]=4 7013 B19R2.4200 Nc1cccc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000210019_100000720402 [0,2,0,0,0,0|2,0,0]=4 7014 B19R2.4200 Nc1cccc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000210019 [0,2,0,0,0,0|2,0,0]=4 7015 B19R2.4200 Nc1cccc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000740741_200011996143 [0,2,0,0,0,0|1,0,0]=3 7016 B19R2.4200 Nc1cccc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000740741 [0,2,0,0,0,0|1,0,0]=3 7017 B19R2.4200 Nc1cccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000740741 [0,2,0,0,0,0|1,0,0]=3 7018 B19R2.4200 Nc1cccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000740741_100000720402 [0,2,0,0,0,0|1,0,0]=3 7019 B19R2.4200 Nc1ccnc(c1)SCC(O)c2ccc(cc2)Cl 62a_100009814236_200011996143 [0,2,0,0,0,0|1,0,0]=3 7020 B19R2.4200 Nc1ccnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100009814236 [0,2,0,0,0,0|1,0,0]=3 7021 B19R2.4200 Nc1ccnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100009814236 [0,2,0,0,0,0|1,0,0]=3 7022 B19R2.4200 Nc1ccnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100009814236_100000720402 [0,2,0,0,0,0|1,0,0]=3 7023 B19R2.4200 Nc1ccnc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000757536 [0,2,0,0,0,0|1,0,0]=3 7024 B19R2.4200 Nc1ccnc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000757536 [0,2,0,0,0,0|1,0,0]=3 7025 B19R2.4200 Nc1ccnc(n1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000757536 [0,2,0,0,0,0|1,0,0]=3 7026 B19R2.4200 Nc1ccnc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000757536_200011996143 [0,2,0,0,0,0|2,0,0]=4 7027 B19R2.4200 Nc1ccnc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000757536 [0,2,0,0,0,0|2,0,0]=4 7028 B19R2.4200 Nc1ccnc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000757536 [0,2,0,0,0,0|2,0,0]=4 7029 B19R2.4200 Nc1ccnc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000757536_100000720402 [0,2,0,0,0,0|2,0,0]=4 7030 B19R2.4200 Nc1cncc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000747728_200011996143 [0,2,0,0,0,0|2,0,0]=4 7031 B19R2.4200 Nc1cncc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000747728 [0,2,0,0,0,0|2,0,0]=4 7032 B19R2.4200 Nc1cncc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000747728 [0,2,0,0,0,0|2,0,0]=4 7033 B19R2.4200 Nc1cncc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000747728_100000720402 [0,2,0,0,0,0|2,0,0]=4 7034 B19R2.4200 Nc1cnnc(c1)SCC(O)c2ccc(cc2)Cl 62a_100011996757_200011996143 [0,2,0,0,0,0|2,0,0]=4 7035 B19R2.4200 Nc1cnnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011996757 [0,2,0,0,0,0|2,0,0]=4 7036 B19R2.4200 Nc1cnnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011996757 [0,2,0,0,0,0|2,0,0]=4 7037 B19R2.4200 Nc1cnnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100011996757_100000720402 [0,2,0,0,0,0|2,0,0]=4 7038 B19R2.4200 Nc1nccc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000055538 [0,2,0,0,0,0|1,0,0]=3 7039 B19R2.4200 Nc1nccc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000055538 [0,2,0,0,0,0|1,0,0]=3 7040 B19R2.4200 Nc1nccc(n1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000055538 [0,2,0,0,0,0|1,0,0]=3 7041 B19R2.4200 Nc1nccc(n1)SCC(O)c2ccc(cc2)Cl 62a_100000055538_200011996143 [0,2,0,0,0,0|2,0,0]=4 7042 B19R2.4200 Nc1nccc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000055538 [0,2,0,0,0,0|2,0,0]=4 7043 B19R2.4200 Nc1nccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000055538_100000720402 [0,2,0,0,0,0|2,0,0]=4 7044 B19R2.4200 Nc1nccc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000055538 [0,2,0,0,0,0|2,0,0]=4 7045 B19R2.4200 Nc1ncnc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000123831 [0,2,0,0,0,0|2,0,0]=4 7046 B19R2.4200 Nc1ncnc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000123831 [0,2,0,0,0,0|2,0,0]=4 7047 B19R2.4200 Nc1ncnc(n1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000123831 [0,2,0,0,0,0|2,0,0]=4 7048 B19R2.4200 O=c1cc(cc[nH]1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000061649 [0,2,0,0,0,0|2,0,0]=4 7049 B19R2.4200 O=c1cc(cc[nH]1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000061649 [0,2,0,0,0,0|2,0,0]=4 7050 B19R2.4200 O=c1cc(cc[nH]1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000061649 [0,2,0,0,0,0|2,0,0]=4 7051 B19R2.4200 O=c1cc(nc[nH]1)SCC(O)c2ccc(cc2)Cl 62a_100012002517_200011996143 [0,2,0,0,0,0|2,0,0]=4 7052 B19R2.4200 O=c1cc(nc[nH]1)SC[C@H](O)c2ccc(cc2)F 62a_100012002517_100000720402 [0,2,0,0,0,0|2,0,0]=4 7053 B19R2.4200 O=c1cc[nH]c(c1)SCC(O)c2ccc(cc2)Cl 62a_100009817434_200011996143 [0,2,0,0,0,0|1,0,1]=4 7054 B19R2.4200 O=c1cc[nH]c(c1)SC[C@H](O)c2ccc(cc2)F 62a_100009817434_100000720402 [0,2,0,0,0,0|1,0,1]=4 7055 B19R2.4200 O=c1cccc([nH]1)OCC(O)c2ccc(cc2)Cl 34a_100000033347_200011996143 [0,2,0,0,0,0|1,0,1]=4 7056 B19R2.4200 O=c1cccc([nH]1)OC[C@H](O)c2ccc(cc2)F 34a_100000033347_100000720402 [0,2,0,0,0,0|1,0,1]=4 7057 B19R2.4200 O=c1cccc([nH]1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000752884 [0,2,0,0,0,0|1,0,1]=4 7058 B19R2.4200 O=c1cccc([nH]1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000752884 [0,2,0,0,0,0|1,0,1]=4 7059 B19R2.4200 O=c1nc(cc[nH]1)NCC(O)c2ccc(cc2)Br 27a_100020626992_200000134032 [0,2,0,0,0,0|1,0,0]=3 7060 B19R2.4200 O=c1nc(cc[nH]1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_200000134032 [0,2,0,0,0,0|1,0,0]=3 7061 B19R2.4200 O=c1nc(cc[nH]1)NCC(O)c2ccc(cc2)O 27a_100000067596_200000134032 [0,2,0,0,0,0|1,0,0]=3 7062 B19R2.4200 O=c1nc(cc[nH]1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_200000134032 [0,2,0,0,0,0|2,0,0]=4 7063 B19R2.4200 O=c1nc(cc[nH]1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_200000134032 [0,2,0,0,0,0|2,0,0]=4 7064 B19R2.4200 OC(CNc1cc(ccn1)F)c2ccc(cc2)Br 27a_100020626992_100000764206 [0,2,0,0,0,0|0,0,0]=2 7065 B19R2.4200 OC(CNc1cc(ccn1)F)c2ccc(cc2)Cl 27a_100000736658_100000764206 [0,2,0,0,0,0|0,0,0]=2 7066 B19R2.4200 OC(CNc1cc(ncn1)F)c2ccc(cc2)Br 27a_100020626992_200009880791 [0,2,0,0,0,0|1,0,0]=3 7067 B19R2.4200 OC(CNc1cc(ncn1)F)c2ccc(cc2)Cl 27a_100000736658_200009880791 [0,2,0,0,0,0|1,0,0]=3 7068 B19R2.4200 OC(CNc1cccc(c1)Br)c2ccc(cc2)Cl 34a_100000210019_200011996143 [0,2,0,0,0,0|1,0,0]=3 7069 B19R2.4200 OC(CNc1cccc(c1)Cl)c2ccc(cc2)Cl 34a_100000185859_200011996143 [0,2,0,0,0,0|1,0,0]=3 7070 B19R2.4200 OC(CNc1cccc(c1)F)c2ccc(cc2)Cl 34a_100000210047_200011996143 [0,2,0,0,0,0|1,0,0]=3 7071 B19R2.4200 OC(CNc1cccc(c1)I)c2ccc(cc2)Cl 34a_100000211102_200011996143 [0,2,0,0,0,0|1,0,0]=3 7072 B19R2.4200 OC(CNc1cccc(n1)F)c2ccc(cc2)Br 27a_100020626992_100009815982 [0,2,0,0,0,0|0,0,0]=2 7073 B19R2.4200 OC(CNc1cccc(n1)F)c2ccc(cc2)Cl 27a_100000736658_100009815982 [0,2,0,0,0,0|0,0,0]=2 7074 B19R2.4200 OC(CNc1ccnc(c1)F)c2ccc(cc2)Br 27a_100020626992_100009816116 [0,2,0,0,0,0|2,0,0]=4 7075 B19R2.4200 OC(CNc1ccnc(c1)F)c2ccc(cc2)Cl 27a_100000736658_100009816116 [0,2,0,0,0,0|2,0,0]=4 7076 B19R2.4200 OC(CNc1cncc(n1)Cl)c2ccc(cc2)Br 27a_100020626992_100010892449 [0,2,0,0,0,0|1,0,0]=3 7077 B19R2.4200 OC(CNc1cncc(n1)Cl)c2ccc(cc2)Cl 27a_100000736658_100010892449 [0,2,0,0,0,0|1,0,0]=3 7078 B19R2.4200 OC(CNc1cncc(n1)F)c2ccc(cc2)Br 27a_100020626992_200009863489 [0,2,0,0,0,0|1,0,0]=3 7079 B19R2.4200 OC(CNc1cncc(n1)F)c2ccc(cc2)Cl 27a_100000736658_200009863489 [0,2,0,0,0,0|1,0,0]=3 7080 B19R2.4200 OC(COc1cccc(c1)Br)c2ccc(cc2)Cl 34a_100000210342_200011996143 [0,2,0,0,0,0|2,0,0]=4 7081 B19R2.4200 OC(COc1cccc(c1)Br)c2ccc(cc2)Cl 7a_100000210342_200011996143 [0,2,0,0,0,0|2,0,0]=4 7082 B19R2.4200 OC(COc1cccc(c1)Cl)c2ccc(cc2)Cl 34a_100000210295_200011996143 [0,2,0,0,0,0|2,0,0]=4 7083 B19R2.4200 OC(COc1cccc(c1)Cl)c2ccc(cc2)Cl 7a_100000210295_200011996143 [0,2,0,0,0,0|2,0,0]=4 7084 B19R2.4200 OC(COc1cccc(c1)F)c2ccc(cc2)Cl 34a_100000210426_200011996143 [0,2,0,0,0,0|2,0,0]=4 7085 B19R2.4200 OC(COc1cccc(c1)F)c2ccc(cc2)Cl 7a_100000210426_200011996143 [0,2,0,0,0,0|2,0,0]=4 7086 B19R2.4200 OC(COc1cccc(c1)I)c2ccc(cc2)Cl 34a_100000211634_200011996143 [0,2,0,0,0,0|2,0,0]=4 7087 B19R2.4200 OC(COc1cccc(c1)I)c2ccc(cc2)Cl 7a_100000211634_200011996143 [0,2,0,0,0,0|2,0,0]=4 7088 B19R2.4200 OC(COc1cccc(n1)F)c2ccc(cc2)Cl 34a_100011432558_200011996143 [0,2,0,0,0,0|1,0,0]=3 7089 B19R2.4200 OC(CSc1cc(ccn1)Cl)c2ccc(cc2)Cl 62a_100010167805_200011996143 [0,2,0,0,0,0|1,0,0]=3 7090 B19R2.4200 OC(CSc1cc(ccn1)Cl)c2ccc(cc2)Cl 62a_200011996143_100010167805 [0,2,0,0,0,0|1,0,0]=3 7091 B19R2.4200 OC(CSc1cc(ccn1)F)c2ccc(cc2)Cl 62a_100000764206_200011996143 [0,2,0,0,0,0|1,0,0]=3 7092 B19R2.4200 OC(CSc1cc(ccn1)F)c2ccc(cc2)Cl 62a_200011996143_100000764206 [0,2,0,0,0,0|1,0,0]=3 7093 B19R2.4200 OC(CSc1cc(ncn1)Cl)c2ccc(cc2)Cl 62a_100010161198_200011996143 [0,2,0,0,0,0|2,0,0]=4 7094 B19R2.4200 OC(CSc1cc(ncn1)Cl)c2ccc(cc2)Cl 62a_200011996143_100010161198 [0,2,0,0,0,0|2,0,0]=4 7095 B19R2.4200 OC(CSc1cc(ncn1)F)c2ccc(cc2)Cl 62a_200009880791_200011996143 [0,2,0,0,0,0|2,0,0]=4 7096 B19R2.4200 OC(CSc1cc(ncn1)F)c2ccc(cc2)Cl 62a_200011996143_200009880791 [0,2,0,0,0,0|2,0,0]=4 7097 B19R2.4200 OC(CSc1cccc(c1)Br)c2ccc(cc2)Cl 62a_100000691529_200011996143 [0,2,0,0,0,0|2,0,0]=4 7098 B19R2.4200 OC(CSc1cccc(c1)Br)c2ccc(cc2)Cl 62a_200011996143_100000691529 [0,2,0,0,0,0|2,0,0]=4 7099 B19R2.4200 OC(CSc1cccc(c1)Cl)c2ccc(cc2)Cl 62a_100000699651_200011996143 [0,2,0,0,0,0|2,0,0]=4 7100 B19R2.4200 OC(CSc1cccc(c1)Cl)c2ccc(cc2)Cl 62a_200011996143_100000699651 [0,2,0,0,0,0|2,0,0]=4 7101 B19R2.4200 OC(CSc1cccc(c1)F)c2ccc(cc2)Cl 62a_100000685547_200011996143 [0,2,0,0,0,0|2,0,0]=4 7102 B19R2.4200 OC(CSc1cccc(c1)F)c2ccc(cc2)Cl 62a_200011996143_100000685547 [0,2,0,0,0,0|2,0,0]=4 7103 B19R2.4200 OC(CSc1cccc(c1)[S])c2ccc(cc2)Cl 62a_114929384022_200011996143 [0,2,0,0,0,0|2,0,0]=4 7104 B19R2.4200 OC(CSc1cccc(c1)[S])c2ccc(cc2)Cl 62a_200011996143_114929384022 [0,2,0,0,0,0|2,0,0]=4 7105 B19R2.4200 OC(CSc1cccc(n1)Br)c2ccc(cc2)Cl 62a_100000684672_200011996143 [0,2,0,0,0,0|1,0,0]=3 7106 B19R2.4200 OC(CSc1cccc(n1)Br)c2ccc(cc2)Cl 62a_200011996143_100000684672 [0,2,0,0,0,0|1,0,0]=3 7107 B19R2.4200 OC(CSc1cccc(n1)Cl)c2ccc(cc2)Cl 62a_100000051397_200011996143 [0,2,0,0,0,0|1,0,0]=3 7108 B19R2.4200 OC(CSc1cccc(n1)Cl)c2ccc(cc2)Cl 62a_200011996143_100000051397 [0,2,0,0,0,0|1,0,0]=3 7109 B19R2.4200 OC(CSc1cccc(n1)F)c2ccc(cc2)Cl 62a_100009815982_200011996143 [0,2,0,0,0,0|1,0,0]=3 7110 B19R2.4200 OC(CSc1cccc(n1)F)c2ccc(cc2)Cl 62a_200011996143_100009815982 [0,2,0,0,0,0|1,0,0]=3 7111 B19R2.4200 OC(CSc1ccnc(n1)Cl)c2ccc(cc2)Cl 62a_100010154678_200011996143 [0,2,0,0,0,0|2,0,0]=4 7112 B19R2.4200 OC(CSc1ccnc(n1)Cl)c2ccc(cc2)Cl 62a_200011996143_100010154678 [0,2,0,0,0,0|2,0,0]=4 7113 B19R2.4200 OC(CSc1cncc(n1)Cl)c2ccc(cc2)Cl 62a_100010892449_200011996143 [0,2,0,0,0,0|2,0,0]=4 7114 B19R2.4200 OC(CSc1cncc(n1)Cl)c2ccc(cc2)Cl 62a_200011996143_100010892449 [0,2,0,0,0,0|2,0,0]=4 7115 B19R2.4200 OC(CSc1cncc(n1)F)c2ccc(cc2)Cl 62a_200009863489_200011996143 [0,2,0,0,0,0|2,0,0]=4 7116 B19R2.4200 OC(CSc1cncc(n1)F)c2ccc(cc2)Cl 62a_200011996143_200009863489 [0,2,0,0,0,0|2,0,0]=4 7117 B19R2.4200 O[C@@H](CNc1cccc(c1)Br)c2ccc(cc2)F 34a_100000210019_100000720402 [0,2,0,0,0,0|1,0,0]=3 7118 B19R2.4200 O[C@@H](CNc1cccc(c1)Cl)c2ccc(cc2)F 34a_100000185859_100000720402 [0,2,0,0,0,0|1,0,0]=3 7119 B19R2.4200 O[C@@H](CNc1cccc(c1)F)c2ccc(cc2)F 34a_100000210047_100000720402 [0,2,0,0,0,0|1,0,0]=3 7120 B19R2.4200 O[C@@H](CNc1cccc(c1)I)c2ccc(cc2)F 34a_100000211102_100000720402 [0,2,0,0,0,0|1,0,0]=3 7121 B19R2.4200 O[C@@H](COc1cccc(c1)Br)c2ccc(cc2)F 34a_100000210342_100000720402 [0,2,0,0,0,0|2,0,0]=4 7122 B19R2.4200 O[C@@H](COc1cccc(c1)Br)c2ccc(cc2)F 7a_100000210342_100000720402 [0,2,0,0,0,0|2,0,0]=4 7123 B19R2.4200 O[C@@H](COc1cccc(c1)Cl)c2ccc(cc2)F 34a_100000210295_100000720402 [0,2,0,0,0,0|2,0,0]=4 7124 B19R2.4200 O[C@@H](COc1cccc(c1)Cl)c2ccc(cc2)F 7a_100000210295_100000720402 [0,2,0,0,0,0|2,0,0]=4 7125 B19R2.4200 O[C@@H](COc1cccc(c1)F)c2ccc(cc2)F 34a_100000210426_100000720402 [0,2,0,0,0,0|2,0,0]=4 7126 B19R2.4200 O[C@@H](COc1cccc(c1)F)c2ccc(cc2)F 7a_100000210426_100000720402 [0,2,0,0,0,0|2,0,0]=4 7127 B19R2.4200 O[C@@H](COc1cccc(c1)I)c2ccc(cc2)F 34a_100000211634_100000720402 [0,2,0,0,0,0|2,0,0]=4 7128 B19R2.4200 O[C@@H](COc1cccc(c1)I)c2ccc(cc2)F 7a_100000211634_100000720402 [0,2,0,0,0,0|2,0,0]=4 7129 B19R2.4200 O[C@@H](COc1cccc(n1)F)c2ccc(cc2)F 34a_100011432558_100000720402 [0,2,0,0,0,0|1,0,0]=3 7130 B19R2.4200 O[C@@H](CSc1cc(ccn1)Cl)c2ccc(cc2)F 62a_100000720402_100010167805 [0,2,0,0,0,0|1,0,0]=3 7131 B19R2.4200 O[C@@H](CSc1cc(ccn1)Cl)c2ccc(cc2)F 62a_100010167805_100000720402 [0,2,0,0,0,0|1,0,0]=3 7132 B19R2.4200 O[C@@H](CSc1cc(ccn1)F)c2ccc(cc2)F 62a_100000720402_100000764206 [0,2,0,0,0,0|1,0,0]=3 7133 B19R2.4200 O[C@@H](CSc1cc(ccn1)F)c2ccc(cc2)F 62a_100000764206_100000720402 [0,2,0,0,0,0|1,0,0]=3 7134 B19R2.4200 O[C@@H](CSc1cc(ncn1)Cl)c2ccc(cc2)F 62a_100000720402_100010161198 [0,2,0,0,0,0|2,0,0]=4 7135 B19R2.4200 O[C@@H](CSc1cc(ncn1)Cl)c2ccc(cc2)F 62a_100010161198_100000720402 [0,2,0,0,0,0|2,0,0]=4 7136 B19R2.4200 O[C@@H](CSc1cc(ncn1)F)c2ccc(cc2)F 62a_100000720402_200009880791 [0,2,0,0,0,0|2,0,0]=4 7137 B19R2.4200 O[C@@H](CSc1cc(ncn1)F)c2ccc(cc2)F 62a_200009880791_100000720402 [0,2,0,0,0,0|2,0,0]=4 7138 B19R2.4200 O[C@@H](CSc1cccc(c1)Br)c2ccc(cc2)F 62a_100000691529_100000720402 [0,2,0,0,0,0|2,0,0]=4 7139 B19R2.4200 O[C@@H](CSc1cccc(c1)Br)c2ccc(cc2)F 62a_100000720402_100000691529 [0,2,0,0,0,0|2,0,0]=4 7140 B19R2.4200 O[C@@H](CSc1cccc(c1)Cl)c2ccc(cc2)F 62a_100000699651_100000720402 [0,2,0,0,0,0|2,0,0]=4 7141 B19R2.4200 O[C@@H](CSc1cccc(c1)Cl)c2ccc(cc2)F 62a_100000720402_100000699651 [0,2,0,0,0,0|2,0,0]=4 7142 B19R2.4200 O[C@@H](CSc1cccc(c1)F)c2ccc(cc2)F 62a_100000685547_100000720402 [0,2,0,0,0,0|2,0,0]=4 7143 B19R2.4200 O[C@@H](CSc1cccc(c1)F)c2ccc(cc2)F 62a_100000720402_100000685547 [0,2,0,0,0,0|2,0,0]=4 7144 B19R2.4200 O[C@@H](CSc1cccc(c1)[S])c2ccc(cc2)F 62a_100000720402_114929384022 [0,2,0,0,0,0|2,0,0]=4 7145 B19R2.4200 O[C@@H](CSc1cccc(c1)[S])c2ccc(cc2)F 62a_114929384022_100000720402 [0,2,0,0,0,0|2,0,0]=4 7146 B19R2.4200 O[C@@H](CSc1cccc(n1)Br)c2ccc(cc2)F 62a_100000684672_100000720402 [0,2,0,0,0,0|1,0,0]=3 7147 B19R2.4200 O[C@@H](CSc1cccc(n1)Br)c2ccc(cc2)F 62a_100000720402_100000684672 [0,2,0,0,0,0|1,0,0]=3 7148 B19R2.4200 O[C@@H](CSc1cccc(n1)Cl)c2ccc(cc2)F 62a_100000051397_100000720402 [0,2,0,0,0,0|1,0,0]=3 7149 B19R2.4200 O[C@@H](CSc1cccc(n1)Cl)c2ccc(cc2)F 62a_100000720402_100000051397 [0,2,0,0,0,0|1,0,0]=3 7150 B19R2.4200 O[C@@H](CSc1cccc(n1)F)c2ccc(cc2)F 62a_100000720402_100009815982 [0,2,0,0,0,0|1,0,0]=3 7151 B19R2.4200 O[C@@H](CSc1cccc(n1)F)c2ccc(cc2)F 62a_100009815982_100000720402 [0,2,0,0,0,0|1,0,0]=3 7152 B19R2.4200 O[C@@H](CSc1ccnc(n1)Cl)c2ccc(cc2)F 62a_100000720402_100010154678 [0,2,0,0,0,0|2,0,0]=4 7153 B19R2.4200 O[C@@H](CSc1ccnc(n1)Cl)c2ccc(cc2)F 62a_100010154678_100000720402 [0,2,0,0,0,0|2,0,0]=4 7154 B19R2.4200 O[C@@H](CSc1cncc(n1)Cl)c2ccc(cc2)F 62a_100000720402_100010892449 [0,2,0,0,0,0|2,0,0]=4 7155 B19R2.4200 O[C@@H](CSc1cncc(n1)Cl)c2ccc(cc2)F 62a_100010892449_100000720402 [0,2,0,0,0,0|2,0,0]=4 7156 B19R2.4200 O[C@@H](CSc1cncc(n1)F)c2ccc(cc2)F 62a_100000720402_200009863489 [0,2,0,0,0,0|2,0,0]=4 7157 B19R2.4200 O[C@@H](CSc1cncc(n1)F)c2ccc(cc2)F 62a_200009863489_100000720402 [0,2,0,0,0,0|2,0,0]=4 7158 B19R2.4200 Oc1cc(ncn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000765262 [0,2,0,0,0,0|1,0,0]=3 7159 B19R2.4200 Oc1cc(ncn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000765262 [0,2,0,0,0,0|1,0,0]=3 7160 B19R2.4200 Oc1cc(ncn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000765262 [0,2,0,0,0,0|2,0,0]=4 7161 B19R2.4200 Oc1cc(ncn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000765262 [0,2,0,0,0,0|2,0,0]=4 7162 B19R2.4200 Oc1ccc(cc1)C(O)CNc2cc(ccn2)F 27a_100000067596_100000764206 [0,2,0,0,0,0|0,0,0]=2 7163 B19R2.4200 Oc1ccc(cc1)C(O)CNc2cc(ncn2)F 27a_100000067596_200009880791 [0,2,0,0,0,0|1,0,0]=3 7164 B19R2.4200 Oc1ccc(cc1)C(O)CNc2cc(ncn2)O 27a_100000067596_100000765262 [0,2,0,0,0,0|1,0,0]=3 7165 B19R2.4200 Oc1ccc(cc1)C(O)CNc2cccc(n2)F 27a_100000067596_100009815982 [0,2,0,0,0,0|0,0,0]=2 7166 B19R2.4200 Oc1ccc(cc1)C(O)CNc2ccnc(c2)F 27a_100000067596_100009816116 [0,2,0,0,0,0|2,0,0]=4 7167 B19R2.4200 Oc1ccc(cc1)C(O)CNc2cncc(n2)Cl 27a_100000067596_100010892449 [0,2,0,0,0,0|1,0,0]=3 7168 B19R2.4200 Oc1ccc(cc1)C(O)CNc2cncc(n2)F 27a_100000067596_200009863489 [0,2,0,0,0,0|1,0,0]=3 7169 B19R2.4200 Oc1ccc(cc1)C(O)CNc2nccc(n2)O 27a_100000067596_100011649813 [0,2,0,0,0,0|1,0,0]=3 7170 B19R2.4200 Oc1cccc(c1)NCC(O)c2ccc(cc2)Cl 34a_100000210217_200011996143 [0,2,0,0,0,0|1,0,0]=3 7171 B19R2.4200 Oc1cccc(c1)NC[C@H](O)c2ccc(cc2)F 34a_100000210217_100000720402 [0,2,0,0,0,0|1,0,0]=3 7172 B19R2.4200 Oc1cccc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000211634 [0,2,0,0,0,0|2,0,0]=4 7173 B19R2.4200 Oc1cccc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000211634 [0,2,0,0,0,0|2,0,0]=4 7174 B19R2.4200 Oc1ccnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000762945 [0,2,0,0,0,0|1,0,0]=3 7175 B19R2.4200 Oc1ccnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000762945 [0,2,0,0,0,0|1,0,0]=3 7176 B19R2.4200 Oc1ccnc(n1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100011649813 [0,2,0,0,0,0|1,0,0]=3 7177 B19R2.4200 Oc1ccnc(n1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100011649813 [0,2,0,0,0,0|1,0,0]=3 7178 B19R2.4200 Oc1ccnc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011649813 [0,2,0,0,0,0|2,0,0]=4 7179 B19R2.4200 Oc1ccnc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011649813 [0,2,0,0,0,0|2,0,0]=4 7180 B19R2.4200 Oc1cncc(n1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011269956 [0,2,0,0,0,0|2,0,0]=4 7181 B19R2.4200 Oc1cncc(n1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011269956 [0,2,0,0,0,0|2,0,0]=4 7182 B19R2.4200 Oc1cnnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_200010734679 [0,2,0,0,0,0|2,0,0]=4 7183 B19R2.4200 Oc1cnnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_200010734679 [0,2,0,0,0,0|2,0,0]=4 7184 B19R2.4200 [O-][n+]1ccnc(c1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100009880115 [0,2,0,0,0,0|1,0,0]=3 7185 B19R2.4200 [O-][n+]1ccnc(c1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100009880115 [0,2,0,0,0,0|1,0,0]=3 7186 B19R2.4200 [O-][n+]1ccnc(c1)NCC(O)c2ccc(cc2)O 27a_100000067596_100009880115 [0,2,0,0,0,0|1,0,0]=3 7187 B19R2.4200 [O-][n+]1ccnc(c1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100009880115 [0,2,0,0,0,0|2,0,0]=4 7188 B19R2.4200 [O-][n+]1ccnc(c1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100009880115 [0,2,0,0,0,0|2,0,0]=4 7189 B19R2.4531 O[C@@H](CNc1ccccc1)c2ccc(cc2Cl)Cl 34a_100000106764_100000761231 [0,2,0,0,0,0|1,0,0]=3 7190 B19R2.4531 O[C@@H](COc1ccccc1)c2ccc(cc2Cl)Cl 34a_100000210340_100000761231 [0,2,0,0,0,0|2,0,0]=4 7191 B19R2.4531 O[C@@H](COc1ccccc1)c2ccc(cc2Cl)Cl 7a_100000210340_100000761231 [0,2,0,0,0,0|2,0,0]=4 7192 B19R2.4531 O[C@@H](CSc1ccccc1)c2ccc(cc2Cl)Cl 62a_100000719477_100000761231 [0,2,0,0,0,0|2,0,0]=4 7193 B19R2.4531 O[C@@H](CSc1ccccc1)c2ccc(cc2Cl)Cl 62a_100000761231_100000041952 [0,2,0,0,0,0|2,0,0]=4 7194 B19R2.4531 O[C@@H](CSc1ccccn1)c2ccc(cc2Cl)Cl 62a_100000761231_100011216584 [0,2,0,0,0,0|1,0,0]=3 7195 B19R2.4531 O[C@@H](CSc1ccccn1)c2ccc(cc2Cl)Cl 62a_100011216584_100000761231 [0,2,0,0,0,0|1,0,0]=3 7196 B19R2.4531 O[C@@H](CSc1cccnn1)c2ccc(cc2Cl)Cl 62a_100000761231_100016991348 [0,2,0,0,0,0|2,0,0]=4 7197 B19R2.4531 O[C@@H](CSc1cccnn1)c2ccc(cc2Cl)Cl 62a_100016991348_100000761231 [0,2,0,0,0,0|2,0,0]=4 7198 B19R2.4531 O[C@@H](CSc1ccncn1)c2ccc(cc2Cl)Cl 62a_100000703185_100000761231 [0,2,0,0,0,0|2,0,0]=4 7199 B19R2.4531 O[C@@H](CSc1ccncn1)c2ccc(cc2Cl)Cl 62a_100000761231_100000703185 [0,2,0,0,0,0|2,0,0]=4 7200 B19R2.4531 O[C@@H](CSc1cnccn1)c2ccc(cc2Cl)Cl 62a_100000211759_100000761231 [0,2,0,0,0,0|2,0,0]=4 7201 B19R2.4531 O[C@@H](CSc1cnccn1)c2ccc(cc2Cl)Cl 62a_100000761231_100000211759 [0,2,0,0,0,0|2,0,0]=4 7202 B19R2.4531 O[C@@H](CSc1ncccn1)c2ccc(cc2Cl)Cl 62a_100000211032_100000761231 [0,2,0,0,0,0|2,0,0]=4 7203 B19R2.4531 O[C@@H](CSc1ncccn1)c2ccc(cc2Cl)Cl 62a_100000761231_100000211032 [0,2,0,0,0,0|2,0,0]=4 7204 B19R2.4531 O[C@H](CNc1ccccc1)c2ccc(cc2F)F 34a_100000106764_100000761269 [0,2,0,0,0,0|1,0,0]=3 7205 B19R2.4531 O[C@H](COc1ccccc1)c2ccc(cc2F)F 34a_100000210340_100000761269 [0,2,0,0,0,0|2,0,0]=4 7206 B19R2.4531 O[C@H](COc1ccccc1)c2ccc(cc2F)F 7a_100000210340_100000761269 [0,2,0,0,0,0|2,0,0]=4 7207 B19R2.4531 O[C@H](CSc1ccccc1)c2ccc(cc2F)F 62a_100000719477_100000761269 [0,2,0,0,0,0|2,0,0]=4 7208 B19R2.4531 O[C@H](CSc1ccccc1)c2ccc(cc2F)F 62a_100000761269_100000041952 [0,2,0,0,0,0|2,0,0]=4 7209 B19R2.4531 O[C@H](CSc1ccccn1)c2ccc(cc2F)F 62a_100000761269_100011216584 [0,2,0,0,0,0|1,0,0]=3 7210 B19R2.4531 O[C@H](CSc1ccccn1)c2ccc(cc2F)F 62a_100011216584_100000761269 [0,2,0,0,0,0|1,0,0]=3 7211 B19R2.4531 O[C@H](CSc1cccnn1)c2ccc(cc2F)F 62a_100000761269_100016991348 [0,2,0,0,0,0|2,0,0]=4 7212 B19R2.4531 O[C@H](CSc1cccnn1)c2ccc(cc2F)F 62a_100016991348_100000761269 [0,2,0,0,0,0|2,0,0]=4 7213 B19R2.4531 O[C@H](CSc1ccncn1)c2ccc(cc2F)F 62a_100000703185_100000761269 [0,2,0,0,0,0|2,0,0]=4 7214 B19R2.4531 O[C@H](CSc1ccncn1)c2ccc(cc2F)F 62a_100000761269_100000703185 [0,2,0,0,0,0|2,0,0]=4 7215 B19R2.4531 O[C@H](CSc1cnccn1)c2ccc(cc2F)F 62a_100000211759_100000761269 [0,2,0,0,0,0|2,0,0]=4 7216 B19R2.4531 O[C@H](CSc1cnccn1)c2ccc(cc2F)F 62a_100000761269_100000211759 [0,2,0,0,0,0|2,0,0]=4 7217 B19R2.4531 O[C@H](CSc1ncccn1)c2ccc(cc2F)F 62a_100000211032_100000761269 [0,2,0,0,0,0|2,0,0]=4 7218 B19R2.4531 O[C@H](CSc1ncccn1)c2ccc(cc2F)F 62a_100000761269_100000211032 [0,2,0,0,0,0|2,0,0]=4 7219 B19R2.11833 O[C@H](CNc1ccccc1)c2ccc(c(c2)F)F 34a_100000106764_100000761251 [0,2,0,0,0,0|1,0,0]=3 7220 B19R2.11833 O[C@H](COc1ccccc1)c2ccc(c(c2)F)F 34a_100000210340_100000761251 [0,2,0,0,0,0|2,0,0]=4 7221 B19R2.11833 O[C@H](COc1ccccc1)c2ccc(c(c2)F)F 7a_100000210340_100000761251 [0,2,0,0,0,0|2,0,0]=4 7222 B19R2.11833 O[C@H](CSc1ccccc1)c2ccc(c(c2)F)F 62a_100000719477_100000761251 [0,2,0,0,0,0|2,0,0]=4 7223 B19R2.11833 O[C@H](CSc1ccccc1)c2ccc(c(c2)F)F 62a_100000761251_100000041952 [0,2,0,0,0,0|2,0,0]=4 7224 B19R2.11833 O[C@H](CSc1ccccn1)c2ccc(c(c2)F)F 62a_100000761251_100011216584 [0,2,0,0,0,0|1,0,0]=3 7225 B19R2.11833 O[C@H](CSc1ccccn1)c2ccc(c(c2)F)F 62a_100011216584_100000761251 [0,2,0,0,0,0|1,0,0]=3 7226 B19R2.11833 O[C@H](CSc1cccnn1)c2ccc(c(c2)F)F 62a_100000761251_100016991348 [0,2,0,0,0,0|2,0,0]=4 7227 B19R2.11833 O[C@H](CSc1cccnn1)c2ccc(c(c2)F)F 62a_100016991348_100000761251 [0,2,0,0,0,0|2,0,0]=4 7228 B19R2.11833 O[C@H](CSc1ccncn1)c2ccc(c(c2)F)F 62a_100000703185_100000761251 [0,2,0,0,0,0|2,0,0]=4 7229 B19R2.11833 O[C@H](CSc1ccncn1)c2ccc(c(c2)F)F 62a_100000761251_100000703185 [0,2,0,0,0,0|2,0,0]=4 7230 B19R2.11833 O[C@H](CSc1cnccn1)c2ccc(c(c2)F)F 62a_100000211759_100000761251 [0,2,0,0,0,0|2,0,0]=4 7231 B19R2.11833 O[C@H](CSc1cnccn1)c2ccc(c(c2)F)F 62a_100000761251_100000211759 [0,2,0,0,0,0|2,0,0]=4 7232 B19R2.11833 O[C@H](CSc1ncccn1)c2ccc(c(c2)F)F 62a_100000211032_100000761251 [0,2,0,0,0,0|2,0,0]=4 7233 B19R2.11833 O[C@H](CSc1ncccn1)c2ccc(c(c2)F)F 62a_100000761251_100000211032 [0,2,0,0,0,0|2,0,0]=4 7234 B19R2.11870 CC(CNc1ccc(cn1)Br)c2ccc(cc2)O 27a_200015188644_100000686858 [0,2,0,0,0,0|1,0,0]=3 7235 B19R2.11870 CC(CNc1cnc(cn1)Br)c2ccc(cc2)O 27a_200015188644_100010187541 [0,2,0,0,0,0|2,0,0]=4 7236 B19R2.11870 CC(CNc1cnc(cn1)F)c2ccc(cc2)O 27a_200015188644_100009856528 [0,2,0,0,0,0|2,0,0]=4 7237 B19R2.11870 CC(CNc1ncc(cn1)Br)c2ccc(cc2)O 27a_200015188644_100000690281 [0,2,0,0,0,0|2,0,0]=4 7238 B19R2.11870 CC(CNc1ncc(cn1)Cl)c2ccc(cc2)O 27a_200015188644_100011356929 [0,2,0,0,0,0|2,0,0]=4 7239 B19R2.11870 CC(CNc1ncc(cn1)F)c2ccc(cc2)O 27a_200015188644_100000685220 [0,2,0,0,0,0|2,0,0]=4 7240 B19R2.11870 Cc1ccc(cc1)C(O)CNc2ccc(cn2)Br 27a_200020610344_100000686858 [0,2,0,0,0,0|0,0,0]=2 7241 B19R2.11870 Cc1ccc(cc1)C(O)CNc2ccc(nn2)C 27a_200020610344_100000744512 [0,2,0,0,0,0|1,0,0]=3 7242 B19R2.11870 Cc1ccc(cc1)C(O)CNc2cnc(cn2)Br 27a_200020610344_100010187541 [0,2,0,0,0,0|1,0,0]=3 7243 B19R2.11870 Cc1ccc(cc1)C(O)CNc2cnc(cn2)C 27a_200020610344_100000074397 [0,2,0,0,0,0|1,0,0]=3 7244 B19R2.11870 Cc1ccc(cc1)C(O)CNc2cnc(cn2)F 27a_200020610344_100009856528 [0,2,0,0,0,0|1,0,0]=3 7245 B19R2.11870 Cc1ccc(cc1)C(O)CNc2cnc(nn2)N 27a_200020610344_100000691435 [0,2,0,0,0,0|2,0,0]=4 7246 B19R2.11870 Cc1ccc(cc1)C(O)CNc2ncc(cn2)Br 27a_200020610344_100000690281 [0,2,0,0,0,0|1,0,0]=3 7247 B19R2.11870 Cc1ccc(cc1)C(O)CNc2ncc(cn2)C 27a_200020610344_100000061069 [0,2,0,0,0,0|1,0,0]=3 7248 B19R2.11870 Cc1ccc(cc1)C(O)CNc2ncc(cn2)Cl 27a_200020610344_100011356929 [0,2,0,0,0,0|1,0,0]=3 7249 B19R2.11870 Cc1ccc(cc1)C(O)CNc2ncc(cn2)F 27a_200020610344_100000685220 [0,2,0,0,0,0|1,0,0]=3 7250 B19R2.11870 Cc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 34a_100000124888_200011996143 [0,2,0,0,0,0|1,0,0]=3 7251 B19R2.11870 Cc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 34a_100000124888_100000720402 [0,2,0,0,0,0|1,0,0]=3 7252 B19R2.11870 Cc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 34a_100000210336_200011996143 [0,2,0,0,0,0|2,0,0]=4 7253 B19R2.11870 Cc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 7a_100000210336_200011996143 [0,2,0,0,0,0|2,0,0]=4 7254 B19R2.11870 Cc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 34a_100000210336_100000720402 [0,2,0,0,0,0|2,0,0]=4 7255 B19R2.11870 Cc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 7a_100000210336_100000720402 [0,2,0,0,0,0|2,0,0]=4 7256 B19R2.11870 Cc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_100000186775_200011996143 [0,2,0,0,0,0|2,0,0]=4 7257 B19R2.11870 Cc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000186775 [0,2,0,0,0,0|2,0,0]=4 7258 B19R2.11870 Cc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000186775_100000720402 [0,2,0,0,0,0|2,0,0]=4 7259 B19R2.11870 Cc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000186775 [0,2,0,0,0,0|2,0,0]=4 7260 B19R2.11870 Cc1ccc(nc1)OCC(O)c2ccc(cc2)Cl 34a_100000759353_200011996143 [0,2,0,0,0,0|1,0,0]=3 7261 B19R2.11870 Cc1ccc(nc1)OC[C@H](O)c2ccc(cc2)F 34a_100000759353_100000720402 [0,2,0,0,0,0|1,0,0]=3 7262 B19R2.11870 Cc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100011192072_200011996143 [0,2,0,0,0,0|1,0,0]=3 7263 B19R2.11870 Cc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000754016 [0,2,0,0,0,0|1,0,0]=3 7264 B19R2.11870 Cc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000754016 [0,2,0,0,0,0|1,0,0]=3 7265 B19R2.11870 Cc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100011192072_100000720402 [0,2,0,0,0,0|1,0,0]=3 7266 B19R2.11870 Cc1ccc(nn1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000744512 [0,2,0,0,0,0|2,0,0]=4 7267 B19R2.11870 Cc1ccc(nn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000744512 [0,2,0,0,0,0|1,0,0]=3 7268 B19R2.11870 Cc1ccc(nn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000744512 [0,2,0,0,0,0|1,0,0]=3 7269 B19R2.11870 Cc1ccc(nn1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000744512 [0,2,0,0,0,0|1,0,0]=3 7270 B19R2.11870 Cc1ccc(nn1)SCC(O)c2ccc(cc2)Cl 62a_100000744512_200011996143 [0,2,0,0,0,0|2,0,0]=4 7271 B19R2.11870 Cc1ccc(nn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000744512 [0,2,0,0,0,0|2,0,0]=4 7272 B19R2.11870 Cc1ccc(nn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000744512 [0,2,0,0,0,0|2,0,0]=4 7273 B19R2.11870 Cc1ccc(nn1)SC[C@H](O)c2ccc(cc2)F 62a_100000744512_100000720402 [0,2,0,0,0,0|2,0,0]=4 7274 B19R2.11870 Cc1cnc(cn1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000074397 [0,2,0,0,0,0|2,0,0]=4 7275 B19R2.11870 Cc1cnc(cn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000074397 [0,2,0,0,0,0|1,0,0]=3 7276 B19R2.11870 Cc1cnc(cn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000074397 [0,2,0,0,0,0|1,0,0]=3 7277 B19R2.11870 Cc1cnc(cn1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000074397 [0,2,0,0,0,0|1,0,0]=3 7278 B19R2.11870 Cc1cnc(cn1)SCC(O)c2ccc(cc2)Cl 62a_100011999403_200011996143 [0,2,0,0,0,0|2,0,0]=4 7279 B19R2.11870 Cc1cnc(cn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011999403 [0,2,0,0,0,0|2,0,0]=4 7280 B19R2.11870 Cc1cnc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011999403 [0,2,0,0,0,0|2,0,0]=4 7281 B19R2.11870 Cc1cnc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100011999403_100000720402 [0,2,0,0,0,0|2,0,0]=4 7282 B19R2.11870 Cc1cnc(nc1)NCC(C)c2ccc(cc2)O 27a_200015188644_100000061069 [0,2,0,0,0,0|2,0,0]=4 7283 B19R2.11870 Cc1cnc(nc1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000061069 [0,2,0,0,0,0|1,0,0]=3 7284 B19R2.11870 Cc1cnc(nc1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000061069 [0,2,0,0,0,0|1,0,0]=3 7285 B19R2.11870 Cc1cnc(nc1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000061069 [0,2,0,0,0,0|1,0,0]=3 7286 B19R2.11870 Cc1cnc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100000061069_200011996143 [0,2,0,0,0,0|2,0,0]=4 7287 B19R2.11870 Cc1cnc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000061069 [0,2,0,0,0,0|2,0,0]=4 7288 B19R2.11870 Cc1cnc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000061069_100000720402 [0,2,0,0,0,0|2,0,0]=4 7289 B19R2.11870 Cc1cnc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000061069 [0,2,0,0,0,0|2,0,0]=4 7290 B19R2.11870 Nc1ccc(cc1)OCC(O)c2ccc(cc2)Cl 34a_100000185829_200011996143 [0,2,0,0,0,0|2,0,0]=4 7291 B19R2.11870 Nc1ccc(cc1)OC[C@H](O)c2ccc(cc2)F 34a_100000185829_100000720402 [0,2,0,0,0,0|2,0,0]=4 7292 B19R2.11870 Nc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_100000185761_200011996143 [0,2,0,0,0,0|2,0,0]=4 7293 B19R2.11870 Nc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000185761 [0,2,0,0,0,0|2,0,0]=4 7294 B19R2.11870 Nc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000185761_100000720402 [0,2,0,0,0,0|2,0,0]=4 7295 B19R2.11870 Nc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000185761 [0,2,0,0,0,0|2,0,0]=4 7296 B19R2.11870 Nc1ccc(nc1)OCC(O)c2ccc(cc2)Cl 34a_100000729260_200011996143 [0,2,0,0,0,0|1,0,0]=3 7297 B19R2.11870 Nc1ccc(nc1)OC[C@H](O)c2ccc(cc2)F 34a_100000729260_100000720402 [0,2,0,0,0,0|1,0,0]=3 7298 B19R2.11870 Nc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100000737798_200011996143 [0,2,0,0,0,0|1,0,0]=3 7299 B19R2.11870 Nc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000737798 [0,2,0,0,0,0|1,0,0]=3 7300 B19R2.11870 Nc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000737798 [0,2,0,0,0,0|1,0,0]=3 7301 B19R2.11870 Nc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000737798_100000720402 [0,2,0,0,0,0|1,0,0]=3 7302 B19R2.11870 Nc1ccc(nn1)SCC(O)c2ccc(cc2)Cl 62a_100010219413_200011996143 [0,2,0,0,0,0|2,0,0]=4 7303 B19R2.11870 Nc1ccc(nn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100010219413 [0,2,0,0,0,0|2,0,0]=4 7304 B19R2.11870 Nc1ccc(nn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100010219413 [0,2,0,0,0,0|2,0,0]=4 7305 B19R2.11870 Nc1ccc(nn1)SC[C@H](O)c2ccc(cc2)F 62a_100010219413_100000720402 [0,2,0,0,0,0|2,0,0]=4 7306 B19R2.11870 Nc1cnc(cn1)SCC(O)c2ccc(cc2)Cl 62a_100000744751_200011996143 [0,2,0,0,0,0|2,0,0]=4 7307 B19R2.11870 Nc1cnc(cn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000744751 [0,2,0,0,0,0|2,0,0]=4 7308 B19R2.11870 Nc1cnc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000744751 [0,2,0,0,0,0|2,0,0]=4 7309 B19R2.11870 Nc1cnc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100000744751_100000720402 [0,2,0,0,0,0|2,0,0]=4 7310 B19R2.11870 Nc1cnc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100000068403_200011996143 [0,2,0,0,0,0|2,0,0]=4 7311 B19R2.11870 Nc1cnc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000068403 [0,2,0,0,0,0|2,0,0]=4 7312 B19R2.11870 Nc1cnc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000068403_100000720402 [0,2,0,0,0,0|2,0,0]=4 7313 B19R2.11870 Nc1cnc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000068403 [0,2,0,0,0,0|2,0,0]=4 7314 B19R2.11870 Nc1ncc(nn1)NCC(O)c2ccc(cc2)Br 27a_100020626992_100000691435 [0,2,0,0,0,0|2,0,0]=4 7315 B19R2.11870 Nc1ncc(nn1)NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000691435 [0,2,0,0,0,0|2,0,0]=4 7316 B19R2.11870 Nc1ncc(nn1)NCC(O)c2ccc(cc2)O 27a_100000067596_100000691435 [0,2,0,0,0,0|2,0,0]=4 7317 B19R2.11870 O=c1ccc(n[nH]1)SCC(O)c2ccc(cc2)Cl 62a_100009820020_200011996143 [0,2,0,0,0,0|2,0,0]=4 7318 B19R2.11870 O=c1ccc(n[nH]1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100009820020 [0,2,0,0,0,0|2,0,0]=4 7319 B19R2.11870 O=c1ccc(n[nH]1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100009820020 [0,2,0,0,0,0|2,0,0]=4 7320 B19R2.11870 O=c1ccc(n[nH]1)SC[C@H](O)c2ccc(cc2)F 62a_100009820020_100000720402 [0,2,0,0,0,0|2,0,0]=4 7321 B19R2.11870 OC(CNc1ccc(cc1)Br)c2ccc(cc2)Cl 2230a_100000210018_200011996143 [0,2,0,0,0,0|1,0,0]=3 7322 B19R2.11870 OC(CNc1ccc(cc1)Br)c2ccc(cc2)Cl 34a_100000210018_200011996143 [0,2,0,0,0,0|1,0,0]=3 7323 B19R2.11870 OC(CNc1ccc(cc1)Cl)c2ccc(cc2)Cl 2230a_100000210052_200011996143 [0,2,0,0,0,0|1,0,0]=3 7324 B19R2.11870 OC(CNc1ccc(cc1)Cl)c2ccc(cc2)Cl 34a_100000210052_200011996143 [0,2,0,0,0,0|1,0,0]=3 7325 B19R2.11870 OC(CNc1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000185862_200011996143 [0,2,0,0,0,0|1,0,0]=3 7326 B19R2.11870 OC(CNc1ccc(cc1)I)c2ccc(cc2)Cl 34a_100000185761_200011996143 [0,2,0,0,0,0|1,0,0]=3 7327 B19R2.11870 OC(CNc1ccc(cn1)Br)c2ccc(cc2)Br 27a_100020626992_100000686858 [0,2,0,0,0,0|0,0,0]=2 7328 B19R2.11870 OC(CNc1ccc(cn1)Br)c2ccc(cc2)Cl 27a_100000736658_100000686858 [0,2,0,0,0,0|0,0,0]=2 7329 B19R2.11870 OC(CNc1cnc(cn1)Br)c2ccc(cc2)Br 27a_100020626992_100010187541 [0,2,0,0,0,0|1,0,0]=3 7330 B19R2.11870 OC(CNc1cnc(cn1)Br)c2ccc(cc2)Cl 27a_100000736658_100010187541 [0,2,0,0,0,0|1,0,0]=3 7331 B19R2.11870 OC(CNc1cnc(cn1)F)c2ccc(cc2)Br 27a_100020626992_100009856528 [0,2,0,0,0,0|1,0,0]=3 7332 B19R2.11870 OC(CNc1cnc(cn1)F)c2ccc(cc2)Cl 27a_100000736658_100009856528 [0,2,0,0,0,0|1,0,0]=3 7333 B19R2.11870 OC(CNc1ncc(cn1)Br)c2ccc(cc2)Br 27a_100020626992_100000690281 [0,2,0,0,0,0|1,0,0]=3 7334 B19R2.11870 OC(CNc1ncc(cn1)Br)c2ccc(cc2)Cl 27a_100000736658_100000690281 [0,2,0,0,0,0|1,0,0]=3 7335 B19R2.11870 OC(CNc1ncc(cn1)Cl)c2ccc(cc2)Br 27a_100020626992_100011356929 [0,2,0,0,0,0|1,0,0]=3 7336 B19R2.11870 OC(CNc1ncc(cn1)Cl)c2ccc(cc2)Cl 27a_100000736658_100011356929 [0,2,0,0,0,0|1,0,0]=3 7337 B19R2.11870 OC(CNc1ncc(cn1)F)c2ccc(cc2)Br 27a_100020626992_100000685220 [0,2,0,0,0,0|1,0,0]=3 7338 B19R2.11870 OC(CNc1ncc(cn1)F)c2ccc(cc2)Cl 27a_100000736658_100000685220 [0,2,0,0,0,0|1,0,0]=3 7339 B19R2.11870 OC(COc1ccc(cc1)Br)c2ccc(cc2)Cl 34a_100000185759_200011996143 [0,2,0,0,0,0|2,0,0]=4 7340 B19R2.11870 OC(COc1ccc(cc1)Br)c2ccc(cc2)Cl 7a_100000185759_200011996143 [0,2,0,0,0,0|2,0,0]=4 7341 B19R2.11870 OC(COc1ccc(cc1)Cl)c2ccc(cc2)Cl 34a_100000210216_200011996143 [0,2,0,0,0,0|2,0,0]=4 7342 B19R2.11870 OC(COc1ccc(cc1)Cl)c2ccc(cc2)Cl 7a_100000210216_200011996143 [0,2,0,0,0,0|2,0,0]=4 7343 B19R2.11870 OC(COc1ccc(cc1)F)c2ccc(cc2)Cl 34a_100000210339_200011996143 [0,2,0,0,0,0|2,0,0]=4 7344 B19R2.11870 OC(COc1ccc(cc1)I)c2ccc(cc2)Cl 34a_100000212066_200011996143 [0,2,0,0,0,0|2,0,0]=4 7345 B19R2.11870 OC(COc1ccc(cc1)I)c2ccc(cc2)Cl 7a_100000212066_200011996143 [0,2,0,0,0,0|2,0,0]=4 7346 B19R2.11870 OC(COc1ccc(cn1)Cl)c2ccc(cc2)Cl 34a_100011215309_200011996143 [0,2,0,0,0,0|1,0,0]=3 7347 B19R2.11870 OC(COc1ccc(cn1)F)c2ccc(cc2)Cl 34a_100000742473_200011996143 [0,2,0,0,0,0|1,0,0]=3 7348 B19R2.11870 OC(COc1cnc(cn1)Br)c2ccc(cc2)Cl 34a_100011934580_200011996143 [0,2,0,0,0,0|2,0,0]=4 7349 B19R2.11870 OC(COc1cnc(cn1)Cl)c2ccc(cc2)Cl 34a_100015839800_200011996143 [0,2,0,0,0,0|2,0,0]=4 7350 B19R2.11870 OC(COc1ncc(cn1)F)c2ccc(cc2)Cl 34a_100011934040_200011996143 [0,2,0,0,0,0|2,0,0]=4 7351 B19R2.11870 OC(CSc1ccc(cc1)Br)c2ccc(cc2)Cl 62a_100000752885_200011996143 [0,2,0,0,0,0|2,0,0]=4 7352 B19R2.11870 OC(CSc1ccc(cc1)Br)c2ccc(cc2)Cl 62a_200011996143_100000752885 [0,2,0,0,0,0|2,0,0]=4 7353 B19R2.11870 OC(CSc1ccc(cc1)Cl)c2ccc(cc2)Cl 62a_100000755918_200011996143 [0,2,0,0,0,0|2,0,0]=4 7354 B19R2.11870 OC(CSc1ccc(cc1)Cl)c2ccc(cc2)Cl 62a_200011996143_100000755918 [0,2,0,0,0,0|2,0,0]=4 7355 B19R2.11870 OC(CSc1ccc(cc1)F)c2ccc(cc2)Cl 62a_100000211213_200011996143 [0,2,0,0,0,0|2,0,0]=4 7356 B19R2.11870 OC(CSc1ccc(cc1)F)c2ccc(cc2)Cl 62a_200011996143_100000211213 [0,2,0,0,0,0|2,0,0]=4 7357 B19R2.11870 OC(CSc1ccc(cn1)Br)c2ccc(cc2)Cl 62a_100000686858_200011996143 [0,2,0,0,0,0|1,0,0]=3 7358 B19R2.11870 OC(CSc1ccc(cn1)Br)c2ccc(cc2)Cl 62a_200011996143_100000686858 [0,2,0,0,0,0|1,0,0]=3 7359 B19R2.11870 OC(CSc1ccc(cn1)Cl)c2ccc(cc2)Cl 62a_100011356976_200011996143 [0,2,0,0,0,0|1,0,0]=3 7360 B19R2.11870 OC(CSc1ccc(cn1)Cl)c2ccc(cc2)Cl 62a_200011996143_100011356976 [0,2,0,0,0,0|1,0,0]=3 7361 B19R2.11870 OC(CSc1ccc(cn1)F)c2ccc(cc2)Cl 62a_100000744514_200011996143 [0,2,0,0,0,0|1,0,0]=3 7362 B19R2.11870 OC(CSc1ccc(cn1)F)c2ccc(cc2)Cl 62a_200011996143_100000744514 [0,2,0,0,0,0|1,0,0]=3 7363 B19R2.11870 OC(CSc1ccc(nn1)Cl)c2ccc(cc2)Cl 62a_100000068654_200011996143 [0,2,0,0,0,0|2,0,0]=4 7364 B19R2.11870 OC(CSc1ccc(nn1)Cl)c2ccc(cc2)Cl 62a_200011996143_100000068654 [0,2,0,0,0,0|2,0,0]=4 7365 B19R2.11870 OC(CSc1cnc(cn1)Br)c2ccc(cc2)Cl 62a_100010187541_200011996143 [0,2,0,0,0,0|2,0,0]=4 7366 B19R2.11870 OC(CSc1cnc(cn1)Br)c2ccc(cc2)Cl 62a_200011996143_100010187541 [0,2,0,0,0,0|2,0,0]=4 7367 B19R2.11870 OC(CSc1cnc(cn1)Cl)c2ccc(cc2)Cl 62a_100010214907_200011996143 [0,2,0,0,0,0|2,0,0]=4 7368 B19R2.11870 OC(CSc1cnc(cn1)Cl)c2ccc(cc2)Cl 62a_200011996143_100010214907 [0,2,0,0,0,0|2,0,0]=4 7369 B19R2.11870 OC(CSc1cnc(cn1)F)c2ccc(cc2)Cl 62a_100009856528_200011996143 [0,2,0,0,0,0|2,0,0]=4 7370 B19R2.11870 OC(CSc1cnc(cn1)F)c2ccc(cc2)Cl 62a_200011996143_100009856528 [0,2,0,0,0,0|2,0,0]=4 7371 B19R2.11870 OC(CSc1ncc(cn1)Br)c2ccc(cc2)Cl 62a_100000690281_200011996143 [0,2,0,0,0,0|2,0,0]=4 7372 B19R2.11870 OC(CSc1ncc(cn1)Br)c2ccc(cc2)Cl 62a_200011996143_100000690281 [0,2,0,0,0,0|2,0,0]=4 7373 B19R2.11870 OC(CSc1ncc(cn1)Cl)c2ccc(cc2)Cl 62a_100011356929_200011996143 [0,2,0,0,0,0|2,0,0]=4 7374 B19R2.11870 OC(CSc1ncc(cn1)Cl)c2ccc(cc2)Cl 62a_200011996143_100011356929 [0,2,0,0,0,0|2,0,0]=4 7375 B19R2.11870 OC(CSc1ncc(cn1)F)c2ccc(cc2)Cl 62a_100000685220_200011996143 [0,2,0,0,0,0|2,0,0]=4 7376 B19R2.11870 OC(CSc1ncc(cn1)F)c2ccc(cc2)Cl 62a_200011996143_100000685220 [0,2,0,0,0,0|2,0,0]=4 7377 B19R2.11870 O[C@@H](CNc1ccc(cc1)Br)c2ccc(cc2)F 2230a_100000210018_100000720402 [0,2,0,0,0,0|1,0,0]=3 7378 B19R2.11870 O[C@@H](CNc1ccc(cc1)Br)c2ccc(cc2)F 34a_100000210018_100000720402 [0,2,0,0,0,0|1,0,0]=3 7379 B19R2.11870 O[C@@H](CNc1ccc(cc1)Cl)c2ccc(cc2)F 2230a_100000210052_100000720402 [0,2,0,0,0,0|1,0,0]=3 7380 B19R2.11870 O[C@@H](CNc1ccc(cc1)Cl)c2ccc(cc2)F 34a_100000210052_100000720402 [0,2,0,0,0,0|1,0,0]=3 7381 B19R2.11870 O[C@@H](CNc1ccc(cc1)F)c2ccc(cc2)F 34a_100000185862_100000720402 [0,2,0,0,0,0|1,0,0]=3 7382 B19R2.11870 O[C@@H](CNc1ccc(cc1)I)c2ccc(cc2)F 34a_100000185761_100000720402 [0,2,0,0,0,0|1,0,0]=3 7383 B19R2.11870 O[C@@H](COc1ccc(cc1)Br)c2ccc(cc2)F 34a_100000185759_100000720402 [0,2,0,0,0,0|2,0,0]=4 7384 B19R2.11870 O[C@@H](COc1ccc(cc1)Br)c2ccc(cc2)F 7a_100000185759_100000720402 [0,2,0,0,0,0|2,0,0]=4 7385 B19R2.11870 O[C@@H](COc1ccc(cc1)Cl)c2ccc(cc2)F 34a_100000210216_100000720402 [0,2,0,0,0,0|2,0,0]=4 7386 B19R2.11870 O[C@@H](COc1ccc(cc1)Cl)c2ccc(cc2)F 7a_100000210216_100000720402 [0,2,0,0,0,0|2,0,0]=4 7387 B19R2.11870 O[C@@H](COc1ccc(cc1)F)c2ccc(cc2)F 34a_100000210339_100000720402 [0,2,0,0,0,0|2,0,0]=4 7388 B19R2.11870 O[C@@H](COc1ccc(cc1)I)c2ccc(cc2)F 34a_100000212066_100000720402 [0,2,0,0,0,0|2,0,0]=4 7389 B19R2.11870 O[C@@H](COc1ccc(cc1)I)c2ccc(cc2)F 7a_100000212066_100000720402 [0,2,0,0,0,0|2,0,0]=4 7390 B19R2.11870 O[C@@H](COc1ccc(cn1)Cl)c2ccc(cc2)F 34a_100011215309_100000720402 [0,2,0,0,0,0|1,0,0]=3 7391 B19R2.11870 O[C@@H](COc1ccc(cn1)F)c2ccc(cc2)F 34a_100000742473_100000720402 [0,2,0,0,0,0|1,0,0]=3 7392 B19R2.11870 O[C@@H](COc1cnc(cn1)Br)c2ccc(cc2)F 34a_100011934580_100000720402 [0,2,0,0,0,0|2,0,0]=4 7393 B19R2.11870 O[C@@H](COc1cnc(cn1)Cl)c2ccc(cc2)F 34a_100015839800_100000720402 [0,2,0,0,0,0|2,0,0]=4 7394 B19R2.11870 O[C@@H](COc1ncc(cn1)F)c2ccc(cc2)F 34a_100011934040_100000720402 [0,2,0,0,0,0|2,0,0]=4 7395 B19R2.11870 O[C@@H](CSc1ccc(cc1)Br)c2ccc(cc2)F 62a_100000720402_100000752885 [0,2,0,0,0,0|2,0,0]=4 7396 B19R2.11870 O[C@@H](CSc1ccc(cc1)Br)c2ccc(cc2)F 62a_100000752885_100000720402 [0,2,0,0,0,0|2,0,0]=4 7397 B19R2.11870 O[C@@H](CSc1ccc(cc1)Cl)c2ccc(cc2)F 62a_100000720402_100000755918 [0,2,0,0,0,0|2,0,0]=4 7398 B19R2.11870 O[C@@H](CSc1ccc(cc1)Cl)c2ccc(cc2)F 62a_100000755918_100000720402 [0,2,0,0,0,0|2,0,0]=4 7399 B19R2.11870 O[C@@H](CSc1ccc(cc1)F)c2ccc(cc2)F 62a_100000211213_100000720402 [0,2,0,0,0,0|2,0,0]=4 7400 B19R2.11870 O[C@@H](CSc1ccc(cc1)F)c2ccc(cc2)F 62a_100000720402_100000211213 [0,2,0,0,0,0|2,0,0]=4 7401 B19R2.11870 O[C@@H](CSc1ccc(cn1)Br)c2ccc(cc2)F 62a_100000686858_100000720402 [0,2,0,0,0,0|1,0,0]=3 7402 B19R2.11870 O[C@@H](CSc1ccc(cn1)Br)c2ccc(cc2)F 62a_100000720402_100000686858 [0,2,0,0,0,0|1,0,0]=3 7403 B19R2.11870 O[C@@H](CSc1ccc(cn1)Cl)c2ccc(cc2)F 62a_100000720402_100011356976 [0,2,0,0,0,0|1,0,0]=3 7404 B19R2.11870 O[C@@H](CSc1ccc(cn1)Cl)c2ccc(cc2)F 62a_100011356976_100000720402 [0,2,0,0,0,0|1,0,0]=3 7405 B19R2.11870 O[C@@H](CSc1ccc(cn1)F)c2ccc(cc2)F 62a_100000720402_100000744514 [0,2,0,0,0,0|1,0,0]=3 7406 B19R2.11870 O[C@@H](CSc1ccc(cn1)F)c2ccc(cc2)F 62a_100000744514_100000720402 [0,2,0,0,0,0|1,0,0]=3 7407 B19R2.11870 O[C@@H](CSc1ccc(nn1)Cl)c2ccc(cc2)F 62a_100000068654_100000720402 [0,2,0,0,0,0|2,0,0]=4 7408 B19R2.11870 O[C@@H](CSc1ccc(nn1)Cl)c2ccc(cc2)F 62a_100000720402_100000068654 [0,2,0,0,0,0|2,0,0]=4 7409 B19R2.11870 O[C@@H](CSc1cnc(cn1)Br)c2ccc(cc2)F 62a_100000720402_100010187541 [0,2,0,0,0,0|2,0,0]=4 7410 B19R2.11870 O[C@@H](CSc1cnc(cn1)Br)c2ccc(cc2)F 62a_100010187541_100000720402 [0,2,0,0,0,0|2,0,0]=4 7411 B19R2.11870 O[C@@H](CSc1cnc(cn1)Cl)c2ccc(cc2)F 62a_100000720402_100010214907 [0,2,0,0,0,0|2,0,0]=4 7412 B19R2.11870 O[C@@H](CSc1cnc(cn1)Cl)c2ccc(cc2)F 62a_100010214907_100000720402 [0,2,0,0,0,0|2,0,0]=4 7413 B19R2.11870 O[C@@H](CSc1cnc(cn1)F)c2ccc(cc2)F 62a_100000720402_100009856528 [0,2,0,0,0,0|2,0,0]=4 7414 B19R2.11870 O[C@@H](CSc1cnc(cn1)F)c2ccc(cc2)F 62a_100009856528_100000720402 [0,2,0,0,0,0|2,0,0]=4 7415 B19R2.11870 O[C@@H](CSc1ncc(cn1)Br)c2ccc(cc2)F 62a_100000690281_100000720402 [0,2,0,0,0,0|2,0,0]=4 7416 B19R2.11870 O[C@@H](CSc1ncc(cn1)Br)c2ccc(cc2)F 62a_100000720402_100000690281 [0,2,0,0,0,0|2,0,0]=4 7417 B19R2.11870 O[C@@H](CSc1ncc(cn1)Cl)c2ccc(cc2)F 62a_100000720402_100011356929 [0,2,0,0,0,0|2,0,0]=4 7418 B19R2.11870 O[C@@H](CSc1ncc(cn1)Cl)c2ccc(cc2)F 62a_100011356929_100000720402 [0,2,0,0,0,0|2,0,0]=4 7419 B19R2.11870 O[C@@H](CSc1ncc(cn1)F)c2ccc(cc2)F 62a_100000685220_100000720402 [0,2,0,0,0,0|2,0,0]=4 7420 B19R2.11870 O[C@@H](CSc1ncc(cn1)F)c2ccc(cc2)F 62a_100000720402_100000685220 [0,2,0,0,0,0|2,0,0]=4 7421 B19R2.11870 Oc1ccc(cc1)C(O)CNc2ccc(cn2)Br 27a_100000067596_100000686858 [0,2,0,0,0,0|0,0,0]=2 7422 B19R2.11870 Oc1ccc(cc1)C(O)CNc2cnc(cn2)Br 27a_100000067596_100010187541 [0,2,0,0,0,0|1,0,0]=3 7423 B19R2.11870 Oc1ccc(cc1)C(O)CNc2cnc(cn2)F 27a_100000067596_100009856528 [0,2,0,0,0,0|1,0,0]=3 7424 B19R2.11870 Oc1ccc(cc1)C(O)CNc2ncc(cn2)Br 27a_100000067596_100000690281 [0,2,0,0,0,0|1,0,0]=3 7425 B19R2.11870 Oc1ccc(cc1)C(O)CNc2ncc(cn2)Cl 27a_100000067596_100011356929 [0,2,0,0,0,0|1,0,0]=3 7426 B19R2.11870 Oc1ccc(cc1)C(O)CNc2ncc(cn2)F 27a_100000067596_100000685220 [0,2,0,0,0,0|1,0,0]=3 7427 B19R2.11870 Oc1ccc(cc1)NCC(O)c2ccc(cc2)Cl 34a_100000185829_200011996143 [0,2,0,0,0,0|1,0,0]=3 7428 B19R2.11870 Oc1ccc(cc1)NC[C@H](O)c2ccc(cc2)F 34a_100000185829_100000720402 [0,2,0,0,0,0|1,0,0]=3 7429 B19R2.11870 Oc1ccc(cc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000185759 [0,2,0,0,0,0|2,0,0]=4 7430 B19R2.11870 Oc1ccc(cc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000185759 [0,2,0,0,0,0|2,0,0]=4 7431 B19R2.11870 Oc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100000685995_200011996143 [0,2,0,0,0,0|1,0,0]=3 7432 B19R2.11870 Oc1ccc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000744096 [0,2,0,0,0,0|1,0,0]=3 7433 B19R2.11870 Oc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000685995_100000720402 [0,2,0,0,0,0|1,0,0]=3 7434 B19R2.11870 Oc1ccc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000744096 [0,2,0,0,0,0|1,0,0]=3 7435 B19R2.11870 Oc1cnc(cn1)SCC(O)c2ccc(cc2)Cl 62a_100011934580_200011996143 [0,2,0,0,0,0|2,0,0]=4 7436 B19R2.11870 Oc1cnc(cn1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100015839800 [0,2,0,0,0,0|2,0,0]=4 7437 B19R2.11870 Oc1cnc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100015839800 [0,2,0,0,0,0|2,0,0]=4 7438 B19R2.11870 Oc1cnc(cn1)SC[C@H](O)c2ccc(cc2)F 62a_100011934580_100000720402 [0,2,0,0,0,0|2,0,0]=4 7439 B19R2.11870 Oc1cnc(nc1)SCC(O)c2ccc(cc2)Cl 62a_100000730009_200011996143 [0,2,0,0,0,0|2,0,0]=4 7440 B19R2.11870 Oc1cnc(nc1)SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000092845 [0,2,0,0,0,0|2,0,0]=4 7441 B19R2.11870 Oc1cnc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000092845 [0,2,0,0,0,0|2,0,0]=4 7442 B19R2.11870 Oc1cnc(nc1)SC[C@H](O)c2ccc(cc2)F 62a_100000730009_100000720402 [0,2,0,0,0,0|2,0,0]=4 7443 B19R2.12067 CC(CNc1ncccc1Br)c2ccc(cc2)O 27a_200015188644_100000696092 [0,2,0,0,0,0|1,0,0]=3 7444 B19R2.12067 CC(CNc1nccnc1F)c2ccc(cc2)O 27a_200015188644_200010125657 [0,2,0,0,0,0|2,0,0]=4 7445 B19R2.12067 CC(CNc1ncncc1F)c2ccc(cc2)O 27a_200015188644_100000069762 [0,2,0,0,0,0|2,0,0]=4 7446 B19R2.12067 CC(CNc1ncncc1N)c2ccc(cc2)O 27a_200015188644_100000709731 [0,2,0,0,0,0|2,0,0]=4 7447 B19R2.12067 C[n+]1ccccc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000212160 [0,2,0,0,0,0|1,0,1]=4 7448 B19R2.12067 C[n+]1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000212160 [0,2,0,0,0,0|1,0,1]=4 7449 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ccncc2Br 27a_200020610344_100000726257 [0,2,0,0,0,0|2,0,0]=4 7450 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ccncc2C 27a_200020610344_100000765111 [0,2,0,0,0,0|2,0,0]=4 7451 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ccncc2F 27a_200020610344_100000035921 [0,2,0,0,0,0|2,0,0]=4 7452 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ncccc2Br 27a_200020610344_100000696092 [0,2,0,0,0,0|0,0,0]=2 7453 B19R2.12067 Cc1ccc(cc1)C(O)CNc2nccnc2C 27a_200020610344_100011999405 [0,2,0,0,0,0|1,0,0]=3 7454 B19R2.12067 Cc1ccc(cc1)C(O)CNc2nccnc2F 27a_200020610344_200010125657 [0,2,0,0,0,0|1,0,0]=3 7455 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ncncc2C 27a_200020610344_100011998708 [0,2,0,0,0,0|1,0,0]=3 7456 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ncncc2F 27a_200020610344_100000069762 [0,2,0,0,0,0|1,0,0]=3 7457 B19R2.12067 Cc1ccc(cc1)C(O)CNc2ncncc2N 27a_200020610344_100000709731 [0,2,0,0,0,0|1,0,0]=3 7458 B19R2.12067 Cc1ccc(cc1)C(O)CNc2nnccc2C 27a_200020610344_100000089043 [0,2,0,0,0,0|1,0,0]=3 7459 B19R2.12067 Cc1ccccc1NCC(O)c2ccc(cc2)Cl 34a_100015192222_200011996143 [0,2,0,0,0,0|1,0,0]=3 7460 B19R2.12067 Cc1ccccc1NC[C@H](O)c2ccc(cc2)F 34a_100015192222_100000720402 [0,2,0,0,0,0|1,0,0]=3 7461 B19R2.12067 Cc1ccccc1OCC(O)c2ccc(cc2)Cl 34a_100000210338_200011996143 [0,2,0,0,0,0|2,0,0]=4 7462 B19R2.12067 Cc1ccccc1OCC(O)c2ccc(cc2)Cl 7a_100000210338_200011996143 [0,2,0,0,0,0|2,0,0]=4 7463 B19R2.12067 Cc1ccccc1OC[C@H](O)c2ccc(cc2)F 34a_100000210338_100000720402 [0,2,0,0,0,0|2,0,0]=4 7464 B19R2.12067 Cc1ccccc1OC[C@H](O)c2ccc(cc2)F 7a_100000210338_100000720402 [0,2,0,0,0,0|2,0,0]=4 7465 B19R2.12067 Cc1ccccc1SCC(O)c2ccc(cc2)Cl 62a_100000210755_200011996143 [0,2,0,0,0,0|2,0,0]=4 7466 B19R2.12067 Cc1ccccc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000210755 [0,2,0,0,0,0|2,0,0]=4 7467 B19R2.12067 Cc1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000210755_100000720402 [0,2,0,0,0,0|2,0,0]=4 7468 B19R2.12067 Cc1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000210755 [0,2,0,0,0,0|2,0,0]=4 7469 B19R2.12067 Cc1cccnc1SCC(O)c2ccc(cc2)Cl 62a_100000751373_200011996143 [0,2,0,0,0,0|1,0,0]=3 7470 B19R2.12067 Cc1cccnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000751373 [0,2,0,0,0,0|1,0,0]=3 7471 B19R2.12067 Cc1cccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000751373 [0,2,0,0,0,0|1,0,0]=3 7472 B19R2.12067 Cc1cccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000751373_100000720402 [0,2,0,0,0,0|1,0,0]=3 7473 B19R2.12067 Cc1ccnnc1NCC(C)c2ccc(cc2)O 27a_200015188644_100000089043 [0,2,0,0,0,0|2,0,0]=4 7474 B19R2.12067 Cc1ccnnc1NCC(O)c2ccc(cc2)Br 27a_100020626992_100000089043 [0,2,0,0,0,0|1,0,0]=3 7475 B19R2.12067 Cc1ccnnc1NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000089043 [0,2,0,0,0,0|1,0,0]=3 7476 B19R2.12067 Cc1ccnnc1NCC(O)c2ccc(cc2)O 27a_100000067596_100000089043 [0,2,0,0,0,0|1,0,0]=3 7477 B19R2.12067 Cc1ccnnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000089043 [0,2,0,0,0,0|2,0,0]=4 7478 B19R2.12067 Cc1ccnnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000089043 [0,2,0,0,0,0|2,0,0]=4 7479 B19R2.12067 Cc1cnccc1NCC(O)c2ccc(cc2)Br 27a_100020626992_100000765111 [0,2,0,0,0,0|2,0,0]=4 7480 B19R2.12067 Cc1cnccc1NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000765111 [0,2,0,0,0,0|2,0,0]=4 7481 B19R2.12067 Cc1cnccc1NCC(O)c2ccc(cc2)O 27a_100000067596_100000765111 [0,2,0,0,0,0|2,0,0]=4 7482 B19R2.12067 Cc1cncnc1NCC(C)c2ccc(cc2)O 27a_200015188644_100011998708 [0,2,0,0,0,0|2,0,0]=4 7483 B19R2.12067 Cc1cncnc1NCC(O)c2ccc(cc2)Br 27a_100020626992_100011998708 [0,2,0,0,0,0|1,0,0]=3 7484 B19R2.12067 Cc1cncnc1NCC(O)c2ccc(cc2)Cl 27a_100000736658_100011998708 [0,2,0,0,0,0|1,0,0]=3 7485 B19R2.12067 Cc1cncnc1NCC(O)c2ccc(cc2)O 27a_100000067596_100011998708 [0,2,0,0,0,0|1,0,0]=3 7486 B19R2.12067 Cc1cncnc1SCC(O)c2ccc(cc2)Cl 62a_100011998708_200011996143 [0,2,0,0,0,0|2,0,0]=4 7487 B19R2.12067 Cc1cncnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011998708 [0,2,0,0,0,0|2,0,0]=4 7488 B19R2.12067 Cc1cncnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011998708 [0,2,0,0,0,0|2,0,0]=4 7489 B19R2.12067 Cc1cncnc1SC[C@H](O)c2ccc(cc2)F 62a_100011998708_100000720402 [0,2,0,0,0,0|2,0,0]=4 7490 B19R2.12067 Cc1nccnc1NCC(C)c2ccc(cc2)O 27a_200015188644_100011999405 [0,2,0,0,0,0|2,0,0]=4 7491 B19R2.12067 Cc1nccnc1NCC(O)c2ccc(cc2)Br 27a_100020626992_100011999405 [0,2,0,0,0,0|1,0,0]=3 7492 B19R2.12067 Cc1nccnc1NCC(O)c2ccc(cc2)Cl 27a_100000736658_100011999405 [0,2,0,0,0,0|1,0,0]=3 7493 B19R2.12067 Cc1nccnc1NCC(O)c2ccc(cc2)O 27a_100000067596_100011999405 [0,2,0,0,0,0|1,0,0]=3 7494 B19R2.12067 Cc1nccnc1OCC(O)c2ccc(cc2)Cl 34a_100000766352_200011996143 [0,2,0,0,0,0|2,0,0]=4 7495 B19R2.12067 Cc1nccnc1OC[C@H](O)c2ccc(cc2)F 34a_100000766352_100000720402 [0,2,0,0,0,0|2,0,0]=4 7496 B19R2.12067 Cc1nccnc1SCC(O)c2ccc(cc2)Cl 62a_100011999405_200011996143 [0,2,0,0,0,0|2,0,0]=4 7497 B19R2.12067 Cc1nccnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100011999405 [0,2,0,0,0,0|2,0,0]=4 7498 B19R2.12067 Cc1nccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100011999405 [0,2,0,0,0,0|2,0,0]=4 7499 B19R2.12067 Cc1nccnc1SC[C@H](O)c2ccc(cc2)F 62a_100011999405_100000720402 [0,2,0,0,0,0|2,0,0]=4 7500 B19R2.12067 Nc1ccccc1OCC(O)c2ccc(cc2)Cl 34a_100000185747_200011996143 [0,2,0,0,0,0|2,0,0]=4 7501 B19R2.12067 Nc1ccccc1OCC(O)c2ccc(cc2)Cl 7a_100000185747_200011996143 [0,2,0,0,0,0|2,0,0]=4 7502 B19R2.12067 Nc1ccccc1OC[C@H](O)c2ccc(cc2)F 34a_100000185747_100000720402 [0,2,0,0,0,0|2,0,0]=4 7503 B19R2.12067 Nc1ccccc1OC[C@H](O)c2ccc(cc2)F 7a_100000185747_100000720402 [0,2,0,0,0,0|2,0,0]=4 7504 B19R2.12067 Nc1ccccc1SCC(O)c2ccc(cc2)Cl 62a_100000210017_200011996143 [0,2,0,0,0,0|2,0,0]=4 7505 B19R2.12067 Nc1ccccc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000210017 [0,2,0,0,0,0|2,0,0]=4 7506 B19R2.12067 Nc1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000210017_100000720402 [0,2,0,0,0,0|2,0,0]=4 7507 B19R2.12067 Nc1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000210017 [0,2,0,0,0,0|2,0,0]=4 7508 B19R2.12067 Nc1cccnc1OCC(O)c2ccc(cc2)Cl 34a_100000746358_200011996143 [0,2,0,0,0,0|1,0,0]=3 7509 B19R2.12067 Nc1cccnc1OC[C@H](O)c2ccc(cc2)F 34a_100000746358_100000720402 [0,2,0,0,0,0|1,0,0]=3 7510 B19R2.12067 Nc1cccnc1SCC(O)c2ccc(cc2)Cl 62a_100000688686_200011996143 [0,2,0,0,0,0|1,0,0]=3 7511 B19R2.12067 Nc1cccnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000688686 [0,2,0,0,0,0|1,0,0]=3 7512 B19R2.12067 Nc1cccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000688686_100000720402 [0,2,0,0,0,0|1,0,0]=3 7513 B19R2.12067 Nc1cccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000688686 [0,2,0,0,0,0|1,0,0]=3 7514 B19R2.12067 Nc1cncnc1NCC(O)c2ccc(cc2)Br 27a_100020626992_100000709731 [0,2,0,0,0,0|1,0,0]=3 7515 B19R2.12067 Nc1cncnc1NCC(O)c2ccc(cc2)Cl 27a_100000736658_100000709731 [0,2,0,0,0,0|1,0,0]=3 7516 B19R2.12067 Nc1cncnc1NCC(O)c2ccc(cc2)O 27a_100000067596_100000709731 [0,2,0,0,0,0|1,0,0]=3 7517 B19R2.12067 Nc1cncnc1SCC(O)c2ccc(cc2)Cl 62a_100000709731_200011996143 [0,2,0,0,0,0|2,0,0]=4 7518 B19R2.12067 Nc1cncnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000709731 [0,2,0,0,0,0|2,0,0]=4 7519 B19R2.12067 Nc1cncnc1SC[C@H](O)c2ccc(cc2)F 62a_100000709731_100000720402 [0,2,0,0,0,0|2,0,0]=4 7520 B19R2.12067 Nc1cncnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000709731 [0,2,0,0,0,0|2,0,0]=4 7521 B19R2.12067 Nc1nccnc1SCC(O)c2ccc(cc2)Cl 62a_100000747729_200011996143 [0,2,0,0,0,0|2,0,0]=4 7522 B19R2.12067 Nc1nccnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000747729 [0,2,0,0,0,0|2,0,0]=4 7523 B19R2.12067 Nc1nccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000747729 [0,2,0,0,0,0|2,0,0]=4 7524 B19R2.12067 Nc1nccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000747729_100000720402 [0,2,0,0,0,0|2,0,0]=4 7525 B19R2.12067 O=c1[nH]ccnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000763361 [0,2,0,0,0,0|2,0,0]=4 7526 B19R2.12067 O=c1[nH]ccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000763361 [0,2,0,0,0,0|2,0,0]=4 7527 B19R2.12067 OC(CNc1ccccc1Br)c2ccc(cc2)Cl 34a_100000210017_200011996143 [0,2,0,0,0,0|1,0,0]=3 7528 B19R2.12067 OC(CNc1ccccc1Cl)c2ccc(cc2)Cl 34a_100000185783_200011996143 [0,2,0,0,0,0|1,0,0]=3 7529 B19R2.12067 OC(CNc1ccccc1F)c2ccc(cc2)Cl 34a_100000210422_200011996143 [0,2,0,0,0,0|1,0,0]=3 7530 B19R2.12067 OC(CNc1ccccc1I)c2ccc(cc2)Cl 34a_100000210053_200011996143 [0,2,0,0,0,0|1,0,0]=3 7531 B19R2.12067 OC(CNc1ccncc1Br)c2ccc(cc2)Br 27a_100020626992_100000726257 [0,2,0,0,0,0|2,0,0]=4 7532 B19R2.12067 OC(CNc1ccncc1Br)c2ccc(cc2)Cl 27a_100000736658_100000726257 [0,2,0,0,0,0|2,0,0]=4 7533 B19R2.12067 OC(CNc1ccncc1F)c2ccc(cc2)Br 27a_100020626992_100000035921 [0,2,0,0,0,0|2,0,0]=4 7534 B19R2.12067 OC(CNc1ccncc1F)c2ccc(cc2)Cl 27a_100000736658_100000035921 [0,2,0,0,0,0|2,0,0]=4 7535 B19R2.12067 OC(CNc1ncccc1Br)c2ccc(cc2)Br 27a_100020626992_100000696092 [0,2,0,0,0,0|0,0,0]=2 7536 B19R2.12067 OC(CNc1ncccc1Br)c2ccc(cc2)Cl 27a_100000736658_100000696092 [0,2,0,0,0,0|0,0,0]=2 7537 B19R2.12067 OC(CNc1nccnc1F)c2ccc(cc2)Br 27a_100020626992_200010125657 [0,2,0,0,0,0|1,0,0]=3 7538 B19R2.12067 OC(CNc1nccnc1F)c2ccc(cc2)Cl 27a_100000736658_200010125657 [0,2,0,0,0,0|1,0,0]=3 7539 B19R2.12067 OC(CNc1ncncc1F)c2ccc(cc2)Br 27a_100020626992_100000069762 [0,2,0,0,0,0|1,0,0]=3 7540 B19R2.12067 OC(CNc1ncncc1F)c2ccc(cc2)Cl 27a_100000736658_100000069762 [0,2,0,0,0,0|1,0,0]=3 7541 B19R2.12067 OC(COc1ccccc1Br)c2ccc(cc2)Cl 34a_100000181306_200011996143 [0,2,0,0,0,0|2,0,0]=4 7542 B19R2.12067 OC(COc1ccccc1Br)c2ccc(cc2)Cl 7a_100000181306_200011996143 [0,2,0,0,0,0|2,0,0]=4 7543 B19R2.12067 OC(COc1ccccc1Cl)c2ccc(cc2)Cl 34a_100000210172_200011996143 [0,2,0,0,0,0|2,0,0]=4 7544 B19R2.12067 OC(COc1ccccc1Cl)c2ccc(cc2)Cl 7a_100000210172_200011996143 [0,2,0,0,0,0|2,0,0]=4 7545 B19R2.12067 OC(COc1ccccc1F)c2ccc(cc2)Cl 34a_100000210171_200011996143 [0,2,0,0,0,0|2,0,0]=4 7546 B19R2.12067 OC(COc1ccccc1F)c2ccc(cc2)Cl 7a_100000210171_200011996143 [0,2,0,0,0,0|2,0,0]=4 7547 B19R2.12067 OC(COc1ccccc1I)c2ccc(cc2)Cl 34a_100000739446_200011996143 [0,2,0,0,0,0|2,0,0]=4 7548 B19R2.12067 OC(COc1ccccc1I)c2ccc(cc2)Cl 7a_100000739446_200011996143 [0,2,0,0,0,0|2,0,0]=4 7549 B19R2.12067 OC(COc1ncccc1Cl)c2ccc(cc2)Cl 34a_100011290957_200011996143 [0,2,0,0,0,0|1,0,0]=3 7550 B19R2.12067 OC(COc1ncccc1F)c2ccc(cc2)Cl 34a_100011219419_200011996143 [0,2,0,0,0,0|1,0,0]=3 7551 B19R2.12067 OC(CSc1ccccc1Br)c2ccc(cc2)Cl 62a_100000695589_200011996143 [0,2,0,0,0,0|2,0,0]=4 7552 B19R2.12067 OC(CSc1ccccc1Br)c2ccc(cc2)Cl 62a_200011996143_100000695589 [0,2,0,0,0,0|2,0,0]=4 7553 B19R2.12067 OC(CSc1ccccc1Cl)c2ccc(cc2)Cl 62a_100000764095_200011996143 [0,2,0,0,0,0|2,0,0]=4 7554 B19R2.12067 OC(CSc1ccccc1Cl)c2ccc(cc2)Cl 62a_200011996143_100000764095 [0,2,0,0,0,0|2,0,0]=4 7555 B19R2.12067 OC(CSc1ccccc1F)c2ccc(cc2)Cl 62a_100011215700_200011996143 [0,2,0,0,0,0|2,0,0]=4 7556 B19R2.12067 OC(CSc1ccccc1F)c2ccc(cc2)Cl 62a_200011996143_100011215700 [0,2,0,0,0,0|2,0,0]=4 7557 B19R2.12067 OC(CSc1ncccc1Br)c2ccc(cc2)Cl 62a_100000696092_200011996143 [0,2,0,0,0,0|1,0,0]=3 7558 B19R2.12067 OC(CSc1ncccc1Br)c2ccc(cc2)Cl 62a_200011996143_100000696092 [0,2,0,0,0,0|1,0,0]=3 7559 B19R2.12067 OC(CSc1ncccc1Cl)c2ccc(cc2)Cl 62a_100011356963_200011996143 [0,2,0,0,0,0|1,0,0]=3 7560 B19R2.12067 OC(CSc1ncccc1Cl)c2ccc(cc2)Cl 62a_200011996143_100011356963 [0,2,0,0,0,0|1,0,0]=3 7561 B19R2.12067 OC(CSc1ncccc1F)c2ccc(cc2)Cl 62a_100000685392_200011996143 [0,2,0,0,0,0|1,0,0]=3 7562 B19R2.12067 OC(CSc1ncccc1F)c2ccc(cc2)Cl 62a_200011996143_100000685392 [0,2,0,0,0,0|1,0,0]=3 7563 B19R2.12067 OC(CSc1nccnc1Cl)c2ccc(cc2)Cl 62a_100010886584_200011996143 [0,2,0,0,0,0|2,0,0]=4 7564 B19R2.12067 OC(CSc1nccnc1Cl)c2ccc(cc2)Cl 62a_200011996143_100010886584 [0,2,0,0,0,0|2,0,0]=4 7565 B19R2.12067 OC(CSc1nccnc1F)c2ccc(cc2)Cl 62a_200010125657_200011996143 [0,2,0,0,0,0|2,0,0]=4 7566 B19R2.12067 OC(CSc1nccnc1F)c2ccc(cc2)Cl 62a_200011996143_200010125657 [0,2,0,0,0,0|2,0,0]=4 7567 B19R2.12067 OC(CSc1ncncc1F)c2ccc(cc2)Cl 62a_100000069762_200011996143 [0,2,0,0,0,0|2,0,0]=4 7568 B19R2.12067 OC(CSc1ncncc1F)c2ccc(cc2)Cl 62a_200011996143_100000069762 [0,2,0,0,0,0|2,0,0]=4 7569 B19R2.12067 O[C@@H](CNc1ccccc1Br)c2ccc(cc2)F 34a_100000210017_100000720402 [0,2,0,0,0,0|1,0,0]=3 7570 B19R2.12067 O[C@@H](CNc1ccccc1Cl)c2ccc(cc2)F 34a_100000185783_100000720402 [0,2,0,0,0,0|1,0,0]=3 7571 B19R2.12067 O[C@@H](CNc1ccccc1F)c2ccc(cc2)F 34a_100000210422_100000720402 [0,2,0,0,0,0|1,0,0]=3 7572 B19R2.12067 O[C@@H](CNc1ccccc1I)c2ccc(cc2)F 34a_100000210053_100000720402 [0,2,0,0,0,0|1,0,0]=3 7573 B19R2.12067 O[C@@H](COc1ccccc1Br)c2ccc(cc2)F 34a_100000181306_100000720402 [0,2,0,0,0,0|2,0,0]=4 7574 B19R2.12067 O[C@@H](COc1ccccc1Br)c2ccc(cc2)F 7a_100000181306_100000720402 [0,2,0,0,0,0|2,0,0]=4 7575 B19R2.12067 O[C@@H](COc1ccccc1Cl)c2ccc(cc2)F 34a_100000210172_100000720402 [0,2,0,0,0,0|2,0,0]=4 7576 B19R2.12067 O[C@@H](COc1ccccc1Cl)c2ccc(cc2)F 7a_100000210172_100000720402 [0,2,0,0,0,0|2,0,0]=4 7577 B19R2.12067 O[C@@H](COc1ccccc1F)c2ccc(cc2)F 34a_100000210171_100000720402 [0,2,0,0,0,0|2,0,0]=4 7578 B19R2.12067 O[C@@H](COc1ccccc1F)c2ccc(cc2)F 7a_100000210171_100000720402 [0,2,0,0,0,0|2,0,0]=4 7579 B19R2.12067 O[C@@H](COc1ccccc1I)c2ccc(cc2)F 34a_100000739446_100000720402 [0,2,0,0,0,0|2,0,0]=4 7580 B19R2.12067 O[C@@H](COc1ccccc1I)c2ccc(cc2)F 7a_100000739446_100000720402 [0,2,0,0,0,0|2,0,0]=4 7581 B19R2.12067 O[C@@H](COc1ncccc1Cl)c2ccc(cc2)F 34a_100011290957_100000720402 [0,2,0,0,0,0|1,0,0]=3 7582 B19R2.12067 O[C@@H](COc1ncccc1F)c2ccc(cc2)F 34a_100011219419_100000720402 [0,2,0,0,0,0|1,0,0]=3 7583 B19R2.12067 O[C@@H](CSc1ccccc1Br)c2ccc(cc2)F 62a_100000695589_100000720402 [0,2,0,0,0,0|2,0,0]=4 7584 B19R2.12067 O[C@@H](CSc1ccccc1Br)c2ccc(cc2)F 62a_100000720402_100000695589 [0,2,0,0,0,0|2,0,0]=4 7585 B19R2.12067 O[C@@H](CSc1ccccc1Cl)c2ccc(cc2)F 62a_100000720402_100000764095 [0,2,0,0,0,0|2,0,0]=4 7586 B19R2.12067 O[C@@H](CSc1ccccc1Cl)c2ccc(cc2)F 62a_100000764095_100000720402 [0,2,0,0,0,0|2,0,0]=4 7587 B19R2.12067 O[C@@H](CSc1ccccc1F)c2ccc(cc2)F 62a_100000720402_100011215700 [0,2,0,0,0,0|2,0,0]=4 7588 B19R2.12067 O[C@@H](CSc1ccccc1F)c2ccc(cc2)F 62a_100011215700_100000720402 [0,2,0,0,0,0|2,0,0]=4 7589 B19R2.12067 O[C@@H](CSc1ncccc1Br)c2ccc(cc2)F 62a_100000696092_100000720402 [0,2,0,0,0,0|1,0,0]=3 7590 B19R2.12067 O[C@@H](CSc1ncccc1Br)c2ccc(cc2)F 62a_100000720402_100000696092 [0,2,0,0,0,0|1,0,0]=3 7591 B19R2.12067 O[C@@H](CSc1ncccc1Cl)c2ccc(cc2)F 62a_100000720402_100011356963 [0,2,0,0,0,0|1,0,0]=3 7592 B19R2.12067 O[C@@H](CSc1ncccc1Cl)c2ccc(cc2)F 62a_100011356963_100000720402 [0,2,0,0,0,0|1,0,0]=3 7593 B19R2.12067 O[C@@H](CSc1ncccc1F)c2ccc(cc2)F 62a_100000685392_100000720402 [0,2,0,0,0,0|1,0,0]=3 7594 B19R2.12067 O[C@@H](CSc1ncccc1F)c2ccc(cc2)F 62a_100000720402_100000685392 [0,2,0,0,0,0|1,0,0]=3 7595 B19R2.12067 O[C@@H](CSc1nccnc1Cl)c2ccc(cc2)F 62a_100000720402_100010886584 [0,2,0,0,0,0|2,0,0]=4 7596 B19R2.12067 O[C@@H](CSc1nccnc1Cl)c2ccc(cc2)F 62a_100010886584_100000720402 [0,2,0,0,0,0|2,0,0]=4 7597 B19R2.12067 O[C@@H](CSc1nccnc1F)c2ccc(cc2)F 62a_100000720402_200010125657 [0,2,0,0,0,0|2,0,0]=4 7598 B19R2.12067 O[C@@H](CSc1nccnc1F)c2ccc(cc2)F 62a_200010125657_100000720402 [0,2,0,0,0,0|2,0,0]=4 7599 B19R2.12067 O[C@@H](CSc1ncncc1F)c2ccc(cc2)F 62a_100000069762_100000720402 [0,2,0,0,0,0|2,0,0]=4 7600 B19R2.12067 O[C@@H](CSc1ncncc1F)c2ccc(cc2)F 62a_100000720402_100000069762 [0,2,0,0,0,0|2,0,0]=4 7601 B19R2.12067 Oc1ccc(cc1)C(O)CNc2ccncc2Br 27a_100000067596_100000726257 [0,2,0,0,0,0|2,0,0]=4 7602 B19R2.12067 Oc1ccc(cc1)C(O)CNc2ccncc2F 27a_100000067596_100000035921 [0,2,0,0,0,0|2,0,0]=4 7603 B19R2.12067 Oc1ccc(cc1)C(O)CNc2ncccc2Br 27a_100000067596_100000696092 [0,2,0,0,0,0|0,0,0]=2 7604 B19R2.12067 Oc1ccc(cc1)C(O)CNc2nccnc2F 27a_100000067596_200010125657 [0,2,0,0,0,0|1,0,0]=3 7605 B19R2.12067 Oc1ccc(cc1)C(O)CNc2ncncc2F 27a_100000067596_100000069762 [0,2,0,0,0,0|1,0,0]=3 7606 B19R2.12067 Oc1ccccc1NCC(O)c2ccc(cc2)Cl 34a_100000185747_200011996143 [0,2,0,0,0,0|1,0,0]=3 7607 B19R2.12067 Oc1ccccc1NC[C@H](O)c2ccc(cc2)F 34a_100000185747_100000720402 [0,2,0,0,0,0|1,0,0]=3 7608 B19R2.12067 Oc1ccccc1SCC(O)c2ccc(cc2)Cl 62a_100000739446_200011996143 [0,2,0,0,0,0|2,0,0]=4 7609 B19R2.12067 Oc1ccccc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000739446 [0,2,0,0,0,0|2,0,0]=4 7610 B19R2.12067 Oc1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000739446 [0,2,0,0,0,0|2,0,0]=4 7611 B19R2.12067 Oc1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000739446_100000720402 [0,2,0,0,0,0|2,0,0]=4 7612 B19R2.12067 Oc1cccnc1SCC(O)c2ccc(cc2)Cl 62a_100000034122_200011996143 [0,2,0,0,0,0|1,0,0]=3 7613 B19R2.12067 Oc1cccnc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_100000034122 [0,2,0,0,0,0|1,0,0]=3 7614 B19R2.12067 Oc1cccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000034122_100000720402 [0,2,0,0,0,0|1,0,0]=3 7615 B19R2.12067 Oc1cccnc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_100000034122 [0,2,0,0,0,0|1,0,0]=3 7616 B19R2.12067 [O-][n+]1ccccc1OCC(O)c2ccc(cc2)Cl 7a_100000211761_200011996143 [0,2,0,0,0,0|1,0,1]=4 7617 B19R2.12067 [O-][n+]1ccccc1OC[C@H](O)c2ccc(cc2)F 7a_100000211761_100000720402 [0,2,0,0,0,0|1,0,1]=4 7618 B19R2.12067 [O-][n+]1ccccc1SCC(O)c2ccc(cc2)Cl 62a_200011996143_200000042595 [0,2,0,0,0,0|1,0,1]=4 7619 B19R2.12067 [O-][n+]1ccccc1SC[C@H](O)c2ccc(cc2)F 62a_100000720402_200000042595 [0,2,0,0,0,0|1,0,1]=4 7620 B19R2.12155 CC(C)(CNc1cccnn1)c2ccc(cc2)Cl 27a_100000742012_100016991348 [0,2,0,0,0,0|2,0,0]=4 7621 B19R2.12155 CC(C)(CNc1ccncn1)c2ccc(cc2)Cl 27a_100000742012_100000703185 [0,2,0,0,0,0|2,0,0]=4 7622 B19R2.12155 CC(C)(CNc1cnccn1)c2ccc(cc2)Cl 27a_100000742012_100000211759 [0,2,0,0,0,0|2,0,0]=4 7623 B19R2.12155 CC(C)(CNc1ncccn1)c2ccc(cc2)Cl 27a_100000742012_100000211032 [0,2,0,0,0,0|2,0,0]=4 7624 B19R2.12155 FC(F)(CNc1ccccc1)c2ccc(cc2)Br 34a_100000106764_100010185546 [0,2,0,0,0,0|2,0,0]=4 7625 B19R2.12155 FC(F)(CSc1ccccn1)c2ccc(cc2)Br 62a_100010185546_100011216584 [0,2,0,0,0,0|2,0,0]=4 7626 B19R2.12155 FC(F)(CSc1ccccn1)c2ccc(cc2)Br 62a_100011216584_100010185546 [0,2,0,0,0,0|2,0,0]=4 7627 B19R2.12286 CC(CN(C)c1ccc(cc1)Br)c2ccccc2 2230a_100000219623_100000756946 [0,2,0,0,0,0|2,0,0]=4 7628 B19R2.12286 CC(CN(C)c1ccc(cc1)Br)c2ccccc2 269982a_100000219623_100000756946 [0,2,0,0,0,0|2,0,0]=4 7629 B19R2.12286 CC(CN(C)c1ccc(cc1)Br)c2ccccc2 34a_100000219623_100000756946 [0,2,0,0,0,0|2,0,0]=4 7630 B19R2.12286 CC(CN(C)c1ccc(cc1)Cl)c2ccccc2 2230a_100020629279_100000756946 [0,2,0,0,0,0|2,0,0]=4 7631 B19R2.12286 CC(CN(C)c1ccc(cc1)Cl)c2ccccc2 269982a_100020629279_100000756946 [0,2,0,0,0,0|2,0,0]=4 7632 B19R2.12286 CC(CN(C)c1ccc(cc1)Cl)c2ccccc2 34a_100020629279_100000756946 [0,2,0,0,0,0|2,0,0]=4 7633 B19R2.12286 CC(CN(C)c1ccc(cc1)F)c2ccccc2 2230a_100000219829_100000756946 [0,2,0,0,0,0|2,0,0]=4 7634 B19R2.12286 CC(CN(C)c1ccc(cc1)F)c2ccccc2 269982a_100000219829_100000756946 [0,2,0,0,0,0|2,0,0]=4 7635 B19R2.12286 CC(CN(C)c1ccc(cc1)F)c2ccccc2 34a_100000219829_100000756946 [0,2,0,0,0,0|2,0,0]=4 7636 B19R2.12286 CC(CN(C)c1ccc(cc1)I)c2ccccc2 2230a_100000743151_100000756946 [0,2,0,0,0,0|2,0,0]=4 7637 B19R2.12286 CC(CN(C)c1ccc(cc1)I)c2ccccc2 269982a_100000743151_100000756946 [0,2,0,0,0,0|2,0,0]=4 7638 B19R2.12286 CC(CN(C)c1ccc(cc1)I)c2ccccc2 34a_100000743151_100000756946 [0,2,0,0,0,0|2,0,0]=4 7639 B19R2.12286 CC(CN(C)c1ccc(cc1)O)c2ccccc2 269982a_100000182112_100000756946 [0,2,0,0,0,0|2,0,0]=4 7640 B19R2.12286 CC(CN(C)c1ccc(cc1)O)c2ccccc2 34a_100000182112_100000756946 [0,2,0,0,0,0|2,0,0]=4 7641 B19R2.12286 CN(CC(O)c1ccc(cc1)Cl)c2ccccc2 2230a_100000210012_200011996143 [0,2,0,0,0,0|1,0,0]=3 7642 B19R2.12286 CN(CC(O)c1ccc(cc1)Cl)c2ccccc2 34a_100000210012_200011996143 [0,2,0,0,0,0|1,0,0]=3 7643 B19R2.12286 CN(CC(O)c1ccc(cc1)O)c2cccnn2 27a_100016988945_100016991348 [0,2,0,0,0,0|1,0,0]=3 7644 B19R2.12286 CN(CC(O)c1ccc(cc1)O)c2ccncn2 27a_100016988945_100000703185 [0,2,0,0,0,0|1,0,0]=3 7645 B19R2.12286 CN(CC(O)c1ccc(cc1)O)c2cnccn2 27a_100016988945_100000211759 [0,2,0,0,0,0|1,0,0]=3 7646 B19R2.12286 CN(CC(O)c1ccc(cc1)O)c2ncccn2 27a_100016988945_100000211032 [0,2,0,0,0,0|1,0,0]=3 7647 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)Br 2230a_100000219623_100000185958 [0,2,0,0,0,0|1,0,0]=3 7648 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)Br 34a_100000219623_100000185958 [0,2,0,0,0,0|1,0,0]=3 7649 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)Cl 2230a_100020629279_100000185958 [0,2,0,0,0,0|1,0,0]=3 7650 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)Cl 34a_100020629279_100000185958 [0,2,0,0,0,0|1,0,0]=3 7651 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)F 2230a_100000219829_100000185958 [0,2,0,0,0,0|1,0,0]=3 7652 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)F 34a_100000219829_100000185958 [0,2,0,0,0,0|1,0,0]=3 7653 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)I 2230a_100000743151_100000185958 [0,2,0,0,0,0|1,0,0]=3 7654 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)I 34a_100000743151_100000185958 [0,2,0,0,0,0|1,0,0]=3 7655 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cc2)O 34a_100000182112_100000185958 [0,2,0,0,0,0|1,0,0]=3 7656 B19R2.12286 CN(CC(O)c1ccccc1)c2ccc(cn2)Br 27a_100000227976_100000686858 [0,2,0,0,0,0|0,0,0]=2 7657 B19R2.12286 CN(CC(O)c1ccccc1)c2cnc(cn2)Br 27a_100000227976_100010187541 [0,2,0,0,0,0|1,0,0]=3 7658 B19R2.12286 CN(CC(O)c1ccccc1)c2cnc(cn2)F 27a_100000227976_100009856528 [0,2,0,0,0,0|1,0,0]=3 7659 B19R2.12286 CN(CC(O)c1ccccc1)c2cnc(nn2)N 27a_100000227976_100000691435 [0,2,0,0,0,0|2,0,0]=4 7660 B19R2.12286 CN(CC(O)c1ccccc1)c2ncc(cn2)Br 27a_100000227976_100000690281 [0,2,0,0,0,0|1,0,0]=3 7661 B19R2.12286 CN(CC(O)c1ccccc1)c2ncc(cn2)Cl 27a_100000227976_100011356929 [0,2,0,0,0,0|1,0,0]=3 7662 B19R2.12286 CN(CC(O)c1ccccc1)c2ncc(cn2)F 27a_100000227976_100000685220 [0,2,0,0,0,0|1,0,0]=3 7663 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)Br 2230a_100000219623_100011933945 [0,2,0,0,0,0|1,0,0]=3 7664 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)Br 34a_100000219623_100011933945 [0,2,0,0,0,0|1,0,0]=3 7665 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)Cl 2230a_100020629279_100011933945 [0,2,0,0,0,0|1,0,0]=3 7666 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)Cl 34a_100020629279_100011933945 [0,2,0,0,0,0|1,0,0]=3 7667 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)F 2230a_100000219829_100011933945 [0,2,0,0,0,0|1,0,0]=3 7668 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)F 34a_100000219829_100011933945 [0,2,0,0,0,0|1,0,0]=3 7669 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)I 2230a_100000743151_100011933945 [0,2,0,0,0,0|1,0,0]=3 7670 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)I 34a_100000743151_100011933945 [0,2,0,0,0,0|1,0,0]=3 7671 B19R2.12286 CN(C[C@@H](O)c1ccccc1)c2ccc(cc2)O 34a_100000182112_100011933945 [0,2,0,0,0,0|1,0,0]=3 7672 B19R2.12286 CN(C[C@H](O)c1ccc(cc1)F)c2ccccc2 2230a_100000210012_100000720402 [0,2,0,0,0,0|1,0,0]=3 7673 B19R2.12286 CN(C[C@H](O)c1ccc(cc1)F)c2ccccc2 34a_100000210012_100000720402 [0,2,0,0,0,0|1,0,0]=3 7674 B19R2.12286 Cc1ccc(cc1)C(=O)CC(O)c2ccccc2 1458a_100000188618_100000185958 [0,2,0,0,0,0|2,0,0]=4 7675 B19R2.12286 Cc1ccc(cc1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000188618_100011933945 [0,2,0,0,0,0|2,0,0]=4 7676 B19R2.12286 Cc1ccc(cc1)N(C)CC(C)c2ccccc2 2230a_100000219977_100000756946 [0,2,0,0,0,0|2,0,0]=4 7677 B19R2.12286 Cc1ccc(cc1)N(C)CC(C)c2ccccc2 269982a_100000219977_100000756946 [0,2,0,0,0,0|2,0,0]=4 7678 B19R2.12286 Cc1ccc(cc1)N(C)CC(C)c2ccccc2 34a_100000219977_100000756946 [0,2,0,0,0,0|2,0,0]=4 7679 B19R2.12286 Cc1ccc(cc1)N(C)CC(O)c2ccccc2 2230a_100000219977_100000185958 [0,2,0,0,0,0|1,0,0]=3 7680 B19R2.12286 Cc1ccc(cc1)N(C)CC(O)c2ccccc2 34a_100000219977_100000185958 [0,2,0,0,0,0|1,0,0]=3 7681 B19R2.12286 Cc1ccc(cc1)N(C)C[C@@H](O)c2ccccc2 2230a_100000219977_100011933945 [0,2,0,0,0,0|1,0,0]=3 7682 B19R2.12286 Cc1ccc(cc1)N(C)C[C@@H](O)c2ccccc2 34a_100000219977_100011933945 [0,2,0,0,0,0|1,0,0]=3 7683 B19R2.12286 Cc1ccc(nn1)N(C)CC(O)c2ccccc2 27a_100000227976_100000744512 [0,2,0,0,0,0|1,0,0]=3 7684 B19R2.12286 Cc1cnc(cn1)N(C)CC(O)c2ccccc2 27a_100000227976_100000074397 [0,2,0,0,0,0|1,0,0]=3 7685 B19R2.12286 Cc1cnc(nc1)N(C)CC(O)c2ccccc2 27a_100000227976_100000061069 [0,2,0,0,0,0|1,0,0]=3 7686 B19R2.12286 O=C(CC(O)c1ccc(cc1)Cl)c2ccccc2 1458a_100000185807_200011996143 [0,2,0,0,0,0|2,0,0]=4 7687 B19R2.12286 O=C(CC(O)c1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100000185958 [0,2,0,0,0,0|2,0,0]=4 7688 B19R2.12286 O=C(CC(O)c1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100000185958 [0,2,0,0,0,0|2,0,0]=4 7689 B19R2.12286 O=C(CC(O)c1ccccc1)c2ccc(cc2)F 1458a_100000187176_100000185958 [0,2,0,0,0,0|2,0,0]=4 7690 B19R2.12286 O=C(CC(O)c1ccccc1)c2ccc(cc2)I 1458a_100000187904_100000185958 [0,2,0,0,0,0|2,0,0]=4 7691 B19R2.12286 O=C(CC(O)c1ccccc1)c2ccc(cc2)O 1458a_100000212099_100000185958 [0,2,0,0,0,0|2,0,0]=4 7692 B19R2.12286 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100011933945 [0,2,0,0,0,0|2,0,0]=4 7693 B19R2.12286 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100011933945 [0,2,0,0,0,0|2,0,0]=4 7694 B19R2.12286 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)F 1458a_100000187176_100011933945 [0,2,0,0,0,0|2,0,0]=4 7695 B19R2.12286 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)I 1458a_100000187904_100011933945 [0,2,0,0,0,0|2,0,0]=4 7696 B19R2.12286 O=C(C[C@@H](O)c1ccccc1)c2ccc(cc2)O 1458a_100000212099_100011933945 [0,2,0,0,0,0|2,0,0]=4 7697 B19R2.12286 O=C(C[C@H](O)c1ccc(cc1)F)c2ccccc2 1458a_100000185807_100000720402 [0,2,0,0,0,0|2,0,0]=4 7698 B19R2.79 C#Cc1ccc(cc1)NCC(C)c2ccccc2 34a_100011215031_100000756946 [0,2,0,0,0,0|2,0,0]=4 7699 B19R2.79 C#Cc1ccc(cc1)NCC(O)c2ccccc2 34a_100011215031_100000185958 [0,2,0,0,0,0|1,0,0]=3 7700 B19R2.79 C#Cc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011215031_100011933945 [0,2,0,0,0,0|1,0,0]=3 7701 B19R2.79 C#Cc1ccc(nc1)OCC(C)c2ccccc2 34a_200009884252_100000756946 [0,2,0,0,0,0|2,0,0]=4 7702 B19R2.79 C#Cc1ccc(nc1)OCC(O)c2ccccc2 34a_200009884252_100000185958 [0,2,0,0,0,0|1,0,0]=3 7703 B19R2.79 C#Cc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_200009884252_100011933945 [0,2,0,0,0,0|1,0,0]=3 7704 B19R2.79 C=Cc1ccc(cc1)NCC(C)c2ccccc2 34a_100011218248_100000756946 [0,2,0,0,0,0|2,0,0]=4 7705 B19R2.79 C=Cc1ccc(cc1)NCC(O)c2ccccc2 34a_100011218248_100000185958 [0,2,0,0,0,0|1,0,0]=3 7706 B19R2.79 C=Cc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011218248_100011933945 [0,2,0,0,0,0|1,0,0]=3 7707 B19R2.79 C=Cc1ccc(cc1)OCC(O)c2ccccc2 34a_100000189437_100000185958 [0,2,0,0,0,0|2,0,0]=4 7708 B19R2.79 C=Cc1ccc(cc1)OCC(O)c2ccccc2 7a_100000189437_100000185958 [0,2,0,0,0,0|2,0,0]=4 7709 B19R2.79 C=Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000189437_100011933945 [0,2,0,0,0,0|2,0,0]=4 7710 B19R2.79 C=Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000189437_100011933945 [0,2,0,0,0,0|2,0,0]=4 7711 B19R2.79 C=Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000748128 [0,2,0,0,0,0|2,0,0]=4 7712 B19R2.79 C=Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000748128_100000185958 [0,2,0,0,0,0|2,0,0]=4 7713 B19R2.79 C=Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000748128_100011933945 [0,2,0,0,0,0|2,0,0]=4 7714 B19R2.79 C=Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000748128 [0,2,0,0,0,0|2,0,0]=4 7715 B19R2.79 C=Cc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_103436540071 [0,2,0,0,0,0|2,0,0]=4 7716 B19R2.79 C=Cc1ccc(nc1)SCC(C)c2ccccc2 62a_103436540071_100000756946 [0,2,0,0,0,0|2,0,0]=4 7717 B19R2.79 C=Cc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_103436540071 [0,2,0,0,0,0|1,0,0]=3 7718 B19R2.79 C=Cc1ccc(nc1)SCC(O)c2ccccc2 62a_103436540071_100000185958 [0,2,0,0,0,0|1,0,0]=3 7719 B19R2.79 C=Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_103436540071 [0,2,0,0,0,0|1,0,0]=3 7720 B19R2.79 C=Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_103436540071_100011933945 [0,2,0,0,0,0|1,0,0]=3 7721 B19R2.79 C=Cc1cnc(nc1)NCC(C)c2ccccc2 27a_100000701038_200000143982 [0,2,0,0,0,0|2,0,0]=4 7722 B19R2.79 C=Cc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_200000143982 [0,2,0,0,0,0|1,0,0]=3 7723 B19R2.79 C=Cc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_200000143982 [0,2,0,0,0,0|2,0,0]=4 7724 B19R2.79 C=Cc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_200000143982 [0,2,0,0,0,0|2,0,0]=4 7725 B19R2.79 C=Cc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_200000143982 [0,2,0,0,0,0|2,0,0]=4 7726 B19R2.79 C=Cc1cnc(nc1)SCC(O)c2ccccc2 62a_200000143982_100000185958 [0,2,0,0,0,0|2,0,0]=4 7727 B19R2.79 C=Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_200000143982 [0,2,0,0,0,0|2,0,0]=4 7728 B19R2.79 C=Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_200000143982_100011933945 [0,2,0,0,0,0|2,0,0]=4 7729 B19R2.79 CC(CNc1ccc(cc1)C#N)c2ccccc2 34a_100000185469_100000756946 [0,2,0,0,0,0|2,0,0]=4 7730 B19R2.79 CC(CNc1ccc(cc1)CO)c2ccccc2 2230a_100011215238_100000756946 [0,2,0,0,0,0|2,0,0]=4 7731 B19R2.79 CC(CNc1ccc(cc1)CO)c2ccccc2 34a_100011215238_100000756946 [0,2,0,0,0,0|2,0,0]=4 7732 B19R2.79 CC(CNc1ccc(cn1)C#N)c2ccccc2 27a_100000701038_100000241038 [0,2,0,0,0,0|1,0,0]=3 7733 B19R2.79 CC(CNc1ccc(nn1)C#N)c2ccccc2 27a_100000701038_100000094388 [0,2,0,0,0,0|2,0,0]=4 7734 B19R2.79 CC(CNc1cnc(cn1)C#N)c2ccccc2 27a_100000701038_100000059812 [0,2,0,0,0,0|2,0,0]=4 7735 B19R2.79 CC(CNc1cnc(cn1)C=O)c2ccccc2 27a_100000701038_100012001714 [0,2,0,0,0,0|2,0,0]=4 7736 B19R2.79 CC(CNc1cnc(cn1)CO)c2ccccc2 27a_100000701038_100012002382 [0,2,0,0,0,0|2,0,0]=4 7737 B19R2.79 CC(CNc1ncc(cn1)C#N)c2ccccc2 27a_100000701038_100000099682 [0,2,0,0,0,0|2,0,0]=4 7738 B19R2.79 CC(CNc1ncc(cn1)C=O)c2ccccc2 27a_100000701038_100000070856 [0,2,0,0,0,0|2,0,0]=4 7739 B19R2.79 CC(CNc1ncc(cn1)CO)c2ccccc2 27a_100000701038_100009855073 [0,2,0,0,0,0|2,0,0]=4 7740 B19R2.79 CC(COc1ccc(cn1)CN)c2ccccc2 34a_100000757128_100000756946 [0,2,0,0,0,0|2,0,0]=4 7741 B19R2.79 CC(CSc1ccc(cn1)C#N)c2ccccc2 62a_100000756946_100000241038 [0,2,0,0,0,0|2,0,0]=4 7742 B19R2.79 CC(CSc1ccc(cn1)C=O)c2ccccc2 62a_100000756946_100000766901 [0,2,0,0,0,0|2,0,0]=4 7743 B19R2.79 CC(CSc1ccc(cn1)C=O)c2ccccc2 62a_100000766901_100000756946 [0,2,0,0,0,0|2,0,0]=4 7744 B19R2.79 CC(CSc1ccc(cn1)CN)c2ccccc2 62a_100000735879_100000756946 [0,2,0,0,0,0|2,0,0]=4 7745 B19R2.79 CC(CSc1ccc(cn1)CN)c2ccccc2 62a_100000756946_100000735879 [0,2,0,0,0,0|2,0,0]=4 7746 B19R2.79 CC(CSc1ccc(cn1)CO)c2ccccc2 62a_100000756946_100009816760 [0,2,0,0,0,0|2,0,0]=4 7747 B19R2.79 CC(CSc1ccc(cn1)CO)c2ccccc2 62a_100009816760_100000756946 [0,2,0,0,0,0|2,0,0]=4 7748 B19R2.79 CC(CSc1ccc(cn1)NN)c2ccccc2 62a_100000755011_100000756946 [0,2,0,0,0,0|2,0,0]=4 7749 B19R2.79 CC(CSc1ccc(cn1)NN)c2ccccc2 62a_100000756946_100000119030 [0,2,0,0,0,0|2,0,0]=4 7750 B19R2.79 CCc1ccc(cc1)NCC(C)c2ccccc2 2230a_100000211069_100000756946 [0,2,0,0,0,0|2,0,0]=4 7751 B19R2.79 CCc1ccc(cc1)NCC(C)c2ccccc2 34a_100000211069_100000756946 [0,2,0,0,0,0|2,0,0]=4 7752 B19R2.79 CCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100000211069_100000185958 [0,2,0,0,0,0|1,0,0]=3 7753 B19R2.79 CCc1ccc(cc1)NCC(O)c2ccccc2 34a_100000211069_100000185958 [0,2,0,0,0,0|1,0,0]=3 7754 B19R2.79 CCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100000211069_100011933945 [0,2,0,0,0,0|1,0,0]=3 7755 B19R2.79 CCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000211069_100011933945 [0,2,0,0,0,0|1,0,0]=3 7756 B19R2.79 CCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211359_100000185958 [0,2,0,0,0,0|2,0,0]=4 7757 B19R2.79 CCc1ccc(cc1)OCC(O)c2ccccc2 7a_100000211359_100000185958 [0,2,0,0,0,0|2,0,0]=4 7758 B19R2.79 CCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211359_100011933945 [0,2,0,0,0,0|2,0,0]=4 7759 B19R2.79 CCc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000211359_100011933945 [0,2,0,0,0,0|2,0,0]=4 7760 B19R2.79 CCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011215824 [0,2,0,0,0,0|2,0,0]=4 7761 B19R2.79 CCc1ccc(cc1)SCC(O)c2ccccc2 62a_100011215824_100000185958 [0,2,0,0,0,0|2,0,0]=4 7762 B19R2.79 CCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011215824_100011933945 [0,2,0,0,0,0|2,0,0]=4 7763 B19R2.79 CCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215824 [0,2,0,0,0,0|2,0,0]=4 7764 B19R2.79 CCc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100009843584 [0,2,0,0,0,0|2,0,0]=4 7765 B19R2.79 CCc1ccc(nc1)SCC(C)c2ccccc2 62a_100009843584_100000756946 [0,2,0,0,0,0|2,0,0]=4 7766 B19R2.79 CCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100009843584 [0,2,0,0,0,0|1,0,0]=3 7767 B19R2.79 CCc1ccc(nc1)SCC(O)c2ccccc2 62a_100009843584_100000185958 [0,2,0,0,0,0|1,0,0]=3 7768 B19R2.79 CCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100009843584_100011933945 [0,2,0,0,0,0|1,0,0]=3 7769 B19R2.79 CCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009843584 [0,2,0,0,0,0|1,0,0]=3 7770 B19R2.79 CCc1cnc(nc1)NCC(C)c2ccccc2 27a_100000701038_100000033099 [0,2,0,0,0,0|2,0,0]=4 7771 B19R2.79 CCc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000033099 [0,2,0,0,0,0|1,0,0]=3 7772 B19R2.79 CCc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000033099 [0,2,0,0,0,0|2,0,0]=4 7773 B19R2.79 CCc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000033099 [0,2,0,0,0,0|2,0,0]=4 7774 B19R2.79 CCc1cnc(nc1)SCC(O)c2ccccc2 62a_100000033099_100000185958 [0,2,0,0,0,0|2,0,0]=4 7775 B19R2.79 CCc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000033099 [0,2,0,0,0,0|2,0,0]=4 7776 B19R2.79 CCc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000033099_100011933945 [0,2,0,0,0,0|2,0,0]=4 7777 B19R2.79 CCc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000033099 [0,2,0,0,0,0|2,0,0]=4 7778 B19R2.79 CNc1ccc(cc1)OCC(O)c2ccccc2 34a_100000182112_100000185958 [0,2,0,0,0,0|2,0,0]=4 7779 B19R2.79 CNc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000182112_100011933945 [0,2,0,0,0,0|2,0,0]=4 7780 B19R2.79 CNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000743151 [0,2,0,0,0,0|2,0,0]=4 7781 B19R2.79 CNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000743151_100000185958 [0,2,0,0,0,0|2,0,0]=4 7782 B19R2.79 CNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000743151_100011933945 [0,2,0,0,0,0|2,0,0]=4 7783 B19R2.79 CNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000743151 [0,2,0,0,0,0|2,0,0]=4 7784 B19R2.79 CNc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100000764248 [0,2,0,0,0,0|2,0,0]=4 7785 B19R2.79 CNc1ccc(nc1)SCC(C)c2ccccc2 62a_100000764248_100000756946 [0,2,0,0,0,0|2,0,0]=4 7786 B19R2.79 CNc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000764248 [0,2,0,0,0,0|1,0,0]=3 7787 B19R2.79 CNc1ccc(nc1)SCC(O)c2ccccc2 62a_100000764248_100000185958 [0,2,0,0,0,0|1,0,0]=3 7788 B19R2.79 CNc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000764248_100011933945 [0,2,0,0,0,0|1,0,0]=3 7789 B19R2.79 CNc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000764248 [0,2,0,0,0,0|1,0,0]=3 7790 B19R2.79 CNc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000215272 [0,2,0,0,0,0|2,0,0]=4 7791 B19R2.79 CNc1ccc(nn1)SCC(O)c2ccccc2 62a_100000215272_100000185958 [0,2,0,0,0,0|2,0,0]=4 7792 B19R2.79 CNc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100000215272_100011933945 [0,2,0,0,0,0|2,0,0]=4 7793 B19R2.79 CNc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000215272 [0,2,0,0,0,0|2,0,0]=4 7794 B19R2.79 CNc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100012000640 [0,2,0,0,0,0|2,0,0]=4 7795 B19R2.79 CNc1cnc(cn1)SCC(O)c2ccccc2 62a_100012000640_100000185958 [0,2,0,0,0,0|2,0,0]=4 7796 B19R2.79 CNc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012000640 [0,2,0,0,0,0|2,0,0]=4 7797 B19R2.79 CNc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100012000640_100011933945 [0,2,0,0,0,0|2,0,0]=4 7798 B19R2.79 COc1ccc(cc1)NCC(C)c2ccccc2 34a_100000184247_100000756946 [0,2,0,0,0,0|2,0,0]=4 7799 B19R2.79 COc1ccc(cc1)NCC(O)c2ccccc2 34a_100000184247_100000185958 [0,2,0,0,0,0|1,0,0]=3 7800 B19R2.79 COc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000184247_100011933945 [0,2,0,0,0,0|1,0,0]=3 7801 B19R2.79 COc1ccc(cc1)OCC(O)c2ccccc2 34a_100000210503_100000185958 [0,2,0,0,0,0|2,0,0]=4 7802 B19R2.79 COc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000210503_100011933945 [0,2,0,0,0,0|2,0,0]=4 7803 B19R2.79 COc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000171711 [0,2,0,0,0,0|2,0,0]=4 7804 B19R2.79 COc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000171711 [0,2,0,0,0,0|2,0,0]=4 7805 B19R2.79 COc1ccc(nc1)OCC(C)c2ccccc2 34a_100012002028_100000756946 [0,2,0,0,0,0|2,0,0]=4 7806 B19R2.79 COc1ccc(nc1)OCC(O)c2ccccc2 34a_100012002028_100000185958 [0,2,0,0,0,0|1,0,0]=3 7807 B19R2.79 COc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_100012002028_100011933945 [0,2,0,0,0,0|1,0,0]=3 7808 B19R2.79 COc1ccc(nc1)SCC(C)c2ccccc2 62a_100000755202_100000756946 [0,2,0,0,0,0|2,0,0]=4 7809 B19R2.79 COc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100000744180 [0,2,0,0,0,0|2,0,0]=4 7810 B19R2.79 COc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000744180 [0,2,0,0,0,0|1,0,0]=3 7811 B19R2.79 COc1ccc(nc1)SCC(O)c2ccccc2 62a_100000755202_100000185958 [0,2,0,0,0,0|1,0,0]=3 7812 B19R2.79 COc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000755202_100011933945 [0,2,0,0,0,0|1,0,0]=3 7813 B19R2.79 COc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744180 [0,2,0,0,0,0|1,0,0]=3 7814 B19R2.79 COc1ccc(nn1)NCC(C)c2ccccc2 27a_100000701038_100010231723 [0,2,0,0,0,0|2,0,0]=4 7815 B19R2.79 COc1ccc(nn1)NCC(O)c2ccccc2 27a_100000210709_100010231723 [0,2,0,0,0,0|1,0,0]=3 7816 B19R2.79 COc1ccc(nn1)NCC(O)c2ccccn2 27a_100000691469_100010231723 [0,2,0,0,0,0|2,0,0]=4 7817 B19R2.79 COc1ccc(nn1)NCC(O)c2cccnc2 27a_100020605170_100010231723 [0,2,0,0,0,0|2,0,0]=4 7818 B19R2.79 COc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100009819040 [0,2,0,0,0,0|2,0,0]=4 7819 B19R2.79 COc1ccc(nn1)SCC(O)c2ccccc2 62a_100009819040_100000185958 [0,2,0,0,0,0|2,0,0]=4 7820 B19R2.79 COc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100009819040_100011933945 [0,2,0,0,0,0|2,0,0]=4 7821 B19R2.79 COc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009819040 [0,2,0,0,0,0|2,0,0]=4 7822 B19R2.79 COc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100011998698 [0,2,0,0,0,0|2,0,0]=4 7823 B19R2.79 COc1cnc(cn1)SCC(O)c2ccccc2 62a_100011998698_100000185958 [0,2,0,0,0,0|2,0,0]=4 7824 B19R2.79 COc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011998698 [0,2,0,0,0,0|2,0,0]=4 7825 B19R2.79 COc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011998698_100011933945 [0,2,0,0,0,0|2,0,0]=4 7826 B19R2.79 COc1cnc(nc1)NCC(C)c2ccccc2 27a_100000701038_100000069167 [0,2,0,0,0,0|2,0,0]=4 7827 B19R2.79 COc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000069167 [0,2,0,0,0,0|1,0,0]=3 7828 B19R2.79 COc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000069167 [0,2,0,0,0,0|2,0,0]=4 7829 B19R2.79 COc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000069167 [0,2,0,0,0,0|2,0,0]=4 7830 B19R2.79 COc1cnc(nc1)SCC(O)c2ccccc2 62a_100000069167_100000185958 [0,2,0,0,0,0|2,0,0]=4 7831 B19R2.79 COc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000069167 [0,2,0,0,0,0|2,0,0]=4 7832 B19R2.79 COc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000069167_100011933945 [0,2,0,0,0,0|2,0,0]=4 7833 B19R2.79 COc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000069167 [0,2,0,0,0,0|2,0,0]=4 7834 B19R2.79 CSc1ccc(cc1)NCC(C)c2ccccc2 34a_100000212337_100000756946 [0,2,0,0,0,0|2,0,0]=4 7835 B19R2.79 CSc1ccc(cc1)NCC(O)c2ccccc2 34a_100000212337_100000185958 [0,2,0,0,0,0|1,0,0]=3 7836 B19R2.79 CSc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000212337_100011933945 [0,2,0,0,0,0|1,0,0]=3 7837 B19R2.79 CSc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211864_100000185958 [0,2,0,0,0,0|2,0,0]=4 7838 B19R2.79 CSc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211864_100011933945 [0,2,0,0,0,0|2,0,0]=4 7839 B19R2.79 CSc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100011263217 [0,2,0,0,0,0|2,0,0]=4 7840 B19R2.79 CSc1ccc(cc1)SCC(O)c2ccccc2 62a_100011263217_100000185958 [0,2,0,0,0,0|2,0,0]=4 7841 B19R2.79 CSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011263217_100011933945 [0,2,0,0,0,0|2,0,0]=4 7842 B19R2.79 CSc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011263217 [0,2,0,0,0,0|2,0,0]=4 7843 B19R2.79 CSc1ccc(nc1)NCC(C)c2ccccc2 27a_100000701038_100009820866 [0,2,0,0,0,0|1,0,0]=3 7844 B19R2.79 CSc1ccc(nc1)NCC(O)c2ccccc2 27a_100000210709_100009820866 [0,2,0,0,0,0|0,0,0]=2 7845 B19R2.79 CSc1ccc(nc1)NCC(O)c2ccccn2 27a_100000691469_100009820866 [0,2,0,0,0,0|1,0,0]=3 7846 B19R2.79 CSc1ccc(nc1)NCC(O)c2cccnc2 27a_100020605170_100009820866 [0,2,0,0,0,0|1,0,0]=3 7847 B19R2.79 CSc1ccc(nc1)SCC(C)c2ccccc2 62a_100000756946_100009820866 [0,2,0,0,0,0|2,0,0]=4 7848 B19R2.79 CSc1ccc(nc1)SCC(C)c2ccccc2 62a_100009820866_100000756946 [0,2,0,0,0,0|2,0,0]=4 7849 B19R2.79 CSc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100009820866 [0,2,0,0,0,0|1,0,0]=3 7850 B19R2.79 CSc1ccc(nc1)SCC(O)c2ccccc2 62a_100009820866_100000185958 [0,2,0,0,0,0|1,0,0]=3 7851 B19R2.79 CSc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100009820866_100011933945 [0,2,0,0,0,0|1,0,0]=3 7852 B19R2.79 CSc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009820866 [0,2,0,0,0,0|1,0,0]=3 7853 B19R2.79 CSc1cnc(cn1)NCC(C)c2ccccc2 27a_100000701038_200012356277 [0,2,0,0,0,0|2,0,0]=4 7854 B19R2.79 CSc1cnc(cn1)NCC(O)c2ccccc2 27a_100000210709_200012356277 [0,2,0,0,0,0|1,0,0]=3 7855 B19R2.79 CSc1cnc(cn1)NCC(O)c2ccccn2 27a_100000691469_200012356277 [0,2,0,0,0,0|2,0,0]=4 7856 B19R2.79 CSc1cnc(cn1)NCC(O)c2cccnc2 27a_100020605170_200012356277 [0,2,0,0,0,0|2,0,0]=4 7857 B19R2.79 CSc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_200012356277 [0,2,0,0,0,0|2,0,0]=4 7858 B19R2.79 CSc1cnc(cn1)SCC(O)c2ccccc2 62a_200012356277_100000185958 [0,2,0,0,0,0|2,0,0]=4 7859 B19R2.79 CSc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_200012356277 [0,2,0,0,0,0|2,0,0]=4 7860 B19R2.79 CSc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_200012356277_100011933945 [0,2,0,0,0,0|2,0,0]=4 7861 B19R2.79 CSc1cnc(nc1)NCC(C)c2ccccc2 27a_100000701038_100000718988 [0,2,0,0,0,0|2,0,0]=4 7862 B19R2.79 CSc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000718988 [0,2,0,0,0,0|1,0,0]=3 7863 B19R2.79 CSc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000718988 [0,2,0,0,0,0|2,0,0]=4 7864 B19R2.79 CSc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000718988 [0,2,0,0,0,0|2,0,0]=4 7865 B19R2.79 CSc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000718988 [0,2,0,0,0,0|2,0,0]=4 7866 B19R2.79 CSc1cnc(nc1)SCC(O)c2ccccc2 62a_100000718988_100000185958 [0,2,0,0,0,0|2,0,0]=4 7867 B19R2.79 CSc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000718988_100011933945 [0,2,0,0,0,0|2,0,0]=4 7868 B19R2.79 CSc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000718988 [0,2,0,0,0,0|2,0,0]=4 7869 B19R2.79 N#Cc1ccc(cc1)NCC(O)c2ccccc2 34a_100000185469_100000185958 [0,2,0,0,0,0|1,0,0]=3 7870 B19R2.79 N#Cc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100000185469_100011933945 [0,2,0,0,0,0|1,0,0]=3 7871 B19R2.79 N#Cc1ccc(cc1)OCC(O)c2ccccc2 34a_100000210344_100000185958 [0,2,0,0,0,0|2,0,0]=4 7872 B19R2.79 N#Cc1ccc(cc1)OCC(O)c2ccccc2 7a_100000210344_100000185958 [0,2,0,0,0,0|2,0,0]=4 7873 B19R2.79 N#Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000210344_100011933945 [0,2,0,0,0,0|2,0,0]=4 7874 B19R2.79 N#Cc1ccc(cc1)OC[C@@H](O)c2ccccc2 7a_100000210344_100011933945 [0,2,0,0,0,0|2,0,0]=4 7875 B19R2.79 N#Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000184291 [0,2,0,0,0,0|2,0,0]=4 7876 B19R2.79 N#Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000184291 [0,2,0,0,0,0|2,0,0]=4 7877 B19R2.79 N#Cc1ccc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000241038 [0,2,0,0,0,0|0,0,0]=2 7878 B19R2.79 N#Cc1ccc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000241038 [0,2,0,0,0,0|1,0,0]=3 7879 B19R2.79 N#Cc1ccc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000241038 [0,2,0,0,0,0|1,0,0]=3 7880 B19R2.79 N#Cc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000241038 [0,2,0,0,0,0|1,0,0]=3 7881 B19R2.79 N#Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000241038 [0,2,0,0,0,0|1,0,0]=3 7882 B19R2.79 N#Cc1ccc(nn1)NCC(O)c2ccccc2 27a_100000210709_100000094388 [0,2,0,0,0,0|1,0,0]=3 7883 B19R2.79 N#Cc1ccc(nn1)NCC(O)c2ccccn2 27a_100000691469_100000094388 [0,2,0,0,0,0|2,0,0]=4 7884 B19R2.79 N#Cc1ccc(nn1)NCC(O)c2cccnc2 27a_100020605170_100000094388 [0,2,0,0,0,0|2,0,0]=4 7885 B19R2.79 N#Cc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000094388 [0,2,0,0,0,0|2,0,0]=4 7886 B19R2.79 N#Cc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000094388 [0,2,0,0,0,0|2,0,0]=4 7887 B19R2.79 N#Cc1cnc(cn1)NCC(O)c2ccccc2 27a_100000210709_100000059812 [0,2,0,0,0,0|1,0,0]=3 7888 B19R2.79 N#Cc1cnc(cn1)NCC(O)c2ccccn2 27a_100000691469_100000059812 [0,2,0,0,0,0|2,0,0]=4 7889 B19R2.79 N#Cc1cnc(cn1)NCC(O)c2cccnc2 27a_100020605170_100000059812 [0,2,0,0,0,0|2,0,0]=4 7890 B19R2.79 N#Cc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000059812 [0,2,0,0,0,0|2,0,0]=4 7891 B19R2.79 N#Cc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000059812 [0,2,0,0,0,0|2,0,0]=4 7892 B19R2.79 N#Cc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000099682 [0,2,0,0,0,0|1,0,0]=3 7893 B19R2.79 N#Cc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000099682 [0,2,0,0,0,0|2,0,0]=4 7894 B19R2.79 N#Cc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000099682 [0,2,0,0,0,0|2,0,0]=4 7895 B19R2.79 N#Cc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000099682 [0,2,0,0,0,0|2,0,0]=4 7896 B19R2.79 N#Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000099682 [0,2,0,0,0,0|2,0,0]=4 7897 B19R2.79 NCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000185549_100000185958 [0,2,0,0,0,0|2,0,0]=4 7898 B19R2.79 NCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000185549_100011933945 [0,2,0,0,0,0|2,0,0]=4 7899 B19R2.79 NCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100016989417 [0,2,0,0,0,0|2,0,0]=4 7900 B19R2.79 NCc1ccc(cc1)SCC(O)c2ccccc2 62a_100016989417_100000185958 [0,2,0,0,0,0|2,0,0]=4 7901 B19R2.79 NCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016989417 [0,2,0,0,0,0|2,0,0]=4 7902 B19R2.79 NCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100016989417_100011933945 [0,2,0,0,0,0|2,0,0]=4 7903 B19R2.79 NCc1ccc(nc1)OCC(O)c2ccccc2 34a_100000757128_100000185958 [0,2,0,0,0,0|1,0,0]=3 7904 B19R2.79 NCc1ccc(nc1)OC[C@@H](O)c2ccccc2 34a_100000757128_100011933945 [0,2,0,0,0,0|1,0,0]=3 7905 B19R2.79 NCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000735879 [0,2,0,0,0,0|1,0,0]=3 7906 B19R2.79 NCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000735879_100000185958 [0,2,0,0,0,0|1,0,0]=3 7907 B19R2.79 NCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000735879_100011933945 [0,2,0,0,0,0|1,0,0]=3 7908 B19R2.79 NCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000735879 [0,2,0,0,0,0|1,0,0]=3 7909 B19R2.79 NNc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100016988836 [0,2,0,0,0,0|2,0,0]=4 7910 B19R2.79 NNc1ccc(cc1)SCC(O)c2ccccc2 62a_100016988836_100000185958 [0,2,0,0,0,0|2,0,0]=4 7911 B19R2.79 NNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016988836 [0,2,0,0,0,0|2,0,0]=4 7912 B19R2.79 NNc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100016988836_100011933945 [0,2,0,0,0,0|2,0,0]=4 7913 B19R2.79 NNc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000119030 [0,2,0,0,0,0|1,0,0]=3 7914 B19R2.79 NNc1ccc(nc1)SCC(O)c2ccccc2 62a_100000755011_100000185958 [0,2,0,0,0,0|1,0,0]=3 7915 B19R2.79 NNc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000755011_100011933945 [0,2,0,0,0,0|1,0,0]=3 7916 B19R2.79 NNc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000119030 [0,2,0,0,0,0|1,0,0]=3 7917 B19R2.79 NNc1ccc(nn1)SCC(O)c2ccccc2 62a_100000182438_100000185958 [0,2,0,0,0,0|2,0,0]=4 7918 B19R2.79 NNc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000182438 [0,2,0,0,0,0|2,0,0]=4 7919 B19R2.79 NNc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100000182438_100011933945 [0,2,0,0,0,0|2,0,0]=4 7920 B19R2.79 NNc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000182438 [0,2,0,0,0,0|2,0,0]=4 7921 B19R2.79 NNc1cnc(cn1)SCC(O)c2ccccc2 62a_100000121042_100000185958 [0,2,0,0,0,0|2,0,0]=4 7922 B19R2.79 NNc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100000121042 [0,2,0,0,0,0|2,0,0]=4 7923 B19R2.79 NNc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100000121042_100011933945 [0,2,0,0,0,0|2,0,0]=4 7924 B19R2.79 NNc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000121042 [0,2,0,0,0,0|2,0,0]=4 7925 B19R2.79 O=Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000188517 [0,2,0,0,0,0|2,0,0]=4 7926 B19R2.79 O=Cc1ccc(cc1)SCC(O)c2ccccc2 62a_100000188517_100000185958 [0,2,0,0,0,0|2,0,0]=4 7927 B19R2.79 O=Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000188517_100011933945 [0,2,0,0,0,0|2,0,0]=4 7928 B19R2.79 O=Cc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000188517 [0,2,0,0,0,0|2,0,0]=4 7929 B19R2.79 O=Cc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000766901 [0,2,0,0,0,0|1,0,0]=3 7930 B19R2.79 O=Cc1ccc(nc1)SCC(O)c2ccccc2 62a_100000766901_100000185958 [0,2,0,0,0,0|1,0,0]=3 7931 B19R2.79 O=Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100000766901_100011933945 [0,2,0,0,0,0|1,0,0]=3 7932 B19R2.79 O=Cc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000766901 [0,2,0,0,0,0|1,0,0]=3 7933 B19R2.79 O=Cc1ccc(nn1)SCC(O)c2ccccc2 62a_100000044651_100000185958 [0,2,0,0,0,0|2,0,0]=4 7934 B19R2.79 O=Cc1ccc(nn1)SCC(O)c2ccccc2 62a_100000185958_100000044651 [0,2,0,0,0,0|2,0,0]=4 7935 B19R2.79 O=Cc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100000044651_100011933945 [0,2,0,0,0,0|2,0,0]=4 7936 B19R2.79 O=Cc1ccc(nn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000044651 [0,2,0,0,0,0|2,0,0]=4 7937 B19R2.79 O=Cc1cnc(cn1)NCC(O)c2ccccc2 27a_100000210709_100012001714 [0,2,0,0,0,0|1,0,0]=3 7938 B19R2.79 O=Cc1cnc(cn1)NCC(O)c2ccccn2 27a_100000691469_100012001714 [0,2,0,0,0,0|2,0,0]=4 7939 B19R2.79 O=Cc1cnc(cn1)NCC(O)c2cccnc2 27a_100020605170_100012001714 [0,2,0,0,0,0|2,0,0]=4 7940 B19R2.79 O=Cc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100012001714 [0,2,0,0,0,0|2,0,0]=4 7941 B19R2.79 O=Cc1cnc(cn1)SCC(O)c2ccccc2 62a_100012001714_100000185958 [0,2,0,0,0,0|2,0,0]=4 7942 B19R2.79 O=Cc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012001714 [0,2,0,0,0,0|2,0,0]=4 7943 B19R2.79 O=Cc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100012001714_100011933945 [0,2,0,0,0,0|2,0,0]=4 7944 B19R2.79 O=Cc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100000070856 [0,2,0,0,0,0|1,0,0]=3 7945 B19R2.79 O=Cc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100000070856 [0,2,0,0,0,0|2,0,0]=4 7946 B19R2.79 O=Cc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100000070856 [0,2,0,0,0,0|2,0,0]=4 7947 B19R2.79 O=Cc1cnc(nc1)SCC(O)c2ccccc2 62a_100000070856_100000185958 [0,2,0,0,0,0|2,0,0]=4 7948 B19R2.79 O=Cc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100000070856 [0,2,0,0,0,0|2,0,0]=4 7949 B19R2.79 O=Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100000070856_100011933945 [0,2,0,0,0,0|2,0,0]=4 7950 B19R2.79 O=Cc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000070856 [0,2,0,0,0,0|2,0,0]=4 7951 B19R2.79 OC(CSc1ccc(cc1)CF)c2ccccc2 62a_100000185958_100010268989 [0,2,0,0,0,0|2,0,0]=4 7952 B19R2.79 OC(CSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100000185958 [0,2,0,0,0,0|2,0,0]=4 7953 B19R2.79 OCc1ccc(cc1)NCC(O)c2ccccc2 2230a_100011215238_100000185958 [0,2,0,0,0,0|1,0,0]=3 7954 B19R2.79 OCc1ccc(cc1)NCC(O)c2ccccc2 34a_100011215238_100000185958 [0,2,0,0,0,0|1,0,0]=3 7955 B19R2.79 OCc1ccc(cc1)NC[C@@H](O)c2ccccc2 2230a_100011215238_100011933945 [0,2,0,0,0,0|1,0,0]=3 7956 B19R2.79 OCc1ccc(cc1)NC[C@@H](O)c2ccccc2 34a_100011215238_100011933945 [0,2,0,0,0,0|1,0,0]=3 7957 B19R2.79 OCc1ccc(cc1)OCC(O)c2ccccc2 34a_100000211755_100000185958 [0,2,0,0,0,0|2,0,0]=4 7958 B19R2.79 OCc1ccc(cc1)OC[C@@H](O)c2ccccc2 34a_100000211755_100011933945 [0,2,0,0,0,0|2,0,0]=4 7959 B19R2.79 OCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000185958_100000690907 [0,2,0,0,0,0|2,0,0]=4 7960 B19R2.79 OCc1ccc(cc1)SCC(O)c2ccccc2 62a_100000690907_100000185958 [0,2,0,0,0,0|2,0,0]=4 7961 B19R2.79 OCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100000690907_100011933945 [0,2,0,0,0,0|2,0,0]=4 7962 B19R2.79 OCc1ccc(cc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000690907 [0,2,0,0,0,0|2,0,0]=4 7963 B19R2.79 OCc1ccc(nc1)SCC(O)c2ccccc2 62a_100000185958_100009816760 [0,2,0,0,0,0|1,0,0]=3 7964 B19R2.79 OCc1ccc(nc1)SCC(O)c2ccccc2 62a_100009816760_100000185958 [0,2,0,0,0,0|1,0,0]=3 7965 B19R2.79 OCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100009816760_100011933945 [0,2,0,0,0,0|1,0,0]=3 7966 B19R2.79 OCc1ccc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009816760 [0,2,0,0,0,0|1,0,0]=3 7967 B19R2.79 OCc1cnc(cn1)NCC(O)c2ccccc2 27a_100000210709_100012002382 [0,2,0,0,0,0|1,0,0]=3 7968 B19R2.79 OCc1cnc(cn1)NCC(O)c2ccccn2 27a_100000691469_100012002382 [0,2,0,0,0,0|2,0,0]=4 7969 B19R2.79 OCc1cnc(cn1)NCC(O)c2cccnc2 27a_100020605170_100012002382 [0,2,0,0,0,0|2,0,0]=4 7970 B19R2.79 OCc1cnc(cn1)SCC(O)c2ccccc2 62a_100000185958_100012002382 [0,2,0,0,0,0|2,0,0]=4 7971 B19R2.79 OCc1cnc(cn1)SCC(O)c2ccccc2 62a_100012002382_100000185958 [0,2,0,0,0,0|2,0,0]=4 7972 B19R2.79 OCc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012002382 [0,2,0,0,0,0|2,0,0]=4 7973 B19R2.79 OCc1cnc(cn1)SC[C@@H](O)c2ccccc2 62a_100012002382_100011933945 [0,2,0,0,0,0|2,0,0]=4 7974 B19R2.79 OCc1cnc(nc1)NCC(O)c2ccccc2 27a_100000210709_100009855073 [0,2,0,0,0,0|1,0,0]=3 7975 B19R2.79 OCc1cnc(nc1)NCC(O)c2ccccn2 27a_100000691469_100009855073 [0,2,0,0,0,0|2,0,0]=4 7976 B19R2.79 OCc1cnc(nc1)NCC(O)c2cccnc2 27a_100020605170_100009855073 [0,2,0,0,0,0|2,0,0]=4 7977 B19R2.79 OCc1cnc(nc1)SCC(O)c2ccccc2 62a_100000185958_100009855073 [0,2,0,0,0,0|2,0,0]=4 7978 B19R2.79 OCc1cnc(nc1)SCC(O)c2ccccc2 62a_100009855073_100000185958 [0,2,0,0,0,0|2,0,0]=4 7979 B19R2.79 OCc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100009855073_100011933945 [0,2,0,0,0,0|2,0,0]=4 7980 B19R2.79 OCc1cnc(nc1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009855073 [0,2,0,0,0,0|2,0,0]=4 7981 B19R2.79 O[C@H](CSc1ccc(cc1)CF)c2ccccc2 62a_100010268989_100011933945 [0,2,0,0,0,0|2,0,0]=4 7982 B19R2.79 O[C@H](CSc1ccc(cc1)CF)c2ccccc2 62a_100011933945_100010268989 [0,2,0,0,0,0|2,0,0]=4 7983 B19R2.285 Cc1ccc(nn1)NCC(O)c2cccc(c2)O 27a_100020657549_100000744512 [0,2,0,0,0,0|1,0,0]=3 7984 B19R2.285 Cc1cnc(cn1)NCC(O)c2cccc(c2)O 27a_100020657549_100000074397 [0,2,0,0,0,0|1,0,0]=3 7985 B19R2.285 Cc1cnc(nc1)NCC(O)c2cccc(c2)O 27a_100020657549_100000061069 [0,2,0,0,0,0|1,0,0]=3 7986 B19R2.285 Nc1ncc(nn1)NCC(O)c2cccc(c2)O 27a_100020657549_100000691435 [0,2,0,0,0,0|2,0,0]=4 7987 B19R2.285 Oc1cccc(c1)C(O)CNc2ccc(cn2)Br 27a_100020657549_100000686858 [0,2,0,0,0,0|0,0,0]=2 7988 B19R2.285 Oc1cccc(c1)C(O)CNc2cnc(cn2)Br 27a_100020657549_100010187541 [0,2,0,0,0,0|1,0,0]=3 7989 B19R2.285 Oc1cccc(c1)C(O)CNc2cnc(cn2)F 27a_100020657549_100009856528 [0,2,0,0,0,0|1,0,0]=3 7990 B19R2.285 Oc1cccc(c1)C(O)CNc2ncc(cn2)Br 27a_100020657549_100000690281 [0,2,0,0,0,0|1,0,0]=3 7991 B19R2.285 Oc1cccc(c1)C(O)CNc2ncc(cn2)Cl 27a_100020657549_100011356929 [0,2,0,0,0,0|1,0,0]=3 7992 B19R2.285 Oc1cccc(c1)C(O)CNc2ncc(cn2)F 27a_100020657549_100000685220 [0,2,0,0,0,0|1,0,0]=3 7993 B19R2.2223 Cc1ccc(nc1)CN[C@H](CO)c2ccccc2 207a_100000751927_100000050478 [0,2,0,0,0,0|2,0,0]=4 7994 B19R2.2223 Cc1ccc(nc1)CN[C@H](CO)c2ccccc2 2230a_100000751927_100000691093 [0,2,0,0,0,0|2,0,0]=4 7995 B19R2.2223 Cc1ccc(nc1)CN[C@H](CO)c2ccccc2 270004a_100000751927_100000050478 [0,2,0,0,0,0|2,0,0]=4 7996 B19R2.2223 Cc1ccc(nc1)CN[C@H](CO)c2ccccc2 34a_100000751927_100000691093 [0,2,0,0,0,0|2,0,0]=4 7997 B19R2.2223 Cc1ccc(nc1)NN=C(CO)c2ccccc2 4a_100000746693_100000748912 [0,2,0,0,0,0|1,0,1]=4 7998 B19R2.2223 OCC(=NNc1ccc(cn1)Br)c2ccccc2 4a_100000750576_100000748912 [0,2,0,0,0,0|1,0,1]=4 7999 B19R2.2223 OCC(=NNc1ccc(cn1)Cl)c2ccccc2 4a_100011206499_100000748912 [0,2,0,0,0,0|1,0,1]=4 8000 B19R2.2223 OCC(=NNc1ccc(cn1)F)c2ccccc2 4a_100000753838_100000748912 [0,2,0,0,0,0|1,0,1]=4 8001 B19R2.2223 OCC(=NNc1ccc(cn1)I)c2ccccc2 4a_100010221006_100000748912 [0,2,0,0,0,0|1,0,1]=4 8002 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Br)c2ccccc2 207a_100000751927_100000754260 [0,2,0,0,0,0|2,0,0]=4 8003 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Br)c2ccccc2 2230a_100000751927_100000702658 [0,2,0,0,0,0|2,0,0]=4 8004 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Br)c2ccccc2 270004a_100000751927_100000754260 [0,2,0,0,0,0|2,0,0]=4 8005 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Br)c2ccccc2 34a_100000751927_100000702658 [0,2,0,0,0,0|2,0,0]=4 8006 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 207a_100000751927_100011361569 [0,2,0,0,0,0|2,0,0]=4 8007 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 2230a_100000751927_100012066911 [0,2,0,0,0,0|2,0,0]=4 8008 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 270004a_100000751927_100011361569 [0,2,0,0,0,0|2,0,0]=4 8009 B19R2.2223 OC[C@@H](NCc1ccc(cn1)Cl)c2ccccc2 34a_100000751927_100012066911 [0,2,0,0,0,0|2,0,0]=4 8010 B19R2.2223 OC[C@@H](NCc1ccc(cn1)F)c2ccccc2 207a_100000751927_100011934744 [0,2,0,0,0,0|2,0,0]=4 8011 B19R2.2223 OC[C@@H](NCc1ccc(cn1)F)c2ccccc2 2230a_100000751927_100000703193 [0,2,0,0,0,0|2,0,0]=4 8012 B19R2.2223 OC[C@@H](NCc1ccc(cn1)F)c2ccccc2 270004a_100000751927_100011934744 [0,2,0,0,0,0|2,0,0]=4 8013 B19R2.2223 OC[C@@H](NCc1ccc(cn1)F)c2ccccc2 34a_100000751927_100000703193 [0,2,0,0,0,0|2,0,0]=4 8014 B19R2.4181 Cc1ccc(cc1)NC(=O)[C@H](O)c2ccccc2 22a_100000124888_100000684486 [0,2,0,0,0,0|1,0,1]=4 8015 B19R2.4181 Cc1ccc(nc1)CC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000691093 [0,2,0,0,0,0|1,0,1]=4 8016 B19R2.4181 O=C(Cc1ccc(cn1)Br)[C@H](O)c2ccccc2 1458a_100000684486_100000702658 [0,2,0,0,0,0|1,0,1]=4 8017 B19R2.4181 O=C(Cc1ccc(cn1)Cl)[C@H](O)c2ccccc2 1458a_100000684486_100012066911 [0,2,0,0,0,0|1,0,1]=4 8018 B19R2.4181 O=C(Cc1ccc(cn1)F)[C@H](O)c2ccccc2 1458a_100000684486_100000703193 [0,2,0,0,0,0|1,0,1]=4 8019 B19R2.4181 O=C(Nc1ccc(cc1)Br)[C@H](O)c2ccccc2 22a_100000210018_100000684486 [0,2,0,0,0,0|1,0,1]=4 8020 B19R2.4181 O=C(Nc1ccc(cc1)Cl)[C@H](O)c2ccccc2 22a_100000210052_100000684486 [0,2,0,0,0,0|1,0,1]=4 8021 B19R2.4181 O=C(Nc1ccc(cc1)F)[C@H](O)c2ccccc2 22a_100000185862_100000684486 [0,2,0,0,0,0|1,0,1]=4 8022 B19R2.4181 O=C(Nc1ccc(cc1)I)[C@H](O)c2ccccc2 22a_100000185761_100000684486 [0,2,0,0,0,0|1,0,1]=4 8023 B19R2.4181 O=C(Nc1ccc(cc1)O)[C@H](O)c2ccccc2 22a_100000185829_100000684486 [0,2,0,0,0,0|1,0,1]=4 8024 B19R2.4537 CC(CNc1ccc(cc1Br)F)c2ccccc2 34a_100000738039_100000756946 [0,2,0,0,0,0|2,0,0]=4 8025 B19R2.4537 CC(CNc1ccc(cc1Br)O)c2ccccc2 34a_100012001276_100000756946 [0,2,0,0,0,0|2,0,0]=4 8026 B19R2.4537 CC(CNc1ccc(cc1Cl)F)c2ccccc2 34a_100000212003_100000756946 [0,2,0,0,0,0|2,0,0]=4 8027 B19R2.4537 CC(CNc1ccc(cc1Cl)O)c2ccccc2 34a_100011215599_100000756946 [0,2,0,0,0,0|2,0,0]=4 8028 B19R2.4537 CC(CNc1ccc(cc1F)Br)c2ccccc2 34a_100000210722_100000756946 [0,2,0,0,0,0|2,0,0]=4 8029 B19R2.4537 CC(CNc1ccc(cc1F)Cl)c2ccccc2 34a_100000211020_100000756946 [0,2,0,0,0,0|2,0,0]=4 8030 B19R2.4537 CC(CNc1ccc(cc1F)F)c2ccccc2 34a_100000210720_100000756946 [0,2,0,0,0,0|2,0,0]=4 8031 B19R2.4537 CC(CNc1ccc(cc1F)I)c2ccccc2 34a_100011215594_100000756946 [0,2,0,0,0,0|2,0,0]=4 8032 B19R2.4537 CC(CNc1ccc(cc1F)O)c2ccccc2 34a_100000759473_100000756946 [0,2,0,0,0,0|2,0,0]=4 8033 B19R2.4537 CC(CNc1ccc(cc1I)F)c2ccccc2 34a_100000760547_100000756946 [0,2,0,0,0,0|2,0,0]=4 8034 B19R2.4537 CC(CNc1ccc(cc1I)O)c2ccccc2 34a_100010084370_100000756946 [0,2,0,0,0,0|2,0,0]=4 8035 B19R2.4537 CC(CNc1ccc(cc1O)Br)c2ccccc2 34a_100000739049_100000756946 [0,2,0,0,0,0|2,0,0]=4 8036 B19R2.4537 CC(CNc1ccc(cc1O)Cl)c2ccccc2 34a_100000185728_100000756946 [0,2,0,0,0,0|2,0,0]=4 8037 B19R2.4537 CC(CNc1ccc(cc1O)F)c2ccccc2 34a_100000753323_100000756946 [0,2,0,0,0,0|2,0,0]=4 8038 B19R2.4537 CC(CNc1ccc(cc1O)O)c2ccccc2 34a_100000106777_100000756946 [0,2,0,0,0,0|2,0,0]=4 8039 B19R2.4537 CC(COc1ncc(cc1Br)Br)c2ccccc2 34a_100000701035_100000756946 [0,2,0,0,0,0|2,0,0]=4 8040 B19R2.4537 CC(COc1ncc(cc1Cl)Br)c2ccccc2 34a_100012339560_100000756946 [0,2,0,0,0,0|2,0,0]=4 8041 B19R2.4537 CC(COc1ncc(cc1Cl)F)c2ccccc2 34a_100009847679_100000756946 [0,2,0,0,0,0|2,0,0]=4 8042 B19R2.4537 CC(COc1ncc(cc1F)Cl)c2ccccc2 34a_100011998252_100000756946 [0,2,0,0,0,0|2,0,0]=4 8043 B19R2.4537 CC(COc1ncc(cc1F)F)c2ccccc2 34a_100012025737_100000756946 [0,2,0,0,0,0|2,0,0]=4 8044 B19R2.4537 CC(COc1ncc(cc1N)Br)c2ccccc2 34a_100000743729_100000756946 [0,2,0,0,0,0|2,0,0]=4 8045 B19R2.4537 CC(COc1ncc(cc1N)Cl)c2ccccc2 34a_100011998249_100000756946 [0,2,0,0,0,0|2,0,0]=4 8046 B19R2.4537 CC(CSc1ncc(cc1F)Br)c2ccccc2 62a_100000756946_100012348576 [0,2,0,0,0,0|2,0,0]=4 8047 B19R2.4537 CC(CSc1ncc(cc1F)Br)c2ccccc2 62a_100012348576_100000756946 [0,2,0,0,0,0|2,0,0]=4 8048 B19R2.4537 CC(CSc1ncc(cc1F)Cl)c2ccccc2 62a_100000756946_100012348686 [0,2,0,0,0,0|2,0,0]=4 8049 B19R2.4537 CC(CSc1ncc(cc1F)Cl)c2ccccc2 62a_100012348686_100000756946 [0,2,0,0,0,0|2,0,0]=4 8050 B19R2.4537 CC(CSc1ncc(cc1F)F)c2ccccc2 62a_100000756946_100011219543 [0,2,0,0,0,0|2,0,0]=4 8051 B19R2.4537 CC(CSc1ncc(cc1F)F)c2ccccc2 62a_100011219543_100000756946 [0,2,0,0,0,0|2,0,0]=4 8052 B19R2.4537 CC(CSc1ncc(cc1F)N)c2ccccc2 62a_100000756946_100010280766 [0,2,0,0,0,0|2,0,0]=4 8053 B19R2.4537 CC(CSc1ncc(cc1F)N)c2ccccc2 62a_100010280766_100000756946 [0,2,0,0,0,0|2,0,0]=4 8054 B19R2.4537 CC(CSc1ncc(cc1F)O)c2ccccc2 62a_100000756946_100000063512 [0,2,0,0,0,0|2,0,0]=4 8055 B19R2.4537 CC(CSc1ncc(cc1N)Br)c2ccccc2 62a_100000756946_100010090555 [0,2,0,0,0,0|2,0,0]=4 8056 B19R2.4537 CC(CSc1ncc(cc1N)Br)c2ccccc2 62a_100010090555_100000756946 [0,2,0,0,0,0|2,0,0]=4 8057 B19R2.4537 CC(CSc1ncc(cc1N)F)c2ccccc2 62a_100000756946_100009817643 [0,2,0,0,0,0|2,0,0]=4 8058 B19R2.4537 CC(CSc1ncc(cc1N)F)c2ccccc2 62a_100009817643_100000756946 [0,2,0,0,0,0|2,0,0]=4 8059 B19R2.4537 CC(CSc1ncc(cc1N)N)c2ccccc2 62a_100000756946_200000093520 [0,2,0,0,0,0|2,0,0]=4 8060 B19R2.4537 CC(CSc1ncc(cc1N)N)c2ccccc2 62a_200000093520_100000756946 [0,2,0,0,0,0|2,0,0]=4 8061 B19R2.4537 CC(CSc1ncc(cc1O)Br)c2ccccc2 62a_100000756946_100010210634 [0,2,0,0,0,0|2,0,0]=4 8062 B19R2.4537 CC(CSc1ncc(cc1O)Br)c2ccccc2 62a_100010210634_100000756946 [0,2,0,0,0,0|2,0,0]=4 8063 B19R2.4537 CC(CSc1ncc(cc1O)Cl)c2ccccc2 62a_100000756946_100010233512 [0,2,0,0,0,0|2,0,0]=4 8064 B19R2.4537 CC(CSc1ncc(cc1O)Cl)c2ccccc2 62a_100010233512_100000756946 [0,2,0,0,0,0|2,0,0]=4 8065 B19R2.4537 CC(CSc1ncc(cc1O)F)c2ccccc2 62a_100000756946_100000079967 [0,2,0,0,0,0|2,0,0]=4 8066 B19R2.4537 CC(CSc1ncc(cc1O)F)c2ccccc2 62a_100009820119_100000756946 [0,2,0,0,0,0|2,0,0]=4 8067 B19R2.4537 Cc1cc(=O)[nH]nc1SCC(O)c2ccccc2 62a_100000185958_100000081757 [0,2,0,0,0,0|2,0,0]=4 8068 B19R2.4537 Cc1cc(=O)[nH]nc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000081757 [0,2,0,0,0,0|2,0,0]=4 8069 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)Br 34a_100000211769_100000756946 [0,2,0,0,0,0|2,0,0]=4 8070 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)Br 7a_100000211769_100000756946 [0,2,0,0,0,0|2,0,0]=4 8071 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)Cl 34a_100000210418_100000756946 [0,2,0,0,0,0|2,0,0]=4 8072 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)Cl 7a_100000210418_100000756946 [0,2,0,0,0,0|2,0,0]=4 8073 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)F 34a_100000211637_100000756946 [0,2,0,0,0,0|2,0,0]=4 8074 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)F 7a_100000211637_100000756946 [0,2,0,0,0,0|2,0,0]=4 8075 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)I 34a_100000184554_100000756946 [0,2,0,0,0,0|2,0,0]=4 8076 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)I 7a_100000184554_100000756946 [0,2,0,0,0,0|2,0,0]=4 8077 B19R2.4537 Cc1cc(ccc1NCC(C)c2ccccc2)O 34a_100000756630_100000756946 [0,2,0,0,0,0|2,0,0]=4 8078 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)Br 34a_100000211769_100000185958 [0,2,0,0,0,0|1,0,0]=3 8079 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)Br 7a_100000211769_100000185958 [0,2,0,0,0,0|1,0,0]=3 8080 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)Cl 34a_100000210418_100000185958 [0,2,0,0,0,0|1,0,0]=3 8081 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)Cl 7a_100000210418_100000185958 [0,2,0,0,0,0|1,0,0]=3 8082 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)F 34a_100000211637_100000185958 [0,2,0,0,0,0|1,0,0]=3 8083 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)F 7a_100000211637_100000185958 [0,2,0,0,0,0|1,0,0]=3 8084 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)I 34a_100000184554_100000185958 [0,2,0,0,0,0|1,0,0]=3 8085 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)I 7a_100000184554_100000185958 [0,2,0,0,0,0|1,0,0]=3 8086 B19R2.4537 Cc1cc(ccc1NCC(O)c2ccccc2)O 34a_100000756630_100000185958 [0,2,0,0,0,0|1,0,0]=3 8087 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)Br 34a_100000211769_100011933945 [0,2,0,0,0,0|1,0,0]=3 8088 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)Br 7a_100000211769_100011933945 [0,2,0,0,0,0|1,0,0]=3 8089 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)Cl 34a_100000210418_100011933945 [0,2,0,0,0,0|1,0,0]=3 8090 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)Cl 7a_100000210418_100011933945 [0,2,0,0,0,0|1,0,0]=3 8091 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)F 34a_100000211637_100011933945 [0,2,0,0,0,0|1,0,0]=3 8092 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)F 7a_100000211637_100011933945 [0,2,0,0,0,0|1,0,0]=3 8093 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)I 34a_100000184554_100011933945 [0,2,0,0,0,0|1,0,0]=3 8094 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)I 7a_100000184554_100011933945 [0,2,0,0,0,0|1,0,0]=3 8095 B19R2.4537 Cc1cc(ccc1NC[C@@H](O)c2ccccc2)O 34a_100000756630_100011933945 [0,2,0,0,0,0|1,0,0]=3 8096 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)Br 34a_100000186361_100000185958 [0,2,0,0,0,0|2,0,0]=4 8097 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)Br 7a_100000186361_100000185958 [0,2,0,0,0,0|2,0,0]=4 8098 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)Cl 34a_100000211091_100000185958 [0,2,0,0,0,0|2,0,0]=4 8099 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)Cl 7a_100000211091_100000185958 [0,2,0,0,0,0|2,0,0]=4 8100 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)F 34a_100000764316_100000185958 [0,2,0,0,0,0|2,0,0]=4 8101 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)F 7a_100000764316_100000185958 [0,2,0,0,0,0|2,0,0]=4 8102 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)I 34a_100011218673_100000185958 [0,2,0,0,0,0|2,0,0]=4 8103 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)I 7a_100011218673_100000185958 [0,2,0,0,0,0|2,0,0]=4 8104 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)N 34a_100011218179_100000185958 [0,2,0,0,0,0|2,0,0]=4 8105 B19R2.4537 Cc1cc(ccc1OCC(O)c2ccccc2)N 7a_100011218179_100000185958 [0,2,0,0,0,0|2,0,0]=4 8106 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)Br 34a_100000186361_100011933945 [0,2,0,0,0,0|2,0,0]=4 8107 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)Br 7a_100000186361_100011933945 [0,2,0,0,0,0|2,0,0]=4 8108 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)Cl 34a_100000211091_100011933945 [0,2,0,0,0,0|2,0,0]=4 8109 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)Cl 7a_100000211091_100011933945 [0,2,0,0,0,0|2,0,0]=4 8110 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)F 34a_100000764316_100011933945 [0,2,0,0,0,0|2,0,0]=4 8111 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)F 7a_100000764316_100011933945 [0,2,0,0,0,0|2,0,0]=4 8112 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)I 34a_100011218673_100011933945 [0,2,0,0,0,0|2,0,0]=4 8113 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)I 7a_100011218673_100011933945 [0,2,0,0,0,0|2,0,0]=4 8114 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)N 34a_100011218179_100011933945 [0,2,0,0,0,0|2,0,0]=4 8115 B19R2.4537 Cc1cc(ccc1OC[C@@H](O)c2ccccc2)N 7a_100011218179_100011933945 [0,2,0,0,0,0|2,0,0]=4 8116 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)Br 62a_100000185958_100000701812 [0,2,0,0,0,0|2,0,0]=4 8117 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)Br 62a_100000701812_100000185958 [0,2,0,0,0,0|2,0,0]=4 8118 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)Cl 62a_100000185958_100011219607 [0,2,0,0,0,0|2,0,0]=4 8119 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)Cl 62a_100011219607_100000185958 [0,2,0,0,0,0|2,0,0]=4 8120 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)F 62a_100000185958_100011205405 [0,2,0,0,0,0|2,0,0]=4 8121 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)F 62a_100011205405_100000185958 [0,2,0,0,0,0|2,0,0]=4 8122 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)N 62a_100000185958_100000210723 [0,2,0,0,0,0|2,0,0]=4 8123 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)N 62a_100000210723_100000185958 [0,2,0,0,0,0|2,0,0]=4 8124 B19R2.4537 Cc1cc(ccc1SCC(O)c2ccccc2)O 62a_100000185958_100000690111 [0,2,0,0,0,0|2,0,0]=4 8125 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)Br 62a_100000701812_100011933945 [0,2,0,0,0,0|2,0,0]=4 8126 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100000701812 [0,2,0,0,0,0|2,0,0]=4 8127 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011219607_100011933945 [0,2,0,0,0,0|2,0,0]=4 8128 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100011219607 [0,2,0,0,0,0|2,0,0]=4 8129 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100011205405_100011933945 [0,2,0,0,0,0|2,0,0]=4 8130 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100011205405 [0,2,0,0,0,0|2,0,0]=4 8131 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)N 62a_100000210723_100011933945 [0,2,0,0,0,0|2,0,0]=4 8132 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000210723 [0,2,0,0,0,0|2,0,0]=4 8133 B19R2.4537 Cc1cc(ccc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100000690111 [0,2,0,0,0,0|2,0,0]=4 8134 B19R2.4537 Cc1cc(cnc1OCC(C)c2ccccc2)Br 34a_100000685391_100000756946 [0,2,0,0,0,0|2,0,0]=4 8135 B19R2.4537 Cc1cc(cnc1OCC(O)c2ccccc2)Br 34a_100000685391_100000185958 [0,2,0,0,0,0|1,0,0]=3 8136 B19R2.4537 Cc1cc(cnc1OC[C@@H](O)c2ccccc2)Br 34a_100000685391_100011933945 [0,2,0,0,0,0|1,0,0]=3 8137 B19R2.4537 Cc1cc(cnc1SCC(C)c2ccccc2)F 62a_100000756946_100009817009 [0,2,0,0,0,0|2,0,0]=4 8138 B19R2.4537 Cc1cc(cnc1SCC(C)c2ccccc2)F 62a_100009817009_100000756946 [0,2,0,0,0,0|2,0,0]=4 8139 B19R2.4537 Cc1cc(cnc1SCC(C)c2ccccc2)N 62a_100000756946_100000761747 [0,2,0,0,0,0|2,0,0]=4 8140 B19R2.4537 Cc1cc(cnc1SCC(C)c2ccccc2)N 62a_100000761747_100000756946 [0,2,0,0,0,0|2,0,0]=4 8141 B19R2.4537 Cc1cc(cnc1SCC(C)c2ccccc2)O 62a_100000756946_100012000486 [0,2,0,0,0,0|2,0,0]=4 8142 B19R2.4537 Cc1cc(cnc1SCC(C)c2ccccc2)O 62a_100012000486_100000756946 [0,2,0,0,0,0|2,0,0]=4 8143 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)Br 62a_100000185958_100012353652 [0,2,0,0,0,0|1,0,0]=3 8144 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)Br 62a_100012353652_100000185958 [0,2,0,0,0,0|1,0,0]=3 8145 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)F 62a_100000185958_100009817009 [0,2,0,0,0,0|1,0,0]=3 8146 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)F 62a_100009817009_100000185958 [0,2,0,0,0,0|1,0,0]=3 8147 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)N 62a_100000185958_100000761747 [0,2,0,0,0,0|1,0,0]=3 8148 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)N 62a_100000761747_100000185958 [0,2,0,0,0,0|1,0,0]=3 8149 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)O 62a_100000185958_100012000486 [0,2,0,0,0,0|1,0,0]=3 8150 B19R2.4537 Cc1cc(cnc1SCC(O)c2ccccc2)O 62a_100012000486_100000185958 [0,2,0,0,0,0|1,0,0]=3 8151 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100012353652 [0,2,0,0,0,0|1,0,0]=3 8152 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)Br 62a_100012353652_100011933945 [0,2,0,0,0,0|1,0,0]=3 8153 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)F 62a_100009817009_100011933945 [0,2,0,0,0,0|1,0,0]=3 8154 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009817009 [0,2,0,0,0,0|1,0,0]=3 8155 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)N 62a_100000761747_100011933945 [0,2,0,0,0,0|1,0,0]=3 8156 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000761747 [0,2,0,0,0,0|1,0,0]=3 8157 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100012000486 [0,2,0,0,0,0|1,0,0]=3 8158 B19R2.4537 Cc1cc(cnc1SC[C@@H](O)c2ccccc2)O 62a_100012000486_100011933945 [0,2,0,0,0,0|1,0,0]=3 8159 B19R2.4537 Cc1cc(nnc1SCC(O)c2ccccc2)N 62a_100000123434_100000185958 [0,2,0,0,0,0|2,0,0]=4 8160 B19R2.4537 Cc1cc(nnc1SCC(O)c2ccccc2)N 62a_100000185958_100000123434 [0,2,0,0,0,0|2,0,0]=4 8161 B19R2.4537 Cc1cc(nnc1SC[C@@H](O)c2ccccc2)N 62a_100000123434_100011933945 [0,2,0,0,0,0|2,0,0]=4 8162 B19R2.4537 Cc1cc(nnc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000123434 [0,2,0,0,0,0|2,0,0]=4 8163 B19R2.4537 Cc1ccc([n+](c1)[O-])SCC(O)c2ccccc2 62a_100000185958_100009819918 [0,2,0,0,0,0|1,0,1]=4 8164 B19R2.4537 Cc1ccc([n+](c1)[O-])SC[C@@H](O)c2ccccc2 62a_100011933945_100009819918 [0,2,0,0,0,0|1,0,1]=4 8165 B19R2.4537 Cc1ccc(c(c1)Br)NCC(C)c2ccccc2 34a_100000210942_100000756946 [0,2,0,0,0,0|2,0,0]=4 8166 B19R2.4537 Cc1ccc(c(c1)Br)NCC(O)c2ccccc2 34a_100000210942_100000185958 [0,2,0,0,0,0|1,0,0]=3 8167 B19R2.4537 Cc1ccc(c(c1)Br)NC[C@@H](O)c2ccccc2 34a_100000210942_100011933945 [0,2,0,0,0,0|1,0,0]=3 8168 B19R2.4537 Cc1ccc(c(c1)Br)OCC(O)c2ccccc2 34a_100000210800_100000185958 [0,2,0,0,0,0|2,0,0]=4 8169 B19R2.4537 Cc1ccc(c(c1)Br)OCC(O)c2ccccc2 7a_100000210800_100000185958 [0,2,0,0,0,0|2,0,0]=4 8170 B19R2.4537 Cc1ccc(c(c1)Br)OC[C@@H](O)c2ccccc2 34a_100000210800_100011933945 [0,2,0,0,0,0|2,0,0]=4 8171 B19R2.4537 Cc1ccc(c(c1)Br)OC[C@@H](O)c2ccccc2 7a_100000210800_100011933945 [0,2,0,0,0,0|2,0,0]=4 8172 B19R2.4537 Cc1ccc(c(c1)Br)SCC(O)c2ccccc2 62a_100000185958_100009813563 [0,2,0,0,0,0|2,0,0]=4 8173 B19R2.4537 Cc1ccc(c(c1)Br)SCC(O)c2ccccc2 62a_100009813563_100000185958 [0,2,0,0,0,0|2,0,0]=4 8174 B19R2.4537 Cc1ccc(c(c1)Br)SC[C@@H](O)c2ccccc2 62a_100009813563_100011933945 [0,2,0,0,0,0|2,0,0]=4 8175 B19R2.4537 Cc1ccc(c(c1)Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100009813563 [0,2,0,0,0,0|2,0,0]=4 8176 B19R2.4537 Cc1ccc(c(c1)C)NCC(C)c2ccccc2 34a_100000736561_100000756946 [0,2,0,0,0,0|2,0,0]=4 8177 B19R2.4537 Cc1ccc(c(c1)C)NCC(C)c2ccccc2 7a_100000736561_100000756946 [0,2,0,0,0,0|2,0,0]=4 8178 B19R2.4537 Cc1ccc(c(c1)C)NCC(O)c2ccccc2 34a_100000736561_100000185958 [0,2,0,0,0,0|1,0,0]=3 8179 B19R2.4537 Cc1ccc(c(c1)C)NCC(O)c2ccccc2 7a_100000736561_100000185958 [0,2,0,0,0,0|1,0,0]=3 8180 B19R2.4537 Cc1ccc(c(c1)C)NC[C@@H](O)c2ccccc2 34a_100000736561_100011933945 [0,2,0,0,0,0|1,0,0]=3 8181 B19R2.4537 Cc1ccc(c(c1)C)NC[C@@H](O)c2ccccc2 7a_100000736561_100011933945 [0,2,0,0,0,0|1,0,0]=3 8182 B19R2.4537 Cc1ccc(c(c1)C)OCC(O)c2ccccc2 34a_100000211776_100000185958 [0,2,0,0,0,0|2,0,0]=4 8183 B19R2.4537 Cc1ccc(c(c1)C)OCC(O)c2ccccc2 7a_100000211776_100000185958 [0,2,0,0,0,0|2,0,0]=4 8184 B19R2.4537 Cc1ccc(c(c1)C)OC[C@@H](O)c2ccccc2 34a_100000211776_100011933945 [0,2,0,0,0,0|2,0,0]=4 8185 B19R2.4537 Cc1ccc(c(c1)C)OC[C@@H](O)c2ccccc2 7a_100000211776_100011933945 [0,2,0,0,0,0|2,0,0]=4 8186 B19R2.4537 Cc1ccc(c(c1)C)SCC(O)c2ccccc2 62a_100000185958_100011217332 [0,2,0,0,0,0|2,0,0]=4 8187 B19R2.4537 Cc1ccc(c(c1)C)SCC(O)c2ccccc2 62a_100011217332_100000185958 [0,2,0,0,0,0|2,0,0]=4 8188 B19R2.4537 Cc1ccc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100011217332_100011933945 [0,2,0,0,0,0|2,0,0]=4 8189 B19R2.4537 Cc1ccc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100011933945_100011217332 [0,2,0,0,0,0|2,0,0]=4 8190 B19R2.4537 Cc1ccc(c(c1)Cl)NCC(C)c2ccccc2 34a_100000210522_100000756946 [0,2,0,0,0,0|2,0,0]=4 8191 B19R2.4537 Cc1ccc(c(c1)Cl)NCC(O)c2ccccc2 34a_100000210522_100000185958 [0,2,0,0,0,0|1,0,0]=3 8192 B19R2.4537 Cc1ccc(c(c1)Cl)NC[C@@H](O)c2ccccc2 34a_100000210522_100011933945 [0,2,0,0,0,0|1,0,0]=3 8193 B19R2.4537 Cc1ccc(c(c1)Cl)OCC(O)c2ccccc2 34a_100000749699_100000185958 [0,2,0,0,0,0|2,0,0]=4 8194 B19R2.4537 Cc1ccc(c(c1)Cl)OCC(O)c2ccccc2 7a_100000749699_100000185958 [0,2,0,0,0,0|2,0,0]=4 8195 B19R2.4537 Cc1ccc(c(c1)Cl)OC[C@@H](O)c2ccccc2 34a_100000749699_100011933945 [0,2,0,0,0,0|2,0,0]=4 8196 B19R2.4537 Cc1ccc(c(c1)Cl)OC[C@@H](O)c2ccccc2 7a_100000749699_100011933945 [0,2,0,0,0,0|2,0,0]=4 8197 B19R2.4537 Cc1ccc(c(c1)Cl)SCC(O)c2ccccc2 62a_100000185958_100011263221 [0,2,0,0,0,0|2,0,0]=4 8198 B19R2.4537 Cc1ccc(c(c1)Cl)SCC(O)c2ccccc2 62a_100011263221_100000185958 [0,2,0,0,0,0|2,0,0]=4 8199 B19R2.4537 Cc1ccc(c(c1)Cl)SC[C@@H](O)c2ccccc2 62a_100011263221_100011933945 [0,2,0,0,0,0|2,0,0]=4 8200 B19R2.4537 Cc1ccc(c(c1)Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100011263221 [0,2,0,0,0,0|2,0,0]=4 8201 B19R2.4537 Cc1ccc(c(c1)F)NCC(C)c2ccccc2 34a_100000211023_100000756946 [0,2,0,0,0,0|2,0,0]=4 8202 B19R2.4537 Cc1ccc(c(c1)F)NCC(O)c2ccccc2 34a_100000211023_100000185958 [0,2,0,0,0,0|1,0,0]=3 8203 B19R2.4537 Cc1ccc(c(c1)F)NC[C@@H](O)c2ccccc2 34a_100000211023_100011933945 [0,2,0,0,0,0|1,0,0]=3 8204 B19R2.4537 Cc1ccc(c(c1)F)OCC(O)c2ccccc2 34a_100011216688_100000185958 [0,2,0,0,0,0|2,0,0]=4 8205 B19R2.4537 Cc1ccc(c(c1)F)OCC(O)c2ccccc2 7a_100011216688_100000185958 [0,2,0,0,0,0|2,0,0]=4 8206 B19R2.4537 Cc1ccc(c(c1)F)OC[C@@H](O)c2ccccc2 34a_100011216688_100011933945 [0,2,0,0,0,0|2,0,0]=4 8207 B19R2.4537 Cc1ccc(c(c1)F)OC[C@@H](O)c2ccccc2 7a_100011216688_100011933945 [0,2,0,0,0,0|2,0,0]=4 8208 B19R2.4537 Cc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100011216119 [0,2,0,0,0,0|2,0,0]=4 8209 B19R2.4537 Cc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100011216119_100000185958 [0,2,0,0,0,0|2,0,0]=4 8210 B19R2.4537 Cc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011216119_100011933945 [0,2,0,0,0,0|2,0,0]=4 8211 B19R2.4537 Cc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011216119 [0,2,0,0,0,0|2,0,0]=4 8212 B19R2.4537 Cc1ccc(c(c1)I)NCC(C)c2ccccc2 34a_100011356834_100000756946 [0,2,0,0,0,0|2,0,0]=4 8213 B19R2.4537 Cc1ccc(c(c1)I)NCC(O)c2ccccc2 34a_100011356834_100000185958 [0,2,0,0,0,0|1,0,0]=3 8214 B19R2.4537 Cc1ccc(c(c1)I)NC[C@@H](O)c2ccccc2 34a_100011356834_100011933945 [0,2,0,0,0,0|1,0,0]=3 8215 B19R2.4537 Cc1ccc(c(c1)I)OCC(O)c2ccccc2 34a_100000765521_100000185958 [0,2,0,0,0,0|2,0,0]=4 8216 B19R2.4537 Cc1ccc(c(c1)I)OCC(O)c2ccccc2 7a_100000765521_100000185958 [0,2,0,0,0,0|2,0,0]=4 8217 B19R2.4537 Cc1ccc(c(c1)I)OC[C@@H](O)c2ccccc2 34a_100000765521_100011933945 [0,2,0,0,0,0|2,0,0]=4 8218 B19R2.4537 Cc1ccc(c(c1)I)OC[C@@H](O)c2ccccc2 7a_100000765521_100011933945 [0,2,0,0,0,0|2,0,0]=4 8219 B19R2.4537 Cc1ccc(c(c1)N)OCC(O)c2ccccc2 34a_100011215204_100000185958 [0,2,0,0,0,0|2,0,0]=4 8220 B19R2.4537 Cc1ccc(c(c1)N)OCC(O)c2ccccc2 7a_100011215204_100000185958 [0,2,0,0,0,0|2,0,0]=4 8221 B19R2.4537 Cc1ccc(c(c1)N)OC[C@@H](O)c2ccccc2 34a_100011215204_100011933945 [0,2,0,0,0,0|2,0,0]=4 8222 B19R2.4537 Cc1ccc(c(c1)N)OC[C@@H](O)c2ccccc2 7a_100011215204_100011933945 [0,2,0,0,0,0|2,0,0]=4 8223 B19R2.4537 Cc1ccc(c(c1)N)SCC(O)c2ccccc2 62a_100000185958_100011216686 [0,2,0,0,0,0|2,0,0]=4 8224 B19R2.4537 Cc1ccc(c(c1)N)SCC(O)c2ccccc2 62a_100011216686_100000185958 [0,2,0,0,0,0|2,0,0]=4 8225 B19R2.4537 Cc1ccc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_100011216686_100011933945 [0,2,0,0,0,0|2,0,0]=4 8226 B19R2.4537 Cc1ccc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_100011933945_100011216686 [0,2,0,0,0,0|2,0,0]=4 8227 B19R2.4537 Cc1ccc(c(c1)O)NCC(C)c2ccccc2 34a_100000211527_100000756946 [0,2,0,0,0,0|2,0,0]=4 8228 B19R2.4537 Cc1ccc(c(c1)O)NCC(O)c2ccccc2 34a_100000211527_100000185958 [0,2,0,0,0,0|1,0,0]=3 8229 B19R2.4537 Cc1ccc(c(c1)O)NC[C@@H](O)c2ccccc2 34a_100000211527_100011933945 [0,2,0,0,0,0|1,0,0]=3 8230 B19R2.4537 Cc1ccc(c(c1)O)SCC(O)c2ccccc2 62a_100000185958_100012002257 [0,2,0,0,0,0|2,0,0]=4 8231 B19R2.4537 Cc1ccc(c(c1)O)SCC(O)c2ccccc2 62a_100012002257_100000185958 [0,2,0,0,0,0|2,0,0]=4 8232 B19R2.4537 Cc1ccc(c(c1)O)SC[C@@H](O)c2ccccc2 62a_100011933945_100012002257 [0,2,0,0,0,0|2,0,0]=4 8233 B19R2.4537 Cc1ccc(c(c1)O)SC[C@@H](O)c2ccccc2 62a_100012002257_100011933945 [0,2,0,0,0,0|2,0,0]=4 8234 B19R2.4537 Cc1cnc(c(c1)Br)OCC(C)c2ccccc2 34a_100000719714_100000756946 [0,2,0,0,0,0|2,0,0]=4 8235 B19R2.4537 Cc1cnc(c(c1)Br)OCC(O)c2ccccc2 34a_100000719714_100000185958 [0,2,0,0,0,0|1,0,0]=3 8236 B19R2.4537 Cc1cnc(c(c1)Br)OC[C@@H](O)c2ccccc2 34a_100000719714_100011933945 [0,2,0,0,0,0|1,0,0]=3 8237 B19R2.4537 Cc1cnc(c(c1)C)SCC(C)c2ccccc2 62a_100000756946_100009864548 [0,2,0,0,0,0|2,0,0]=4 8238 B19R2.4537 Cc1cnc(c(c1)C)SCC(C)c2ccccc2 62a_100009864548_100000756946 [0,2,0,0,0,0|2,0,0]=4 8239 B19R2.4537 Cc1cnc(c(c1)C)SCC(O)c2ccccc2 62a_100000185958_100009864548 [0,2,0,0,0,0|1,0,0]=3 8240 B19R2.4537 Cc1cnc(c(c1)C)SCC(O)c2ccccc2 62a_100009864548_100000185958 [0,2,0,0,0,0|1,0,0]=3 8241 B19R2.4537 Cc1cnc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100009864548_100011933945 [0,2,0,0,0,0|1,0,0]=3 8242 B19R2.4537 Cc1cnc(c(c1)C)SC[C@@H](O)c2ccccc2 62a_100011933945_100009864548 [0,2,0,0,0,0|1,0,0]=3 8243 B19R2.4537 Cc1cnc(c(c1)F)SCC(C)c2ccccc2 62a_100000756946_100009819633 [0,2,0,0,0,0|2,0,0]=4 8244 B19R2.4537 Cc1cnc(c(c1)F)SCC(C)c2ccccc2 62a_100009819633_100000756946 [0,2,0,0,0,0|2,0,0]=4 8245 B19R2.4537 Cc1cnc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100009819633 [0,2,0,0,0,0|1,0,0]=3 8246 B19R2.4537 Cc1cnc(c(c1)F)SCC(O)c2ccccc2 62a_100009819633_100000185958 [0,2,0,0,0,0|1,0,0]=3 8247 B19R2.4537 Cc1cnc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100009819633_100011933945 [0,2,0,0,0,0|1,0,0]=3 8248 B19R2.4537 Cc1cnc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009819633 [0,2,0,0,0,0|1,0,0]=3 8249 B19R2.4537 Cc1cnc(c(c1)N)OCC(C)c2ccccc2 34a_100012000488_100000756946 [0,2,0,0,0,0|2,0,0]=4 8250 B19R2.4537 Cc1cnc(c(c1)N)OCC(O)c2ccccc2 34a_100012000488_100000185958 [0,2,0,0,0,0|1,0,0]=3 8251 B19R2.4537 Cc1cnc(c(c1)N)OC[C@@H](O)c2ccccc2 34a_100012000488_100011933945 [0,2,0,0,0,0|1,0,0]=3 8252 B19R2.4537 Cc1cnc(c(c1)N)SCC(C)c2ccccc2 62a_100000733613_100000756946 [0,2,0,0,0,0|2,0,0]=4 8253 B19R2.4537 Cc1cnc(c(c1)N)SCC(C)c2ccccc2 62a_100000756946_100000733613 [0,2,0,0,0,0|2,0,0]=4 8254 B19R2.4537 Cc1cnc(c(c1)N)SCC(O)c2ccccc2 62a_100000185958_100000733613 [0,2,0,0,0,0|1,0,0]=3 8255 B19R2.4537 Cc1cnc(c(c1)N)SCC(O)c2ccccc2 62a_100000733613_100000185958 [0,2,0,0,0,0|1,0,0]=3 8256 B19R2.4537 Cc1cnc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_100000733613_100011933945 [0,2,0,0,0,0|1,0,0]=3 8257 B19R2.4537 Cc1cnc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000733613 [0,2,0,0,0,0|1,0,0]=3 8258 B19R2.4537 Cc1cnc(c(c1)O)SCC(C)c2ccccc2 62a_100000756946_100012000487 [0,2,0,0,0,0|2,0,0]=4 8259 B19R2.4537 Cc1cnc(c(c1)O)SCC(O)c2ccccc2 62a_100000185958_100012000487 [0,2,0,0,0,0|1,0,0]=3 8260 B19R2.4537 Cc1cnc(c(c1)O)SC[C@@H](O)c2ccccc2 62a_100011933945_100012000487 [0,2,0,0,0,0|1,0,0]=3 8261 B19R2.4537 Cc1cnc(c(n1)C)SCC(O)c2ccccc2 62a_100000065684_100000185958 [0,2,0,0,0,0|2,0,0]=4 8262 B19R2.4537 Cc1cnc(c(n1)C)SCC(O)c2ccccc2 62a_100000185958_100000065684 [0,2,0,0,0,0|2,0,0]=4 8263 B19R2.4537 Cc1cnc(c(n1)C)SC[C@@H](O)c2ccccc2 62a_100000065684_100011933945 [0,2,0,0,0,0|2,0,0]=4 8264 B19R2.4537 Cc1cnc(c(n1)C)SC[C@@H](O)c2ccccc2 62a_100011933945_100000065684 [0,2,0,0,0,0|2,0,0]=4 8265 B19R2.4537 Cc1nc(cnc1SCC(O)c2ccccc2)N 62a_100000185958_100009818570 [0,2,0,0,0,0|2,0,0]=4 8266 B19R2.4537 Cc1nc(cnc1SCC(O)c2ccccc2)N 62a_100009818570_100000185958 [0,2,0,0,0,0|2,0,0]=4 8267 B19R2.4537 Cc1nc(cnc1SC[C@@H](O)c2ccccc2)N 62a_100009818570_100011933945 [0,2,0,0,0,0|2,0,0]=4 8268 B19R2.4537 Cc1nc(cnc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100009818570 [0,2,0,0,0,0|2,0,0]=4 8269 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)Br 34a_100000752626_100000185958 [0,2,0,0,0,0|2,0,0]=4 8270 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)Br 7a_100000752626_100000185958 [0,2,0,0,0,0|2,0,0]=4 8271 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)Cl 34a_100000210500_100000185958 [0,2,0,0,0,0|2,0,0]=4 8272 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)Cl 7a_100000210500_100000185958 [0,2,0,0,0,0|2,0,0]=4 8273 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)F 34a_100000759472_100000185958 [0,2,0,0,0,0|2,0,0]=4 8274 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)F 7a_100000759472_100000185958 [0,2,0,0,0,0|2,0,0]=4 8275 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)I 34a_100000753495_100000185958 [0,2,0,0,0,0|2,0,0]=4 8276 B19R2.4537 Nc1cc(ccc1OCC(O)c2ccccc2)I 7a_100000753495_100000185958 [0,2,0,0,0,0|2,0,0]=4 8277 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)Br 34a_100000752626_100011933945 [0,2,0,0,0,0|2,0,0]=4 8278 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)Br 7a_100000752626_100011933945 [0,2,0,0,0,0|2,0,0]=4 8279 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)Cl 34a_100000210500_100011933945 [0,2,0,0,0,0|2,0,0]=4 8280 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)Cl 7a_100000210500_100011933945 [0,2,0,0,0,0|2,0,0]=4 8281 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)F 34a_100000759472_100011933945 [0,2,0,0,0,0|2,0,0]=4 8282 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)F 7a_100000759472_100011933945 [0,2,0,0,0,0|2,0,0]=4 8283 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)I 34a_100000753495_100011933945 [0,2,0,0,0,0|2,0,0]=4 8284 B19R2.4537 Nc1cc(ccc1OC[C@@H](O)c2ccccc2)I 7a_100000753495_100011933945 [0,2,0,0,0,0|2,0,0]=4 8285 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)Br 62a_100000185958_100000743836 [0,2,0,0,0,0|2,0,0]=4 8286 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)Br 62a_100000743836_100000185958 [0,2,0,0,0,0|2,0,0]=4 8287 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)Cl 62a_100000185958_100000761886 [0,2,0,0,0,0|2,0,0]=4 8288 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)Cl 62a_100000761886_100000185958 [0,2,0,0,0,0|2,0,0]=4 8289 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)F 62a_100000185958_100000687223 [0,2,0,0,0,0|2,0,0]=4 8290 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)F 62a_100000687223_100000185958 [0,2,0,0,0,0|2,0,0]=4 8291 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)O 62a_100000185958_100011999798 [0,2,0,0,0,0|2,0,0]=4 8292 B19R2.4537 Nc1cc(ccc1SCC(O)c2ccccc2)O 62a_100011999798_100000185958 [0,2,0,0,0,0|2,0,0]=4 8293 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)Br 62a_100000743836_100011933945 [0,2,0,0,0,0|2,0,0]=4 8294 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100000743836 [0,2,0,0,0,0|2,0,0]=4 8295 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)Cl 62a_100000761886_100011933945 [0,2,0,0,0,0|2,0,0]=4 8296 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000761886 [0,2,0,0,0,0|2,0,0]=4 8297 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100000687223_100011933945 [0,2,0,0,0,0|2,0,0]=4 8298 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000687223 [0,2,0,0,0,0|2,0,0]=4 8299 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011999798 [0,2,0,0,0,0|2,0,0]=4 8300 B19R2.4537 Nc1cc(ccc1SC[C@@H](O)c2ccccc2)O 62a_100011999798_100011933945 [0,2,0,0,0,0|2,0,0]=4 8301 B19R2.4537 Nc1cc(cnc1OCC(O)c2ccccc2)Br 34a_100000743729_100000185958 [0,2,0,0,0,0|1,0,0]=3 8302 B19R2.4537 Nc1cc(cnc1OCC(O)c2ccccc2)Cl 34a_100011998249_100000185958 [0,2,0,0,0,0|1,0,0]=3 8303 B19R2.4537 Nc1cc(cnc1OC[C@@H](O)c2ccccc2)Br 34a_100000743729_100011933945 [0,2,0,0,0,0|1,0,0]=3 8304 B19R2.4537 Nc1cc(cnc1OC[C@@H](O)c2ccccc2)Cl 34a_100011998249_100011933945 [0,2,0,0,0,0|1,0,0]=3 8305 B19R2.4537 Nc1cc(cnc1SCC(O)c2ccccc2)Br 62a_100000185958_100010090555 [0,2,0,0,0,0|1,0,0]=3 8306 B19R2.4537 Nc1cc(cnc1SCC(O)c2ccccc2)Br 62a_100010090555_100000185958 [0,2,0,0,0,0|1,0,0]=3 8307 B19R2.4537 Nc1cc(cnc1SCC(O)c2ccccc2)F 62a_100000185958_100009817643 [0,2,0,0,0,0|1,0,0]=3 8308 B19R2.4537 Nc1cc(cnc1SCC(O)c2ccccc2)F 62a_100009817643_100000185958 [0,2,0,0,0,0|1,0,0]=3 8309 B19R2.4537 Nc1cc(cnc1SC[C@@H](O)c2ccccc2)Br 62a_100010090555_100011933945 [0,2,0,0,0,0|1,0,0]=3 8310 B19R2.4537 Nc1cc(cnc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010090555 [0,2,0,0,0,0|1,0,0]=3 8311 B19R2.4537 Nc1cc(cnc1SC[C@@H](O)c2ccccc2)F 62a_100009817643_100011933945 [0,2,0,0,0,0|1,0,0]=3 8312 B19R2.4537 Nc1cc(cnc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009817643 [0,2,0,0,0,0|1,0,0]=3 8313 B19R2.4537 Nc1ccc(c(c1)Br)OCC(O)c2ccccc2 34a_100011534360_100000185958 [0,2,0,0,0,0|2,0,0]=4 8314 B19R2.4537 Nc1ccc(c(c1)Br)OCC(O)c2ccccc2 7a_100011534360_100000185958 [0,2,0,0,0,0|2,0,0]=4 8315 B19R2.4537 Nc1ccc(c(c1)Br)OC[C@@H](O)c2ccccc2 34a_100011534360_100011933945 [0,2,0,0,0,0|2,0,0]=4 8316 B19R2.4537 Nc1ccc(c(c1)Br)OC[C@@H](O)c2ccccc2 7a_100011534360_100011933945 [0,2,0,0,0,0|2,0,0]=4 8317 B19R2.4537 Nc1ccc(c(c1)Br)SCC(O)c2ccccc2 62a_100000185958_100000750458 [0,2,0,0,0,0|2,0,0]=4 8318 B19R2.4537 Nc1ccc(c(c1)Br)SCC(O)c2ccccc2 62a_100000750458_100000185958 [0,2,0,0,0,0|2,0,0]=4 8319 B19R2.4537 Nc1ccc(c(c1)Br)SC[C@@H](O)c2ccccc2 62a_100000750458_100011933945 [0,2,0,0,0,0|2,0,0]=4 8320 B19R2.4537 Nc1ccc(c(c1)Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100000750458 [0,2,0,0,0,0|2,0,0]=4 8321 B19R2.4537 Nc1ccc(c(c1)Cl)OCC(O)c2ccccc2 34a_100000744943_100000185958 [0,2,0,0,0,0|2,0,0]=4 8322 B19R2.4537 Nc1ccc(c(c1)Cl)OCC(O)c2ccccc2 7a_100000744943_100000185958 [0,2,0,0,0,0|2,0,0]=4 8323 B19R2.4537 Nc1ccc(c(c1)Cl)OC[C@@H](O)c2ccccc2 34a_100000744943_100011933945 [0,2,0,0,0,0|2,0,0]=4 8324 B19R2.4537 Nc1ccc(c(c1)Cl)OC[C@@H](O)c2ccccc2 7a_100000744943_100011933945 [0,2,0,0,0,0|2,0,0]=4 8325 B19R2.4537 Nc1ccc(c(c1)Cl)SCC(O)c2ccccc2 62a_100000185958_100000761885 [0,2,0,0,0,0|2,0,0]=4 8326 B19R2.4537 Nc1ccc(c(c1)Cl)SCC(O)c2ccccc2 62a_100000761885_100000185958 [0,2,0,0,0,0|2,0,0]=4 8327 B19R2.4537 Nc1ccc(c(c1)Cl)SC[C@@H](O)c2ccccc2 62a_100000761885_100011933945 [0,2,0,0,0,0|2,0,0]=4 8328 B19R2.4537 Nc1ccc(c(c1)Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100000761885 [0,2,0,0,0,0|2,0,0]=4 8329 B19R2.4537 Nc1ccc(c(c1)F)OCC(O)c2ccccc2 34a_100011220035_100000185958 [0,2,0,0,0,0|2,0,0]=4 8330 B19R2.4537 Nc1ccc(c(c1)F)OCC(O)c2ccccc2 7a_100011220035_100000185958 [0,2,0,0,0,0|2,0,0]=4 8331 B19R2.4537 Nc1ccc(c(c1)F)OC[C@@H](O)c2ccccc2 34a_100011220035_100011933945 [0,2,0,0,0,0|2,0,0]=4 8332 B19R2.4537 Nc1ccc(c(c1)F)OC[C@@H](O)c2ccccc2 7a_100011220035_100011933945 [0,2,0,0,0,0|2,0,0]=4 8333 B19R2.4537 Nc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100011356925 [0,2,0,0,0,0|2,0,0]=4 8334 B19R2.4537 Nc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100011356925_100000185958 [0,2,0,0,0,0|2,0,0]=4 8335 B19R2.4537 Nc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011356925_100011933945 [0,2,0,0,0,0|2,0,0]=4 8336 B19R2.4537 Nc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011356925 [0,2,0,0,0,0|2,0,0]=4 8337 B19R2.4537 Nc1ccc(c(c1)N)OCC(O)c2ccccc2 34a_100000725306_100000185958 [0,2,0,0,0,0|2,0,0]=4 8338 B19R2.4537 Nc1ccc(c(c1)N)OC[C@@H](O)c2ccccc2 34a_100000725306_100011933945 [0,2,0,0,0,0|2,0,0]=4 8339 B19R2.4537 Nc1ccc(c(c1)N)SCC(O)c2ccccc2 62a_100000185958_200012175722 [0,2,0,0,0,0|2,0,0]=4 8340 B19R2.4537 Nc1ccc(c(c1)N)SCC(O)c2ccccc2 62a_200012175722_100000185958 [0,2,0,0,0,0|2,0,0]=4 8341 B19R2.4537 Nc1ccc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_100011933945_200012175722 [0,2,0,0,0,0|2,0,0]=4 8342 B19R2.4537 Nc1ccc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_200012175722_100011933945 [0,2,0,0,0,0|2,0,0]=4 8343 B19R2.4537 Nc1cnc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100010280766 [0,2,0,0,0,0|1,0,0]=3 8344 B19R2.4537 Nc1cnc(c(c1)F)SCC(O)c2ccccc2 62a_100010280766_100000185958 [0,2,0,0,0,0|1,0,0]=3 8345 B19R2.4537 Nc1cnc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100010280766_100011933945 [0,2,0,0,0,0|1,0,0]=3 8346 B19R2.4537 Nc1cnc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100010280766 [0,2,0,0,0,0|1,0,0]=3 8347 B19R2.4537 Nc1cnc(c(c1)N)SCC(O)c2ccccc2 62a_100000185958_200000093520 [0,2,0,0,0,0|1,0,0]=3 8348 B19R2.4537 Nc1cnc(c(c1)N)SCC(O)c2ccccc2 62a_200000093520_100000185958 [0,2,0,0,0,0|1,0,0]=3 8349 B19R2.4537 Nc1cnc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_100011933945_200000093520 [0,2,0,0,0,0|1,0,0]=3 8350 B19R2.4537 Nc1cnc(c(c1)N)SC[C@@H](O)c2ccccc2 62a_200000093520_100011933945 [0,2,0,0,0,0|1,0,0]=3 8351 B19R2.4537 Nc1cnc(c(n1)Cl)SCC(O)c2ccccc2 62a_100000185958_100010116657 [0,2,0,0,0,0|2,0,0]=4 8352 B19R2.4537 Nc1cnc(c(n1)Cl)SCC(O)c2ccccc2 62a_100010116657_100000185958 [0,2,0,0,0,0|2,0,0]=4 8353 B19R2.4537 Nc1cnc(c(n1)Cl)SC[C@@H](O)c2ccccc2 62a_100010116657_100011933945 [0,2,0,0,0,0|2,0,0]=4 8354 B19R2.4537 Nc1cnc(c(n1)Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100010116657 [0,2,0,0,0,0|2,0,0]=4 8355 B19R2.4537 O=c1[nH]nc(c(=O)[nH]1)NCC(O)c2ccccc2 27a_100000210709_100000181694 [0,2,0,0,0,0|2,0,0]=4 8356 B19R2.4537 OC(CNc1ccc(cc1Br)Br)c2ccccc2 34a_100000211012_100000185958 [0,2,0,0,0,0|1,0,0]=3 8357 B19R2.4537 OC(CNc1ccc(cc1Br)Cl)c2ccccc2 34a_100000752454_100000185958 [0,2,0,0,0,0|1,0,0]=3 8358 B19R2.4537 OC(CNc1ccc(cc1Br)F)c2ccccc2 34a_100000738039_100000185958 [0,2,0,0,0,0|1,0,0]=3 8359 B19R2.4537 OC(CNc1ccc(cc1Cl)Br)c2ccccc2 34a_100000211467_100000185958 [0,2,0,0,0,0|1,0,0]=3 8360 B19R2.4537 OC(CNc1ccc(cc1Cl)Cl)c2ccccc2 34a_100000185861_100000185958 [0,2,0,0,0,0|1,0,0]=3 8361 B19R2.4537 OC(CNc1ccc(cc1Cl)F)c2ccccc2 34a_100000212003_100000185958 [0,2,0,0,0,0|1,0,0]=3 8362 B19R2.4537 OC(CNc1ccc(cc1Cl)I)c2ccccc2 34a_100011218065_100000185958 [0,2,0,0,0,0|1,0,0]=3 8363 B19R2.4537 OC(CNc1ccc(cc1F)Br)c2ccccc2 34a_100000210722_100000185958 [0,2,0,0,0,0|1,0,0]=3 8364 B19R2.4537 OC(CNc1ccc(cc1F)Cl)c2ccccc2 34a_100000211020_100000185958 [0,2,0,0,0,0|1,0,0]=3 8365 B19R2.4537 OC(CNc1ccc(cc1F)F)c2ccccc2 34a_100000210720_100000185958 [0,2,0,0,0,0|1,0,0]=3 8366 B19R2.4537 OC(CNc1ccc(cc1F)I)c2ccccc2 34a_100011215594_100000185958 [0,2,0,0,0,0|1,0,0]=3 8367 B19R2.4537 OC(CNc1ccc(cc1I)Br)c2ccccc2 34a_100000187925_100000185958 [0,2,0,0,0,0|1,0,0]=3 8368 B19R2.4537 OC(CNc1ccc(cc1I)Cl)c2ccccc2 34a_100000761889_100000185958 [0,2,0,0,0,0|1,0,0]=3 8369 B19R2.4537 OC(CNc1ccc(cc1I)F)c2ccccc2 34a_100000760547_100000185958 [0,2,0,0,0,0|1,0,0]=3 8370 B19R2.4537 OC(COc1ccc(cc1Br)Br)c2ccccc2 34a_100000188717_100000185958 [0,2,0,0,0,0|2,0,0]=4 8371 B19R2.4537 OC(COc1ccc(cc1Br)Br)c2ccccc2 7a_100000188717_100000185958 [0,2,0,0,0,0|2,0,0]=4 8372 B19R2.4537 OC(COc1ccc(cc1Br)Cl)c2ccccc2 34a_100000211998_100000185958 [0,2,0,0,0,0|2,0,0]=4 8373 B19R2.4537 OC(COc1ccc(cc1Br)Cl)c2ccccc2 7a_100000211998_100000185958 [0,2,0,0,0,0|2,0,0]=4 8374 B19R2.4537 OC(COc1ccc(cc1Br)F)c2ccccc2 34a_100000211999_100000185958 [0,2,0,0,0,0|2,0,0]=4 8375 B19R2.4537 OC(COc1ccc(cc1Br)F)c2ccccc2 7a_100000211999_100000185958 [0,2,0,0,0,0|2,0,0]=4 8376 B19R2.4537 OC(COc1ccc(cc1Br)I)c2ccccc2 34a_100012361655_100000185958 [0,2,0,0,0,0|2,0,0]=4 8377 B19R2.4537 OC(COc1ccc(cc1Br)I)c2ccccc2 7a_100012361655_100000185958 [0,2,0,0,0,0|2,0,0]=4 8378 B19R2.4537 OC(COc1ccc(cc1Cl)Br)c2ccccc2 34a_100000186472_100000185958 [0,2,0,0,0,0|2,0,0]=4 8379 B19R2.4537 OC(COc1ccc(cc1Cl)Br)c2ccccc2 7a_100000186472_100000185958 [0,2,0,0,0,0|2,0,0]=4 8380 B19R2.4537 OC(COc1ccc(cc1Cl)Cl)c2ccccc2 34a_100015191787_100000185958 [0,2,0,0,0,0|2,0,0]=4 8381 B19R2.4537 OC(COc1ccc(cc1Cl)Cl)c2ccccc2 7a_100015191787_100000185958 [0,2,0,0,0,0|2,0,0]=4 8382 B19R2.4537 OC(COc1ccc(cc1Cl)F)c2ccccc2 34a_100000212004_100000185958 [0,2,0,0,0,0|2,0,0]=4 8383 B19R2.4537 OC(COc1ccc(cc1Cl)F)c2ccccc2 7a_100000212004_100000185958 [0,2,0,0,0,0|2,0,0]=4 8384 B19R2.4537 OC(COc1ccc(cc1Cl)I)c2ccccc2 34a_100012360047_100000185958 [0,2,0,0,0,0|2,0,0]=4 8385 B19R2.4537 OC(COc1ccc(cc1Cl)I)c2ccccc2 7a_100012360047_100000185958 [0,2,0,0,0,0|2,0,0]=4 8386 B19R2.4537 OC(COc1ccc(cc1F)Br)c2ccccc2 34a_100000185481_100000185958 [0,2,0,0,0,0|2,0,0]=4 8387 B19R2.4537 OC(COc1ccc(cc1F)Br)c2ccccc2 7a_100000185481_100000185958 [0,2,0,0,0,0|2,0,0]=4 8388 B19R2.4537 OC(COc1ccc(cc1F)Cl)c2ccccc2 34a_100000230166_100000185958 [0,2,0,0,0,0|2,0,0]=4 8389 B19R2.4537 OC(COc1ccc(cc1F)Cl)c2ccccc2 7a_100000230166_100000185958 [0,2,0,0,0,0|2,0,0]=4 8390 B19R2.4537 OC(COc1ccc(cc1F)F)c2ccccc2 34a_100000230127_100000185958 [0,2,0,0,0,0|2,0,0]=4 8391 B19R2.4537 OC(COc1ccc(cc1F)F)c2ccccc2 7a_100000230127_100000185958 [0,2,0,0,0,0|2,0,0]=4 8392 B19R2.4537 OC(COc1ccc(cc1F)I)c2ccccc2 34a_100011356965_100000185958 [0,2,0,0,0,0|2,0,0]=4 8393 B19R2.4537 OC(COc1ccc(cc1F)I)c2ccccc2 7a_100011356965_100000185958 [0,2,0,0,0,0|2,0,0]=4 8394 B19R2.4537 OC(COc1ccc(cc1I)Br)c2ccccc2 34a_100012355227_100000185958 [0,2,0,0,0,0|2,0,0]=4 8395 B19R2.4537 OC(COc1ccc(cc1I)Br)c2ccccc2 7a_100012355227_100000185958 [0,2,0,0,0,0|2,0,0]=4 8396 B19R2.4537 OC(COc1ccc(cc1I)Cl)c2ccccc2 34a_100011356953_100000185958 [0,2,0,0,0,0|2,0,0]=4 8397 B19R2.4537 OC(COc1ccc(cc1I)Cl)c2ccccc2 7a_100011356953_100000185958 [0,2,0,0,0,0|2,0,0]=4 8398 B19R2.4537 OC(COc1ccc(cc1I)F)c2ccccc2 34a_100012355409_100000185958 [0,2,0,0,0,0|2,0,0]=4 8399 B19R2.4537 OC(COc1ccc(cc1I)F)c2ccccc2 7a_100012355409_100000185958 [0,2,0,0,0,0|2,0,0]=4 8400 B19R2.4537 OC(COc1ccc(cc1I)I)c2ccccc2 7a_100010001573_100000185958 [0,2,0,0,0,0|2,0,0]=4 8401 B19R2.4537 OC(COc1ncc(cc1Br)Br)c2ccccc2 34a_100000701035_100000185958 [0,2,0,0,0,0|1,0,0]=3 8402 B19R2.4537 OC(COc1ncc(cc1Cl)Br)c2ccccc2 34a_100012339560_100000185958 [0,2,0,0,0,0|1,0,0]=3 8403 B19R2.4537 OC(COc1ncc(cc1Cl)F)c2ccccc2 34a_100009847679_100000185958 [0,2,0,0,0,0|1,0,0]=3 8404 B19R2.4537 OC(COc1ncc(cc1F)Cl)c2ccccc2 34a_100011998252_100000185958 [0,2,0,0,0,0|1,0,0]=3 8405 B19R2.4537 OC(COc1ncc(cc1F)F)c2ccccc2 34a_100012025737_100000185958 [0,2,0,0,0,0|1,0,0]=3 8406 B19R2.4537 OC(COc1ncc(nc1Cl)Br)c2ccccc2 34a_100010734560_100000185958 [0,2,0,0,0,0|2,0,0]=4 8407 B19R2.4537 OC(CSc1ccc(cc1Br)Cl)c2ccccc2 62a_100000185958_100011219703 [0,2,0,0,0,0|2,0,0]=4 8408 B19R2.4537 OC(CSc1ccc(cc1Br)Cl)c2ccccc2 62a_100011219703_100000185958 [0,2,0,0,0,0|2,0,0]=4 8409 B19R2.4537 OC(CSc1ccc(cc1Br)F)c2ccccc2 62a_100000185958_100011217111 [0,2,0,0,0,0|2,0,0]=4 8410 B19R2.4537 OC(CSc1ccc(cc1Br)F)c2ccccc2 62a_100011217111_100000185958 [0,2,0,0,0,0|2,0,0]=4 8411 B19R2.4537 OC(CSc1ccc(cc1Cl)Br)c2ccccc2 62a_100000185958_100011216062 [0,2,0,0,0,0|2,0,0]=4 8412 B19R2.4537 OC(CSc1ccc(cc1Cl)Br)c2ccccc2 62a_100011216062_100000185958 [0,2,0,0,0,0|2,0,0]=4 8413 B19R2.4537 OC(CSc1ccc(cc1Cl)Cl)c2ccccc2 62a_100000185958_100000699841 [0,2,0,0,0,0|2,0,0]=4 8414 B19R2.4537 OC(CSc1ccc(cc1Cl)Cl)c2ccccc2 62a_100000699841_100000185958 [0,2,0,0,0,0|2,0,0]=4 8415 B19R2.4537 OC(CSc1ccc(cc1Cl)F)c2ccccc2 62a_100000185958_100000733362 [0,2,0,0,0,0|2,0,0]=4 8416 B19R2.4537 OC(CSc1ccc(cc1Cl)F)c2ccccc2 62a_100000733362_100000185958 [0,2,0,0,0,0|2,0,0]=4 8417 B19R2.4537 OC(CSc1ccc(cc1F)Br)c2ccccc2 62a_100000185958_100009814013 [0,2,0,0,0,0|2,0,0]=4 8418 B19R2.4537 OC(CSc1ccc(cc1F)Br)c2ccccc2 62a_100009814013_100000185958 [0,2,0,0,0,0|2,0,0]=4 8419 B19R2.4537 OC(CSc1ccc(cc1F)Cl)c2ccccc2 62a_100000185958_100011216042 [0,2,0,0,0,0|2,0,0]=4 8420 B19R2.4537 OC(CSc1ccc(cc1F)Cl)c2ccccc2 62a_100011216042_100000185958 [0,2,0,0,0,0|2,0,0]=4 8421 B19R2.4537 OC(CSc1ccc(cc1F)F)c2ccccc2 62a_100000185958_100000750030 [0,2,0,0,0,0|2,0,0]=4 8422 B19R2.4537 OC(CSc1ccc(cc1F)F)c2ccccc2 62a_100000750030_100000185958 [0,2,0,0,0,0|2,0,0]=4 8423 B19R2.4537 OC(CSc1ncc(cc1Br)Cl)c2ccccc2 62a_100000185958_100012154958 [0,2,0,0,0,0|1,0,0]=3 8424 B19R2.4537 OC(CSc1ncc(cc1Br)Cl)c2ccccc2 62a_100012154958_100000185958 [0,2,0,0,0,0|1,0,0]=3 8425 B19R2.4537 OC(CSc1ncc(cc1F)Br)c2ccccc2 62a_100000185958_100012348576 [0,2,0,0,0,0|1,0,0]=3 8426 B19R2.4537 OC(CSc1ncc(cc1F)Br)c2ccccc2 62a_100012348576_100000185958 [0,2,0,0,0,0|1,0,0]=3 8427 B19R2.4537 OC(CSc1ncc(cc1F)Cl)c2ccccc2 62a_100000185958_100012348686 [0,2,0,0,0,0|1,0,0]=3 8428 B19R2.4537 OC(CSc1ncc(cc1F)Cl)c2ccccc2 62a_100012348686_100000185958 [0,2,0,0,0,0|1,0,0]=3 8429 B19R2.4537 OC(CSc1ncc(cc1F)F)c2ccccc2 62a_100000185958_100011219543 [0,2,0,0,0,0|1,0,0]=3 8430 B19R2.4537 OC(CSc1ncc(cc1F)F)c2ccccc2 62a_100011219543_100000185958 [0,2,0,0,0,0|1,0,0]=3 8431 B19R2.4537 OC(CSc1ncc(nc1Br)Br)c2ccccc2 62a_100000185958_100010235571 [0,2,0,0,0,0|2,0,0]=4 8432 B19R2.4537 OC(CSc1ncc(nc1Br)Br)c2ccccc2 62a_100010235571_100000185958 [0,2,0,0,0,0|2,0,0]=4 8433 B19R2.4537 OC(CSc1ncc(nc1Cl)Cl)c2ccccc2 62a_100000185958_100010173851 [0,2,0,0,0,0|2,0,0]=4 8434 B19R2.4537 O[C@H](CNc1ccc(cc1Br)Br)c2ccccc2 34a_100000211012_100011933945 [0,2,0,0,0,0|1,0,0]=3 8435 B19R2.4537 O[C@H](CNc1ccc(cc1Br)Cl)c2ccccc2 34a_100000752454_100011933945 [0,2,0,0,0,0|1,0,0]=3 8436 B19R2.4537 O[C@H](CNc1ccc(cc1Br)F)c2ccccc2 34a_100000738039_100011933945 [0,2,0,0,0,0|1,0,0]=3 8437 B19R2.4537 O[C@H](CNc1ccc(cc1Cl)Br)c2ccccc2 34a_100000211467_100011933945 [0,2,0,0,0,0|1,0,0]=3 8438 B19R2.4537 O[C@H](CNc1ccc(cc1Cl)Cl)c2ccccc2 34a_100000185861_100011933945 [0,2,0,0,0,0|1,0,0]=3 8439 B19R2.4537 O[C@H](CNc1ccc(cc1Cl)F)c2ccccc2 34a_100000212003_100011933945 [0,2,0,0,0,0|1,0,0]=3 8440 B19R2.4537 O[C@H](CNc1ccc(cc1Cl)I)c2ccccc2 34a_100011218065_100011933945 [0,2,0,0,0,0|1,0,0]=3 8441 B19R2.4537 O[C@H](CNc1ccc(cc1F)Br)c2ccccc2 34a_100000210722_100011933945 [0,2,0,0,0,0|1,0,0]=3 8442 B19R2.4537 O[C@H](CNc1ccc(cc1F)Cl)c2ccccc2 34a_100000211020_100011933945 [0,2,0,0,0,0|1,0,0]=3 8443 B19R2.4537 O[C@H](CNc1ccc(cc1F)F)c2ccccc2 34a_100000210720_100011933945 [0,2,0,0,0,0|1,0,0]=3 8444 B19R2.4537 O[C@H](CNc1ccc(cc1F)I)c2ccccc2 34a_100011215594_100011933945 [0,2,0,0,0,0|1,0,0]=3 8445 B19R2.4537 O[C@H](CNc1ccc(cc1I)Br)c2ccccc2 34a_100000187925_100011933945 [0,2,0,0,0,0|1,0,0]=3 8446 B19R2.4537 O[C@H](CNc1ccc(cc1I)Cl)c2ccccc2 34a_100000761889_100011933945 [0,2,0,0,0,0|1,0,0]=3 8447 B19R2.4537 O[C@H](CNc1ccc(cc1I)F)c2ccccc2 34a_100000760547_100011933945 [0,2,0,0,0,0|1,0,0]=3 8448 B19R2.4537 O[C@H](COc1ccc(cc1Br)Br)c2ccccc2 34a_100000188717_100011933945 [0,2,0,0,0,0|2,0,0]=4 8449 B19R2.4537 O[C@H](COc1ccc(cc1Br)Br)c2ccccc2 7a_100000188717_100011933945 [0,2,0,0,0,0|2,0,0]=4 8450 B19R2.4537 O[C@H](COc1ccc(cc1Br)Cl)c2ccccc2 34a_100000211998_100011933945 [0,2,0,0,0,0|2,0,0]=4 8451 B19R2.4537 O[C@H](COc1ccc(cc1Br)Cl)c2ccccc2 7a_100000211998_100011933945 [0,2,0,0,0,0|2,0,0]=4 8452 B19R2.4537 O[C@H](COc1ccc(cc1Br)F)c2ccccc2 34a_100000211999_100011933945 [0,2,0,0,0,0|2,0,0]=4 8453 B19R2.4537 O[C@H](COc1ccc(cc1Br)F)c2ccccc2 7a_100000211999_100011933945 [0,2,0,0,0,0|2,0,0]=4 8454 B19R2.4537 O[C@H](COc1ccc(cc1Br)I)c2ccccc2 34a_100012361655_100011933945 [0,2,0,0,0,0|2,0,0]=4 8455 B19R2.4537 O[C@H](COc1ccc(cc1Br)I)c2ccccc2 7a_100012361655_100011933945 [0,2,0,0,0,0|2,0,0]=4 8456 B19R2.4537 O[C@H](COc1ccc(cc1Cl)Br)c2ccccc2 34a_100000186472_100011933945 [0,2,0,0,0,0|2,0,0]=4 8457 B19R2.4537 O[C@H](COc1ccc(cc1Cl)Br)c2ccccc2 7a_100000186472_100011933945 [0,2,0,0,0,0|2,0,0]=4 8458 B19R2.4537 O[C@H](COc1ccc(cc1Cl)Cl)c2ccccc2 34a_100015191787_100011933945 [0,2,0,0,0,0|2,0,0]=4 8459 B19R2.4537 O[C@H](COc1ccc(cc1Cl)Cl)c2ccccc2 7a_100015191787_100011933945 [0,2,0,0,0,0|2,0,0]=4 8460 B19R2.4537 O[C@H](COc1ccc(cc1Cl)F)c2ccccc2 34a_100000212004_100011933945 [0,2,0,0,0,0|2,0,0]=4 8461 B19R2.4537 O[C@H](COc1ccc(cc1Cl)F)c2ccccc2 7a_100000212004_100011933945 [0,2,0,0,0,0|2,0,0]=4 8462 B19R2.4537 O[C@H](COc1ccc(cc1Cl)I)c2ccccc2 34a_100012360047_100011933945 [0,2,0,0,0,0|2,0,0]=4 8463 B19R2.4537 O[C@H](COc1ccc(cc1Cl)I)c2ccccc2 7a_100012360047_100011933945 [0,2,0,0,0,0|2,0,0]=4 8464 B19R2.4537 O[C@H](COc1ccc(cc1F)Br)c2ccccc2 34a_100000185481_100011933945 [0,2,0,0,0,0|2,0,0]=4 8465 B19R2.4537 O[C@H](COc1ccc(cc1F)Br)c2ccccc2 7a_100000185481_100011933945 [0,2,0,0,0,0|2,0,0]=4 8466 B19R2.4537 O[C@H](COc1ccc(cc1F)Cl)c2ccccc2 34a_100000230166_100011933945 [0,2,0,0,0,0|2,0,0]=4 8467 B19R2.4537 O[C@H](COc1ccc(cc1F)Cl)c2ccccc2 7a_100000230166_100011933945 [0,2,0,0,0,0|2,0,0]=4 8468 B19R2.4537 O[C@H](COc1ccc(cc1F)F)c2ccccc2 34a_100000230127_100011933945 [0,2,0,0,0,0|2,0,0]=4 8469 B19R2.4537 O[C@H](COc1ccc(cc1F)F)c2ccccc2 7a_100000230127_100011933945 [0,2,0,0,0,0|2,0,0]=4 8470 B19R2.4537 O[C@H](COc1ccc(cc1F)I)c2ccccc2 34a_100011356965_100011933945 [0,2,0,0,0,0|2,0,0]=4 8471 B19R2.4537 O[C@H](COc1ccc(cc1F)I)c2ccccc2 7a_100011356965_100011933945 [0,2,0,0,0,0|2,0,0]=4 8472 B19R2.4537 O[C@H](COc1ccc(cc1I)Br)c2ccccc2 34a_100012355227_100011933945 [0,2,0,0,0,0|2,0,0]=4 8473 B19R2.4537 O[C@H](COc1ccc(cc1I)Br)c2ccccc2 7a_100012355227_100011933945 [0,2,0,0,0,0|2,0,0]=4 8474 B19R2.4537 O[C@H](COc1ccc(cc1I)Cl)c2ccccc2 34a_100011356953_100011933945 [0,2,0,0,0,0|2,0,0]=4 8475 B19R2.4537 O[C@H](COc1ccc(cc1I)Cl)c2ccccc2 7a_100011356953_100011933945 [0,2,0,0,0,0|2,0,0]=4 8476 B19R2.4537 O[C@H](COc1ccc(cc1I)F)c2ccccc2 34a_100012355409_100011933945 [0,2,0,0,0,0|2,0,0]=4 8477 B19R2.4537 O[C@H](COc1ccc(cc1I)F)c2ccccc2 7a_100012355409_100011933945 [0,2,0,0,0,0|2,0,0]=4 8478 B19R2.4537 O[C@H](COc1ccc(cc1I)I)c2ccccc2 7a_100010001573_100011933945 [0,2,0,0,0,0|2,0,0]=4 8479 B19R2.4537 O[C@H](COc1ncc(cc1Br)Br)c2ccccc2 34a_100000701035_100011933945 [0,2,0,0,0,0|1,0,0]=3 8480 B19R2.4537 O[C@H](COc1ncc(cc1Cl)Br)c2ccccc2 34a_100012339560_100011933945 [0,2,0,0,0,0|1,0,0]=3 8481 B19R2.4537 O[C@H](COc1ncc(cc1Cl)F)c2ccccc2 34a_100009847679_100011933945 [0,2,0,0,0,0|1,0,0]=3 8482 B19R2.4537 O[C@H](COc1ncc(cc1F)Cl)c2ccccc2 34a_100011998252_100011933945 [0,2,0,0,0,0|1,0,0]=3 8483 B19R2.4537 O[C@H](COc1ncc(cc1F)F)c2ccccc2 34a_100012025737_100011933945 [0,2,0,0,0,0|1,0,0]=3 8484 B19R2.4537 O[C@H](COc1ncc(nc1Cl)Br)c2ccccc2 34a_100010734560_100011933945 [0,2,0,0,0,0|2,0,0]=4 8485 B19R2.4537 O[C@H](CSc1ccc(cc1Br)Cl)c2ccccc2 62a_100011219703_100011933945 [0,2,0,0,0,0|2,0,0]=4 8486 B19R2.4537 O[C@H](CSc1ccc(cc1Br)Cl)c2ccccc2 62a_100011933945_100011219703 [0,2,0,0,0,0|2,0,0]=4 8487 B19R2.4537 O[C@H](CSc1ccc(cc1Br)F)c2ccccc2 62a_100011217111_100011933945 [0,2,0,0,0,0|2,0,0]=4 8488 B19R2.4537 O[C@H](CSc1ccc(cc1Br)F)c2ccccc2 62a_100011933945_100011217111 [0,2,0,0,0,0|2,0,0]=4 8489 B19R2.4537 O[C@H](CSc1ccc(cc1Cl)Br)c2ccccc2 62a_100011216062_100011933945 [0,2,0,0,0,0|2,0,0]=4 8490 B19R2.4537 O[C@H](CSc1ccc(cc1Cl)Br)c2ccccc2 62a_100011933945_100011216062 [0,2,0,0,0,0|2,0,0]=4 8491 B19R2.4537 O[C@H](CSc1ccc(cc1Cl)Cl)c2ccccc2 62a_100000699841_100011933945 [0,2,0,0,0,0|2,0,0]=4 8492 B19R2.4537 O[C@H](CSc1ccc(cc1Cl)Cl)c2ccccc2 62a_100011933945_100000699841 [0,2,0,0,0,0|2,0,0]=4 8493 B19R2.4537 O[C@H](CSc1ccc(cc1Cl)F)c2ccccc2 62a_100000733362_100011933945 [0,2,0,0,0,0|2,0,0]=4 8494 B19R2.4537 O[C@H](CSc1ccc(cc1Cl)F)c2ccccc2 62a_100011933945_100000733362 [0,2,0,0,0,0|2,0,0]=4 8495 B19R2.4537 O[C@H](CSc1ccc(cc1F)Br)c2ccccc2 62a_100009814013_100011933945 [0,2,0,0,0,0|2,0,0]=4 8496 B19R2.4537 O[C@H](CSc1ccc(cc1F)Br)c2ccccc2 62a_100011933945_100009814013 [0,2,0,0,0,0|2,0,0]=4 8497 B19R2.4537 O[C@H](CSc1ccc(cc1F)Cl)c2ccccc2 62a_100011216042_100011933945 [0,2,0,0,0,0|2,0,0]=4 8498 B19R2.4537 O[C@H](CSc1ccc(cc1F)Cl)c2ccccc2 62a_100011933945_100011216042 [0,2,0,0,0,0|2,0,0]=4 8499 B19R2.4537 O[C@H](CSc1ccc(cc1F)F)c2ccccc2 62a_100000750030_100011933945 [0,2,0,0,0,0|2,0,0]=4 8500 B19R2.4537 O[C@H](CSc1ccc(cc1F)F)c2ccccc2 62a_100011933945_100000750030 [0,2,0,0,0,0|2,0,0]=4 8501 B19R2.4537 O[C@H](CSc1ncc(cc1Br)Cl)c2ccccc2 62a_100011933945_100012154958 [0,2,0,0,0,0|1,0,0]=3 8502 B19R2.4537 O[C@H](CSc1ncc(cc1Br)Cl)c2ccccc2 62a_100012154958_100011933945 [0,2,0,0,0,0|1,0,0]=3 8503 B19R2.4537 O[C@H](CSc1ncc(cc1F)Br)c2ccccc2 62a_100011933945_100012348576 [0,2,0,0,0,0|1,0,0]=3 8504 B19R2.4537 O[C@H](CSc1ncc(cc1F)Br)c2ccccc2 62a_100012348576_100011933945 [0,2,0,0,0,0|1,0,0]=3 8505 B19R2.4537 O[C@H](CSc1ncc(cc1F)Cl)c2ccccc2 62a_100011933945_100012348686 [0,2,0,0,0,0|1,0,0]=3 8506 B19R2.4537 O[C@H](CSc1ncc(cc1F)Cl)c2ccccc2 62a_100012348686_100011933945 [0,2,0,0,0,0|1,0,0]=3 8507 B19R2.4537 O[C@H](CSc1ncc(cc1F)F)c2ccccc2 62a_100011219543_100011933945 [0,2,0,0,0,0|1,0,0]=3 8508 B19R2.4537 O[C@H](CSc1ncc(cc1F)F)c2ccccc2 62a_100011933945_100011219543 [0,2,0,0,0,0|1,0,0]=3 8509 B19R2.4537 O[C@H](CSc1ncc(nc1Br)Br)c2ccccc2 62a_100010235571_100011933945 [0,2,0,0,0,0|2,0,0]=4 8510 B19R2.4537 O[C@H](CSc1ncc(nc1Br)Br)c2ccccc2 62a_100011933945_100010235571 [0,2,0,0,0,0|2,0,0]=4 8511 B19R2.4537 O[C@H](CSc1ncc(nc1Cl)Cl)c2ccccc2 62a_100011933945_100010173851 [0,2,0,0,0,0|2,0,0]=4 8512 B19R2.4537 Oc1cc(ccc1NCC(O)c2ccccc2)Br 34a_100000739049_100000185958 [0,2,0,0,0,0|1,0,0]=3 8513 B19R2.4537 Oc1cc(ccc1NCC(O)c2ccccc2)Cl 34a_100000185728_100000185958 [0,2,0,0,0,0|1,0,0]=3 8514 B19R2.4537 Oc1cc(ccc1NCC(O)c2ccccc2)F 34a_100000753323_100000185958 [0,2,0,0,0,0|1,0,0]=3 8515 B19R2.4537 Oc1cc(ccc1NC[C@@H](O)c2ccccc2)Br 34a_100000739049_100011933945 [0,2,0,0,0,0|1,0,0]=3 8516 B19R2.4537 Oc1cc(ccc1NC[C@@H](O)c2ccccc2)Cl 34a_100000185728_100011933945 [0,2,0,0,0,0|1,0,0]=3 8517 B19R2.4537 Oc1cc(ccc1NC[C@@H](O)c2ccccc2)F 34a_100000753323_100011933945 [0,2,0,0,0,0|1,0,0]=3 8518 B19R2.4537 Oc1cc(ccc1SCC(O)c2ccccc2)Br 62a_100000185958_100012344904 [0,2,0,0,0,0|2,0,0]=4 8519 B19R2.4537 Oc1cc(ccc1SCC(O)c2ccccc2)Br 62a_100012344904_100000185958 [0,2,0,0,0,0|2,0,0]=4 8520 B19R2.4537 Oc1cc(ccc1SCC(O)c2ccccc2)Cl 62a_100000050036_100000185958 [0,2,0,0,0,0|2,0,0]=4 8521 B19R2.4537 Oc1cc(ccc1SCC(O)c2ccccc2)Cl 62a_100000185958_100000050036 [0,2,0,0,0,0|2,0,0]=4 8522 B19R2.4537 Oc1cc(ccc1SCC(O)c2ccccc2)F 62a_100000185958_100000690578 [0,2,0,0,0,0|2,0,0]=4 8523 B19R2.4537 Oc1cc(ccc1SCC(O)c2ccccc2)F 62a_100000690578_100000185958 [0,2,0,0,0,0|2,0,0]=4 8524 B19R2.4537 Oc1cc(ccc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100012344904 [0,2,0,0,0,0|2,0,0]=4 8525 B19R2.4537 Oc1cc(ccc1SC[C@@H](O)c2ccccc2)Br 62a_100012344904_100011933945 [0,2,0,0,0,0|2,0,0]=4 8526 B19R2.4537 Oc1cc(ccc1SC[C@@H](O)c2ccccc2)Cl 62a_100000050036_100011933945 [0,2,0,0,0,0|2,0,0]=4 8527 B19R2.4537 Oc1cc(ccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000050036 [0,2,0,0,0,0|2,0,0]=4 8528 B19R2.4537 Oc1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100000690578_100011933945 [0,2,0,0,0,0|2,0,0]=4 8529 B19R2.4537 Oc1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000690578 [0,2,0,0,0,0|2,0,0]=4 8530 B19R2.4537 Oc1cc(cnc1SCC(O)c2ccccc2)Br 62a_100000185958_100010210634 [0,2,0,0,0,0|1,0,0]=3 8531 B19R2.4537 Oc1cc(cnc1SCC(O)c2ccccc2)Br 62a_100010210634_100000185958 [0,2,0,0,0,0|1,0,0]=3 8532 B19R2.4537 Oc1cc(cnc1SCC(O)c2ccccc2)Cl 62a_100000185958_100010233512 [0,2,0,0,0,0|1,0,0]=3 8533 B19R2.4537 Oc1cc(cnc1SCC(O)c2ccccc2)Cl 62a_100010233512_100000185958 [0,2,0,0,0,0|1,0,0]=3 8534 B19R2.4537 Oc1cc(cnc1SCC(O)c2ccccc2)F 62a_100000185958_100000079967 [0,2,0,0,0,0|1,0,0]=3 8535 B19R2.4537 Oc1cc(cnc1SCC(O)c2ccccc2)F 62a_100009820119_100000185958 [0,2,0,0,0,0|1,0,0]=3 8536 B19R2.4537 Oc1cc(cnc1SC[C@@H](O)c2ccccc2)Br 62a_100010210634_100011933945 [0,2,0,0,0,0|1,0,0]=3 8537 B19R2.4537 Oc1cc(cnc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010210634 [0,2,0,0,0,0|1,0,0]=3 8538 B19R2.4537 Oc1cc(cnc1SC[C@@H](O)c2ccccc2)Cl 62a_100010233512_100011933945 [0,2,0,0,0,0|1,0,0]=3 8539 B19R2.4537 Oc1cc(cnc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010233512 [0,2,0,0,0,0|1,0,0]=3 8540 B19R2.4537 Oc1cc(cnc1SC[C@@H](O)c2ccccc2)F 62a_100009820119_100011933945 [0,2,0,0,0,0|1,0,0]=3 8541 B19R2.4537 Oc1cc(cnc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000079967 [0,2,0,0,0,0|1,0,0]=3 8542 B19R2.4537 Oc1ccc(c(c1)Br)NCC(O)c2ccccc2 34a_100012001276_100000185958 [0,2,0,0,0,0|1,0,0]=3 8543 B19R2.4537 Oc1ccc(c(c1)Br)NC[C@@H](O)c2ccccc2 34a_100012001276_100011933945 [0,2,0,0,0,0|1,0,0]=3 8544 B19R2.4537 Oc1ccc(c(c1)Br)SCC(O)c2ccccc2 62a_100000185958_100000701344 [0,2,0,0,0,0|2,0,0]=4 8545 B19R2.4537 Oc1ccc(c(c1)Br)SCC(O)c2ccccc2 62a_100000701344_100000185958 [0,2,0,0,0,0|2,0,0]=4 8546 B19R2.4537 Oc1ccc(c(c1)Br)SC[C@@H](O)c2ccccc2 62a_100000701344_100011933945 [0,2,0,0,0,0|2,0,0]=4 8547 B19R2.4537 Oc1ccc(c(c1)Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100000701344 [0,2,0,0,0,0|2,0,0]=4 8548 B19R2.4537 Oc1ccc(c(c1)Cl)NCC(O)c2ccccc2 34a_100011215599_100000185958 [0,2,0,0,0,0|1,0,0]=3 8549 B19R2.4537 Oc1ccc(c(c1)Cl)NC[C@@H](O)c2ccccc2 34a_100011215599_100011933945 [0,2,0,0,0,0|1,0,0]=3 8550 B19R2.4537 Oc1ccc(c(c1)Cl)SCC(O)c2ccccc2 62a_100000047559_100000185958 [0,2,0,0,0,0|2,0,0]=4 8551 B19R2.4537 Oc1ccc(c(c1)Cl)SCC(O)c2ccccc2 62a_100000185958_100000047559 [0,2,0,0,0,0|2,0,0]=4 8552 B19R2.4537 Oc1ccc(c(c1)Cl)SC[C@@H](O)c2ccccc2 62a_100000047559_100011933945 [0,2,0,0,0,0|2,0,0]=4 8553 B19R2.4537 Oc1ccc(c(c1)Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100000047559 [0,2,0,0,0,0|2,0,0]=4 8554 B19R2.4537 Oc1ccc(c(c1)F)NCC(O)c2ccccc2 34a_100000759473_100000185958 [0,2,0,0,0,0|1,0,0]=3 8555 B19R2.4537 Oc1ccc(c(c1)F)NC[C@@H](O)c2ccccc2 34a_100000759473_100011933945 [0,2,0,0,0,0|1,0,0]=3 8556 B19R2.4537 Oc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100000755031 [0,2,0,0,0,0|2,0,0]=4 8557 B19R2.4537 Oc1ccc(c(c1)F)SCC(O)c2ccccc2 62a_100000755031_100000185958 [0,2,0,0,0,0|2,0,0]=4 8558 B19R2.4537 Oc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100000755031_100011933945 [0,2,0,0,0,0|2,0,0]=4 8559 B19R2.4537 Oc1ccc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000755031 [0,2,0,0,0,0|2,0,0]=4 8560 B19R2.4537 Oc1ccc(c(c1)I)NCC(O)c2ccccc2 34a_100010084370_100000185958 [0,2,0,0,0,0|1,0,0]=3 8561 B19R2.4537 Oc1ccc(c(c1)I)NC[C@@H](O)c2ccccc2 34a_100010084370_100011933945 [0,2,0,0,0,0|1,0,0]=3 8562 B19R2.4537 Oc1ccc(c(c1)O)NCC(O)c2ccccc2 34a_100000106777_100000185958 [0,2,0,0,0,0|1,0,0]=3 8563 B19R2.4537 Oc1ccc(c(c1)O)NC[C@@H](O)c2ccccc2 34a_100000106777_100011933945 [0,2,0,0,0,0|1,0,0]=3 8564 B19R2.4537 Oc1ccc(c(c1)O)SCC(O)c2ccccc2 62a_100000185958_100009813921 [0,2,0,0,0,0|2,0,0]=4 8565 B19R2.4537 Oc1ccc(c(c1)O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009813921 [0,2,0,0,0,0|2,0,0]=4 8566 B19R2.4537 Oc1cnc(c(c1)F)SCC(O)c2ccccc2 62a_100000185958_100000063512 [0,2,0,0,0,0|1,0,0]=3 8567 B19R2.4537 Oc1cnc(c(c1)F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000063512 [0,2,0,0,0,0|1,0,0]=3 8568 B19R2.4537 [O-][n+]1cc(ccc1SCC(O)c2ccccc2)F 62a_100000185958_100009817261 [0,2,0,0,0,0|1,0,1]=4 8569 B19R2.4537 [O-][n+]1cc(ccc1SCC(O)c2ccccc2)F 62a_100009817261_100000185958 [0,2,0,0,0,0|1,0,1]=4 8570 B19R2.4537 [O-][n+]1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100009817261_100011933945 [0,2,0,0,0,0|1,0,1]=4 8571 B19R2.4537 [O-][n+]1cc(ccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009817261 [0,2,0,0,0,0|1,0,1]=4 8572 B19R2.11834 CC(CNc1cc(=O)n(cn1)C)c2ccccc2 27a_100000701038_100012179353 [0,2,0,0,0,0|2,0,0]=4 8573 B19R2.11834 CC(CNc1ccc(c(c1)Br)F)c2ccccc2 2230a_100000760356_100000756946 [0,2,0,0,0,0|2,0,0]=4 8574 B19R2.11834 CC(CNc1ccc(c(c1)Br)F)c2ccccc2 34a_100000760356_100000756946 [0,2,0,0,0,0|2,0,0]=4 8575 B19R2.11834 CC(CNc1ccc(c(c1)Br)F)c2ccccc2 7a_100000760356_100000756946 [0,2,0,0,0,0|2,0,0]=4 8576 B19R2.11834 CC(CNc1ccc(c(c1)Br)O)c2ccccc2 34a_100011534360_100000756946 [0,2,0,0,0,0|2,0,0]=4 8577 B19R2.11834 CC(CNc1ccc(c(c1)Cl)F)c2ccccc2 2230a_100000211060_100000756946 [0,2,0,0,0,0|2,0,0]=4 8578 B19R2.11834 CC(CNc1ccc(c(c1)Cl)F)c2ccccc2 34a_100000211060_100000756946 [0,2,0,0,0,0|2,0,0]=4 8579 B19R2.11834 CC(CNc1ccc(c(c1)Cl)F)c2ccccc2 7a_100000211060_100000756946 [0,2,0,0,0,0|2,0,0]=4 8580 B19R2.11834 CC(CNc1ccc(c(c1)Cl)O)c2ccccc2 34a_100000744943_100000756946 [0,2,0,0,0,0|2,0,0]=4 8581 B19R2.11834 CC(CNc1ccc(c(c1)F)Br)c2ccccc2 2230a_100000759894_100000756946 [0,2,0,0,0,0|2,0,0]=4 8582 B19R2.11834 CC(CNc1ccc(c(c1)F)Br)c2ccccc2 34a_100000759894_100000756946 [0,2,0,0,0,0|2,0,0]=4 8583 B19R2.11834 CC(CNc1ccc(c(c1)F)Br)c2ccccc2 7a_100000759894_100000756946 [0,2,0,0,0,0|2,0,0]=4 8584 B19R2.11834 CC(CNc1ccc(c(c1)F)Cl)c2ccccc2 2230a_100000739366_100000756946 [0,2,0,0,0,0|2,0,0]=4 8585 B19R2.11834 CC(CNc1ccc(c(c1)F)Cl)c2ccccc2 34a_100000739366_100000756946 [0,2,0,0,0,0|2,0,0]=4 8586 B19R2.11834 CC(CNc1ccc(c(c1)F)Cl)c2ccccc2 7a_100000739366_100000756946 [0,2,0,0,0,0|2,0,0]=4 8587 B19R2.11834 CC(CNc1ccc(c(c1)F)F)c2ccccc2 2230a_100000210724_100000756946 [0,2,0,0,0,0|2,0,0]=4 8588 B19R2.11834 CC(CNc1ccc(c(c1)F)F)c2ccccc2 34a_100000210724_100000756946 [0,2,0,0,0,0|2,0,0]=4 8589 B19R2.11834 CC(CNc1ccc(c(c1)F)F)c2ccccc2 7a_100000210724_100000756946 [0,2,0,0,0,0|2,0,0]=4 8590 B19R2.11834 CC(CNc1ccc(c(c1)F)I)c2ccccc2 34a_100011356925_100000756946 [0,2,0,0,0,0|2,0,0]=4 8591 B19R2.11834 CC(CNc1ccc(c(c1)F)I)c2ccccc2 7a_100011356925_100000756946 [0,2,0,0,0,0|2,0,0]=4 8592 B19R2.11834 CC(CNc1ccc(c(c1)F)O)c2ccccc2 34a_100011220035_100000756946 [0,2,0,0,0,0|2,0,0]=4 8593 B19R2.11834 CC(CNc1ccc(c(c1)F)O)c2ccccc2 7a_100011220035_100000756946 [0,2,0,0,0,0|2,0,0]=4 8594 B19R2.11834 CC(CNc1ccc(c(c1)I)F)c2ccccc2 34a_114828291077_100000756946 [0,2,0,0,0,0|2,0,0]=4 8595 B19R2.11834 CC(CNc1ccc(c(c1)I)F)c2ccccc2 7a_114828291077_100000756946 [0,2,0,0,0,0|2,0,0]=4 8596 B19R2.11834 CC(CNc1ccc(c(c1)O)Cl)c2ccccc2 34a_100011934209_100000756946 [0,2,0,0,0,0|2,0,0]=4 8597 B19R2.11834 CC(CNc1ccc(c(c1)O)F)c2ccccc2 34a_100012017398_100000756946 [0,2,0,0,0,0|2,0,0]=4 8598 B19R2.11834 CC(CNc1ccc(c(c1)O)F)c2ccccc2 7a_100012017398_100000756946 [0,2,0,0,0,0|2,0,0]=4 8599 B19R2.11834 CC(CNc1ccc(c(c1)O)O)c2ccccc2 34a_100102946323_100000756946 [0,2,0,0,0,0|2,0,0]=4 8600 B19R2.11834 CC(CNc1ccc(c(n1)F)Br)c2ccccc2 27a_100000701038_100010134343 [0,2,0,0,0,0|1,0,0]=3 8601 B19R2.11834 CC(CNc1ncc(c(n1)N)F)c2ccccc2 27a_100000701038_100000185498 [0,2,0,0,0,0|2,0,0]=4 8602 B19R2.11834 CC(CNc1ncc(c(n1)O)F)c2ccccc2 27a_100000701038_100011995740 [0,2,0,0,0,0|2,0,0]=4 8603 B19R2.11834 CC(COc1cc(c(cn1)Br)Cl)c2ccccc2 34a_100010369989_100000756946 [0,2,0,0,0,0|2,0,0]=4 8604 B19R2.11834 CC(COc1cc(c(cn1)Cl)Cl)c2ccccc2 34a_200000099200_100000756946 [0,2,0,0,0,0|2,0,0]=4 8605 B19R2.11834 CC(COc1ccc(c(n1)F)Br)c2ccccc2 34a_100009879308_100000756946 [0,2,0,0,0,0|2,0,0]=4 8606 B19R2.11834 CC(CSc1cc(c(cn1)F)N)c2ccccc2 62a_100000126464_100000756946 [0,2,0,0,0,0|2,0,0]=4 8607 B19R2.11834 CC(CSc1cc(c(cn1)F)N)c2ccccc2 62a_100000756946_100000126464 [0,2,0,0,0,0|2,0,0]=4 8608 B19R2.11834 CC(CSc1cc(c(cn1)F)O)c2ccccc2 62a_100000756946_100009854642 [0,2,0,0,0,0|2,0,0]=4 8609 B19R2.11834 CC(CSc1cc(c(cn1)F)O)c2ccccc2 62a_100009854642_100000756946 [0,2,0,0,0,0|2,0,0]=4 8610 B19R2.11834 CC(CSc1cc(c(cn1)N)N)c2ccccc2 62a_100000067514_100000756946 [0,2,0,0,0,0|2,0,0]=4 8611 B19R2.11834 CC(CSc1cc(c(cn1)N)N)c2ccccc2 62a_100000756946_100000067514 [0,2,0,0,0,0|2,0,0]=4 8612 B19R2.11834 CC(CSc1cc(c(cn1)O)N)c2ccccc2 62a_100000756946_100009819941 [0,2,0,0,0,0|2,0,0]=4 8613 B19R2.11834 CC(CSc1cc(c(cn1)O)N)c2ccccc2 62a_100009819941_100000756946 [0,2,0,0,0,0|2,0,0]=4 8614 B19R2.11834 CC(CSc1ccc(c(n1)Br)O)c2ccccc2 62a_100000725334_100000756946 [0,2,0,0,0,0|2,0,0]=4 8615 B19R2.11834 CC(CSc1ccc(c(n1)Br)O)c2ccccc2 62a_100000756946_100000725334 [0,2,0,0,0,0|2,0,0]=4 8616 B19R2.11834 CC(CSc1ccc(c(n1)Cl)N)c2ccccc2 62a_100000756946_200010233646 [0,2,0,0,0,0|2,0,0]=4 8617 B19R2.11834 CC(CSc1ccc(c(n1)Cl)N)c2ccccc2 62a_200010233646_100000756946 [0,2,0,0,0,0|2,0,0]=4 8618 B19R2.11834 CC(CSc1ccc(c(n1)Cl)O)c2ccccc2 62a_100000756946_100000721234 [0,2,0,0,0,0|2,0,0]=4 8619 B19R2.11834 CC(CSc1ccc(c(n1)F)Br)c2ccccc2 62a_100000756946_100010134343 [0,2,0,0,0,0|2,0,0]=4 8620 B19R2.11834 CC(CSc1ccc(c(n1)F)Br)c2ccccc2 62a_100010134343_100000756946 [0,2,0,0,0,0|2,0,0]=4 8621 B19R2.11834 CC(CSc1ccc(c(n1)F)N)c2ccccc2 62a_100000756946_100009856439 [0,2,0,0,0,0|2,0,0]=4 8622 B19R2.11834 CC(CSc1ccc(c(n1)F)N)c2ccccc2 62a_100009856439_100000756946 [0,2,0,0,0,0|2,0,0]=4 8623 B19R2.11834 CC(CSc1ccc(c(n1)F)O)c2ccccc2 62a_100000756946_100009819667 [0,2,0,0,0,0|2,0,0]=4 8624 B19R2.11834 CC(CSc1ccc(c(n1)F)O)c2ccccc2 62a_100009819667_100000756946 [0,2,0,0,0,0|2,0,0]=4 8625 B19R2.11834 CC(CSc1ccc(c(n1)N)F)c2ccccc2 62a_100000756946_100016091773 [0,2,0,0,0,0|2,0,0]=4 8626 B19R2.11834 CC(CSc1ccc(c(n1)N)F)c2ccccc2 62a_100016091773_100000756946 [0,2,0,0,0,0|2,0,0]=4 8627 B19R2.11834 CC(CSc1ccc(c(n1)N)N)c2ccccc2 62a_100000747239_100000756946 [0,2,0,0,0,0|2,0,0]=4 8628 B19R2.11834 CC(CSc1ccc(c(n1)N)O)c2ccccc2 62a_100000685527_100000756946 [0,2,0,0,0,0|2,0,0]=4 8629 B19R2.11834 CC(CSc1ccc(c(n1)N)O)c2ccccc2 62a_100000756946_100000685527 [0,2,0,0,0,0|2,0,0]=4 8630 B19R2.11834 CC(CSc1ccc(c(n1)O)F)c2ccccc2 62a_100000756946_100010729010 [0,2,0,0,0,0|2,0,0]=4 8631 B19R2.11834 CC(CSc1ccc(c(n1)O)N)c2ccccc2 62a_100000718904_100000756946 [0,2,0,0,0,0|2,0,0]=4 8632 B19R2.11834 Cc1cc(ccc1Br)NCC(C)c2ccccc2 2230a_100000210723_100000756946 [0,2,0,0,0,0|2,0,0]=4 8633 B19R2.11834 Cc1cc(ccc1Br)NCC(C)c2ccccc2 34a_100000210723_100000756946 [0,2,0,0,0,0|2,0,0]=4 8634 B19R2.11834 Cc1cc(ccc1Br)NCC(C)c2ccccc2 7a_100000210723_100000756946 [0,2,0,0,0,0|2,0,0]=4 8635 B19R2.11834 Cc1cc(ccc1Br)NCC(O)c2ccccc2 2230a_100000210723_100000185958 [0,2,0,0,0,0|1,0,0]=3 8636 B19R2.11834 Cc1cc(ccc1Br)NCC(O)c2ccccc2 34a_100000210723_100000185958 [0,2,0,0,0,0|1,0,0]=3 8637 B19R2.11834 Cc1cc(ccc1Br)NCC(O)c2ccccc2 7a_100000210723_100000185958 [0,2,0,0,0,0|1,0,0]=3 8638 B19R2.11834 Cc1cc(ccc1Br)NC[C@@H](O)c2ccccc2 2230a_100000210723_100011933945 [0,2,0,0,0,0|1,0,0]=3 8639 B19R2.11834 Cc1cc(ccc1Br)NC[C@@H](O)c2ccccc2 34a_100000210723_100011933945 [0,2,0,0,0,0|1,0,0]=3 8640 B19R2.11834 Cc1cc(ccc1Br)NC[C@@H](O)c2ccccc2 7a_100000210723_100011933945 [0,2,0,0,0,0|1,0,0]=3 8641 B19R2.11834 Cc1cc(ccc1Br)OCC(O)c2ccccc2 34a_100000690111_100000185958 [0,2,0,0,0,0|2,0,0]=4 8642 B19R2.11834 Cc1cc(ccc1Br)OCC(O)c2ccccc2 7a_100000690111_100000185958 [0,2,0,0,0,0|2,0,0]=4 8643 B19R2.11834 Cc1cc(ccc1Br)OC[C@@H](O)c2ccccc2 34a_100000690111_100011933945 [0,2,0,0,0,0|2,0,0]=4 8644 B19R2.11834 Cc1cc(ccc1Br)OC[C@@H](O)c2ccccc2 7a_100000690111_100011933945 [0,2,0,0,0,0|2,0,0]=4 8645 B19R2.11834 Cc1cc(ccc1Br)SCC(O)c2ccccc2 62a_100000185958_100009813585 [0,2,0,0,0,0|2,0,0]=4 8646 B19R2.11834 Cc1cc(ccc1Br)SCC(O)c2ccccc2 62a_100009813585_100000185958 [0,2,0,0,0,0|2,0,0]=4 8647 B19R2.11834 Cc1cc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100009813585_100011933945 [0,2,0,0,0,0|2,0,0]=4 8648 B19R2.11834 Cc1cc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100009813585 [0,2,0,0,0,0|2,0,0]=4 8649 B19R2.11834 Cc1cc(ccc1Cl)NCC(C)c2ccccc2 2230a_100000187808_100000756946 [0,2,0,0,0,0|2,0,0]=4 8650 B19R2.11834 Cc1cc(ccc1Cl)NCC(C)c2ccccc2 34a_100000187808_100000756946 [0,2,0,0,0,0|2,0,0]=4 8651 B19R2.11834 Cc1cc(ccc1Cl)NCC(C)c2ccccc2 7a_100000187808_100000756946 [0,2,0,0,0,0|2,0,0]=4 8652 B19R2.11834 Cc1cc(ccc1Cl)NCC(O)c2ccccc2 2230a_100000187808_100000185958 [0,2,0,0,0,0|1,0,0]=3 8653 B19R2.11834 Cc1cc(ccc1Cl)NCC(O)c2ccccc2 34a_100000187808_100000185958 [0,2,0,0,0,0|1,0,0]=3 8654 B19R2.11834 Cc1cc(ccc1Cl)NCC(O)c2ccccc2 7a_100000187808_100000185958 [0,2,0,0,0,0|1,0,0]=3 8655 B19R2.11834 Cc1cc(ccc1Cl)NC[C@@H](O)c2ccccc2 2230a_100000187808_100011933945 [0,2,0,0,0,0|1,0,0]=3 8656 B19R2.11834 Cc1cc(ccc1Cl)NC[C@@H](O)c2ccccc2 34a_100000187808_100011933945 [0,2,0,0,0,0|1,0,0]=3 8657 B19R2.11834 Cc1cc(ccc1Cl)NC[C@@H](O)c2ccccc2 7a_100000187808_100011933945 [0,2,0,0,0,0|1,0,0]=3 8658 B19R2.11834 Cc1cc(ccc1Cl)OCC(O)c2ccccc2 34a_100000211092_100000185958 [0,2,0,0,0,0|2,0,0]=4 8659 B19R2.11834 Cc1cc(ccc1Cl)OCC(O)c2ccccc2 7a_100000211092_100000185958 [0,2,0,0,0,0|2,0,0]=4 8660 B19R2.11834 Cc1cc(ccc1Cl)OC[C@@H](O)c2ccccc2 34a_100000211092_100011933945 [0,2,0,0,0,0|2,0,0]=4 8661 B19R2.11834 Cc1cc(ccc1Cl)OC[C@@H](O)c2ccccc2 7a_100000211092_100011933945 [0,2,0,0,0,0|2,0,0]=4 8662 B19R2.11834 Cc1cc(ccc1Cl)SCC(O)c2ccccc2 62a_100000049509_100000185958 [0,2,0,0,0,0|2,0,0]=4 8663 B19R2.11834 Cc1cc(ccc1Cl)SCC(O)c2ccccc2 62a_100000185958_100000049509 [0,2,0,0,0,0|2,0,0]=4 8664 B19R2.11834 Cc1cc(ccc1Cl)SC[C@@H](O)c2ccccc2 62a_100000049509_100011933945 [0,2,0,0,0,0|2,0,0]=4 8665 B19R2.11834 Cc1cc(ccc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100000049509 [0,2,0,0,0,0|2,0,0]=4 8666 B19R2.11834 Cc1cc(ccc1F)NCC(C)c2ccccc2 2230a_100000750164_100000756946 [0,2,0,0,0,0|2,0,0]=4 8667 B19R2.11834 Cc1cc(ccc1F)NCC(C)c2ccccc2 34a_100000750164_100000756946 [0,2,0,0,0,0|2,0,0]=4 8668 B19R2.11834 Cc1cc(ccc1F)NCC(C)c2ccccc2 7a_100000750164_100000756946 [0,2,0,0,0,0|2,0,0]=4 8669 B19R2.11834 Cc1cc(ccc1F)NCC(O)c2ccccc2 2230a_100000750164_100000185958 [0,2,0,0,0,0|1,0,0]=3 8670 B19R2.11834 Cc1cc(ccc1F)NCC(O)c2ccccc2 34a_100000750164_100000185958 [0,2,0,0,0,0|1,0,0]=3 8671 B19R2.11834 Cc1cc(ccc1F)NCC(O)c2ccccc2 7a_100000750164_100000185958 [0,2,0,0,0,0|1,0,0]=3 8672 B19R2.11834 Cc1cc(ccc1F)NC[C@@H](O)c2ccccc2 2230a_100000750164_100011933945 [0,2,0,0,0,0|1,0,0]=3 8673 B19R2.11834 Cc1cc(ccc1F)NC[C@@H](O)c2ccccc2 34a_100000750164_100011933945 [0,2,0,0,0,0|1,0,0]=3 8674 B19R2.11834 Cc1cc(ccc1F)NC[C@@H](O)c2ccccc2 7a_100000750164_100011933945 [0,2,0,0,0,0|1,0,0]=3 8675 B19R2.11834 Cc1cc(ccc1F)OCC(O)c2ccccc2 34a_100000751312_100000185958 [0,2,0,0,0,0|2,0,0]=4 8676 B19R2.11834 Cc1cc(ccc1F)OCC(O)c2ccccc2 7a_100000751312_100000185958 [0,2,0,0,0,0|2,0,0]=4 8677 B19R2.11834 Cc1cc(ccc1F)OC[C@@H](O)c2ccccc2 34a_100000751312_100011933945 [0,2,0,0,0,0|2,0,0]=4 8678 B19R2.11834 Cc1cc(ccc1F)OC[C@@H](O)c2ccccc2 7a_100000751312_100011933945 [0,2,0,0,0,0|2,0,0]=4 8679 B19R2.11834 Cc1cc(ccc1F)SCC(O)c2ccccc2 62a_100000185958_100011218330 [0,2,0,0,0,0|2,0,0]=4 8680 B19R2.11834 Cc1cc(ccc1F)SCC(O)c2ccccc2 62a_100011218330_100000185958 [0,2,0,0,0,0|2,0,0]=4 8681 B19R2.11834 Cc1cc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011218330_100011933945 [0,2,0,0,0,0|2,0,0]=4 8682 B19R2.11834 Cc1cc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011218330 [0,2,0,0,0,0|2,0,0]=4 8683 B19R2.11834 Cc1cc(ccc1I)NCC(C)c2ccccc2 34a_100000198070_100000756946 [0,2,0,0,0,0|2,0,0]=4 8684 B19R2.11834 Cc1cc(ccc1I)NCC(C)c2ccccc2 7a_100000198070_100000756946 [0,2,0,0,0,0|2,0,0]=4 8685 B19R2.11834 Cc1cc(ccc1I)NCC(O)c2ccccc2 34a_100000198070_100000185958 [0,2,0,0,0,0|1,0,0]=3 8686 B19R2.11834 Cc1cc(ccc1I)NCC(O)c2ccccc2 7a_100000198070_100000185958 [0,2,0,0,0,0|1,0,0]=3 8687 B19R2.11834 Cc1cc(ccc1I)NC[C@@H](O)c2ccccc2 34a_100000198070_100011933945 [0,2,0,0,0,0|1,0,0]=3 8688 B19R2.11834 Cc1cc(ccc1I)NC[C@@H](O)c2ccccc2 7a_100000198070_100011933945 [0,2,0,0,0,0|1,0,0]=3 8689 B19R2.11834 Cc1cc(ccc1I)OCC(O)c2ccccc2 34a_100000729255_100000185958 [0,2,0,0,0,0|2,0,0]=4 8690 B19R2.11834 Cc1cc(ccc1I)OCC(O)c2ccccc2 7a_100000729255_100000185958 [0,2,0,0,0,0|2,0,0]=4 8691 B19R2.11834 Cc1cc(ccc1I)OC[C@@H](O)c2ccccc2 34a_100000729255_100011933945 [0,2,0,0,0,0|2,0,0]=4 8692 B19R2.11834 Cc1cc(ccc1I)OC[C@@H](O)c2ccccc2 7a_100000729255_100011933945 [0,2,0,0,0,0|2,0,0]=4 8693 B19R2.11834 Cc1cc(ccc1N)OCC(O)c2ccccc2 34a_100000756630_100000185958 [0,2,0,0,0,0|2,0,0]=4 8694 B19R2.11834 Cc1cc(ccc1N)OCC(O)c2ccccc2 7a_100000756630_100000185958 [0,2,0,0,0,0|2,0,0]=4 8695 B19R2.11834 Cc1cc(ccc1N)OC[C@@H](O)c2ccccc2 34a_100000756630_100011933945 [0,2,0,0,0,0|2,0,0]=4 8696 B19R2.11834 Cc1cc(ccc1N)OC[C@@H](O)c2ccccc2 7a_100000756630_100011933945 [0,2,0,0,0,0|2,0,0]=4 8697 B19R2.11834 Cc1cc(ccc1N)SCC(O)c2ccccc2 62a_100000185958_100000211769 [0,2,0,0,0,0|2,0,0]=4 8698 B19R2.11834 Cc1cc(ccc1N)SCC(O)c2ccccc2 62a_100000211769_100000185958 [0,2,0,0,0,0|2,0,0]=4 8699 B19R2.11834 Cc1cc(ccc1N)SC[C@@H](O)c2ccccc2 62a_100000211769_100011933945 [0,2,0,0,0,0|2,0,0]=4 8700 B19R2.11834 Cc1cc(ccc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000211769 [0,2,0,0,0,0|2,0,0]=4 8701 B19R2.11834 Cc1cc(ccc1O)NCC(C)c2ccccc2 34a_100011218179_100000756946 [0,2,0,0,0,0|2,0,0]=4 8702 B19R2.11834 Cc1cc(ccc1O)NCC(C)c2ccccc2 7a_100011218179_100000756946 [0,2,0,0,0,0|2,0,0]=4 8703 B19R2.11834 Cc1cc(ccc1O)NCC(O)c2ccccc2 34a_100011218179_100000185958 [0,2,0,0,0,0|1,0,0]=3 8704 B19R2.11834 Cc1cc(ccc1O)NCC(O)c2ccccc2 7a_100011218179_100000185958 [0,2,0,0,0,0|1,0,0]=3 8705 B19R2.11834 Cc1cc(ccc1O)NC[C@@H](O)c2ccccc2 34a_100011218179_100011933945 [0,2,0,0,0,0|1,0,0]=3 8706 B19R2.11834 Cc1cc(ccc1O)NC[C@@H](O)c2ccccc2 7a_100011218179_100011933945 [0,2,0,0,0,0|1,0,0]=3 8707 B19R2.11834 Cc1cc(ccc1O)SCC(O)c2ccccc2 62a_100000185958_100000186361 [0,2,0,0,0,0|2,0,0]=4 8708 B19R2.11834 Cc1cc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000186361 [0,2,0,0,0,0|2,0,0]=4 8709 B19R2.11834 Cc1cc(n[nH]c1=O)SCC(O)c2ccccc2 62a_100000185958_100012187101 [0,2,0,0,0,0|2,0,0]=4 8710 B19R2.11834 Cc1cc(n[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100012187101 [0,2,0,0,0,0|2,0,0]=4 8711 B19R2.11834 Cc1cc(ncc1Br)OCC(C)c2ccccc2 34a_100000766222_100000756946 [0,2,0,0,0,0|2,0,0]=4 8712 B19R2.11834 Cc1cc(ncc1Br)OCC(O)c2ccccc2 34a_100000766222_100000185958 [0,2,0,0,0,0|1,0,0]=3 8713 B19R2.11834 Cc1cc(ncc1Br)OC[C@@H](O)c2ccccc2 34a_100000766222_100011933945 [0,2,0,0,0,0|1,0,0]=3 8714 B19R2.11834 Cc1cc(ncc1Br)SCC(O)c2ccccc2 62a_100000185958_100012356354 [0,2,0,0,0,0|1,0,0]=3 8715 B19R2.11834 Cc1cc(ncc1Br)SCC(O)c2ccccc2 62a_100012356354_100000185958 [0,2,0,0,0,0|1,0,0]=3 8716 B19R2.11834 Cc1cc(ncc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100012356354 [0,2,0,0,0,0|1,0,0]=3 8717 B19R2.11834 Cc1cc(ncc1Br)SC[C@@H](O)c2ccccc2 62a_100012356354_100011933945 [0,2,0,0,0,0|1,0,0]=3 8718 B19R2.11834 Cc1cc(ncc1Cl)OCC(C)c2ccccc2 34a_200000085746_100000756946 [0,2,0,0,0,0|2,0,0]=4 8719 B19R2.11834 Cc1cc(ncc1Cl)OCC(O)c2ccccc2 34a_200000085746_100000185958 [0,2,0,0,0,0|1,0,0]=3 8720 B19R2.11834 Cc1cc(ncc1Cl)OC[C@@H](O)c2ccccc2 34a_200000085746_100011933945 [0,2,0,0,0,0|1,0,0]=3 8721 B19R2.11834 Cc1cc(ncc1F)SCC(C)c2ccccc2 62a_100000756946_100009818257 [0,2,0,0,0,0|2,0,0]=4 8722 B19R2.11834 Cc1cc(ncc1F)SCC(C)c2ccccc2 62a_100009818257_100000756946 [0,2,0,0,0,0|2,0,0]=4 8723 B19R2.11834 Cc1cc(ncc1F)SCC(O)c2ccccc2 62a_100000185958_100009818257 [0,2,0,0,0,0|1,0,0]=3 8724 B19R2.11834 Cc1cc(ncc1F)SCC(O)c2ccccc2 62a_100009818257_100000185958 [0,2,0,0,0,0|1,0,0]=3 8725 B19R2.11834 Cc1cc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100009818257_100011933945 [0,2,0,0,0,0|1,0,0]=3 8726 B19R2.11834 Cc1cc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009818257 [0,2,0,0,0,0|1,0,0]=3 8727 B19R2.11834 Cc1cc(ncc1N)SCC(C)c2ccccc2 62a_100000067204_100000756946 [0,2,0,0,0,0|2,0,0]=4 8728 B19R2.11834 Cc1cc(ncc1N)SCC(C)c2ccccc2 62a_100000756946_100000067204 [0,2,0,0,0,0|2,0,0]=4 8729 B19R2.11834 Cc1cc(ncc1N)SCC(O)c2ccccc2 62a_100000067204_100000185958 [0,2,0,0,0,0|1,0,0]=3 8730 B19R2.11834 Cc1cc(ncc1N)SCC(O)c2ccccc2 62a_100000185958_100000067204 [0,2,0,0,0,0|1,0,0]=3 8731 B19R2.11834 Cc1cc(ncc1N)SC[C@@H](O)c2ccccc2 62a_100000067204_100011933945 [0,2,0,0,0,0|1,0,0]=3 8732 B19R2.11834 Cc1cc(ncc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000067204 [0,2,0,0,0,0|1,0,0]=3 8733 B19R2.11834 Cc1cc(ncc1O)SCC(C)c2ccccc2 62a_100000756946_100000692680 [0,2,0,0,0,0|2,0,0]=4 8734 B19R2.11834 Cc1cc(ncc1O)SCC(O)c2ccccc2 62a_100000185958_100000692680 [0,2,0,0,0,0|1,0,0]=3 8735 B19R2.11834 Cc1cc(ncc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000692680 [0,2,0,0,0,0|1,0,0]=3 8736 B19R2.11834 Cc1cc(nnc1N)SCC(O)c2ccccc2 62a_100000185958_100153394926 [0,2,0,0,0,0|2,0,0]=4 8737 B19R2.11834 Cc1cc(nnc1N)SCC(O)c2ccccc2 62a_100153394926_100000185958 [0,2,0,0,0,0|2,0,0]=4 8738 B19R2.11834 Cc1cc(nnc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100153394926 [0,2,0,0,0,0|2,0,0]=4 8739 B19R2.11834 Cc1cc(nnc1N)SC[C@@H](O)c2ccccc2 62a_100153394926_100011933945 [0,2,0,0,0,0|2,0,0]=4 8740 B19R2.11834 Cc1ccc(cc1Br)NCC(C)c2ccccc2 2230a_100000736455_100000756946 [0,2,0,0,0,0|2,0,0]=4 8741 B19R2.11834 Cc1ccc(cc1Br)NCC(C)c2ccccc2 34a_100000736455_100000756946 [0,2,0,0,0,0|2,0,0]=4 8742 B19R2.11834 Cc1ccc(cc1Br)NCC(C)c2ccccc2 7a_100000736455_100000756946 [0,2,0,0,0,0|2,0,0]=4 8743 B19R2.11834 Cc1ccc(cc1Br)NCC(O)c2ccccc2 2230a_100000736455_100000185958 [0,2,0,0,0,0|1,0,0]=3 8744 B19R2.11834 Cc1ccc(cc1Br)NCC(O)c2ccccc2 34a_100000736455_100000185958 [0,2,0,0,0,0|1,0,0]=3 8745 B19R2.11834 Cc1ccc(cc1Br)NCC(O)c2ccccc2 7a_100000736455_100000185958 [0,2,0,0,0,0|1,0,0]=3 8746 B19R2.11834 Cc1ccc(cc1Br)NC[C@@H](O)c2ccccc2 2230a_100000736455_100011933945 [0,2,0,0,0,0|1,0,0]=3 8747 B19R2.11834 Cc1ccc(cc1Br)NC[C@@H](O)c2ccccc2 34a_100000736455_100011933945 [0,2,0,0,0,0|1,0,0]=3 8748 B19R2.11834 Cc1ccc(cc1Br)NC[C@@H](O)c2ccccc2 7a_100000736455_100011933945 [0,2,0,0,0,0|1,0,0]=3 8749 B19R2.11834 Cc1ccc(cc1Br)OCC(O)c2ccccc2 34a_100011380479_100000185958 [0,2,0,0,0,0|2,0,0]=4 8750 B19R2.11834 Cc1ccc(cc1Br)OCC(O)c2ccccc2 7a_100011380479_100000185958 [0,2,0,0,0,0|2,0,0]=4 8751 B19R2.11834 Cc1ccc(cc1Br)OC[C@@H](O)c2ccccc2 34a_100011380479_100011933945 [0,2,0,0,0,0|2,0,0]=4 8752 B19R2.11834 Cc1ccc(cc1Br)OC[C@@H](O)c2ccccc2 7a_100011380479_100011933945 [0,2,0,0,0,0|2,0,0]=4 8753 B19R2.11834 Cc1ccc(cc1Br)SCC(O)c2ccccc2 62a_100000185958_100011847877 [0,2,0,0,0,0|2,0,0]=4 8754 B19R2.11834 Cc1ccc(cc1Br)SCC(O)c2ccccc2 62a_100011847877_100000185958 [0,2,0,0,0,0|2,0,0]=4 8755 B19R2.11834 Cc1ccc(cc1Br)SC[C@@H](O)c2ccccc2 62a_100011847877_100011933945 [0,2,0,0,0,0|2,0,0]=4 8756 B19R2.11834 Cc1ccc(cc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100011847877 [0,2,0,0,0,0|2,0,0]=4 8757 B19R2.11834 Cc1ccc(cc1C)NCC(C)c2ccccc2 2230a_100000724040_100000756946 [0,2,0,0,0,0|2,0,0]=4 8758 B19R2.11834 Cc1ccc(cc1C)NCC(C)c2ccccc2 34a_100000724040_100000756946 [0,2,0,0,0,0|2,0,0]=4 8759 B19R2.11834 Cc1ccc(cc1C)NCC(C)c2ccccc2 7a_100000724040_100000756946 [0,2,0,0,0,0|2,0,0]=4 8760 B19R2.11834 Cc1ccc(cc1C)NCC(O)c2ccccc2 2230a_100000724040_100000185958 [0,2,0,0,0,0|1,0,0]=3 8761 B19R2.11834 Cc1ccc(cc1C)NCC(O)c2ccccc2 34a_100000724040_100000185958 [0,2,0,0,0,0|1,0,0]=3 8762 B19R2.11834 Cc1ccc(cc1C)NCC(O)c2ccccc2 7a_100000724040_100000185958 [0,2,0,0,0,0|1,0,0]=3 8763 B19R2.11834 Cc1ccc(cc1C)NC[C@@H](O)c2ccccc2 2230a_100000724040_100011933945 [0,2,0,0,0,0|1,0,0]=3 8764 B19R2.11834 Cc1ccc(cc1C)NC[C@@H](O)c2ccccc2 34a_100000724040_100011933945 [0,2,0,0,0,0|1,0,0]=3 8765 B19R2.11834 Cc1ccc(cc1C)NC[C@@H](O)c2ccccc2 7a_100000724040_100011933945 [0,2,0,0,0,0|1,0,0]=3 8766 B19R2.11834 Cc1ccc(cc1C)OCC(O)c2ccccc2 34a_100000210932_100000185958 [0,2,0,0,0,0|2,0,0]=4 8767 B19R2.11834 Cc1ccc(cc1C)OCC(O)c2ccccc2 7a_100000210932_100000185958 [0,2,0,0,0,0|2,0,0]=4 8768 B19R2.11834 Cc1ccc(cc1C)OC[C@@H](O)c2ccccc2 34a_100000210932_100011933945 [0,2,0,0,0,0|2,0,0]=4 8769 B19R2.11834 Cc1ccc(cc1C)OC[C@@H](O)c2ccccc2 7a_100000210932_100011933945 [0,2,0,0,0,0|2,0,0]=4 8770 B19R2.11834 Cc1ccc(cc1C)SCC(O)c2ccccc2 62a_100000185958_100011215607 [0,2,0,0,0,0|2,0,0]=4 8771 B19R2.11834 Cc1ccc(cc1C)SCC(O)c2ccccc2 62a_100011215607_100000185958 [0,2,0,0,0,0|2,0,0]=4 8772 B19R2.11834 Cc1ccc(cc1C)SC[C@@H](O)c2ccccc2 62a_100011215607_100011933945 [0,2,0,0,0,0|2,0,0]=4 8773 B19R2.11834 Cc1ccc(cc1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215607 [0,2,0,0,0,0|2,0,0]=4 8774 B19R2.11834 Cc1ccc(cc1Cl)NCC(C)c2ccccc2 2230a_100000188892_100000756946 [0,2,0,0,0,0|2,0,0]=4 8775 B19R2.11834 Cc1ccc(cc1Cl)NCC(C)c2ccccc2 34a_100000188892_100000756946 [0,2,0,0,0,0|2,0,0]=4 8776 B19R2.11834 Cc1ccc(cc1Cl)NCC(C)c2ccccc2 7a_100000188892_100000756946 [0,2,0,0,0,0|2,0,0]=4 8777 B19R2.11834 Cc1ccc(cc1Cl)NCC(O)c2ccccc2 2230a_100000188892_100000185958 [0,2,0,0,0,0|1,0,0]=3 8778 B19R2.11834 Cc1ccc(cc1Cl)NCC(O)c2ccccc2 34a_100000188892_100000185958 [0,2,0,0,0,0|1,0,0]=3 8779 B19R2.11834 Cc1ccc(cc1Cl)NCC(O)c2ccccc2 7a_100000188892_100000185958 [0,2,0,0,0,0|1,0,0]=3 8780 B19R2.11834 Cc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 2230a_100000188892_100011933945 [0,2,0,0,0,0|1,0,0]=3 8781 B19R2.11834 Cc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 34a_100000188892_100011933945 [0,2,0,0,0,0|1,0,0]=3 8782 B19R2.11834 Cc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 7a_100000188892_100011933945 [0,2,0,0,0,0|1,0,0]=3 8783 B19R2.11834 Cc1ccc(cc1Cl)OCC(O)c2ccccc2 34a_100011265682_100000185958 [0,2,0,0,0,0|2,0,0]=4 8784 B19R2.11834 Cc1ccc(cc1Cl)OCC(O)c2ccccc2 7a_100011265682_100000185958 [0,2,0,0,0,0|2,0,0]=4 8785 B19R2.11834 Cc1ccc(cc1Cl)OC[C@@H](O)c2ccccc2 34a_100011265682_100011933945 [0,2,0,0,0,0|2,0,0]=4 8786 B19R2.11834 Cc1ccc(cc1Cl)OC[C@@H](O)c2ccccc2 7a_100011265682_100011933945 [0,2,0,0,0,0|2,0,0]=4 8787 B19R2.11834 Cc1ccc(cc1Cl)SCC(O)c2ccccc2 62a_100000185958_100011216363 [0,2,0,0,0,0|2,0,0]=4 8788 B19R2.11834 Cc1ccc(cc1Cl)SCC(O)c2ccccc2 62a_100011216363_100000185958 [0,2,0,0,0,0|2,0,0]=4 8789 B19R2.11834 Cc1ccc(cc1Cl)SC[C@@H](O)c2ccccc2 62a_100011216363_100011933945 [0,2,0,0,0,0|2,0,0]=4 8790 B19R2.11834 Cc1ccc(cc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100011216363 [0,2,0,0,0,0|2,0,0]=4 8791 B19R2.11834 Cc1ccc(cc1F)NCC(C)c2ccccc2 2230a_100000210958_100000756946 [0,2,0,0,0,0|2,0,0]=4 8792 B19R2.11834 Cc1ccc(cc1F)NCC(C)c2ccccc2 34a_100000210958_100000756946 [0,2,0,0,0,0|2,0,0]=4 8793 B19R2.11834 Cc1ccc(cc1F)NCC(C)c2ccccc2 7a_100000210958_100000756946 [0,2,0,0,0,0|2,0,0]=4 8794 B19R2.11834 Cc1ccc(cc1F)NCC(O)c2ccccc2 2230a_100000210958_100000185958 [0,2,0,0,0,0|1,0,0]=3 8795 B19R2.11834 Cc1ccc(cc1F)NCC(O)c2ccccc2 34a_100000210958_100000185958 [0,2,0,0,0,0|1,0,0]=3 8796 B19R2.11834 Cc1ccc(cc1F)NCC(O)c2ccccc2 7a_100000210958_100000185958 [0,2,0,0,0,0|1,0,0]=3 8797 B19R2.11834 Cc1ccc(cc1F)NC[C@@H](O)c2ccccc2 2230a_100000210958_100011933945 [0,2,0,0,0,0|1,0,0]=3 8798 B19R2.11834 Cc1ccc(cc1F)NC[C@@H](O)c2ccccc2 34a_100000210958_100011933945 [0,2,0,0,0,0|1,0,0]=3 8799 B19R2.11834 Cc1ccc(cc1F)NC[C@@H](O)c2ccccc2 7a_100000210958_100011933945 [0,2,0,0,0,0|1,0,0]=3 8800 B19R2.11834 Cc1ccc(cc1F)OCC(O)c2ccccc2 34a_100000722560_100000185958 [0,2,0,0,0,0|2,0,0]=4 8801 B19R2.11834 Cc1ccc(cc1F)OCC(O)c2ccccc2 7a_100000722560_100000185958 [0,2,0,0,0,0|2,0,0]=4 8802 B19R2.11834 Cc1ccc(cc1F)OC[C@@H](O)c2ccccc2 34a_100000722560_100011933945 [0,2,0,0,0,0|2,0,0]=4 8803 B19R2.11834 Cc1ccc(cc1F)OC[C@@H](O)c2ccccc2 7a_100000722560_100011933945 [0,2,0,0,0,0|2,0,0]=4 8804 B19R2.11834 Cc1ccc(cc1F)SCC(O)c2ccccc2 62a_100000185958_100000720648 [0,2,0,0,0,0|2,0,0]=4 8805 B19R2.11834 Cc1ccc(cc1F)SCC(O)c2ccccc2 62a_100000720648_100000185958 [0,2,0,0,0,0|2,0,0]=4 8806 B19R2.11834 Cc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100000720648_100011933945 [0,2,0,0,0,0|2,0,0]=4 8807 B19R2.11834 Cc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000720648 [0,2,0,0,0,0|2,0,0]=4 8808 B19R2.11834 Cc1ccc(cc1I)NCC(C)c2ccccc2 34a_100000184131_100000756946 [0,2,0,0,0,0|2,0,0]=4 8809 B19R2.11834 Cc1ccc(cc1I)NCC(C)c2ccccc2 7a_100000184131_100000756946 [0,2,0,0,0,0|2,0,0]=4 8810 B19R2.11834 Cc1ccc(cc1I)NCC(O)c2ccccc2 34a_100000184131_100000185958 [0,2,0,0,0,0|1,0,0]=3 8811 B19R2.11834 Cc1ccc(cc1I)NCC(O)c2ccccc2 7a_100000184131_100000185958 [0,2,0,0,0,0|1,0,0]=3 8812 B19R2.11834 Cc1ccc(cc1I)NC[C@@H](O)c2ccccc2 34a_100000184131_100011933945 [0,2,0,0,0,0|1,0,0]=3 8813 B19R2.11834 Cc1ccc(cc1I)NC[C@@H](O)c2ccccc2 7a_100000184131_100011933945 [0,2,0,0,0,0|1,0,0]=3 8814 B19R2.11834 Cc1ccc(cc1N)OCC(O)c2ccccc2 34a_100011216113_100000185958 [0,2,0,0,0,0|2,0,0]=4 8815 B19R2.11834 Cc1ccc(cc1N)OCC(O)c2ccccc2 7a_100011216113_100000185958 [0,2,0,0,0,0|2,0,0]=4 8816 B19R2.11834 Cc1ccc(cc1N)OC[C@@H](O)c2ccccc2 34a_100011216113_100011933945 [0,2,0,0,0,0|2,0,0]=4 8817 B19R2.11834 Cc1ccc(cc1N)OC[C@@H](O)c2ccccc2 7a_100011216113_100011933945 [0,2,0,0,0,0|2,0,0]=4 8818 B19R2.11834 Cc1ccc(cc1N)SCC(O)c2ccccc2 62a_100000185958_100000761890 [0,2,0,0,0,0|2,0,0]=4 8819 B19R2.11834 Cc1ccc(cc1N)SCC(O)c2ccccc2 62a_100000761890_100000185958 [0,2,0,0,0,0|2,0,0]=4 8820 B19R2.11834 Cc1ccc(cc1N)SC[C@@H](O)c2ccccc2 62a_100000761890_100011933945 [0,2,0,0,0,0|2,0,0]=4 8821 B19R2.11834 Cc1ccc(cc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000761890 [0,2,0,0,0,0|2,0,0]=4 8822 B19R2.11834 Cc1ccc(cc1O)NCC(C)c2ccccc2 34a_100000759471_100000756946 [0,2,0,0,0,0|2,0,0]=4 8823 B19R2.11834 Cc1ccc(cc1O)NCC(C)c2ccccc2 7a_100000759471_100000756946 [0,2,0,0,0,0|2,0,0]=4 8824 B19R2.11834 Cc1ccc(cc1O)NCC(O)c2ccccc2 34a_100000759471_100000185958 [0,2,0,0,0,0|1,0,0]=3 8825 B19R2.11834 Cc1ccc(cc1O)NCC(O)c2ccccc2 7a_100000759471_100000185958 [0,2,0,0,0,0|1,0,0]=3 8826 B19R2.11834 Cc1ccc(cc1O)NC[C@@H](O)c2ccccc2 34a_100000759471_100011933945 [0,2,0,0,0,0|1,0,0]=3 8827 B19R2.11834 Cc1ccc(cc1O)NC[C@@H](O)c2ccccc2 7a_100000759471_100011933945 [0,2,0,0,0,0|1,0,0]=3 8828 B19R2.11834 Cc1ccc(cc1O)SCC(O)c2ccccc2 62a_100000185958_100000685420 [0,2,0,0,0,0|2,0,0]=4 8829 B19R2.11834 Cc1ccc(cc1O)SCC(O)c2ccccc2 62a_100000685420_100000185958 [0,2,0,0,0,0|2,0,0]=4 8830 B19R2.11834 Cc1ccc(cc1O)SC[C@@H](O)c2ccccc2 62a_100000685420_100011933945 [0,2,0,0,0,0|2,0,0]=4 8831 B19R2.11834 Cc1ccc(cc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000685420 [0,2,0,0,0,0|2,0,0]=4 8832 B19R2.11834 Cc1ccc(nc1C)SCC(C)c2ccccc2 62a_100000103781_100000756946 [0,2,0,0,0,0|2,0,0]=4 8833 B19R2.11834 Cc1ccc(nc1C)SCC(C)c2ccccc2 62a_100000756946_100000103781 [0,2,0,0,0,0|2,0,0]=4 8834 B19R2.11834 Cc1ccc(nc1C)SCC(O)c2ccccc2 62a_100000103781_100000185958 [0,2,0,0,0,0|1,0,0]=3 8835 B19R2.11834 Cc1ccc(nc1C)SCC(O)c2ccccc2 62a_100000185958_100000103781 [0,2,0,0,0,0|1,0,0]=3 8836 B19R2.11834 Cc1ccc(nc1C)SC[C@@H](O)c2ccccc2 62a_100000103781_100011933945 [0,2,0,0,0,0|1,0,0]=3 8837 B19R2.11834 Cc1ccc(nc1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100000103781 [0,2,0,0,0,0|1,0,0]=3 8838 B19R2.11834 Cc1ccc(nc1N)SCC(C)c2ccccc2 62a_100000756946_100009857032 [0,2,0,0,0,0|2,0,0]=4 8839 B19R2.11834 Cc1ccc(nc1N)SCC(C)c2ccccc2 62a_100009857032_100000756946 [0,2,0,0,0,0|2,0,0]=4 8840 B19R2.11834 Cc1ccc(nc1N)SCC(O)c2ccccc2 62a_100000185958_100009857032 [0,2,0,0,0,0|1,0,0]=3 8841 B19R2.11834 Cc1ccc(nc1N)SCC(O)c2ccccc2 62a_100009857032_100000185958 [0,2,0,0,0,0|1,0,0]=3 8842 B19R2.11834 Cc1ccc(nc1N)SC[C@@H](O)c2ccccc2 62a_100009857032_100011933945 [0,2,0,0,0,0|1,0,0]=3 8843 B19R2.11834 Cc1ccc(nc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100009857032 [0,2,0,0,0,0|1,0,0]=3 8844 B19R2.11834 Cc1cnc(cc1Br)OCC(C)c2ccccc2 34a_100009831917_100000756946 [0,2,0,0,0,0|2,0,0]=4 8845 B19R2.11834 Cc1cnc(cc1Br)OCC(O)c2ccccc2 34a_100009831917_100000185958 [0,2,0,0,0,0|1,0,0]=3 8846 B19R2.11834 Cc1cnc(cc1Br)OC[C@@H](O)c2ccccc2 34a_100009831917_100011933945 [0,2,0,0,0,0|1,0,0]=3 8847 B19R2.11834 Cc1cnc(cc1C)SCC(C)c2ccccc2 62a_100000756946_100009850809 [0,2,0,0,0,0|2,0,0]=4 8848 B19R2.11834 Cc1cnc(cc1C)SCC(C)c2ccccc2 62a_100009850809_100000756946 [0,2,0,0,0,0|2,0,0]=4 8849 B19R2.11834 Cc1cnc(cc1C)SCC(O)c2ccccc2 62a_100000185958_100009850809 [0,2,0,0,0,0|1,0,0]=3 8850 B19R2.11834 Cc1cnc(cc1C)SCC(O)c2ccccc2 62a_100009850809_100000185958 [0,2,0,0,0,0|1,0,0]=3 8851 B19R2.11834 Cc1cnc(cc1C)SC[C@@H](O)c2ccccc2 62a_100009850809_100011933945 [0,2,0,0,0,0|1,0,0]=3 8852 B19R2.11834 Cc1cnc(cc1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100009850809 [0,2,0,0,0,0|1,0,0]=3 8853 B19R2.11834 Cc1cnc(cc1F)NCC(C)c2ccccc2 27a_100000701038_100009841206 [0,2,0,0,0,0|1,0,0]=3 8854 B19R2.11834 Cc1cnc(cc1F)NCC(O)c2ccccc2 27a_100000210709_100009841206 [0,2,0,0,0,0|0,0,0]=2 8855 B19R2.11834 Cc1cnc(cc1F)NCC(O)c2ccccn2 27a_100000691469_100009841206 [0,2,0,0,0,0|1,0,0]=3 8856 B19R2.11834 Cc1cnc(cc1F)NCC(O)c2cccnc2 27a_100020605170_100009841206 [0,2,0,0,0,0|1,0,0]=3 8857 B19R2.11834 Cc1cnc(cc1F)SCC(C)c2ccccc2 62a_100000756946_100009841206 [0,2,0,0,0,0|2,0,0]=4 8858 B19R2.11834 Cc1cnc(cc1F)SCC(C)c2ccccc2 62a_100009841206_100000756946 [0,2,0,0,0,0|2,0,0]=4 8859 B19R2.11834 Cc1cnc(cc1F)SCC(O)c2ccccc2 62a_100000185958_100009841206 [0,2,0,0,0,0|1,0,0]=3 8860 B19R2.11834 Cc1cnc(cc1F)SCC(O)c2ccccc2 62a_100009841206_100000185958 [0,2,0,0,0,0|1,0,0]=3 8861 B19R2.11834 Cc1cnc(cc1F)SC[C@@H](O)c2ccccc2 62a_100009841206_100011933945 [0,2,0,0,0,0|1,0,0]=3 8862 B19R2.11834 Cc1cnc(cc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009841206 [0,2,0,0,0,0|1,0,0]=3 8863 B19R2.11834 Cc1cnc(cc1N)SCC(C)c2ccccc2 62a_100000126663_100000756946 [0,2,0,0,0,0|2,0,0]=4 8864 B19R2.11834 Cc1cnc(cc1N)SCC(C)c2ccccc2 62a_100000756946_100000126663 [0,2,0,0,0,0|2,0,0]=4 8865 B19R2.11834 Cc1cnc(cc1N)SCC(O)c2ccccc2 62a_100000126663_100000185958 [0,2,0,0,0,0|1,0,0]=3 8866 B19R2.11834 Cc1cnc(cc1N)SCC(O)c2ccccc2 62a_100000185958_100000126663 [0,2,0,0,0,0|1,0,0]=3 8867 B19R2.11834 Cc1cnc(cc1N)SC[C@@H](O)c2ccccc2 62a_100000126663_100011933945 [0,2,0,0,0,0|1,0,0]=3 8868 B19R2.11834 Cc1cnc(cc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000126663 [0,2,0,0,0,0|1,0,0]=3 8869 B19R2.11834 Cc1cnc(cc1O)SCC(C)c2ccccc2 62a_100000704368_100000756946 [0,2,0,0,0,0|2,0,0]=4 8870 B19R2.11834 Cc1cnc(cc1O)SCC(C)c2ccccc2 62a_100000756946_100000704368 [0,2,0,0,0,0|2,0,0]=4 8871 B19R2.11834 Cc1cnc(cc1O)SCC(O)c2ccccc2 62a_100000185958_100000704368 [0,2,0,0,0,0|1,0,0]=3 8872 B19R2.11834 Cc1cnc(cc1O)SCC(O)c2ccccc2 62a_100000704368_100000185958 [0,2,0,0,0,0|1,0,0]=3 8873 B19R2.11834 Cc1cnc(cc1O)SC[C@@H](O)c2ccccc2 62a_100000704368_100011933945 [0,2,0,0,0,0|1,0,0]=3 8874 B19R2.11834 Cc1cnc(cc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000704368 [0,2,0,0,0,0|1,0,0]=3 8875 B19R2.11834 Cc1cnc(nc1N)NCC(C)c2ccccc2 27a_100000701038_100011996698 [0,2,0,0,0,0|2,0,0]=4 8876 B19R2.11834 Cc1cnc(nc1N)NCC(O)c2ccccc2 27a_100000210709_100011996698 [0,2,0,0,0,0|1,0,0]=3 8877 B19R2.11834 Cc1cnc(nc1N)NCC(O)c2ccccn2 27a_100000691469_100011996698 [0,2,0,0,0,0|2,0,0]=4 8878 B19R2.11834 Cc1cnc(nc1N)NCC(O)c2cccnc2 27a_100020605170_100011996698 [0,2,0,0,0,0|2,0,0]=4 8879 B19R2.11834 Cc1cnc(nc1N)SCC(O)c2ccccc2 62a_100000185958_100011996698 [0,2,0,0,0,0|2,0,0]=4 8880 B19R2.11834 Cc1cnc(nc1N)SCC(O)c2ccccc2 62a_100011996698_100000185958 [0,2,0,0,0,0|2,0,0]=4 8881 B19R2.11834 Cc1cnc(nc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100011996698 [0,2,0,0,0,0|2,0,0]=4 8882 B19R2.11834 Cc1cnc(nc1N)SC[C@@H](O)c2ccccc2 62a_100011996698_100011933945 [0,2,0,0,0,0|2,0,0]=4 8883 B19R2.11834 Cc1nc(c[nH]c1=O)SCC(O)c2ccccc2 62a_100000185958_100010363809 [0,2,0,0,0,0|2,0,0]=4 8884 B19R2.11834 Cc1nc(c[nH]c1=O)SCC(O)c2ccccc2 62a_100010363809_100000185958 [0,2,0,0,0,0|2,0,0]=4 8885 B19R2.11834 Cc1nc(c[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100010363809_100011933945 [0,2,0,0,0,0|2,0,0]=4 8886 B19R2.11834 Cc1nc(c[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100010363809 [0,2,0,0,0,0|2,0,0]=4 8887 B19R2.11834 Cc1nc(ccc1Br)OCC(C)c2ccccc2 34a_100000691680_100000756946 [0,2,0,0,0,0|2,0,0]=4 8888 B19R2.11834 Cc1nc(ccc1Br)OCC(O)c2ccccc2 34a_100000691680_100000185958 [0,2,0,0,0,0|1,0,0]=3 8889 B19R2.11834 Cc1nc(ccc1Br)OC[C@@H](O)c2ccccc2 34a_100000691680_100011933945 [0,2,0,0,0,0|1,0,0]=3 8890 B19R2.11834 Cc1nc(ccc1Br)SCC(O)c2ccccc2 62a_100000185958_100012360386 [0,2,0,0,0,0|1,0,0]=3 8891 B19R2.11834 Cc1nc(ccc1Br)SCC(O)c2ccccc2 62a_100012360386_100000185958 [0,2,0,0,0,0|1,0,0]=3 8892 B19R2.11834 Cc1nc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100012360386 [0,2,0,0,0,0|1,0,0]=3 8893 B19R2.11834 Cc1nc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100012360386_100011933945 [0,2,0,0,0,0|1,0,0]=3 8894 B19R2.11834 Cc1nc(ccc1Cl)OCC(C)c2ccccc2 34a_200009863735_100000756946 [0,2,0,0,0,0|2,0,0]=4 8895 B19R2.11834 Cc1nc(ccc1Cl)OCC(O)c2ccccc2 34a_200009863735_100000185958 [0,2,0,0,0,0|1,0,0]=3 8896 B19R2.11834 Cc1nc(ccc1Cl)OC[C@@H](O)c2ccccc2 34a_200009863735_100011933945 [0,2,0,0,0,0|1,0,0]=3 8897 B19R2.11834 Cc1nc(ccc1F)SCC(C)c2ccccc2 62a_100000756946_100009814307 [0,2,0,0,0,0|2,0,0]=4 8898 B19R2.11834 Cc1nc(ccc1F)SCC(C)c2ccccc2 62a_100009814307_100000756946 [0,2,0,0,0,0|2,0,0]=4 8899 B19R2.11834 Cc1nc(ccc1F)SCC(O)c2ccccc2 62a_100000185958_100009814307 [0,2,0,0,0,0|1,0,0]=3 8900 B19R2.11834 Cc1nc(ccc1F)SCC(O)c2ccccc2 62a_100009814307_100000185958 [0,2,0,0,0,0|1,0,0]=3 8901 B19R2.11834 Cc1nc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100009814307_100011933945 [0,2,0,0,0,0|1,0,0]=3 8902 B19R2.11834 Cc1nc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009814307 [0,2,0,0,0,0|1,0,0]=3 8903 B19R2.11834 Cc1nc(ccc1N)SCC(C)c2ccccc2 62a_100000720120_100000756946 [0,2,0,0,0,0|2,0,0]=4 8904 B19R2.11834 Cc1nc(ccc1N)SCC(C)c2ccccc2 62a_100000756946_100000720120 [0,2,0,0,0,0|2,0,0]=4 8905 B19R2.11834 Cc1nc(ccc1N)SCC(O)c2ccccc2 62a_100000185958_100000720120 [0,2,0,0,0,0|1,0,0]=3 8906 B19R2.11834 Cc1nc(ccc1N)SCC(O)c2ccccc2 62a_100000720120_100000185958 [0,2,0,0,0,0|1,0,0]=3 8907 B19R2.11834 Cc1nc(ccc1N)SC[C@@H](O)c2ccccc2 62a_100000720120_100011933945 [0,2,0,0,0,0|1,0,0]=3 8908 B19R2.11834 Cc1nc(ccc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000720120 [0,2,0,0,0,0|1,0,0]=3 8909 B19R2.11834 Cc1nc(ccc1O)SCC(C)c2ccccc2 62a_100000756946_100010233687 [0,2,0,0,0,0|2,0,0]=4 8910 B19R2.11834 Cc1nc(ccc1O)SCC(C)c2ccccc2 62a_100010233687_100000756946 [0,2,0,0,0,0|2,0,0]=4 8911 B19R2.11834 Cc1nc(ccc1O)SCC(O)c2ccccc2 62a_100000185958_100010233687 [0,2,0,0,0,0|1,0,0]=3 8912 B19R2.11834 Cc1nc(ccc1O)SCC(O)c2ccccc2 62a_100010233687_100000185958 [0,2,0,0,0,0|1,0,0]=3 8913 B19R2.11834 Cc1nc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100010233687_100011933945 [0,2,0,0,0,0|1,0,0]=3 8914 B19R2.11834 Cc1nc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100010233687 [0,2,0,0,0,0|1,0,0]=3 8915 B19R2.11834 Cc1nc(cnc1N)SCC(O)c2ccccc2 62a_100000185958_100009818571 [0,2,0,0,0,0|2,0,0]=4 8916 B19R2.11834 Cc1nc(cnc1N)SCC(O)c2ccccc2 62a_100009818571_100000185958 [0,2,0,0,0,0|2,0,0]=4 8917 B19R2.11834 Cc1nc(cnc1N)SC[C@@H](O)c2ccccc2 62a_100009818571_100011933945 [0,2,0,0,0,0|2,0,0]=4 8918 B19R2.11834 Cc1nc(cnc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100009818571 [0,2,0,0,0,0|2,0,0]=4 8919 B19R2.11834 Cc1nc(ncc1Cl)NCC(C)c2ccccc2 27a_100000701038_100010174973 [0,2,0,0,0,0|2,0,0]=4 8920 B19R2.11834 Cc1nc(ncc1Cl)NCC(O)c2ccccc2 27a_100000210709_100010174973 [0,2,0,0,0,0|1,0,0]=3 8921 B19R2.11834 Cc1nc(ncc1Cl)NCC(O)c2ccccn2 27a_100000691469_100010174973 [0,2,0,0,0,0|2,0,0]=4 8922 B19R2.11834 Cc1nc(ncc1Cl)NCC(O)c2cccnc2 27a_100020605170_100010174973 [0,2,0,0,0,0|2,0,0]=4 8923 B19R2.11834 Cc1nc(ncc1Cl)SCC(O)c2ccccc2 62a_100000185958_100010174973 [0,2,0,0,0,0|2,0,0]=4 8924 B19R2.11834 Cc1nc(ncc1Cl)SCC(O)c2ccccc2 62a_100010174973_100000185958 [0,2,0,0,0,0|2,0,0]=4 8925 B19R2.11834 Cc1nc(ncc1Cl)SC[C@@H](O)c2ccccc2 62a_100010174973_100011933945 [0,2,0,0,0,0|2,0,0]=4 8926 B19R2.11834 Cc1nc(ncc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100010174973 [0,2,0,0,0,0|2,0,0]=4 8927 B19R2.11834 Cc1nc(ncc1F)NCC(C)c2ccccc2 27a_100000701038_100015641512 [0,2,0,0,0,0|2,0,0]=4 8928 B19R2.11834 Cc1nc(ncc1F)NCC(O)c2ccccc2 27a_100000210709_100015641512 [0,2,0,0,0,0|1,0,0]=3 8929 B19R2.11834 Cc1nc(ncc1F)NCC(O)c2ccccn2 27a_100000691469_100015641512 [0,2,0,0,0,0|2,0,0]=4 8930 B19R2.11834 Cc1nc(ncc1F)NCC(O)c2cccnc2 27a_100020605170_100015641512 [0,2,0,0,0,0|2,0,0]=4 8931 B19R2.11834 Cc1nc(ncc1F)SCC(O)c2ccccc2 62a_100000185958_100015641512 [0,2,0,0,0,0|2,0,0]=4 8932 B19R2.11834 Cc1nc(ncc1F)SCC(O)c2ccccc2 62a_100015641512_100000185958 [0,2,0,0,0,0|2,0,0]=4 8933 B19R2.11834 Cc1nc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100015641512 [0,2,0,0,0,0|2,0,0]=4 8934 B19R2.11834 Cc1nc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100015641512_100011933945 [0,2,0,0,0,0|2,0,0]=4 8935 B19R2.11834 Cc1nc(ncc1N)NCC(C)c2ccccc2 27a_100000701038_100000123670 [0,2,0,0,0,0|2,0,0]=4 8936 B19R2.11834 Cc1nc(ncc1N)NCC(O)c2ccccc2 27a_100000210709_100000123670 [0,2,0,0,0,0|1,0,0]=3 8937 B19R2.11834 Cc1nc(ncc1N)NCC(O)c2ccccn2 27a_100000691469_100000123670 [0,2,0,0,0,0|2,0,0]=4 8938 B19R2.11834 Cc1nc(ncc1N)NCC(O)c2cccnc2 27a_100020605170_100000123670 [0,2,0,0,0,0|2,0,0]=4 8939 B19R2.11834 Cc1nc(ncc1N)SCC(O)c2ccccc2 62a_100000123670_100000185958 [0,2,0,0,0,0|2,0,0]=4 8940 B19R2.11834 Cc1nc(ncc1N)SCC(O)c2ccccc2 62a_100000185958_100000123670 [0,2,0,0,0,0|2,0,0]=4 8941 B19R2.11834 Cc1nc(ncc1N)SC[C@@H](O)c2ccccc2 62a_100000123670_100011933945 [0,2,0,0,0,0|2,0,0]=4 8942 B19R2.11834 Cc1nc(ncc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000123670 [0,2,0,0,0,0|2,0,0]=4 8943 B19R2.11834 Cc1ncc(nc1C)NCC(C)c2ccccc2 27a_100000701038_100009878948 [0,2,0,0,0,0|2,0,0]=4 8944 B19R2.11834 Cc1ncc(nc1C)NCC(O)c2ccccc2 27a_100000210709_100009878948 [0,2,0,0,0,0|1,0,0]=3 8945 B19R2.11834 Cc1ncc(nc1C)NCC(O)c2ccccn2 27a_100000691469_100009878948 [0,2,0,0,0,0|2,0,0]=4 8946 B19R2.11834 Cc1ncc(nc1C)NCC(O)c2cccnc2 27a_100020605170_100009878948 [0,2,0,0,0,0|2,0,0]=4 8947 B19R2.11834 Cc1ncc(nc1C)OCC(O)c2ccccc2 34a_200000700380_100000185958 [0,2,0,0,0,0|2,0,0]=4 8948 B19R2.11834 Cc1ncc(nc1C)OC[C@@H](O)c2ccccc2 34a_200000700380_100011933945 [0,2,0,0,0,0|2,0,0]=4 8949 B19R2.11834 Cc1ncc(nc1C)SCC(O)c2ccccc2 62a_100000185958_100009878948 [0,2,0,0,0,0|2,0,0]=4 8950 B19R2.11834 Cc1ncc(nc1C)SCC(O)c2ccccc2 62a_100009878948_100000185958 [0,2,0,0,0,0|2,0,0]=4 8951 B19R2.11834 Cc1ncc(nc1C)SC[C@@H](O)c2ccccc2 62a_100009878948_100011933945 [0,2,0,0,0,0|2,0,0]=4 8952 B19R2.11834 Cc1ncc(nc1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100009878948 [0,2,0,0,0,0|2,0,0]=4 8953 B19R2.11834 Cn1cc(ncc1=O)SCC(O)c2ccccc2 62a_100000185958_100009843036 [0,2,0,0,0,0|2,0,0]=4 8954 B19R2.11834 Cn1cc(ncc1=O)SCC(O)c2ccccc2 62a_100009843036_100000185958 [0,2,0,0,0,0|2,0,0]=4 8955 B19R2.11834 Cn1cc(ncc1=O)SC[C@@H](O)c2ccccc2 62a_100009843036_100011933945 [0,2,0,0,0,0|2,0,0]=4 8956 B19R2.11834 Cn1cc(ncc1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009843036 [0,2,0,0,0,0|2,0,0]=4 8957 B19R2.11834 Cn1ccc(cc1=O)NCC(O)c2ccccc2 27a_100000210709_100009820031 [0,2,0,0,0,0|2,0,0]=4 8958 B19R2.11834 Cn1cnc(cc1=O)NCC(O)c2ccccc2 27a_100000210709_100012179353 [0,2,0,0,0,0|1,0,0]=3 8959 B19R2.11834 Cn1cnc(cc1=O)NCC(O)c2ccccn2 27a_100000691469_100012179353 [0,2,0,0,0,0|2,0,0]=4 8960 B19R2.11834 Cn1cnc(cc1=O)NCC(O)c2cccnc2 27a_100020605170_100012179353 [0,2,0,0,0,0|2,0,0]=4 8961 B19R2.11834 Cn1cnc(cc1=O)SCC(O)c2ccccc2 62a_100000185958_100012179353 [0,2,0,0,0,0|2,0,0]=4 8962 B19R2.11834 Cn1cnc(cc1=O)SCC(O)c2ccccc2 62a_100012179353_100000185958 [0,2,0,0,0,0|2,0,0]=4 8963 B19R2.11834 Cn1cnc(cc1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100012179353 [0,2,0,0,0,0|2,0,0]=4 8964 B19R2.11834 Cn1cnc(cc1=O)SC[C@@H](O)c2ccccc2 62a_100012179353_100011933945 [0,2,0,0,0,0|2,0,0]=4 8965 B19R2.11834 Cn1nc(ccc1=O)SCC(O)c2ccccc2 62a_100000185958_100009820752 [0,2,0,0,0,0|2,0,0]=4 8966 B19R2.11834 Cn1nc(ccc1=O)SCC(O)c2ccccc2 62a_100009820752_100000185958 [0,2,0,0,0,0|2,0,0]=4 8967 B19R2.11834 Cn1nc(ccc1=O)SC[C@@H](O)c2ccccc2 62a_100009820752_100011933945 [0,2,0,0,0,0|2,0,0]=4 8968 B19R2.11834 Cn1nc(ccc1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009820752 [0,2,0,0,0,0|2,0,0]=4 8969 B19R2.11834 Nc1cc(ccc1Br)OCC(O)c2ccccc2 34a_100011999798_100000185958 [0,2,0,0,0,0|2,0,0]=4 8970 B19R2.11834 Nc1cc(ccc1Br)OCC(O)c2ccccc2 7a_100011999798_100000185958 [0,2,0,0,0,0|2,0,0]=4 8971 B19R2.11834 Nc1cc(ccc1Br)OC[C@@H](O)c2ccccc2 34a_100011999798_100011933945 [0,2,0,0,0,0|2,0,0]=4 8972 B19R2.11834 Nc1cc(ccc1Br)OC[C@@H](O)c2ccccc2 7a_100011999798_100011933945 [0,2,0,0,0,0|2,0,0]=4 8973 B19R2.11834 Nc1cc(ccc1Br)SCC(O)c2ccccc2 62a_100000185958_100000750456 [0,2,0,0,0,0|2,0,0]=4 8974 B19R2.11834 Nc1cc(ccc1Br)SCC(O)c2ccccc2 62a_100000750456_100000185958 [0,2,0,0,0,0|2,0,0]=4 8975 B19R2.11834 Nc1cc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100000750456_100011933945 [0,2,0,0,0,0|2,0,0]=4 8976 B19R2.11834 Nc1cc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100000750456 [0,2,0,0,0,0|2,0,0]=4 8977 B19R2.11834 Nc1cc(ccc1Cl)OCC(O)c2ccccc2 34a_100011934297_100000185958 [0,2,0,0,0,0|2,0,0]=4 8978 B19R2.11834 Nc1cc(ccc1Cl)OC[C@@H](O)c2ccccc2 34a_100011934297_100011933945 [0,2,0,0,0,0|2,0,0]=4 8979 B19R2.11834 Nc1cc(ccc1Cl)SCC(O)c2ccccc2 62a_100000185958_200000761891 [0,2,0,0,0,0|2,0,0]=4 8980 B19R2.11834 Nc1cc(ccc1Cl)SCC(O)c2ccccc2 62a_200000761891_100000185958 [0,2,0,0,0,0|2,0,0]=4 8981 B19R2.11834 Nc1cc(ccc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_200000761891 [0,2,0,0,0,0|2,0,0]=4 8982 B19R2.11834 Nc1cc(ccc1Cl)SC[C@@H](O)c2ccccc2 62a_200000761891_100011933945 [0,2,0,0,0,0|2,0,0]=4 8983 B19R2.11834 Nc1cc(ccc1F)OCC(O)c2ccccc2 34a_100012017239_100000185958 [0,2,0,0,0,0|2,0,0]=4 8984 B19R2.11834 Nc1cc(ccc1F)OCC(O)c2ccccc2 7a_100012017239_100000185958 [0,2,0,0,0,0|2,0,0]=4 8985 B19R2.11834 Nc1cc(ccc1F)OC[C@@H](O)c2ccccc2 34a_100012017239_100011933945 [0,2,0,0,0,0|2,0,0]=4 8986 B19R2.11834 Nc1cc(ccc1F)OC[C@@H](O)c2ccccc2 7a_100012017239_100011933945 [0,2,0,0,0,0|2,0,0]=4 8987 B19R2.11834 Nc1cc(ccc1F)SCC(O)c2ccccc2 62a_100000185958_100000740924 [0,2,0,0,0,0|2,0,0]=4 8988 B19R2.11834 Nc1cc(ccc1F)SCC(O)c2ccccc2 62a_100000740924_100000185958 [0,2,0,0,0,0|2,0,0]=4 8989 B19R2.11834 Nc1cc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100000740924_100011933945 [0,2,0,0,0,0|2,0,0]=4 8990 B19R2.11834 Nc1cc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000740924 [0,2,0,0,0,0|2,0,0]=4 8991 B19R2.11834 Nc1cc(ccc1O)SCC(O)c2ccccc2 62a_100000185958_100000752626 [0,2,0,0,0,0|2,0,0]=4 8992 B19R2.11834 Nc1cc(ccc1O)SCC(O)c2ccccc2 62a_100000752626_100000185958 [0,2,0,0,0,0|2,0,0]=4 8993 B19R2.11834 Nc1cc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100000752626_100011933945 [0,2,0,0,0,0|2,0,0]=4 8994 B19R2.11834 Nc1cc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000752626 [0,2,0,0,0,0|2,0,0]=4 8995 B19R2.11834 Nc1cc(n[nH]c1=O)SCC(O)c2ccccc2 62a_100000185958_100000102183 [0,2,0,0,0,0|2,0,0]=4 8996 B19R2.11834 Nc1cc(n[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000102183 [0,2,0,0,0,0|2,0,0]=4 8997 B19R2.11834 Nc1cc(ncc1F)SCC(O)c2ccccc2 62a_100000126464_100000185958 [0,2,0,0,0,0|1,0,0]=3 8998 B19R2.11834 Nc1cc(ncc1F)SCC(O)c2ccccc2 62a_100000185958_100000126464 [0,2,0,0,0,0|1,0,0]=3 8999 B19R2.11834 Nc1cc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100000126464_100011933945 [0,2,0,0,0,0|1,0,0]=3 9000 B19R2.11834 Nc1cc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000126464 [0,2,0,0,0,0|1,0,0]=3 9001 B19R2.11834 Nc1cc(ncc1O)SCC(O)c2ccccc2 62a_100000185958_100009819941 [0,2,0,0,0,0|1,0,0]=3 9002 B19R2.11834 Nc1cc(ncc1O)SCC(O)c2ccccc2 62a_100009819941_100000185958 [0,2,0,0,0,0|1,0,0]=3 9003 B19R2.11834 Nc1cc(ncc1O)SC[C@@H](O)c2ccccc2 62a_100009819941_100011933945 [0,2,0,0,0,0|1,0,0]=3 9004 B19R2.11834 Nc1cc(ncc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009819941 [0,2,0,0,0,0|1,0,0]=3 9005 B19R2.11834 Nc1ccc(cc1Br)OCC(O)c2ccccc2 34a_100012001276_100000185958 [0,2,0,0,0,0|2,0,0]=4 9006 B19R2.11834 Nc1ccc(cc1Br)OCC(O)c2ccccc2 7a_100012001276_100000185958 [0,2,0,0,0,0|2,0,0]=4 9007 B19R2.11834 Nc1ccc(cc1Br)OC[C@@H](O)c2ccccc2 34a_100012001276_100011933945 [0,2,0,0,0,0|2,0,0]=4 9008 B19R2.11834 Nc1ccc(cc1Br)OC[C@@H](O)c2ccccc2 7a_100012001276_100011933945 [0,2,0,0,0,0|2,0,0]=4 9009 B19R2.11834 Nc1ccc(cc1Br)SCC(O)c2ccccc2 62a_100000185958_100000750455 [0,2,0,0,0,0|2,0,0]=4 9010 B19R2.11834 Nc1ccc(cc1Br)SCC(O)c2ccccc2 62a_100000750455_100000185958 [0,2,0,0,0,0|2,0,0]=4 9011 B19R2.11834 Nc1ccc(cc1Br)SC[C@@H](O)c2ccccc2 62a_100000750455_100011933945 [0,2,0,0,0,0|2,0,0]=4 9012 B19R2.11834 Nc1ccc(cc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100000750455 [0,2,0,0,0,0|2,0,0]=4 9013 B19R2.11834 Nc1ccc(cc1Cl)OCC(O)c2ccccc2 34a_100011215599_100000185958 [0,2,0,0,0,0|2,0,0]=4 9014 B19R2.11834 Nc1ccc(cc1Cl)OCC(O)c2ccccc2 7a_100011215599_100000185958 [0,2,0,0,0,0|2,0,0]=4 9015 B19R2.11834 Nc1ccc(cc1Cl)OC[C@@H](O)c2ccccc2 34a_100011215599_100011933945 [0,2,0,0,0,0|2,0,0]=4 9016 B19R2.11834 Nc1ccc(cc1Cl)OC[C@@H](O)c2ccccc2 7a_100011215599_100011933945 [0,2,0,0,0,0|2,0,0]=4 9017 B19R2.11834 Nc1ccc(cc1Cl)SCC(O)c2ccccc2 62a_100000185958_100011218065 [0,2,0,0,0,0|2,0,0]=4 9018 B19R2.11834 Nc1ccc(cc1Cl)SCC(O)c2ccccc2 62a_100011218065_100000185958 [0,2,0,0,0,0|2,0,0]=4 9019 B19R2.11834 Nc1ccc(cc1Cl)SC[C@@H](O)c2ccccc2 62a_100011218065_100011933945 [0,2,0,0,0,0|2,0,0]=4 9020 B19R2.11834 Nc1ccc(cc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100011218065 [0,2,0,0,0,0|2,0,0]=4 9021 B19R2.11834 Nc1ccc(cc1F)OCC(O)c2ccccc2 34a_100000759473_100000185958 [0,2,0,0,0,0|2,0,0]=4 9022 B19R2.11834 Nc1ccc(cc1F)OCC(O)c2ccccc2 7a_100000759473_100000185958 [0,2,0,0,0,0|2,0,0]=4 9023 B19R2.11834 Nc1ccc(cc1F)OC[C@@H](O)c2ccccc2 34a_100000759473_100011933945 [0,2,0,0,0,0|2,0,0]=4 9024 B19R2.11834 Nc1ccc(cc1F)OC[C@@H](O)c2ccccc2 7a_100000759473_100011933945 [0,2,0,0,0,0|2,0,0]=4 9025 B19R2.11834 Nc1ccc(cc1F)SCC(O)c2ccccc2 62a_100000185958_100011215594 [0,2,0,0,0,0|2,0,0]=4 9026 B19R2.11834 Nc1ccc(cc1F)SCC(O)c2ccccc2 62a_100011215594_100000185958 [0,2,0,0,0,0|2,0,0]=4 9027 B19R2.11834 Nc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100011215594_100011933945 [0,2,0,0,0,0|2,0,0]=4 9028 B19R2.11834 Nc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215594 [0,2,0,0,0,0|2,0,0]=4 9029 B19R2.11834 Nc1ccc(cc1I)OCC(O)c2ccccc2 34a_100010084370_100000185958 [0,2,0,0,0,0|2,0,0]=4 9030 B19R2.11834 Nc1ccc(cc1I)OCC(O)c2ccccc2 7a_100010084370_100000185958 [0,2,0,0,0,0|2,0,0]=4 9031 B19R2.11834 Nc1ccc(cc1I)OC[C@@H](O)c2ccccc2 34a_100010084370_100011933945 [0,2,0,0,0,0|2,0,0]=4 9032 B19R2.11834 Nc1ccc(cc1I)OC[C@@H](O)c2ccccc2 7a_100010084370_100011933945 [0,2,0,0,0,0|2,0,0]=4 9033 B19R2.11834 Nc1ccc(cc1N)OCC(O)c2ccccc2 34a_100025771000_100000185958 [0,2,0,0,0,0|2,0,0]=4 9034 B19R2.11834 Nc1ccc(cc1N)OC[C@@H](O)c2ccccc2 34a_100025771000_100011933945 [0,2,0,0,0,0|2,0,0]=4 9035 B19R2.11834 Nc1ccc(cc1N)SCC(O)c2ccccc2 62a_100000185958_100011534411 [0,2,0,0,0,0|2,0,0]=4 9036 B19R2.11834 Nc1ccc(cc1N)SCC(O)c2ccccc2 62a_100000741789_100000185958 [0,2,0,0,0,0|2,0,0]=4 9037 B19R2.11834 Nc1ccc(cc1N)SC[C@@H](O)c2ccccc2 62a_100000741789_100011933945 [0,2,0,0,0,0|2,0,0]=4 9038 B19R2.11834 Nc1ccc(cc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100011534411 [0,2,0,0,0,0|2,0,0]=4 9039 B19R2.11834 Nc1ccc(cc1O)SCC(O)c2ccccc2 62a_100000185958_100000739049 [0,2,0,0,0,0|2,0,0]=4 9040 B19R2.11834 Nc1ccc(cc1O)SCC(O)c2ccccc2 62a_100000739049_100000185958 [0,2,0,0,0,0|2,0,0]=4 9041 B19R2.11834 Nc1ccc(cc1O)SC[C@@H](O)c2ccccc2 62a_100000739049_100011933945 [0,2,0,0,0,0|2,0,0]=4 9042 B19R2.11834 Nc1ccc(cc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000739049 [0,2,0,0,0,0|2,0,0]=4 9043 B19R2.11834 Nc1ccc(nc1Cl)SCC(O)c2ccccc2 62a_100000185958_200010233646 [0,2,0,0,0,0|1,0,0]=3 9044 B19R2.11834 Nc1ccc(nc1Cl)SCC(O)c2ccccc2 62a_200010233646_100000185958 [0,2,0,0,0,0|1,0,0]=3 9045 B19R2.11834 Nc1ccc(nc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_200010233646 [0,2,0,0,0,0|1,0,0]=3 9046 B19R2.11834 Nc1ccc(nc1Cl)SC[C@@H](O)c2ccccc2 62a_200010233646_100011933945 [0,2,0,0,0,0|1,0,0]=3 9047 B19R2.11834 Nc1ccc(nc1F)SCC(O)c2ccccc2 62a_100000185958_100009856439 [0,2,0,0,0,0|1,0,0]=3 9048 B19R2.11834 Nc1ccc(nc1F)SCC(O)c2ccccc2 62a_100009856439_100000185958 [0,2,0,0,0,0|1,0,0]=3 9049 B19R2.11834 Nc1ccc(nc1F)SC[C@@H](O)c2ccccc2 62a_100009856439_100011933945 [0,2,0,0,0,0|1,0,0]=3 9050 B19R2.11834 Nc1ccc(nc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009856439 [0,2,0,0,0,0|1,0,0]=3 9051 B19R2.11834 Nc1ccc(nc1N)SCC(O)c2ccccc2 62a_100000747239_100000185958 [0,2,0,0,0,0|1,0,0]=3 9052 B19R2.11834 Nc1ccc(nc1N)SC[C@@H](O)c2ccccc2 62a_100000747239_100011933945 [0,2,0,0,0,0|1,0,0]=3 9053 B19R2.11834 Nc1ccc(nc1O)SCC(O)c2ccccc2 62a_100000718904_100000185958 [0,2,0,0,0,0|1,0,0]=3 9054 B19R2.11834 Nc1ccc(nc1O)SC[C@@H](O)c2ccccc2 62a_100000718904_100011933945 [0,2,0,0,0,0|1,0,0]=3 9055 B19R2.11834 Nc1cnc(cc1N)SCC(O)c2ccccc2 62a_100000067514_100000185958 [0,2,0,0,0,0|1,0,0]=3 9056 B19R2.11834 Nc1cnc(cc1N)SCC(O)c2ccccc2 62a_100000185958_100000067514 [0,2,0,0,0,0|1,0,0]=3 9057 B19R2.11834 Nc1cnc(cc1N)SC[C@@H](O)c2ccccc2 62a_100000067514_100011933945 [0,2,0,0,0,0|1,0,0]=3 9058 B19R2.11834 Nc1cnc(cc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000067514 [0,2,0,0,0,0|1,0,0]=3 9059 B19R2.11834 Nc1cnc(nc1N)SCC(O)c2ccccc2 62a_100000185958_100011933915 [0,2,0,0,0,0|2,0,0]=4 9060 B19R2.11834 Nc1cnc(nc1N)SCC(O)c2ccccc2 62a_100011933915_100000185958 [0,2,0,0,0,0|2,0,0]=4 9061 B19R2.11834 Nc1cnc(nc1N)SC[C@@H](O)c2ccccc2 62a_100011933915_100011933945 [0,2,0,0,0,0|2,0,0]=4 9062 B19R2.11834 Nc1cnc(nc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100011933915 [0,2,0,0,0,0|2,0,0]=4 9063 B19R2.11834 Nc1nc(ccc1F)SCC(O)c2ccccc2 62a_100000185958_100016091773 [0,2,0,0,0,0|1,0,0]=3 9064 B19R2.11834 Nc1nc(ccc1F)SCC(O)c2ccccc2 62a_100016091773_100000185958 [0,2,0,0,0,0|1,0,0]=3 9065 B19R2.11834 Nc1nc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100016091773 [0,2,0,0,0,0|1,0,0]=3 9066 B19R2.11834 Nc1nc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100016091773_100011933945 [0,2,0,0,0,0|1,0,0]=3 9067 B19R2.11834 Nc1nc(ccc1O)SCC(O)c2ccccc2 62a_100000185958_100000685527 [0,2,0,0,0,0|1,0,0]=3 9068 B19R2.11834 Nc1nc(ccc1O)SCC(O)c2ccccc2 62a_100000685527_100000185958 [0,2,0,0,0,0|1,0,0]=3 9069 B19R2.11834 Nc1nc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100000685527_100011933945 [0,2,0,0,0,0|1,0,0]=3 9070 B19R2.11834 Nc1nc(ccc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000685527 [0,2,0,0,0,0|1,0,0]=3 9071 B19R2.11834 Nc1nc(ncc1F)NCC(O)c2ccccc2 27a_100000210709_100000185498 [0,2,0,0,0,0|1,0,0]=3 9072 B19R2.11834 Nc1nc(ncc1F)NCC(O)c2ccccn2 27a_100000691469_100000185498 [0,2,0,0,0,0|2,0,0]=4 9073 B19R2.11834 Nc1nc(ncc1F)NCC(O)c2cccnc2 27a_100020605170_100000185498 [0,2,0,0,0,0|2,0,0]=4 9074 B19R2.11834 Nc1nc(ncc1F)SCC(O)c2ccccc2 62a_100000185498_100000185958 [0,2,0,0,0,0|2,0,0]=4 9075 B19R2.11834 Nc1nc(ncc1F)SCC(O)c2ccccc2 62a_100000185958_100000185498 [0,2,0,0,0,0|2,0,0]=4 9076 B19R2.11834 Nc1nc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100000185498_100011933945 [0,2,0,0,0,0|2,0,0]=4 9077 B19R2.11834 Nc1nc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000185498 [0,2,0,0,0,0|2,0,0]=4 9078 B19R2.11834 Nc1ncc(nc1Br)SCC(O)c2ccccc2 62a_100000185958_100010982571 [0,2,0,0,0,0|2,0,0]=4 9079 B19R2.11834 Nc1ncc(nc1Br)SCC(O)c2ccccc2 62a_100010982571_100000185958 [0,2,0,0,0,0|2,0,0]=4 9080 B19R2.11834 Nc1ncc(nc1Br)SC[C@@H](O)c2ccccc2 62a_100010982571_100011933945 [0,2,0,0,0,0|2,0,0]=4 9081 B19R2.11834 Nc1ncc(nc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100010982571 [0,2,0,0,0,0|2,0,0]=4 9082 B19R2.11834 Nc1ncc(nc1Cl)SCC(O)c2ccccc2 62a_100000185958_100010733632 [0,2,0,0,0,0|2,0,0]=4 9083 B19R2.11834 Nc1ncc(nc1Cl)SCC(O)c2ccccc2 62a_100010733632_100000185958 [0,2,0,0,0,0|2,0,0]=4 9084 B19R2.11834 Nc1ncc(nc1Cl)SC[C@@H](O)c2ccccc2 62a_100010733632_100011933945 [0,2,0,0,0,0|2,0,0]=4 9085 B19R2.11834 Nc1ncc(nc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100010733632 [0,2,0,0,0,0|2,0,0]=4 9086 B19R2.11834 Nc1ncc(nc1N)SCC(O)c2ccccc2 62a_100000185958_100009816827 [0,2,0,0,0,0|2,0,0]=4 9087 B19R2.11834 Nc1ncc(nc1N)SCC(O)c2ccccc2 62a_100009816827_100000185958 [0,2,0,0,0,0|2,0,0]=4 9088 B19R2.11834 Nc1ncc(nc1N)SC[C@@H](O)c2ccccc2 62a_100009816827_100011933945 [0,2,0,0,0,0|2,0,0]=4 9089 B19R2.11834 Nc1ncc(nc1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100009816827 [0,2,0,0,0,0|2,0,0]=4 9090 B19R2.11834 OC(CNc1ccc(c(c1)Br)Br)c2ccccc2 2230a_100011306057_100000185958 [0,2,0,0,0,0|1,0,0]=3 9091 B19R2.11834 OC(CNc1ccc(c(c1)Br)Br)c2ccccc2 34a_100011306057_100000185958 [0,2,0,0,0,0|1,0,0]=3 9092 B19R2.11834 OC(CNc1ccc(c(c1)Br)Br)c2ccccc2 7a_100011306057_100000185958 [0,2,0,0,0,0|1,0,0]=3 9093 B19R2.11834 OC(CNc1ccc(c(c1)Br)Cl)c2ccccc2 2230a_100000686031_100000185958 [0,2,0,0,0,0|1,0,0]=3 9094 B19R2.11834 OC(CNc1ccc(c(c1)Br)Cl)c2ccccc2 34a_100000686031_100000185958 [0,2,0,0,0,0|1,0,0]=3 9095 B19R2.11834 OC(CNc1ccc(c(c1)Br)F)c2ccccc2 2230a_100000760356_100000185958 [0,2,0,0,0,0|1,0,0]=3 9096 B19R2.11834 OC(CNc1ccc(c(c1)Br)F)c2ccccc2 34a_100000760356_100000185958 [0,2,0,0,0,0|1,0,0]=3 9097 B19R2.11834 OC(CNc1ccc(c(c1)Br)F)c2ccccc2 7a_100000760356_100000185958 [0,2,0,0,0,0|1,0,0]=3 9098 B19R2.11834 OC(CNc1ccc(c(c1)Br)I)c2ccccc2 34a_100000750458_100000185958 [0,2,0,0,0,0|1,0,0]=3 9099 B19R2.11834 OC(CNc1ccc(c(c1)Cl)Br)c2ccccc2 2230a_100000687081_100000185958 [0,2,0,0,0,0|1,0,0]=3 9100 B19R2.11834 OC(CNc1ccc(c(c1)Cl)Br)c2ccccc2 34a_100000687081_100000185958 [0,2,0,0,0,0|1,0,0]=3 9101 B19R2.11834 OC(CNc1ccc(c(c1)Cl)Br)c2ccccc2 7a_100000687081_100000185958 [0,2,0,0,0,0|1,0,0]=3 9102 B19R2.11834 OC(CNc1ccc(c(c1)Cl)Cl)c2ccccc2 2230a_100000184108_100000185958 [0,2,0,0,0,0|1,0,0]=3 9103 B19R2.11834 OC(CNc1ccc(c(c1)Cl)Cl)c2ccccc2 34a_100000184108_100000185958 [0,2,0,0,0,0|1,0,0]=3 9104 B19R2.11834 OC(CNc1ccc(c(c1)Cl)F)c2ccccc2 2230a_100000211060_100000185958 [0,2,0,0,0,0|1,0,0]=3 9105 B19R2.11834 OC(CNc1ccc(c(c1)Cl)F)c2ccccc2 34a_100000211060_100000185958 [0,2,0,0,0,0|1,0,0]=3 9106 B19R2.11834 OC(CNc1ccc(c(c1)Cl)F)c2ccccc2 7a_100000211060_100000185958 [0,2,0,0,0,0|1,0,0]=3 9107 B19R2.11834 OC(CNc1ccc(c(c1)Cl)I)c2ccccc2 34a_100000761885_100000185958 [0,2,0,0,0,0|1,0,0]=3 9108 B19R2.11834 OC(CNc1ccc(c(c1)F)Br)c2ccccc2 2230a_100000759894_100000185958 [0,2,0,0,0,0|1,0,0]=3 9109 B19R2.11834 OC(CNc1ccc(c(c1)F)Br)c2ccccc2 34a_100000759894_100000185958 [0,2,0,0,0,0|1,0,0]=3 9110 B19R2.11834 OC(CNc1ccc(c(c1)F)Br)c2ccccc2 7a_100000759894_100000185958 [0,2,0,0,0,0|1,0,0]=3 9111 B19R2.11834 OC(CNc1ccc(c(c1)F)Cl)c2ccccc2 2230a_100000739366_100000185958 [0,2,0,0,0,0|1,0,0]=3 9112 B19R2.11834 OC(CNc1ccc(c(c1)F)Cl)c2ccccc2 34a_100000739366_100000185958 [0,2,0,0,0,0|1,0,0]=3 9113 B19R2.11834 OC(CNc1ccc(c(c1)F)Cl)c2ccccc2 7a_100000739366_100000185958 [0,2,0,0,0,0|1,0,0]=3 9114 B19R2.11834 OC(CNc1ccc(c(c1)F)F)c2ccccc2 2230a_100000210724_100000185958 [0,2,0,0,0,0|1,0,0]=3 9115 B19R2.11834 OC(CNc1ccc(c(c1)F)F)c2ccccc2 34a_100000210724_100000185958 [0,2,0,0,0,0|1,0,0]=3 9116 B19R2.11834 OC(CNc1ccc(c(c1)F)F)c2ccccc2 7a_100000210724_100000185958 [0,2,0,0,0,0|1,0,0]=3 9117 B19R2.11834 OC(CNc1ccc(c(c1)F)I)c2ccccc2 34a_100011356925_100000185958 [0,2,0,0,0,0|1,0,0]=3 9118 B19R2.11834 OC(CNc1ccc(c(c1)F)I)c2ccccc2 7a_100011356925_100000185958 [0,2,0,0,0,0|1,0,0]=3 9119 B19R2.11834 OC(CNc1ccc(c(c1)I)Br)c2ccccc2 34a_100000750459_100000185958 [0,2,0,0,0,0|1,0,0]=3 9120 B19R2.11834 OC(CNc1ccc(c(c1)I)Cl)c2ccccc2 34a_100012360549_100000185958 [0,2,0,0,0,0|1,0,0]=3 9121 B19R2.11834 OC(CNc1ccc(c(c1)I)F)c2ccccc2 34a_114828291077_100000185958 [0,2,0,0,0,0|1,0,0]=3 9122 B19R2.11834 OC(CNc1ccc(c(c1)I)F)c2ccccc2 7a_114828291077_100000185958 [0,2,0,0,0,0|1,0,0]=3 9123 B19R2.11834 OC(CNc1ccc(c(n1)F)Br)c2ccccc2 27a_100000210709_100010134343 [0,2,0,0,0,0|0,0,0]=2 9124 B19R2.11834 OC(CNc1ccc(c(n1)F)Br)c2ccccn2 27a_100000691469_100010134343 [0,2,0,0,0,0|1,0,0]=3 9125 B19R2.11834 OC(CNc1ccc(c(n1)F)Br)c2cccnc2 27a_100020605170_100010134343 [0,2,0,0,0,0|1,0,0]=3 9126 B19R2.11834 OC(COc1cc(c(cn1)Br)Cl)c2ccccc2 34a_100010369989_100000185958 [0,2,0,0,0,0|1,0,0]=3 9127 B19R2.11834 OC(COc1cc(c(cn1)Cl)Cl)c2ccccc2 34a_200000099200_100000185958 [0,2,0,0,0,0|1,0,0]=3 9128 B19R2.11834 OC(COc1ccc(c(c1)Br)Cl)c2ccccc2 34a_100011933957_100000185958 [0,2,0,0,0,0|2,0,0]=4 9129 B19R2.11834 OC(COc1ccc(c(c1)Br)Cl)c2ccccc2 7a_100011933957_100000185958 [0,2,0,0,0,0|2,0,0]=4 9130 B19R2.11834 OC(COc1ccc(c(c1)Br)F)c2ccccc2 34a_100000693481_100000185958 [0,2,0,0,0,0|2,0,0]=4 9131 B19R2.11834 OC(COc1ccc(c(c1)Br)F)c2ccccc2 7a_100000693481_100000185958 [0,2,0,0,0,0|2,0,0]=4 9132 B19R2.11834 OC(COc1ccc(c(c1)Br)I)c2ccccc2 34a_100000701344_100000185958 [0,2,0,0,0,0|2,0,0]=4 9133 B19R2.11834 OC(COc1ccc(c(c1)Br)I)c2ccccc2 7a_100000701344_100000185958 [0,2,0,0,0,0|2,0,0]=4 9134 B19R2.11834 OC(COc1ccc(c(c1)Cl)Br)c2ccccc2 34a_100011215161_100000185958 [0,2,0,0,0,0|2,0,0]=4 9135 B19R2.11834 OC(COc1ccc(c(c1)Cl)Br)c2ccccc2 7a_100011215161_100000185958 [0,2,0,0,0,0|2,0,0]=4 9136 B19R2.11834 OC(COc1ccc(c(c1)Cl)Cl)c2ccccc2 34a_100000211054_100000185958 [0,2,0,0,0,0|2,0,0]=4 9137 B19R2.11834 OC(COc1ccc(c(c1)Cl)Cl)c2ccccc2 7a_100000211054_100000185958 [0,2,0,0,0,0|2,0,0]=4 9138 B19R2.11834 OC(COc1ccc(c(c1)Cl)F)c2ccccc2 34a_100000211030_100000185958 [0,2,0,0,0,0|2,0,0]=4 9139 B19R2.11834 OC(COc1ccc(c(c1)Cl)F)c2ccccc2 7a_100000211030_100000185958 [0,2,0,0,0,0|2,0,0]=4 9140 B19R2.11834 OC(COc1ccc(c(c1)Cl)I)c2ccccc2 34a_100000047559_100000185958 [0,2,0,0,0,0|2,0,0]=4 9141 B19R2.11834 OC(COc1ccc(c(c1)Cl)I)c2ccccc2 7a_100000047559_100000185958 [0,2,0,0,0,0|2,0,0]=4 9142 B19R2.11834 OC(COc1ccc(c(c1)F)Br)c2ccccc2 34a_100000755031_100000185958 [0,2,0,0,0,0|2,0,0]=4 9143 B19R2.11834 OC(COc1ccc(c(c1)F)Br)c2ccccc2 7a_100000755031_100000185958 [0,2,0,0,0,0|2,0,0]=4 9144 B19R2.11834 OC(COc1ccc(c(c1)F)Cl)c2ccccc2 34a_100000691581_100000185958 [0,2,0,0,0,0|2,0,0]=4 9145 B19R2.11834 OC(COc1ccc(c(c1)F)Cl)c2ccccc2 7a_100000691581_100000185958 [0,2,0,0,0,0|2,0,0]=4 9146 B19R2.11834 OC(COc1ccc(c(c1)F)F)c2ccccc2 34a_100000181275_100000185958 [0,2,0,0,0,0|2,0,0]=4 9147 B19R2.11834 OC(COc1ccc(c(c1)F)F)c2ccccc2 7a_100000181275_100000185958 [0,2,0,0,0,0|2,0,0]=4 9148 B19R2.11834 OC(COc1ccc(c(c1)F)I)c2ccccc2 34a_100009990212_100000185958 [0,2,0,0,0,0|2,0,0]=4 9149 B19R2.11834 OC(COc1ccc(c(c1)F)I)c2ccccc2 7a_100009990212_100000185958 [0,2,0,0,0,0|2,0,0]=4 9150 B19R2.11834 OC(COc1ccc(c(c1)I)Br)c2ccccc2 34a_100012339312_100000185958 [0,2,0,0,0,0|2,0,0]=4 9151 B19R2.11834 OC(COc1ccc(c(c1)I)Br)c2ccccc2 7a_100012339312_100000185958 [0,2,0,0,0,0|2,0,0]=4 9152 B19R2.11834 OC(COc1ccc(c(c1)I)Cl)c2ccccc2 34a_100000049588_100000185958 [0,2,0,0,0,0|2,0,0]=4 9153 B19R2.11834 OC(COc1ccc(c(c1)I)Cl)c2ccccc2 7a_100000049588_100000185958 [0,2,0,0,0,0|2,0,0]=4 9154 B19R2.11834 OC(COc1ccc(c(n1)F)Br)c2ccccc2 34a_100009879308_100000185958 [0,2,0,0,0,0|1,0,0]=3 9155 B19R2.11834 OC(COc1cnc(c(n1)Cl)Br)c2ccccc2 34a_100010080449_100000185958 [0,2,0,0,0,0|2,0,0]=4 9156 B19R2.11834 OC(CSc1ccc(c(c1)Br)Cl)c2ccccc2 62a_100000185958_100012353702 [0,2,0,0,0,0|2,0,0]=4 9157 B19R2.11834 OC(CSc1ccc(c(c1)Br)Cl)c2ccccc2 62a_100012353702_100000185958 [0,2,0,0,0,0|2,0,0]=4 9158 B19R2.11834 OC(CSc1ccc(c(c1)Br)F)c2ccccc2 62a_100000185958_100012047266 [0,2,0,0,0,0|2,0,0]=4 9159 B19R2.11834 OC(CSc1ccc(c(c1)Br)F)c2ccccc2 62a_100012047266_100000185958 [0,2,0,0,0,0|2,0,0]=4 9160 B19R2.11834 OC(CSc1ccc(c(c1)Cl)Br)c2ccccc2 62a_100000185958_100012047281 [0,2,0,0,0,0|2,0,0]=4 9161 B19R2.11834 OC(CSc1ccc(c(c1)Cl)Br)c2ccccc2 62a_100012047281_100000185958 [0,2,0,0,0,0|2,0,0]=4 9162 B19R2.11834 OC(CSc1ccc(c(c1)Cl)Cl)c2ccccc2 62a_100000185958_100011214914 [0,2,0,0,0,0|2,0,0]=4 9163 B19R2.11834 OC(CSc1ccc(c(c1)Cl)Cl)c2ccccc2 62a_100011214914_100000185958 [0,2,0,0,0,0|2,0,0]=4 9164 B19R2.11834 OC(CSc1ccc(c(c1)Cl)F)c2ccccc2 62a_100000185958_100011215976 [0,2,0,0,0,0|2,0,0]=4 9165 B19R2.11834 OC(CSc1ccc(c(c1)Cl)F)c2ccccc2 62a_100011215976_100000185958 [0,2,0,0,0,0|2,0,0]=4 9166 B19R2.11834 OC(CSc1ccc(c(c1)F)Br)c2ccccc2 62a_100000185958_100000685389 [0,2,0,0,0,0|2,0,0]=4 9167 B19R2.11834 OC(CSc1ccc(c(c1)F)Br)c2ccccc2 62a_100000685389_100000185958 [0,2,0,0,0,0|2,0,0]=4 9168 B19R2.11834 OC(CSc1ccc(c(c1)F)Cl)c2ccccc2 62a_100000185958_100011216805 [0,2,0,0,0,0|2,0,0]=4 9169 B19R2.11834 OC(CSc1ccc(c(c1)F)Cl)c2ccccc2 62a_100011216805_100000185958 [0,2,0,0,0,0|2,0,0]=4 9170 B19R2.11834 OC(CSc1ccc(c(c1)F)F)c2ccccc2 62a_100000185958_100000703953 [0,2,0,0,0,0|2,0,0]=4 9171 B19R2.11834 OC(CSc1ccc(c(c1)F)F)c2ccccc2 62a_100000703953_100000185958 [0,2,0,0,0,0|2,0,0]=4 9172 B19R2.11834 OC(CSc1ccc(c(n1)F)Br)c2ccccc2 62a_100000185958_100010134343 [0,2,0,0,0,0|1,0,0]=3 9173 B19R2.11834 OC(CSc1ccc(c(n1)F)Br)c2ccccc2 62a_100010134343_100000185958 [0,2,0,0,0,0|1,0,0]=3 9174 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)Br)c2ccccc2 2230a_100011306057_100011933945 [0,2,0,0,0,0|1,0,0]=3 9175 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)Br)c2ccccc2 34a_100011306057_100011933945 [0,2,0,0,0,0|1,0,0]=3 9176 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)Br)c2ccccc2 7a_100011306057_100011933945 [0,2,0,0,0,0|1,0,0]=3 9177 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)Cl)c2ccccc2 2230a_100000686031_100011933945 [0,2,0,0,0,0|1,0,0]=3 9178 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)Cl)c2ccccc2 34a_100000686031_100011933945 [0,2,0,0,0,0|1,0,0]=3 9179 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)F)c2ccccc2 2230a_100000760356_100011933945 [0,2,0,0,0,0|1,0,0]=3 9180 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)F)c2ccccc2 34a_100000760356_100011933945 [0,2,0,0,0,0|1,0,0]=3 9181 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)F)c2ccccc2 7a_100000760356_100011933945 [0,2,0,0,0,0|1,0,0]=3 9182 B19R2.11834 O[C@H](CNc1ccc(c(c1)Br)I)c2ccccc2 34a_100000750458_100011933945 [0,2,0,0,0,0|1,0,0]=3 9183 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)Br)c2ccccc2 2230a_100000687081_100011933945 [0,2,0,0,0,0|1,0,0]=3 9184 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)Br)c2ccccc2 34a_100000687081_100011933945 [0,2,0,0,0,0|1,0,0]=3 9185 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)Br)c2ccccc2 7a_100000687081_100011933945 [0,2,0,0,0,0|1,0,0]=3 9186 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)Cl)c2ccccc2 2230a_100000184108_100011933945 [0,2,0,0,0,0|1,0,0]=3 9187 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)Cl)c2ccccc2 34a_100000184108_100011933945 [0,2,0,0,0,0|1,0,0]=3 9188 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)F)c2ccccc2 2230a_100000211060_100011933945 [0,2,0,0,0,0|1,0,0]=3 9189 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)F)c2ccccc2 34a_100000211060_100011933945 [0,2,0,0,0,0|1,0,0]=3 9190 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)F)c2ccccc2 7a_100000211060_100011933945 [0,2,0,0,0,0|1,0,0]=3 9191 B19R2.11834 O[C@H](CNc1ccc(c(c1)Cl)I)c2ccccc2 34a_100000761885_100011933945 [0,2,0,0,0,0|1,0,0]=3 9192 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)Br)c2ccccc2 2230a_100000759894_100011933945 [0,2,0,0,0,0|1,0,0]=3 9193 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)Br)c2ccccc2 34a_100000759894_100011933945 [0,2,0,0,0,0|1,0,0]=3 9194 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)Br)c2ccccc2 7a_100000759894_100011933945 [0,2,0,0,0,0|1,0,0]=3 9195 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)Cl)c2ccccc2 2230a_100000739366_100011933945 [0,2,0,0,0,0|1,0,0]=3 9196 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)Cl)c2ccccc2 34a_100000739366_100011933945 [0,2,0,0,0,0|1,0,0]=3 9197 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)Cl)c2ccccc2 7a_100000739366_100011933945 [0,2,0,0,0,0|1,0,0]=3 9198 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)F)c2ccccc2 2230a_100000210724_100011933945 [0,2,0,0,0,0|1,0,0]=3 9199 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)F)c2ccccc2 34a_100000210724_100011933945 [0,2,0,0,0,0|1,0,0]=3 9200 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)F)c2ccccc2 7a_100000210724_100011933945 [0,2,0,0,0,0|1,0,0]=3 9201 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)I)c2ccccc2 34a_100011356925_100011933945 [0,2,0,0,0,0|1,0,0]=3 9202 B19R2.11834 O[C@H](CNc1ccc(c(c1)F)I)c2ccccc2 7a_100011356925_100011933945 [0,2,0,0,0,0|1,0,0]=3 9203 B19R2.11834 O[C@H](CNc1ccc(c(c1)I)Br)c2ccccc2 34a_100000750459_100011933945 [0,2,0,0,0,0|1,0,0]=3 9204 B19R2.11834 O[C@H](CNc1ccc(c(c1)I)Cl)c2ccccc2 34a_100012360549_100011933945 [0,2,0,0,0,0|1,0,0]=3 9205 B19R2.11834 O[C@H](CNc1ccc(c(c1)I)F)c2ccccc2 34a_114828291077_100011933945 [0,2,0,0,0,0|1,0,0]=3 9206 B19R2.11834 O[C@H](CNc1ccc(c(c1)I)F)c2ccccc2 7a_114828291077_100011933945 [0,2,0,0,0,0|1,0,0]=3 9207 B19R2.11834 O[C@H](COc1cc(c(cn1)Br)Cl)c2ccccc2 34a_100010369989_100011933945 [0,2,0,0,0,0|1,0,0]=3 9208 B19R2.11834 O[C@H](COc1cc(c(cn1)Cl)Cl)c2ccccc2 34a_200000099200_100011933945 [0,2,0,0,0,0|1,0,0]=3 9209 B19R2.11834 O[C@H](COc1ccc(c(c1)Br)Cl)c2ccccc2 34a_100011933957_100011933945 [0,2,0,0,0,0|2,0,0]=4 9210 B19R2.11834 O[C@H](COc1ccc(c(c1)Br)Cl)c2ccccc2 7a_100011933957_100011933945 [0,2,0,0,0,0|2,0,0]=4 9211 B19R2.11834 O[C@H](COc1ccc(c(c1)Br)F)c2ccccc2 34a_100000693481_100011933945 [0,2,0,0,0,0|2,0,0]=4 9212 B19R2.11834 O[C@H](COc1ccc(c(c1)Br)F)c2ccccc2 7a_100000693481_100011933945 [0,2,0,0,0,0|2,0,0]=4 9213 B19R2.11834 O[C@H](COc1ccc(c(c1)Br)I)c2ccccc2 34a_100000701344_100011933945 [0,2,0,0,0,0|2,0,0]=4 9214 B19R2.11834 O[C@H](COc1ccc(c(c1)Br)I)c2ccccc2 7a_100000701344_100011933945 [0,2,0,0,0,0|2,0,0]=4 9215 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)Br)c2ccccc2 34a_100011215161_100011933945 [0,2,0,0,0,0|2,0,0]=4 9216 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)Br)c2ccccc2 7a_100011215161_100011933945 [0,2,0,0,0,0|2,0,0]=4 9217 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)Cl)c2ccccc2 34a_100000211054_100011933945 [0,2,0,0,0,0|2,0,0]=4 9218 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)Cl)c2ccccc2 7a_100000211054_100011933945 [0,2,0,0,0,0|2,0,0]=4 9219 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)F)c2ccccc2 34a_100000211030_100011933945 [0,2,0,0,0,0|2,0,0]=4 9220 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)F)c2ccccc2 7a_100000211030_100011933945 [0,2,0,0,0,0|2,0,0]=4 9221 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)I)c2ccccc2 34a_100000047559_100011933945 [0,2,0,0,0,0|2,0,0]=4 9222 B19R2.11834 O[C@H](COc1ccc(c(c1)Cl)I)c2ccccc2 7a_100000047559_100011933945 [0,2,0,0,0,0|2,0,0]=4 9223 B19R2.11834 O[C@H](COc1ccc(c(c1)F)Br)c2ccccc2 34a_100000755031_100011933945 [0,2,0,0,0,0|2,0,0]=4 9224 B19R2.11834 O[C@H](COc1ccc(c(c1)F)Br)c2ccccc2 7a_100000755031_100011933945 [0,2,0,0,0,0|2,0,0]=4 9225 B19R2.11834 O[C@H](COc1ccc(c(c1)F)Cl)c2ccccc2 34a_100000691581_100011933945 [0,2,0,0,0,0|2,0,0]=4 9226 B19R2.11834 O[C@H](COc1ccc(c(c1)F)Cl)c2ccccc2 7a_100000691581_100011933945 [0,2,0,0,0,0|2,0,0]=4 9227 B19R2.11834 O[C@H](COc1ccc(c(c1)F)F)c2ccccc2 34a_100000181275_100011933945 [0,2,0,0,0,0|2,0,0]=4 9228 B19R2.11834 O[C@H](COc1ccc(c(c1)F)F)c2ccccc2 7a_100000181275_100011933945 [0,2,0,0,0,0|2,0,0]=4 9229 B19R2.11834 O[C@H](COc1ccc(c(c1)F)I)c2ccccc2 34a_100009990212_100011933945 [0,2,0,0,0,0|2,0,0]=4 9230 B19R2.11834 O[C@H](COc1ccc(c(c1)F)I)c2ccccc2 7a_100009990212_100011933945 [0,2,0,0,0,0|2,0,0]=4 9231 B19R2.11834 O[C@H](COc1ccc(c(c1)I)Br)c2ccccc2 34a_100012339312_100011933945 [0,2,0,0,0,0|2,0,0]=4 9232 B19R2.11834 O[C@H](COc1ccc(c(c1)I)Br)c2ccccc2 7a_100012339312_100011933945 [0,2,0,0,0,0|2,0,0]=4 9233 B19R2.11834 O[C@H](COc1ccc(c(c1)I)Cl)c2ccccc2 34a_100000049588_100011933945 [0,2,0,0,0,0|2,0,0]=4 9234 B19R2.11834 O[C@H](COc1ccc(c(c1)I)Cl)c2ccccc2 7a_100000049588_100011933945 [0,2,0,0,0,0|2,0,0]=4 9235 B19R2.11834 O[C@H](COc1ccc(c(n1)F)Br)c2ccccc2 34a_100009879308_100011933945 [0,2,0,0,0,0|1,0,0]=3 9236 B19R2.11834 O[C@H](COc1cnc(c(n1)Cl)Br)c2ccccc2 34a_100010080449_100011933945 [0,2,0,0,0,0|2,0,0]=4 9237 B19R2.11834 O[C@H](CSc1ccc(c(c1)Br)Cl)c2ccccc2 62a_100011933945_100012353702 [0,2,0,0,0,0|2,0,0]=4 9238 B19R2.11834 O[C@H](CSc1ccc(c(c1)Br)Cl)c2ccccc2 62a_100012353702_100011933945 [0,2,0,0,0,0|2,0,0]=4 9239 B19R2.11834 O[C@H](CSc1ccc(c(c1)Br)F)c2ccccc2 62a_100011933945_100012047266 [0,2,0,0,0,0|2,0,0]=4 9240 B19R2.11834 O[C@H](CSc1ccc(c(c1)Br)F)c2ccccc2 62a_100012047266_100011933945 [0,2,0,0,0,0|2,0,0]=4 9241 B19R2.11834 O[C@H](CSc1ccc(c(c1)Cl)Br)c2ccccc2 62a_100011933945_100012047281 [0,2,0,0,0,0|2,0,0]=4 9242 B19R2.11834 O[C@H](CSc1ccc(c(c1)Cl)Br)c2ccccc2 62a_100012047281_100011933945 [0,2,0,0,0,0|2,0,0]=4 9243 B19R2.11834 O[C@H](CSc1ccc(c(c1)Cl)Cl)c2ccccc2 62a_100011214914_100011933945 [0,2,0,0,0,0|2,0,0]=4 9244 B19R2.11834 O[C@H](CSc1ccc(c(c1)Cl)Cl)c2ccccc2 62a_100011933945_100011214914 [0,2,0,0,0,0|2,0,0]=4 9245 B19R2.11834 O[C@H](CSc1ccc(c(c1)Cl)F)c2ccccc2 62a_100011215976_100011933945 [0,2,0,0,0,0|2,0,0]=4 9246 B19R2.11834 O[C@H](CSc1ccc(c(c1)Cl)F)c2ccccc2 62a_100011933945_100011215976 [0,2,0,0,0,0|2,0,0]=4 9247 B19R2.11834 O[C@H](CSc1ccc(c(c1)F)Br)c2ccccc2 62a_100000685389_100011933945 [0,2,0,0,0,0|2,0,0]=4 9248 B19R2.11834 O[C@H](CSc1ccc(c(c1)F)Br)c2ccccc2 62a_100011933945_100000685389 [0,2,0,0,0,0|2,0,0]=4 9249 B19R2.11834 O[C@H](CSc1ccc(c(c1)F)Cl)c2ccccc2 62a_100011216805_100011933945 [0,2,0,0,0,0|2,0,0]=4 9250 B19R2.11834 O[C@H](CSc1ccc(c(c1)F)Cl)c2ccccc2 62a_100011933945_100011216805 [0,2,0,0,0,0|2,0,0]=4 9251 B19R2.11834 O[C@H](CSc1ccc(c(c1)F)F)c2ccccc2 62a_100000703953_100011933945 [0,2,0,0,0,0|2,0,0]=4 9252 B19R2.11834 O[C@H](CSc1ccc(c(c1)F)F)c2ccccc2 62a_100011933945_100000703953 [0,2,0,0,0,0|2,0,0]=4 9253 B19R2.11834 O[C@H](CSc1ccc(c(n1)F)Br)c2ccccc2 62a_100010134343_100011933945 [0,2,0,0,0,0|1,0,0]=3 9254 B19R2.11834 O[C@H](CSc1ccc(c(n1)F)Br)c2ccccc2 62a_100011933945_100010134343 [0,2,0,0,0,0|1,0,0]=3 9255 B19R2.11834 Oc1cc(ccc1Br)SCC(O)c2ccccc2 62a_100000185958_100012356990 [0,2,0,0,0,0|2,0,0]=4 9256 B19R2.11834 Oc1cc(ccc1Br)SCC(O)c2ccccc2 62a_100012356990_100000185958 [0,2,0,0,0,0|2,0,0]=4 9257 B19R2.11834 Oc1cc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100012356990 [0,2,0,0,0,0|2,0,0]=4 9258 B19R2.11834 Oc1cc(ccc1Br)SC[C@@H](O)c2ccccc2 62a_100012356990_100011933945 [0,2,0,0,0,0|2,0,0]=4 9259 B19R2.11834 Oc1cc(ccc1Cl)NCC(O)c2ccccc2 34a_100011934209_100000185958 [0,2,0,0,0,0|1,0,0]=3 9260 B19R2.11834 Oc1cc(ccc1Cl)NC[C@@H](O)c2ccccc2 34a_100011934209_100011933945 [0,2,0,0,0,0|1,0,0]=3 9261 B19R2.11834 Oc1cc(ccc1Cl)SCC(O)c2ccccc2 62a_100000185958_100011356854 [0,2,0,0,0,0|2,0,0]=4 9262 B19R2.11834 Oc1cc(ccc1Cl)SCC(O)c2ccccc2 62a_100011356854_100000185958 [0,2,0,0,0,0|2,0,0]=4 9263 B19R2.11834 Oc1cc(ccc1Cl)SC[C@@H](O)c2ccccc2 62a_100011356854_100011933945 [0,2,0,0,0,0|2,0,0]=4 9264 B19R2.11834 Oc1cc(ccc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100011356854 [0,2,0,0,0,0|2,0,0]=4 9265 B19R2.11834 Oc1cc(ccc1F)NCC(O)c2ccccc2 34a_100012017398_100000185958 [0,2,0,0,0,0|1,0,0]=3 9266 B19R2.11834 Oc1cc(ccc1F)NCC(O)c2ccccc2 7a_100012017398_100000185958 [0,2,0,0,0,0|1,0,0]=3 9267 B19R2.11834 Oc1cc(ccc1F)NC[C@@H](O)c2ccccc2 34a_100012017398_100011933945 [0,2,0,0,0,0|1,0,0]=3 9268 B19R2.11834 Oc1cc(ccc1F)NC[C@@H](O)c2ccccc2 7a_100012017398_100011933945 [0,2,0,0,0,0|1,0,0]=3 9269 B19R2.11834 Oc1cc(ccc1F)SCC(O)c2ccccc2 62a_100000185958_100000686035 [0,2,0,0,0,0|2,0,0]=4 9270 B19R2.11834 Oc1cc(ccc1F)SCC(O)c2ccccc2 62a_100000686035_100000185958 [0,2,0,0,0,0|2,0,0]=4 9271 B19R2.11834 Oc1cc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100000686035_100011933945 [0,2,0,0,0,0|2,0,0]=4 9272 B19R2.11834 Oc1cc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000686035 [0,2,0,0,0,0|2,0,0]=4 9273 B19R2.11834 Oc1cc(ncc1F)SCC(O)c2ccccc2 62a_100000185958_100009854642 [0,2,0,0,0,0|1,0,0]=3 9274 B19R2.11834 Oc1cc(ncc1F)SCC(O)c2ccccc2 62a_100009854642_100000185958 [0,2,0,0,0,0|1,0,0]=3 9275 B19R2.11834 Oc1cc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100009854642_100011933945 [0,2,0,0,0,0|1,0,0]=3 9276 B19R2.11834 Oc1cc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009854642 [0,2,0,0,0,0|1,0,0]=3 9277 B19R2.11834 Oc1ccc(cc1Br)NCC(O)c2ccccc2 34a_100011534360_100000185958 [0,2,0,0,0,0|1,0,0]=3 9278 B19R2.11834 Oc1ccc(cc1Br)NC[C@@H](O)c2ccccc2 34a_100011534360_100011933945 [0,2,0,0,0,0|1,0,0]=3 9279 B19R2.11834 Oc1ccc(cc1Br)SCC(O)c2ccccc2 62a_100000185958_100012361655 [0,2,0,0,0,0|2,0,0]=4 9280 B19R2.11834 Oc1ccc(cc1Br)SCC(O)c2ccccc2 62a_100012361655_100000185958 [0,2,0,0,0,0|2,0,0]=4 9281 B19R2.11834 Oc1ccc(cc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100012361655 [0,2,0,0,0,0|2,0,0]=4 9282 B19R2.11834 Oc1ccc(cc1Br)SC[C@@H](O)c2ccccc2 62a_100012361655_100011933945 [0,2,0,0,0,0|2,0,0]=4 9283 B19R2.11834 Oc1ccc(cc1Cl)NCC(O)c2ccccc2 34a_100000744943_100000185958 [0,2,0,0,0,0|1,0,0]=3 9284 B19R2.11834 Oc1ccc(cc1Cl)NC[C@@H](O)c2ccccc2 34a_100000744943_100011933945 [0,2,0,0,0,0|1,0,0]=3 9285 B19R2.11834 Oc1ccc(cc1Cl)SCC(O)c2ccccc2 62a_100000185958_100012360047 [0,2,0,0,0,0|2,0,0]=4 9286 B19R2.11834 Oc1ccc(cc1Cl)SCC(O)c2ccccc2 62a_100012360047_100000185958 [0,2,0,0,0,0|2,0,0]=4 9287 B19R2.11834 Oc1ccc(cc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100012360047 [0,2,0,0,0,0|2,0,0]=4 9288 B19R2.11834 Oc1ccc(cc1Cl)SC[C@@H](O)c2ccccc2 62a_100012360047_100011933945 [0,2,0,0,0,0|2,0,0]=4 9289 B19R2.11834 Oc1ccc(cc1F)NCC(O)c2ccccc2 34a_100011220035_100000185958 [0,2,0,0,0,0|1,0,0]=3 9290 B19R2.11834 Oc1ccc(cc1F)NCC(O)c2ccccc2 7a_100011220035_100000185958 [0,2,0,0,0,0|1,0,0]=3 9291 B19R2.11834 Oc1ccc(cc1F)NC[C@@H](O)c2ccccc2 34a_100011220035_100011933945 [0,2,0,0,0,0|1,0,0]=3 9292 B19R2.11834 Oc1ccc(cc1F)NC[C@@H](O)c2ccccc2 7a_100011220035_100011933945 [0,2,0,0,0,0|1,0,0]=3 9293 B19R2.11834 Oc1ccc(cc1F)SCC(O)c2ccccc2 62a_100000185481_100000185958 [0,2,0,0,0,0|2,0,0]=4 9294 B19R2.11834 Oc1ccc(cc1F)SCC(O)c2ccccc2 62a_100000185958_100000185481 [0,2,0,0,0,0|2,0,0]=4 9295 B19R2.11834 Oc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100000185481_100011933945 [0,2,0,0,0,0|2,0,0]=4 9296 B19R2.11834 Oc1ccc(cc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000185481 [0,2,0,0,0,0|2,0,0]=4 9297 B19R2.11834 Oc1ccc(cc1O)NCC(O)c2ccccc2 34a_100102946323_100000185958 [0,2,0,0,0,0|1,0,0]=3 9298 B19R2.11834 Oc1ccc(cc1O)NC[C@@H](O)c2ccccc2 34a_100102946323_100011933945 [0,2,0,0,0,0|1,0,0]=3 9299 B19R2.11834 Oc1ccc(cc1O)SCC(O)c2ccccc2 62a_100000185958_100009813601 [0,2,0,0,0,0|2,0,0]=4 9300 B19R2.11834 Oc1ccc(cc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009813601 [0,2,0,0,0,0|2,0,0]=4 9301 B19R2.11834 Oc1ccc(nc1Br)SCC(O)c2ccccc2 62a_100000185958_100000725334 [0,2,0,0,0,0|1,0,0]=3 9302 B19R2.11834 Oc1ccc(nc1Br)SCC(O)c2ccccc2 62a_100000725334_100000185958 [0,2,0,0,0,0|1,0,0]=3 9303 B19R2.11834 Oc1ccc(nc1Br)SC[C@@H](O)c2ccccc2 62a_100000725334_100011933945 [0,2,0,0,0,0|1,0,0]=3 9304 B19R2.11834 Oc1ccc(nc1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100000725334 [0,2,0,0,0,0|1,0,0]=3 9305 B19R2.11834 Oc1ccc(nc1Cl)SCC(O)c2ccccc2 62a_100000185958_100000721234 [0,2,0,0,0,0|1,0,0]=3 9306 B19R2.11834 Oc1ccc(nc1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100000721234 [0,2,0,0,0,0|1,0,0]=3 9307 B19R2.11834 Oc1ccc(nc1F)SCC(O)c2ccccc2 62a_100000185958_100009819667 [0,2,0,0,0,0|1,0,0]=3 9308 B19R2.11834 Oc1ccc(nc1F)SCC(O)c2ccccc2 62a_100009819667_100000185958 [0,2,0,0,0,0|1,0,0]=3 9309 B19R2.11834 Oc1ccc(nc1F)SC[C@@H](O)c2ccccc2 62a_100009819667_100011933945 [0,2,0,0,0,0|1,0,0]=3 9310 B19R2.11834 Oc1ccc(nc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009819667 [0,2,0,0,0,0|1,0,0]=3 9311 B19R2.11834 Oc1nc(ccc1F)SCC(O)c2ccccc2 62a_100000185958_100010729010 [0,2,0,0,0,0|1,0,0]=3 9312 B19R2.11834 Oc1nc(ccc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100010729010 [0,2,0,0,0,0|1,0,0]=3 9313 B19R2.11834 Oc1nc(ncc1F)NCC(O)c2ccccc2 27a_100000210709_100011995740 [0,2,0,0,0,0|1,0,0]=3 9314 B19R2.11834 Oc1nc(ncc1F)NCC(O)c2ccccn2 27a_100000691469_100011995740 [0,2,0,0,0,0|2,0,0]=4 9315 B19R2.11834 Oc1nc(ncc1F)NCC(O)c2cccnc2 27a_100020605170_100011995740 [0,2,0,0,0,0|2,0,0]=4 9316 B19R2.11834 Oc1nc(ncc1F)SCC(O)c2ccccc2 62a_100000185958_100011995740 [0,2,0,0,0,0|2,0,0]=4 9317 B19R2.11834 Oc1nc(ncc1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011995740 [0,2,0,0,0,0|2,0,0]=4 9318 B19R2.11845 CC(C)(CNc1ccc(cn1)Br)c2ccccc2 27a_100011211644_100000686858 [0,2,0,0,0,0|1,0,0]=3 9319 B19R2.11845 CC(C)(CNc1cnc(cn1)Br)c2ccccc2 27a_100011211644_100010187541 [0,2,0,0,0,0|2,0,0]=4 9320 B19R2.11845 CC(C)(CNc1cnc(cn1)F)c2ccccc2 27a_100011211644_100009856528 [0,2,0,0,0,0|2,0,0]=4 9321 B19R2.11845 CC(C)(CNc1ncc(cn1)Br)c2ccccc2 27a_100011211644_100000690281 [0,2,0,0,0,0|2,0,0]=4 9322 B19R2.11845 CC(C)(CNc1ncc(cn1)Cl)c2ccccc2 27a_100011211644_100011356929 [0,2,0,0,0,0|2,0,0]=4 9323 B19R2.11845 CC(C)(CNc1ncc(cn1)F)c2ccccc2 27a_100011211644_100000685220 [0,2,0,0,0,0|2,0,0]=4 9324 B19R2.11845 CC(C)(CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000703224 [0,2,0,0,0,0|2,0,0]=4 9325 B19R2.11845 CC(C)(CSc1ccc(cn1)Br)c2ccccc2 62a_100000703224_100000686858 [0,2,0,0,0,0|2,0,0]=4 9326 B19R2.11845 CC(C)(CSc1ccc(cn1)Cl)c2ccccc2 62a_100000703224_100011356976 [0,2,0,0,0,0|2,0,0]=4 9327 B19R2.11845 CC(C)(CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000703224 [0,2,0,0,0,0|2,0,0]=4 9328 B19R2.11845 CC(C)(CSc1ccc(cn1)F)c2ccccc2 62a_100000703224_100000744514 [0,2,0,0,0,0|2,0,0]=4 9329 B19R2.11845 CC(C)(CSc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000703224 [0,2,0,0,0,0|2,0,0]=4 9330 B19R2.11845 CC(C)(CSc1ccc(cn1)N)c2ccccc2 62a_100000703224_100000737798 [0,2,0,0,0,0|2,0,0]=4 9331 B19R2.11845 CC(C)(CSc1ccc(cn1)N)c2ccccc2 62a_100000737798_100000703224 [0,2,0,0,0,0|2,0,0]=4 9332 B19R2.11845 CC(C)(CSc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000703224 [0,2,0,0,0,0|2,0,0]=4 9333 B19R2.11845 CC(C)(CSc1ccc(cn1)O)c2ccccc2 62a_100000703224_100000744096 [0,2,0,0,0,0|2,0,0]=4 9334 B19R2.11845 CC(O)(CNc1ccc(cn1)Br)c2ccccc2 27a_100011660926_100000686858 [0,2,0,0,0,0|0,0,0]=2 9335 B19R2.11845 CC(O)(CNc1cnc(cn1)Br)c2ccccc2 27a_100011660926_100010187541 [0,2,0,0,0,0|1,0,0]=3 9336 B19R2.11845 CC(O)(CNc1cnc(cn1)F)c2ccccc2 27a_100011660926_100009856528 [0,2,0,0,0,0|1,0,0]=3 9337 B19R2.11845 CC(O)(CNc1cnc(nn1)N)c2ccccc2 27a_100011660926_100000691435 [0,2,0,0,0,0|2,0,0]=4 9338 B19R2.11845 CC(O)(CNc1ncc(cn1)Br)c2ccccc2 27a_100011660926_100000690281 [0,2,0,0,0,0|1,0,0]=3 9339 B19R2.11845 CC(O)(CNc1ncc(cn1)Cl)c2ccccc2 27a_100011660926_100011356929 [0,2,0,0,0,0|1,0,0]=3 9340 B19R2.11845 CC(O)(CNc1ncc(cn1)F)c2ccccc2 27a_100011660926_100000685220 [0,2,0,0,0,0|1,0,0]=3 9341 B19R2.11845 Cc1ccc(cc1)NCC(F)(F)c2ccccc2 34a_100000124888_100009875531 [0,2,0,0,0,0|2,0,0]=4 9342 B19R2.11845 Cc1ccc(nc1)OCC(F)(F)c2ccccc2 34a_100000759353_100009875531 [0,2,0,0,0,0|2,0,0]=4 9343 B19R2.11845 Cc1ccc(nc1)SCC(C)(C)c2ccccc2 62a_100000703224_100000754016 [0,2,0,0,0,0|2,0,0]=4 9344 B19R2.11845 Cc1ccc(nc1)SCC(C)(C)c2ccccc2 62a_100011192072_100000703224 [0,2,0,0,0,0|2,0,0]=4 9345 B19R2.11845 Cc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100009875531_100000754016 [0,2,0,0,0,0|2,0,0]=4 9346 B19R2.11845 Cc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100011192072_100009875531 [0,2,0,0,0,0|2,0,0]=4 9347 B19R2.11845 Cc1ccc(nn1)NCC(C)(C)c2ccccc2 27a_100011211644_100000744512 [0,2,0,0,0,0|2,0,0]=4 9348 B19R2.11845 Cc1ccc(nn1)NCC(C)(O)c2ccccc2 27a_100011660926_100000744512 [0,2,0,0,0,0|1,0,0]=3 9349 B19R2.11845 Cc1ccc(nn1)NCC(F)(F)c2ccccc2 27a_100000717977_100000744512 [0,2,0,0,0,0|2,0,0]=4 9350 B19R2.11845 Cc1cnc(cn1)NCC(C)(C)c2ccccc2 27a_100011211644_100000074397 [0,2,0,0,0,0|2,0,0]=4 9351 B19R2.11845 Cc1cnc(cn1)NCC(C)(O)c2ccccc2 27a_100011660926_100000074397 [0,2,0,0,0,0|1,0,0]=3 9352 B19R2.11845 Cc1cnc(cn1)NCC(F)(F)c2ccccc2 27a_100000717977_100000074397 [0,2,0,0,0,0|2,0,0]=4 9353 B19R2.11845 Cc1cnc(nc1)NCC(C)(C)c2ccccc2 27a_100011211644_100000061069 [0,2,0,0,0,0|2,0,0]=4 9354 B19R2.11845 Cc1cnc(nc1)NCC(C)(O)c2ccccc2 27a_100011660926_100000061069 [0,2,0,0,0,0|1,0,0]=3 9355 B19R2.11845 Cc1cnc(nc1)NCC(F)(F)c2ccccc2 27a_100000717977_100000061069 [0,2,0,0,0,0|2,0,0]=4 9356 B19R2.11845 FC(F)(CNc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100009875531 [0,2,0,0,0,0|2,0,0]=4 9357 B19R2.11845 FC(F)(CNc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100009875531 [0,2,0,0,0,0|2,0,0]=4 9358 B19R2.11845 FC(F)(CNc1ccc(cc1)I)c2ccccc2 34a_100000185761_100009875531 [0,2,0,0,0,0|2,0,0]=4 9359 B19R2.11845 FC(F)(CNc1ccc(cn1)Br)c2ccccc2 27a_100000717977_100000686858 [0,2,0,0,0,0|1,0,0]=3 9360 B19R2.11845 FC(F)(CNc1cnc(cn1)Br)c2ccccc2 27a_100000717977_100010187541 [0,2,0,0,0,0|2,0,0]=4 9361 B19R2.11845 FC(F)(CNc1ncc(cn1)Br)c2ccccc2 27a_100000717977_100000690281 [0,2,0,0,0,0|2,0,0]=4 9362 B19R2.11845 FC(F)(CNc1ncc(cn1)Cl)c2ccccc2 27a_100000717977_100011356929 [0,2,0,0,0,0|2,0,0]=4 9363 B19R2.11845 FC(F)(COc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100009875531 [0,2,0,0,0,0|2,0,0]=4 9364 B19R2.11845 FC(F)(CSc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100009875531 [0,2,0,0,0,0|2,0,0]=4 9365 B19R2.11845 FC(F)(CSc1ccc(cn1)Br)c2ccccc2 62a_100009875531_100000686858 [0,2,0,0,0,0|2,0,0]=4 9366 B19R2.11845 FC(F)(CSc1ccc(cn1)Cl)c2ccccc2 62a_100009875531_100011356976 [0,2,0,0,0,0|2,0,0]=4 9367 B19R2.11845 FC(F)(CSc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100009875531 [0,2,0,0,0,0|2,0,0]=4 9368 B19R2.11845 Fc1ccc(cc1)NCC(F)(F)c2ccccc2 34a_100000185862_100009875531 [0,2,0,0,0,0|2,0,0]=4 9369 B19R2.11845 Fc1ccc(nc1)OCC(F)(F)c2ccccc2 34a_100000742473_100009875531 [0,2,0,0,0,0|2,0,0]=4 9370 B19R2.11845 Fc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100000744514_100009875531 [0,2,0,0,0,0|2,0,0]=4 9371 B19R2.11845 Fc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100009875531_100000744514 [0,2,0,0,0,0|2,0,0]=4 9372 B19R2.11845 Fc1cnc(cn1)NCC(F)(F)c2ccccc2 27a_100000717977_100009856528 [0,2,0,0,0,0|2,0,0]=4 9373 B19R2.11845 Fc1cnc(nc1)NCC(F)(F)c2ccccc2 27a_100000717977_100000685220 [0,2,0,0,0,0|2,0,0]=4 9374 B19R2.11845 Nc1ccc(nc1)OCC(F)(F)c2ccccc2 34a_100000729260_100009875531 [0,2,0,0,0,0|2,0,0]=4 9375 B19R2.11845 Nc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100000737798_100009875531 [0,2,0,0,0,0|2,0,0]=4 9376 B19R2.11845 Nc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100009875531_100000737798 [0,2,0,0,0,0|2,0,0]=4 9377 B19R2.11845 Oc1ccc(cc1)NCC(F)(F)c2ccccc2 34a_100000185829_100009875531 [0,2,0,0,0,0|2,0,0]=4 9378 B19R2.11845 Oc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100000685995_100009875531 [0,2,0,0,0,0|2,0,0]=4 9379 B19R2.11845 Oc1ccc(nc1)SCC(F)(F)c2ccccc2 62a_100009875531_100000744096 [0,2,0,0,0,0|2,0,0]=4 9380 B19R2.12083 Cc1ccc(nn1)NCC(O)c2ccccc2Br 27a_100011236429_100000744512 [0,2,0,0,0,0|1,0,0]=3 9381 B19R2.12083 Cc1ccc(nn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000744512 [0,2,0,0,0,0|1,0,0]=3 9382 B19R2.12083 Cc1cnc(cn1)NCC(O)c2ccccc2Br 27a_100011236429_100000074397 [0,2,0,0,0,0|1,0,0]=3 9383 B19R2.12083 Cc1cnc(cn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000074397 [0,2,0,0,0,0|1,0,0]=3 9384 B19R2.12083 Cc1cnc(nc1)NCC(O)c2ccccc2Br 27a_100011236429_100000061069 [0,2,0,0,0,0|1,0,0]=3 9385 B19R2.12083 Cc1cnc(nc1)NCC(O)c2ccccc2Cl 27a_200000759403_100000061069 [0,2,0,0,0,0|1,0,0]=3 9386 B19R2.12083 Nc1ncc(nn1)NCC(O)c2ccccc2Br 27a_100011236429_100000691435 [0,2,0,0,0,0|2,0,0]=4 9387 B19R2.12083 Nc1ncc(nn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000691435 [0,2,0,0,0,0|2,0,0]=4 9388 B19R2.12083 OC(CNc1ccc(cn1)Br)c2ccccc2Br 27a_100011236429_100000686858 [0,2,0,0,0,0|0,0,0]=2 9389 B19R2.12083 OC(CNc1ccc(cn1)Br)c2ccccc2Cl 27a_200000759403_100000686858 [0,2,0,0,0,0|0,0,0]=2 9390 B19R2.12083 OC(CNc1cnc(cn1)Br)c2ccccc2Br 27a_100011236429_100010187541 [0,2,0,0,0,0|1,0,0]=3 9391 B19R2.12083 OC(CNc1cnc(cn1)Br)c2ccccc2Cl 27a_200000759403_100010187541 [0,2,0,0,0,0|1,0,0]=3 9392 B19R2.12083 OC(CNc1cnc(cn1)F)c2ccccc2Br 27a_100011236429_100009856528 [0,2,0,0,0,0|1,0,0]=3 9393 B19R2.12083 OC(CNc1cnc(cn1)F)c2ccccc2Cl 27a_200000759403_100009856528 [0,2,0,0,0,0|1,0,0]=3 9394 B19R2.12083 OC(CNc1ncc(cn1)Br)c2ccccc2Br 27a_100011236429_100000690281 [0,2,0,0,0,0|1,0,0]=3 9395 B19R2.12083 OC(CNc1ncc(cn1)Br)c2ccccc2Cl 27a_200000759403_100000690281 [0,2,0,0,0,0|1,0,0]=3 9396 B19R2.12083 OC(CNc1ncc(cn1)Cl)c2ccccc2Br 27a_100011236429_100011356929 [0,2,0,0,0,0|1,0,0]=3 9397 B19R2.12083 OC(CNc1ncc(cn1)Cl)c2ccccc2Cl 27a_200000759403_100011356929 [0,2,0,0,0,0|1,0,0]=3 9398 B19R2.12083 OC(CNc1ncc(cn1)F)c2ccccc2Br 27a_100011236429_100000685220 [0,2,0,0,0,0|1,0,0]=3 9399 B19R2.12083 OC(CNc1ncc(cn1)F)c2ccccc2Cl 27a_200000759403_100000685220 [0,2,0,0,0,0|1,0,0]=3 9400 B19R2.201 CC(N[C@H](CO)c1ccccc1)c2ccccn2 269862a_100000751927_100000210467 [0,2,0,0,0,0|2,0,0]=4 9401 B19R2.201 CCN(CC(C)c1ccccc1)c2ccccc2 2230a_100000210013_100000756946 [0,2,0,0,0,0|2,0,0]=4 9402 B19R2.201 CCN(CC(C)c1ccccc1)c2ccccc2 269982a_100000210013_100000756946 [0,2,0,0,0,0|2,0,0]=4 9403 B19R2.201 CCN(CC(C)c1ccccc1)c2ccccc2 34a_100000210013_100000756946 [0,2,0,0,0,0|2,0,0]=4 9404 B19R2.201 CCN(CC(O)c1ccccc1)c2ccccc2 2230a_100000210013_100000185958 [0,2,0,0,0,0|1,0,0]=3 9405 B19R2.201 CCN(CC(O)c1ccccc1)c2ccccc2 34a_100000210013_100000185958 [0,2,0,0,0,0|1,0,0]=3 9406 B19R2.201 CCN(C[C@@H](O)c1ccccc1)c2ccccc2 2230a_100000210013_100011933945 [0,2,0,0,0,0|1,0,0]=3 9407 B19R2.201 CCN(C[C@@H](O)c1ccccc1)c2ccccc2 34a_100000210013_100011933945 [0,2,0,0,0,0|1,0,0]=3 9408 B19R2.2265 CC(Oc1ccccc1)C(O[13CH3])c2ccccc2 34a_100000519893_200025704644 [0,2,0,0,0,0|2,0,0]=4 9409 B19R2.2265 CC(Oc1ccccc1)C(O[13CH3])c2ccccc2 7a_100000519893_200025704644 [0,2,0,0,0,0|2,0,0]=4 9410 B19R2.2265 COC(c1ccccc1)C(C)Oc2ccccc2 34a_100000519893_200000210301 [0,2,0,0,0,0|2,0,0]=4 9411 B19R2.2265 COC(c1ccccc1)C(C)Oc2ccccc2 7a_100000519893_200000210301 [0,2,0,0,0,0|2,0,0]=4 9412 B19R2.2265 CO[C@@H](C(=O)Cc1ccccn1)c2ccccc2 1458a_100000698336_100000721315 [0,2,0,0,0,0|1,0,1]=4 9413 B19R2.2265 CO[C@@H](C(=O)Nc1ccccc1)c2ccccc2 11a_100000106764_100000698336 [0,2,0,0,0,0|1,0,1]=4 9414 B19R2.2265 CO[C@@H](C(=O)Nc1ccccc1)c2ccccc2 1626a_100000106764_100000698336 [0,2,0,0,0,0|1,0,1]=4 9415 B19R2.2265 CO[C@@H](C(=O)Nc1ccccc1)c2ccccc2 22a_100000106764_100000698336 [0,2,0,0,0,0|1,0,1]=4 9416 B19R2.2265 CO[C@@H](C(=O)Nc1ccccc1)c2ccccc2 527a_100000106764_100000698336 [0,2,0,0,0,0|1,0,1]=4 9417 B19R2.2265 O=C(Cc1ccccn1)C(CO)c2ccccc2 1458a_100011218805_100000721315 [0,2,0,0,0,0|1,0,1]=4 9418 B19R2.2265 O=C(Nc1ccccc1)C(CO)c2ccccc2 22a_100000106764_100011218805 [0,2,0,0,0,0|1,0,1]=4 9419 B19R2.2541 CC(C)[C@H](CNc1cccnn1)c2ccccc2 27a_200009885855_100016991348 [0,2,0,0,0,0|2,0,0]=4 9420 B19R2.2541 CC(C)[C@H](CNc1ccncn1)c2ccccc2 27a_200009885855_100000703185 [0,2,0,0,0,0|2,0,0]=4 9421 B19R2.2541 CC(C)[C@H](CNc1cnccn1)c2ccccc2 27a_200009885855_100000211759 [0,2,0,0,0,0|2,0,0]=4 9422 B19R2.2541 CC(C)[C@H](CNc1ncccn1)c2ccccc2 27a_200009885855_100000211032 [0,2,0,0,0,0|2,0,0]=4 9423 B19R2.2541 CN(C)C(CNc1cccnn1)c2ccccc2 27a_100000183155_100016991348 [0,2,0,0,0,0|2,0,0]=4 9424 B19R2.2541 CN(C)C(CNc1ccncn1)c2ccccc2 27a_100000183155_100000703185 [0,2,0,0,0,0|2,0,0]=4 9425 B19R2.2541 CN(C)C(CNc1cnccn1)c2ccccc2 27a_100000183155_100000211759 [0,2,0,0,0,0|2,0,0]=4 9426 B19R2.2541 CN(C)C(CNc1ncccn1)c2ccccc2 27a_100000183155_100000211032 [0,2,0,0,0,0|2,0,0]=4 9427 B19R2.2541 C[C@H](O)[C@@H](NCc1ccccn1)c2ccccc2 207a_100134616770_100000209966 [0,2,0,0,0,0|2,0,0]=4 9428 B19R2.2541 C[C@H](O)[C@@H](NCc1ccccn1)c2ccccc2 2230a_100134616770_100000721315 [0,2,0,0,0,0|2,0,0]=4 9429 B19R2.2541 C[C@H](O)[C@@H](NCc1ccccn1)c2ccccc2 270004a_100134616770_100000209966 [0,2,0,0,0,0|2,0,0]=4 9430 B19R2.2541 O=C(O)C(NCc1ccccn1)c2ccccc2 269956a_100000230147_100000721315 [0,2,0,0,0,0|2,0,0]=4 9431 B19R2.2794 CCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100000210202 [0,2,0,0,0,0|2,0,0]=4 9432 B19R2.2794 CCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100000210202 [0,2,0,0,0,0|2,0,0]=4 9433 B19R2.2794 CCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100000210202 [0,2,0,0,0,0|2,0,0]=4 9434 B19R2.2794 CCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100000210202 [0,2,0,0,0,0|2,0,0]=4 9435 B19R2.2794 COCC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100000765260 [0,2,0,0,0,0|1,0,1]=4 9436 B19R2.2794 COC[C@@H](NCc1ccccn1)c2ccccc2 207a_103619048568_100000209966 [0,2,0,0,0,0|2,0,0]=4 9437 B19R2.2794 COC[C@@H](NCc1ccccn1)c2ccccc2 2230a_103619048568_100000721315 [0,2,0,0,0,0|2,0,0]=4 9438 B19R2.2794 COC[C@@H](NCc1ccccn1)c2ccccc2 270004a_103619048568_100000209966 [0,2,0,0,0,0|2,0,0]=4 9439 B19R2.2794 COC[C@@H](NCc1ccccn1)c2ccccc2 34a_103619048568_100000721315 [0,2,0,0,0,0|2,0,0]=4 9440 B19R2.2794 FCOC(CCc1ccccc1)c2ccccc2 34a_200000373236_100015361967 [0,2,0,0,0,0|2,0,0]=4 9441 B19R2.2794 FCOC(CCc1ccccc1)c2ccccc2 7a_200000373236_100015361967 [0,2,0,0,0,0|2,0,0]=4 9442 B19R2.2794 FCOC(COc1ccccc1)c2ccccc2 34a_100000259978_100015361967 [0,2,0,0,0,0|2,0,0]=4 9443 B19R2.2794 FCOC(COc1ccccc1)c2ccccc2 7a_100000259978_100015361967 [0,2,0,0,0,0|2,0,0]=4 9444 B19R2.2794 OCCN(CCc1ccccn1)c2ccccc2 2230a_100000211345_100015183660 [0,2,0,0,0,0|2,0,0]=4 9445 B19R2.2794 OCCN(CCc1ccccn1)c2ccccc2 269982a_100000211345_100015183660 [0,2,0,0,0,0|2,0,0]=4 9446 B19R2.2794 OCC[C@H](NCc1ccccn1)c2ccccc2 207a_100025705951_100000209966 [0,2,0,0,0,0|2,0,0]=4 9447 B19R2.2794 OCC[C@H](NCc1ccccn1)c2ccccc2 2230a_100025705951_100000721315 [0,2,0,0,0,0|2,0,0]=4 9448 B19R2.2794 OCC[C@H](NCc1ccccn1)c2ccccc2 270004a_100025705951_100000209966 [0,2,0,0,0,0|2,0,0]=4 9449 B19R2.2794 ON=CC(=NNc1ccccn1)c2ccccc2 4a_100000183288_100016272100 [0,2,0,0,0,0|1,0,1]=4 9450 B19R2.3966 Cc1cccc(c1)[C@@H](CO)NCc2ccccn2 207a_100009818812_100000209966 [0,2,0,0,0,0|2,0,0]=4 9451 B19R2.3966 Cc1cccc(c1)[C@@H](CO)NCc2ccccn2 2230a_100009818812_100000721315 [0,2,0,0,0,0|2,0,0]=4 9452 B19R2.3966 Cc1cccc(c1)[C@@H](CO)NCc2ccccn2 270004a_100009818812_100000209966 [0,2,0,0,0,0|2,0,0]=4 9453 B19R2.3966 Cc1cccc(c1)[C@@H](CO)NCc2ccccn2 34a_100009818812_100000721315 [0,2,0,0,0,0|2,0,0]=4 9454 B19R2.3966 OCC(=NNc1ccccn1)c2cccc(c2)F 4a_100000183288_100011592800 [0,2,0,0,0,0|1,0,1]=4 9455 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)Br 207a_100000690078_100000209966 [0,2,0,0,0,0|2,0,0]=4 9456 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)Br 2230a_100000690078_100000721315 [0,2,0,0,0,0|2,0,0]=4 9457 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)Br 270004a_100000690078_100000209966 [0,2,0,0,0,0|2,0,0]=4 9458 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)Br 34a_100000690078_100000721315 [0,2,0,0,0,0|2,0,0]=4 9459 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)O 207a_100025717460_100000209966 [0,2,0,0,0,0|2,0,0]=4 9460 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)O 2230a_100025717460_100000721315 [0,2,0,0,0,0|2,0,0]=4 9461 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)O 270004a_100025717460_100000209966 [0,2,0,0,0,0|2,0,0]=4 9462 B19R2.3966 OCC(NCc1ccccn1)c2cccc(c2)O 34a_100025717460_100000721315 [0,2,0,0,0,0|2,0,0]=4 9463 B19R2.3966 OC[C@@H](NCc1ccccn1)c2cccc(c2)F 207a_100020641251_100000209966 [0,2,0,0,0,0|2,0,0]=4 9464 B19R2.3966 OC[C@@H](NCc1ccccn1)c2cccc(c2)F 2230a_100020641251_100000721315 [0,2,0,0,0,0|2,0,0]=4 9465 B19R2.3966 OC[C@@H](NCc1ccccn1)c2cccc(c2)F 270004a_100020641251_100000209966 [0,2,0,0,0,0|2,0,0]=4 9466 B19R2.3966 OC[C@@H](NCc1ccccn1)c2cccc(c2)F 34a_100020641251_100000721315 [0,2,0,0,0,0|2,0,0]=4 9467 B19R2.3966 OC[C@H](NCc1ccccn1)c2cccc(c2)Cl 207a_100032004910_100000209966 [0,2,0,0,0,0|2,0,0]=4 9468 B19R2.3966 OC[C@H](NCc1ccccn1)c2cccc(c2)Cl 2230a_100032004910_100000721315 [0,2,0,0,0,0|2,0,0]=4 9469 B19R2.3966 OC[C@H](NCc1ccccn1)c2cccc(c2)Cl 270004a_100032004910_100000209966 [0,2,0,0,0,0|2,0,0]=4 9470 B19R2.3966 OC[C@H](NCc1ccccn1)c2cccc(c2)Cl 34a_100032004910_100000721315 [0,2,0,0,0,0|2,0,0]=4 9471 B19R2.43259 OCC(NCc1ccccn1)c2ccccc2Cl 207a_100138412506_100000209966 [0,2,0,0,0,0|2,0,0]=4 9472 B19R2.43259 OCC(NCc1ccccn1)c2ccccc2Cl 2230a_100138412506_100000721315 [0,2,0,0,0,0|2,0,0]=4 9473 B19R2.43259 OCC(NCc1ccccn1)c2ccccc2Cl 270004a_100138412506_100000209966 [0,2,0,0,0,0|2,0,0]=4 9474 B19R2.43259 OCC(NCc1ccccn1)c2ccccc2Cl 34a_100138412506_100000721315 [0,2,0,0,0,0|2,0,0]=4 9475 B19R2.43259 OC[C@@H](NCc1ccccn1)c2ccccc2Br 207a_100161155918_100000209966 [0,2,0,0,0,0|2,0,0]=4 9476 B19R2.43259 OC[C@@H](NCc1ccccn1)c2ccccc2Br 2230a_100161155918_100000721315 [0,2,0,0,0,0|2,0,0]=4 9477 B19R2.43259 OC[C@@H](NCc1ccccn1)c2ccccc2Br 270004a_100161155918_100000209966 [0,2,0,0,0,0|2,0,0]=4 9478 B19R2.43259 OC[C@@H](NCc1ccccn1)c2ccccc2Br 34a_100161155918_100000721315 [0,2,0,0,0,0|2,0,0]=4 9479 B19R2.43259 OC[C@H](NCc1ccccn1)c2ccccc2F 207a_100009818778_100000209966 [0,2,0,0,0,0|2,0,0]=4 9480 B19R2.43259 OC[C@H](NCc1ccccn1)c2ccccc2F 2230a_100009818778_100000721315 [0,2,0,0,0,0|2,0,0]=4 9481 B19R2.43259 OC[C@H](NCc1ccccn1)c2ccccc2F 270004a_100009818778_100000209966 [0,2,0,0,0,0|2,0,0]=4 9482 B19R2.43259 OC[C@H](NCc1ccccn1)c2ccccc2F 34a_100009818778_100000721315 [0,2,0,0,0,0|2,0,0]=4 9483 B19R2.43272 Cc1cccc(n1)CN[C@H](CO)c2ccccc2 207a_100000751927_100011215050 [0,2,0,0,0,0|2,0,0]=4 9484 B19R2.43272 Cc1cccc(n1)CN[C@H](CO)c2ccccc2 2230a_100000751927_100000757606 [0,2,0,0,0,0|2,0,0]=4 9485 B19R2.43272 Cc1cccc(n1)CN[C@H](CO)c2ccccc2 270004a_100000751927_100011215050 [0,2,0,0,0,0|2,0,0]=4 9486 B19R2.43272 Cc1cccc(n1)CN[C@H](CO)c2ccccc2 34a_100000751927_100000757606 [0,2,0,0,0,0|2,0,0]=4 9487 B19R2.43272 Cc1cccc(n1)NN=C(CO)c2ccccc2 4a_100011363444_100000748912 [0,2,0,0,0,0|1,0,1]=4 9488 B19R2.43272 Cc1ccnc(c1)CN[C@H](CO)c2ccccc2 207a_100000751927_100011361488 [0,2,0,0,0,0|2,0,0]=4 9489 B19R2.43272 Cc1ccnc(c1)CN[C@H](CO)c2ccccc2 2230a_100000751927_100000718516 [0,2,0,0,0,0|2,0,0]=4 9490 B19R2.43272 Cc1ccnc(c1)CN[C@H](CO)c2ccccc2 270004a_100000751927_100011361488 [0,2,0,0,0,0|2,0,0]=4 9491 B19R2.43272 Cc1ccnc(c1)CN[C@H](CO)c2ccccc2 34a_100000751927_100000718516 [0,2,0,0,0,0|2,0,0]=4 9492 B19R2.43272 Cc1ccnc(c1)NN=C(CO)c2ccccc2 4a_100000746014_100000748912 [0,2,0,0,0,0|1,0,1]=4 9493 B19R2.43272 OCC(=NNc1cc(ccn1)Br)c2ccccc2 4a_100000764631_100000748912 [0,2,0,0,0,0|1,0,1]=4 9494 B19R2.43272 OCC(=NNc1cc(ccn1)Cl)c2ccccc2 4a_100102524961_100000748912 [0,2,0,0,0,0|1,0,1]=4 9495 B19R2.43272 OCC(=NNc1cc(ccn1)I)c2ccccc2 4a_100010221011_100000748912 [0,2,0,0,0,0|1,0,1]=4 9496 B19R2.43272 OCC(=NNc1cccc(n1)Br)c2ccccc2 4a_100009817029_100000748912 [0,2,0,0,0,0|1,0,1]=4 9497 B19R2.43272 OCC(=NNc1cccc(n1)Cl)c2ccccc2 4a_100102524919_100000748912 [0,2,0,0,0,0|1,0,1]=4 9498 B19R2.43272 OCC(=NNc1cccc(n1)F)c2ccccc2 4a_100000075452_100000748912 [0,2,0,0,0,0|1,0,1]=4 9499 B19R2.43272 OC[C@@H](NCc1cc(ccn1)Br)c2ccccc2 2230a_100000751927_100010173614 [0,2,0,0,0,0|2,0,0]=4 9500 B19R2.43272 OC[C@@H](NCc1cc(ccn1)Br)c2ccccc2 270004a_100000751927_100009818557 [0,2,0,0,0,0|2,0,0]=4 9501 B19R2.43272 OC[C@@H](NCc1cc(ccn1)Br)c2ccccc2 34a_100000751927_100010173614 [0,2,0,0,0,0|2,0,0]=4 9502 B19R2.43272 OC[C@@H](NCc1cc(ccn1)Cl)c2ccccc2 2230a_100000751927_100016988179 [0,2,0,0,0,0|2,0,0]=4 9503 B19R2.43272 OC[C@@H](NCc1cc(ccn1)Cl)c2ccccc2 270004a_100000751927_100011998288 [0,2,0,0,0,0|2,0,0]=4 9504 B19R2.43272 OC[C@@H](NCc1cc(ccn1)Cl)c2ccccc2 34a_100000751927_100016988179 [0,2,0,0,0,0|2,0,0]=4 9505 B19R2.43272 OC[C@@H](NCc1cccc(n1)Br)c2ccccc2 2230a_100000751927_100009889011 [0,2,0,0,0,0|2,0,0]=4 9506 B19R2.43272 OC[C@@H](NCc1cccc(n1)Br)c2ccccc2 270004a_100000751927_100000688028 [0,2,0,0,0,0|2,0,0]=4 9507 B19R2.43272 OC[C@@H](NCc1cccc(n1)Br)c2ccccc2 34a_100000751927_100009889011 [0,2,0,0,0,0|2,0,0]=4 9508 B19R2.43272 OC[C@@H](NCc1cccc(n1)Cl)c2ccccc2 2230a_100000751927_100000086093 [0,2,0,0,0,0|2,0,0]=4 9509 B19R2.43272 OC[C@@H](NCc1cccc(n1)Cl)c2ccccc2 270004a_100000751927_100011361687 [0,2,0,0,0,0|2,0,0]=4 9510 B19R2.43272 OC[C@@H](NCc1cccc(n1)Cl)c2ccccc2 34a_100000751927_100000086093 [0,2,0,0,0,0|2,0,0]=4 9511 B19R2.43272 OC[C@@H](NCc1cccc(n1)F)c2ccccc2 2230a_100000751927_100009819644 [0,2,0,0,0,0|2,0,0]=4 9512 B19R2.43272 OC[C@@H](NCc1cccc(n1)F)c2ccccc2 270004a_100000751927_100000050434 [0,2,0,0,0,0|2,0,0]=4 9513 B19R2.43272 OC[C@@H](NCc1cccc(n1)F)c2ccccc2 34a_100000751927_100009819644 [0,2,0,0,0,0|2,0,0]=4 9514 B19R2.207158 CC(COc1ccccc1)(O[13CH3])c2ccccc2 7a_200003291822_200025704644 [0,2,0,0,0,0|2,0,0]=4 9515 B19R2.207158 COC(C)(COc1ccccc1)c2ccccc2 7a_200003291822_200000210301 [0,2,0,0,0,0|2,0,0]=4 9516 B19R2.207455 Cc1cccnc1CN[C@H](CO)c2ccccc2 207a_100000751927_100000698913 [0,2,0,0,0,0|2,0,0]=4 9517 B19R2.207455 Cc1cccnc1CN[C@H](CO)c2ccccc2 2230a_100000751927_100000696600 [0,2,0,0,0,0|2,0,0]=4 9518 B19R2.207455 Cc1cccnc1CN[C@H](CO)c2ccccc2 270004a_100000751927_100000698913 [0,2,0,0,0,0|2,0,0]=4 9519 B19R2.207455 Cc1cccnc1CN[C@H](CO)c2ccccc2 34a_100000751927_100000696600 [0,2,0,0,0,0|2,0,0]=4 9520 B19R2.207455 Cc1cccnc1NN=C(CO)c2ccccc2 4a_100000708268_100000748912 [0,2,0,0,0,0|1,0,1]=4 9521 B19R2.207455 OCC(=NNc1ncccc1Br)c2ccccc2 4a_100011464834_100000748912 [0,2,0,0,0,0|1,0,1]=4 9522 B19R2.207455 OCC(=NNc1ncccc1Cl)c2ccccc2 4a_100000741667_100000748912 [0,2,0,0,0,0|1,0,1]=4 9523 B19R2.207455 OCC(=NNc1ncccc1F)c2ccccc2 4a_100000717775_100000748912 [0,2,0,0,0,0|1,0,1]=4 9524 B19R2.207455 OCC(=NNc1ncccc1I)c2ccccc2 4a_100010221029_100000748912 [0,2,0,0,0,0|1,0,1]=4 9525 B19R2.207455 OC[C@@H](NCc1ncccc1Br)c2ccccc2 207a_100000751927_100011934733 [0,2,0,0,0,0|2,0,0]=4 9526 B19R2.207455 OC[C@@H](NCc1ncccc1Br)c2ccccc2 2230a_100000751927_100025702911 [0,2,0,0,0,0|2,0,0]=4 9527 B19R2.207455 OC[C@@H](NCc1ncccc1Br)c2ccccc2 270004a_100000751927_100011934733 [0,2,0,0,0,0|2,0,0]=4 9528 B19R2.207455 OC[C@@H](NCc1ncccc1Br)c2ccccc2 34a_100000751927_100025702911 [0,2,0,0,0,0|2,0,0]=4 9529 B19R2.207455 OC[C@@H](NCc1ncccc1Cl)c2ccccc2 207a_100000751927_100012001307 [0,2,0,0,0,0|2,0,0]=4 9530 B19R2.207455 OC[C@@H](NCc1ncccc1Cl)c2ccccc2 2230a_100000751927_100000099807 [0,2,0,0,0,0|2,0,0]=4 9531 B19R2.207455 OC[C@@H](NCc1ncccc1Cl)c2ccccc2 270004a_100000751927_100012001307 [0,2,0,0,0,0|2,0,0]=4 9532 B19R2.207455 OC[C@@H](NCc1ncccc1F)c2ccccc2 207a_100000751927_100011934734 [0,2,0,0,0,0|2,0,0]=4 9533 B19R2.207455 OC[C@@H](NCc1ncccc1F)c2ccccc2 2230a_100000751927_100000104219 [0,2,0,0,0,0|2,0,0]=4 9534 B19R2.207455 OC[C@@H](NCc1ncccc1F)c2ccccc2 270004a_100000751927_100011934734 [0,2,0,0,0,0|2,0,0]=4 9535 B19R2.207455 OC[C@@H](NCc1ncccc1F)c2ccccc2 34a_100000751927_100000104219 [0,2,0,0,0,0|2,0,0]=4 9536 B19R2.207455 OC[C@@H](NCc1ncccc1O)c2ccccc2 34a_100000751927_200020655725 [0,2,0,0,0,0|2,0,0]=4 9537 B19R2.4362 CC(CN(C)c1cccc(c1)Br)c2ccccc2 2230a_100000219648_100000756946 [0,2,0,0,0,0|2,0,0]=4 9538 B19R2.4362 CC(CN(C)c1cccc(c1)Br)c2ccccc2 269982a_100000219648_100000756946 [0,2,0,0,0,0|2,0,0]=4 9539 B19R2.4362 CC(CN(C)c1cccc(c1)Br)c2ccccc2 34a_100000219648_100000756946 [0,2,0,0,0,0|2,0,0]=4 9540 B19R2.4362 CC(CN(C)c1cccc(c1)Cl)c2ccccc2 2230a_100000220044_100000756946 [0,2,0,0,0,0|2,0,0]=4 9541 B19R2.4362 CC(CN(C)c1cccc(c1)Cl)c2ccccc2 269982a_100000220044_100000756946 [0,2,0,0,0,0|2,0,0]=4 9542 B19R2.4362 CC(CN(C)c1cccc(c1)Cl)c2ccccc2 34a_100000220044_100000756946 [0,2,0,0,0,0|2,0,0]=4 9543 B19R2.4362 CC(CN(C)c1cccc(c1)F)c2ccccc2 2230a_100020633736_100000756946 [0,2,0,0,0,0|2,0,0]=4 9544 B19R2.4362 CC(CN(C)c1cccc(c1)F)c2ccccc2 269982a_100020633736_100000756946 [0,2,0,0,0,0|2,0,0]=4 9545 B19R2.4362 CC(CN(C)c1cccc(c1)F)c2ccccc2 34a_100020633736_100000756946 [0,2,0,0,0,0|2,0,0]=4 9546 B19R2.4362 CC(CN(C)c1cccc(c1)I)c2ccccc2 2230a_100000221217_100000756946 [0,2,0,0,0,0|2,0,0]=4 9547 B19R2.4362 CC(CN(C)c1cccc(c1)I)c2ccccc2 269982a_100000221217_100000756946 [0,2,0,0,0,0|2,0,0]=4 9548 B19R2.4362 CC(CN(C)c1cccc(c1)I)c2ccccc2 34a_100000221217_100000756946 [0,2,0,0,0,0|2,0,0]=4 9549 B19R2.4362 CC(CN(C)c1cccc(c1)O)c2ccccc2 2230a_100000756613_100000756946 [0,2,0,0,0,0|2,0,0]=4 9550 B19R2.4362 CC(CN(C)c1cccc(c1)O)c2ccccc2 269982a_100000756613_100000756946 [0,2,0,0,0,0|2,0,0]=4 9551 B19R2.4362 CC(CN(C)c1cccc(c1)O)c2ccccc2 34a_100000756613_100000756946 [0,2,0,0,0,0|2,0,0]=4 9552 B19R2.4362 CN(CC(O)c1cccc(c1)Br)c2cccnn2 27a_200000733937_100016991348 [0,2,0,0,0,0|1,0,0]=3 9553 B19R2.4362 CN(CC(O)c1cccc(c1)Br)c2ccncn2 27a_200000733937_100000703185 [0,2,0,0,0,0|1,0,0]=3 9554 B19R2.4362 CN(CC(O)c1cccc(c1)Br)c2cnccn2 27a_200000733937_100000211759 [0,2,0,0,0,0|1,0,0]=3 9555 B19R2.4362 CN(CC(O)c1cccc(c1)Br)c2ncccn2 27a_200000733937_100000211032 [0,2,0,0,0,0|1,0,0]=3 9556 B19R2.4362 CN(CC(O)c1ccccc1)c2c[n+](ccn2)[O-] 27a_100000227976_100009880115 [0,2,0,0,0,0|1,0,0]=3 9557 B19R2.4362 CN(CC(O)c1ccccc1)c2cc(ccn2)F 27a_100000227976_100000764206 [0,2,0,0,0,0|0,0,0]=2 9558 B19R2.4362 CN(CC(O)c1ccccc1)c2cc(ncn2)F 27a_100000227976_200009880791 [0,2,0,0,0,0|1,0,0]=3 9559 B19R2.4362 CN(CC(O)c1ccccc1)c2cc(ncn2)N 27a_100000227976_100000701291 [0,2,0,0,0,0|1,0,0]=3 9560 B19R2.4362 CN(CC(O)c1ccccc1)c2cc(ncn2)O 27a_100000227976_100000765262 [0,2,0,0,0,0|1,0,0]=3 9561 B19R2.4362 CN(CC(O)c1ccccc1)c2cc[nH]c(=O)c2 27a_100000227976_100000061649 [0,2,0,0,0,0|2,0,0]=4 9562 B19R2.4362 CN(CC(O)c1ccccc1)c2cc[nH]c(=O)n2 27a_100000227976_200000134032 [0,2,0,0,0,0|1,0,0]=3 9563 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)Br 2230a_100000219648_100000185958 [0,2,0,0,0,0|1,0,0]=3 9564 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)Br 34a_100000219648_100000185958 [0,2,0,0,0,0|1,0,0]=3 9565 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)Cl 2230a_100000220044_100000185958 [0,2,0,0,0,0|1,0,0]=3 9566 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)Cl 34a_100000220044_100000185958 [0,2,0,0,0,0|1,0,0]=3 9567 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)F 2230a_100020633736_100000185958 [0,2,0,0,0,0|1,0,0]=3 9568 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)F 34a_100020633736_100000185958 [0,2,0,0,0,0|1,0,0]=3 9569 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)I 2230a_100000221217_100000185958 [0,2,0,0,0,0|1,0,0]=3 9570 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)I 34a_100000221217_100000185958 [0,2,0,0,0,0|1,0,0]=3 9571 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)O 2230a_100000756613_100000185958 [0,2,0,0,0,0|1,0,0]=3 9572 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(c2)O 34a_100000756613_100000185958 [0,2,0,0,0,0|1,0,0]=3 9573 B19R2.4362 CN(CC(O)c1ccccc1)c2cccc(n2)F 27a_100000227976_100009815982 [0,2,0,0,0,0|0,0,0]=2 9574 B19R2.4362 CN(CC(O)c1ccccc1)c2ccnc(c2)F 27a_100000227976_100009816116 [0,2,0,0,0,0|2,0,0]=4 9575 B19R2.4362 CN(CC(O)c1ccccc1)c2ccnc(n2)N 27a_100000227976_100000055538 [0,2,0,0,0,0|1,0,0]=3 9576 B19R2.4362 CN(CC(O)c1ccccc1)c2cncc(n2)Cl 27a_100000227976_100010892449 [0,2,0,0,0,0|1,0,0]=3 9577 B19R2.4362 CN(CC(O)c1ccccc1)c2cncc(n2)F 27a_100000227976_200009863489 [0,2,0,0,0,0|1,0,0]=3 9578 B19R2.4362 CN(CC(O)c1ccccc1)c2nccc(n2)N 27a_100000227976_100000757536 [0,2,0,0,0,0|1,0,0]=3 9579 B19R2.4362 CN(CC(O)c1ccccc1)c2nccc(n2)O 27a_100000227976_100011649813 [0,2,0,0,0,0|1,0,0]=3 9580 B19R2.4362 CN(CC(O)c1ccccc1)c2ncnc(n2)N 27a_100000227976_100000123831 [0,2,0,0,0,0|2,0,0]=4 9581 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)Br 2230a_100000219648_100011933945 [0,2,0,0,0,0|1,0,0]=3 9582 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)Br 34a_100000219648_100011933945 [0,2,0,0,0,0|1,0,0]=3 9583 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)Cl 2230a_100000220044_100011933945 [0,2,0,0,0,0|1,0,0]=3 9584 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)Cl 34a_100000220044_100011933945 [0,2,0,0,0,0|1,0,0]=3 9585 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)F 2230a_100020633736_100011933945 [0,2,0,0,0,0|1,0,0]=3 9586 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)F 34a_100020633736_100011933945 [0,2,0,0,0,0|1,0,0]=3 9587 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)I 2230a_100000221217_100011933945 [0,2,0,0,0,0|1,0,0]=3 9588 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)I 34a_100000221217_100011933945 [0,2,0,0,0,0|1,0,0]=3 9589 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)O 2230a_100000756613_100011933945 [0,2,0,0,0,0|1,0,0]=3 9590 B19R2.4362 CN(C[C@@H](O)c1ccccc1)c2cccc(c2)O 34a_100000756613_100011933945 [0,2,0,0,0,0|1,0,0]=3 9591 B19R2.4362 CN(C[C@H](O)c1cccc(c1)O)c2cccnn2 27a_100009815823_100016991348 [0,2,0,0,0,0|1,0,0]=3 9592 B19R2.4362 CN(C[C@H](O)c1cccc(c1)O)c2ccncn2 27a_100009815823_100000703185 [0,2,0,0,0,0|1,0,0]=3 9593 B19R2.4362 CN(C[C@H](O)c1cccc(c1)O)c2cnccn2 27a_100009815823_100000211759 [0,2,0,0,0,0|1,0,0]=3 9594 B19R2.4362 CN(C[C@H](O)c1cccc(c1)O)c2ncccn2 27a_100009815823_100000211032 [0,2,0,0,0,0|1,0,0]=3 9595 B19R2.4362 Cc1cc(ccn1)N(C)CC(O)c2ccccc2 27a_100000227976_100000758586 [0,2,0,0,0,0|2,0,0]=4 9596 B19R2.4362 Cc1cc(ncn1)N(C)CC(O)c2ccccc2 27a_100000227976_100000744208 [0,2,0,0,0,0|1,0,0]=3 9597 B19R2.4362 Cc1cccc(c1)C(=O)CC(O)c2ccccc2 1458a_100000189346_100000185958 [0,2,0,0,0,0|2,0,0]=4 9598 B19R2.4362 Cc1cccc(c1)C(=O)C[C@@H](O)c2ccccc2 1458a_100000189346_100011933945 [0,2,0,0,0,0|2,0,0]=4 9599 B19R2.4362 Cc1cccc(c1)N(C)CC(C)c2ccccc2 2230a_100000219674_100000756946 [0,2,0,0,0,0|2,0,0]=4 9600 B19R2.4362 Cc1cccc(c1)N(C)CC(C)c2ccccc2 269982a_100000219674_100000756946 [0,2,0,0,0,0|2,0,0]=4 9601 B19R2.4362 Cc1cccc(c1)N(C)CC(C)c2ccccc2 34a_100000219674_100000756946 [0,2,0,0,0,0|2,0,0]=4 9602 B19R2.4362 Cc1cccc(c1)N(C)CC(O)c2ccccc2 2230a_100000219674_100000185958 [0,2,0,0,0,0|1,0,0]=3 9603 B19R2.4362 Cc1cccc(c1)N(C)CC(O)c2ccccc2 34a_100000219674_100000185958 [0,2,0,0,0,0|1,0,0]=3 9604 B19R2.4362 Cc1cccc(c1)N(C)C[C@@H](O)c2ccccc2 2230a_100000219674_100011933945 [0,2,0,0,0,0|1,0,0]=3 9605 B19R2.4362 Cc1cccc(c1)N(C)C[C@@H](O)c2ccccc2 34a_100000219674_100011933945 [0,2,0,0,0,0|1,0,0]=3 9606 B19R2.4362 Cc1ccnc(n1)N(C)CC(O)c2ccccc2 27a_100000227976_100000750684 [0,2,0,0,0,0|1,0,0]=3 9607 B19R2.4362 Cc1cncc(n1)N(C)CC(O)c2ccccc2 27a_100000227976_100000754123 [0,2,0,0,0,0|1,0,0]=3 9608 B19R2.4362 Cc1cnnc(c1)N(C)CC(O)c2ccccc2 27a_100000227976_100000070100 [0,2,0,0,0,0|1,0,0]=3 9609 B19R2.4362 Cc1nccc(n1)N(C)CC(O)c2ccccc2 27a_100000227976_100000749937 [0,2,0,0,0,0|1,0,0]=3 9610 B19R2.4362 O=C(CC(O)c1ccccc1)c2cccc(c2)Br 1458a_100000210664_100000185958 [0,2,0,0,0,0|2,0,0]=4 9611 B19R2.4362 O=C(CC(O)c1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100000185958 [0,2,0,0,0,0|2,0,0]=4 9612 B19R2.4362 O=C(CC(O)c1ccccc1)c2cccc(c2)F 1458a_100000210950_100000185958 [0,2,0,0,0,0|2,0,0]=4 9613 B19R2.4362 O=C(CC(O)c1ccccc1)c2cccc(c2)I 1458a_100000184098_100000185958 [0,2,0,0,0,0|2,0,0]=4 9614 B19R2.4362 O=C(CC(O)c1ccccc1)c2cccc(c2)O 1458a_100000183914_100000185958 [0,2,0,0,0,0|2,0,0]=4 9615 B19R2.4362 O=C(C[C@@H](O)c1ccccc1)c2cccc(c2)Br 1458a_100000210664_100011933945 [0,2,0,0,0,0|2,0,0]=4 9616 B19R2.4362 O=C(C[C@@H](O)c1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100011933945 [0,2,0,0,0,0|2,0,0]=4 9617 B19R2.4362 O=C(C[C@@H](O)c1ccccc1)c2cccc(c2)F 1458a_100000210950_100011933945 [0,2,0,0,0,0|2,0,0]=4 9618 B19R2.4362 O=C(C[C@@H](O)c1ccccc1)c2cccc(c2)I 1458a_100000184098_100011933945 [0,2,0,0,0,0|2,0,0]=4 9619 B19R2.4362 O=C(C[C@@H](O)c1ccccc1)c2cccc(c2)O 1458a_100000183914_100011933945 [0,2,0,0,0,0|2,0,0]=4 9620 B19R2.5647 CC(CN(C)c1ccccc1Br)c2ccccc2 2230a_100020606079_100000756946 [0,2,0,0,0,0|2,0,0]=4 9621 B19R2.5647 CC(CN(C)c1ccccc1Br)c2ccccc2 269982a_100020606079_100000756946 [0,2,0,0,0,0|2,0,0]=4 9622 B19R2.5647 CC(CN(C)c1ccccc1Br)c2ccccc2 34a_100020606079_100000756946 [0,2,0,0,0,0|2,0,0]=4 9623 B19R2.5647 CC(CN(C)c1ccccc1Cl)c2ccccc2 2230a_100000219374_100000756946 [0,2,0,0,0,0|2,0,0]=4 9624 B19R2.5647 CC(CN(C)c1ccccc1Cl)c2ccccc2 269982a_100000219374_100000756946 [0,2,0,0,0,0|2,0,0]=4 9625 B19R2.5647 CC(CN(C)c1ccccc1Cl)c2ccccc2 34a_100000219374_100000756946 [0,2,0,0,0,0|2,0,0]=4 9626 B19R2.5647 CC(CN(C)c1ccccc1F)c2ccccc2 2230a_100000220357_100000756946 [0,2,0,0,0,0|2,0,0]=4 9627 B19R2.5647 CC(CN(C)c1ccccc1F)c2ccccc2 269982a_100000220357_100000756946 [0,2,0,0,0,0|2,0,0]=4 9628 B19R2.5647 CC(CN(C)c1ccccc1F)c2ccccc2 34a_100000220357_100000756946 [0,2,0,0,0,0|2,0,0]=4 9629 B19R2.5647 CC(CN(C)c1ccccc1F)c2ccccc2 38a_100000220357_100000756946 [0,2,0,0,0,0|2,0,0]=4 9630 B19R2.5647 CC(CN(C)c1ccccc1O)c2ccccc2 269982a_100000033821_100000756946 [0,2,0,0,0,0|2,0,0]=4 9631 B19R2.5647 CN(CC(O)c1ccccc1)c2ccccc2Br 2230a_100020606079_100000185958 [0,2,0,0,0,0|1,0,0]=3 9632 B19R2.5647 CN(CC(O)c1ccccc1)c2ccccc2Br 34a_100020606079_100000185958 [0,2,0,0,0,0|1,0,0]=3 9633 B19R2.5647 CN(CC(O)c1ccccc1)c2ccccc2Cl 2230a_100000219374_100000185958 [0,2,0,0,0,0|1,0,0]=3 9634 B19R2.5647 CN(CC(O)c1ccccc1)c2ccccc2Cl 34a_100000219374_100000185958 [0,2,0,0,0,0|1,0,0]=3 9635 B19R2.5647 CN(CC(O)c1ccccc1)c2ccccc2F 2230a_100000220357_100000185958 [0,2,0,0,0,0|1,0,0]=3 9636 B19R2.5647 CN(CC(O)c1ccccc1)c2ccccc2F 34a_100000220357_100000185958 [0,2,0,0,0,0|1,0,0]=3 9637 B19R2.5647 CN(CC(O)c1ccccc1)c2ccncc2Br 27a_100000227976_100000726257 [0,2,0,0,0,0|2,0,0]=4 9638 B19R2.5647 CN(CC(O)c1ccccc1)c2ccncc2F 27a_100000227976_100000035921 [0,2,0,0,0,0|2,0,0]=4 9639 B19R2.5647 CN(CC(O)c1ccccc1)c2ncccc2Br 27a_100000227976_100000696092 [0,2,0,0,0,0|0,0,0]=2 9640 B19R2.5647 CN(CC(O)c1ccccc1)c2nccnc2F 27a_100000227976_200010125657 [0,2,0,0,0,0|1,0,0]=3 9641 B19R2.5647 CN(CC(O)c1ccccc1)c2ncncc2F 27a_100000227976_100000069762 [0,2,0,0,0,0|1,0,0]=3 9642 B19R2.5647 CN(CC(O)c1ccccc1)c2ncncc2N 27a_100000227976_100000709731 [0,2,0,0,0,0|1,0,0]=3 9643 B19R2.5647 CN(C[C@@H](O)c1ccccc1)c2ccccc2Br 2230a_100020606079_100011933945 [0,2,0,0,0,0|1,0,0]=3 9644 B19R2.5647 CN(C[C@@H](O)c1ccccc1)c2ccccc2Br 34a_100020606079_100011933945 [0,2,0,0,0,0|1,0,0]=3 9645 B19R2.5647 CN(C[C@@H](O)c1ccccc1)c2ccccc2Cl 2230a_100000219374_100011933945 [0,2,0,0,0,0|1,0,0]=3 9646 B19R2.5647 CN(C[C@@H](O)c1ccccc1)c2ccccc2Cl 34a_100000219374_100011933945 [0,2,0,0,0,0|1,0,0]=3 9647 B19R2.5647 CN(C[C@@H](O)c1ccccc1)c2ccccc2F 2230a_100000220357_100011933945 [0,2,0,0,0,0|1,0,0]=3 9648 B19R2.5647 CN(C[C@@H](O)c1ccccc1)c2ccccc2F 34a_100000220357_100011933945 [0,2,0,0,0,0|1,0,0]=3 9649 B19R2.5647 Cc1ccccc1C(=O)CC(O)c2ccccc2 1458a_100000212026_100000185958 [0,2,0,0,0,0|2,0,0]=4 9650 B19R2.5647 Cc1ccccc1C(=O)C[C@@H](O)c2ccccc2 1458a_100000212026_100011933945 [0,2,0,0,0,0|2,0,0]=4 9651 B19R2.5647 Cc1ccccc1N(C)CC(C)c2ccccc2 2230a_100000219699_100000756946 [0,2,0,0,0,0|2,0,0]=4 9652 B19R2.5647 Cc1ccccc1N(C)CC(C)c2ccccc2 269982a_100000219699_100000756946 [0,2,0,0,0,0|2,0,0]=4 9653 B19R2.5647 Cc1ccccc1N(C)CC(C)c2ccccc2 34a_100000219699_100000756946 [0,2,0,0,0,0|2,0,0]=4 9654 B19R2.5647 Cc1ccccc1N(C)CC(O)c2ccccc2 2230a_100000219699_100000185958 [0,2,0,0,0,0|1,0,0]=3 9655 B19R2.5647 Cc1ccccc1N(C)CC(O)c2ccccc2 34a_100000219699_100000185958 [0,2,0,0,0,0|1,0,0]=3 9656 B19R2.5647 Cc1ccccc1N(C)C[C@@H](O)c2ccccc2 2230a_100000219699_100011933945 [0,2,0,0,0,0|1,0,0]=3 9657 B19R2.5647 Cc1ccccc1N(C)C[C@@H](O)c2ccccc2 34a_100000219699_100011933945 [0,2,0,0,0,0|1,0,0]=3 9658 B19R2.5647 Cc1ccnnc1N(C)CC(O)c2ccccc2 27a_100000227976_100000089043 [0,2,0,0,0,0|1,0,0]=3 9659 B19R2.5647 Cc1cnccc1N(C)CC(O)c2ccccc2 27a_100000227976_100000765111 [0,2,0,0,0,0|2,0,0]=4 9660 B19R2.5647 Cc1cncnc1N(C)CC(O)c2ccccc2 27a_100000227976_100011998708 [0,2,0,0,0,0|1,0,0]=3 9661 B19R2.5647 Cc1nccnc1N(C)CC(O)c2ccccc2 27a_100000227976_100011999405 [0,2,0,0,0,0|1,0,0]=3 9662 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2Br 1458a_100000188424_100000185958 [0,2,0,0,0,0|2,0,0]=4 9663 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2Cl 1458a_100000185844_100000185958 [0,2,0,0,0,0|2,0,0]=4 9664 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2F 1458a_100000188656_100000185958 [0,2,0,0,0,0|2,0,0]=4 9665 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2I 1458a_100000187884_100000185958 [0,2,0,0,0,0|2,0,0]=4 9666 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2O 1458a_100015234032_100000185958 [0,2,0,0,0,0|2,0,0]=4 9667 B19R2.5647 O=C(CC(O)c1ccccc1)c2ccccc2[O-] 1458a_100009911694_100000185958 [0,2,0,0,0,0|2,0,0]=4 9668 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2Br 1458a_100000188424_100011933945 [0,2,0,0,0,0|2,0,0]=4 9669 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2Cl 1458a_100000185844_100011933945 [0,2,0,0,0,0|2,0,0]=4 9670 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2F 1458a_100000188656_100011933945 [0,2,0,0,0,0|2,0,0]=4 9671 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2I 1458a_100000187884_100011933945 [0,2,0,0,0,0|2,0,0]=4 9672 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2O 1458a_100015234032_100011933945 [0,2,0,0,0,0|2,0,0]=4 9673 B19R2.5647 O=C(C[C@@H](O)c1ccccc1)c2ccccc2[O-] 1458a_100009911694_100011933945 [0,2,0,0,0,0|2,0,0]=4 9674 B19R2.8901 CN(CC(C)(C)c1ccccc1)c2ccccc2 269982a_100000210012_100000703224 [0,2,0,0,0,0|2,0,0]=4 9675 B19R2.8901 CN(CC(C)(O)c1ccccc1)c2cccnn2 27a_100011660921_100016991348 [0,2,0,0,0,0|1,0,0]=3 9676 B19R2.8901 CN(CC(C)(O)c1ccccc1)c2ccncn2 27a_100011660921_100000703185 [0,2,0,0,0,0|1,0,0]=3 9677 B19R2.8901 CN(CC(C)(O)c1ccccc1)c2cnccn2 27a_100011660921_100000211759 [0,2,0,0,0,0|1,0,0]=3 9678 B19R2.8901 CN(CC(C)(O)c1ccccc1)c2ncccn2 27a_100011660921_100000211032 [0,2,0,0,0,0|1,0,0]=3 9679 B19R2.8901 CN(CC(F)(F)c1ccccc1)c2ccccc2 269982a_100000210012_100009875531 [0,2,0,0,0,0|2,0,0]=4 9680 B19R2.8901 CN(CC(F)(F)c1ccccc1)c2ccccc2 34a_100000210012_100009875531 [0,2,0,0,0,0|2,0,0]=4 9681 B19R2.21040 CN(C(=O)[C@H](O)c1ccccc1)c2ccccc2 22a_100000210012_100000684486 [0,2,0,0,0,0|1,0,1]=4 9682 B19R2.3397 C#Cc1ccccc1NCC(C)c2ccccc2 34a_100011470550_100000756946 [0,2,0,0,0,0|2,0,0]=4 9683 B19R2.3397 C#Cc1ccccc1NCC(O)c2ccccc2 34a_100011470550_100000185958 [0,2,0,0,0,0|1,0,0]=3 9684 B19R2.3397 C#Cc1ccccc1NC[C@@H](O)c2ccccc2 34a_100011470550_100011933945 [0,2,0,0,0,0|1,0,0]=3 9685 B19R2.3397 C#Cc1ccccc1OCC(O)c2ccccc2 34a_200011470546_100000185958 [0,2,0,0,0,0|2,0,0]=4 9686 B19R2.3397 C#Cc1ccccc1OCC(O)c2ccccc2 7a_200011470546_100000185958 [0,2,0,0,0,0|2,0,0]=4 9687 B19R2.3397 C#Cc1ccccc1OC[C@@H](O)c2ccccc2 34a_200011470546_100011933945 [0,2,0,0,0,0|2,0,0]=4 9688 B19R2.3397 C#Cc1ccccc1OC[C@@H](O)c2ccccc2 7a_200011470546_100011933945 [0,2,0,0,0,0|2,0,0]=4 9689 B19R2.3397 C=Cc1ccccc1NCC(C)c2ccccc2 34a_100012022501_100000756946 [0,2,0,0,0,0|2,0,0]=4 9690 B19R2.3397 C=Cc1ccccc1NCC(O)c2ccccc2 34a_100012022501_100000185958 [0,2,0,0,0,0|1,0,0]=3 9691 B19R2.3397 C=Cc1ccccc1NC[C@@H](O)c2ccccc2 34a_100012022501_100011933945 [0,2,0,0,0,0|1,0,0]=3 9692 B19R2.3397 C=Cc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100011218376 [0,2,0,0,0,0|2,0,0]=4 9693 B19R2.3397 C=Cc1ccccc1SCC(O)c2ccccc2 62a_100011218376_100000185958 [0,2,0,0,0,0|2,0,0]=4 9694 B19R2.3397 C=Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011218376_100011933945 [0,2,0,0,0,0|2,0,0]=4 9695 B19R2.3397 C=Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011218376 [0,2,0,0,0,0|2,0,0]=4 9696 B19R2.3397 CC(CNc1ccccc1C#N)c2ccccc2 34a_100000211148_100000756946 [0,2,0,0,0,0|2,0,0]=4 9697 B19R2.3397 CC(CNc1ccccc1CO)c2ccccc2 34a_100000212039_100000756946 [0,2,0,0,0,0|2,0,0]=4 9698 B19R2.3397 CC(CNc1ncccc1C#N)c2ccccc2 27a_100000701038_100000211984 [0,2,0,0,0,0|1,0,0]=3 9699 B19R2.3397 CC(CNc1nccnc1C#N)c2ccccc2 27a_100000701038_100000040484 [0,2,0,0,0,0|2,0,0]=4 9700 B19R2.3397 CC(CNc1ncncc1C#N)c2ccccc2 27a_100000701038_100000687955 [0,2,0,0,0,0|2,0,0]=4 9701 B19R2.3397 CC(CNc1nnccc1C#N)c2ccccc2 27a_100000701038_100000100742 [0,2,0,0,0,0|2,0,0]=4 9702 B19R2.3397 CC(CSc1ncccc1C#N)c2ccccc2 62a_100000756946_100000211984 [0,2,0,0,0,0|2,0,0]=4 9703 B19R2.3397 CC(CSc1ncccc1C=O)c2ccccc2 62a_100000756946_100009816751 [0,2,0,0,0,0|2,0,0]=4 9704 B19R2.3397 CC(CSc1ncccc1C=O)c2ccccc2 62a_100009816751_100000756946 [0,2,0,0,0,0|2,0,0]=4 9705 B19R2.3397 CC(CSc1ncccc1CN)c2ccccc2 62a_100000756946_100015189234 [0,2,0,0,0,0|2,0,0]=4 9706 B19R2.3397 CC(CSc1ncccc1CN)c2ccccc2 62a_100015189234_100000756946 [0,2,0,0,0,0|2,0,0]=4 9707 B19R2.3397 CC(CSc1ncccc1CO)c2ccccc2 62a_100000748726_100000756946 [0,2,0,0,0,0|2,0,0]=4 9708 B19R2.3397 CC(CSc1ncccc1CO)c2ccccc2 62a_100000756946_100000748726 [0,2,0,0,0,0|2,0,0]=4 9709 B19R2.3397 CCc1ccccc1NCC(C)c2ccccc2 2230a_100000212081_100000756946 [0,2,0,0,0,0|2,0,0]=4 9710 B19R2.3397 CCc1ccccc1NCC(C)c2ccccc2 34a_100000212081_100000756946 [0,2,0,0,0,0|2,0,0]=4 9711 B19R2.3397 CCc1ccccc1NCC(C)c2ccccc2 7a_100000212081_100000756946 [0,2,0,0,0,0|2,0,0]=4 9712 B19R2.3397 CCc1ccccc1NCC(O)c2ccccc2 2230a_100000212081_100000185958 [0,2,0,0,0,0|1,0,0]=3 9713 B19R2.3397 CCc1ccccc1NCC(O)c2ccccc2 34a_100000212081_100000185958 [0,2,0,0,0,0|1,0,0]=3 9714 B19R2.3397 CCc1ccccc1NCC(O)c2ccccc2 7a_100000212081_100000185958 [0,2,0,0,0,0|1,0,0]=3 9715 B19R2.3397 CCc1ccccc1NC[C@@H](O)c2ccccc2 2230a_100000212081_100011933945 [0,2,0,0,0,0|1,0,0]=3 9716 B19R2.3397 CCc1ccccc1NC[C@@H](O)c2ccccc2 34a_100000212081_100011933945 [0,2,0,0,0,0|1,0,0]=3 9717 B19R2.3397 CCc1ccccc1NC[C@@H](O)c2ccccc2 7a_100000212081_100011933945 [0,2,0,0,0,0|1,0,0]=3 9718 B19R2.3397 CCc1ccccc1OCC(O)c2ccccc2 34a_100000210936_100000185958 [0,2,0,0,0,0|2,0,0]=4 9719 B19R2.3397 CCc1ccccc1OCC(O)c2ccccc2 7a_100000210936_100000185958 [0,2,0,0,0,0|2,0,0]=4 9720 B19R2.3397 CCc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000210936_100011933945 [0,2,0,0,0,0|2,0,0]=4 9721 B19R2.3397 CCc1ccccc1OC[C@@H](O)c2ccccc2 7a_100000210936_100011933945 [0,2,0,0,0,0|2,0,0]=4 9722 B19R2.3397 CCc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100011215823 [0,2,0,0,0,0|2,0,0]=4 9723 B19R2.3397 CCc1ccccc1SCC(O)c2ccccc2 62a_100011215823_100000185958 [0,2,0,0,0,0|2,0,0]=4 9724 B19R2.3397 CCc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011215823_100011933945 [0,2,0,0,0,0|2,0,0]=4 9725 B19R2.3397 CCc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011215823 [0,2,0,0,0,0|2,0,0]=4 9726 B19R2.3397 CCc1cncnc1NCC(C)c2ccccc2 27a_100000701038_200000100055 [0,2,0,0,0,0|2,0,0]=4 9727 B19R2.3397 CCc1cncnc1NCC(O)c2ccccc2 27a_100000210709_200000100055 [0,2,0,0,0,0|1,0,0]=3 9728 B19R2.3397 CCc1cncnc1NCC(O)c2ccccn2 27a_100000691469_200000100055 [0,2,0,0,0,0|2,0,0]=4 9729 B19R2.3397 CCc1cncnc1NCC(O)c2cccnc2 27a_100020605170_200000100055 [0,2,0,0,0,0|2,0,0]=4 9730 B19R2.3397 CCc1cncnc1SCC(O)c2ccccc2 62a_100000185958_200000100055 [0,2,0,0,0,0|2,0,0]=4 9731 B19R2.3397 CCc1cncnc1SCC(O)c2ccccc2 62a_200000100055_100000185958 [0,2,0,0,0,0|2,0,0]=4 9732 B19R2.3397 CCc1cncnc1SC[C@@H](O)c2ccccc2 62a_100011933945_200000100055 [0,2,0,0,0,0|2,0,0]=4 9733 B19R2.3397 CCc1cncnc1SC[C@@H](O)c2ccccc2 62a_200000100055_100011933945 [0,2,0,0,0,0|2,0,0]=4 9734 B19R2.3397 CCc1nccnc1NCC(C)c2ccccc2 27a_100000701038_100011995844 [0,2,0,0,0,0|2,0,0]=4 9735 B19R2.3397 CCc1nccnc1NCC(O)c2ccccc2 27a_100000210709_100011995844 [0,2,0,0,0,0|1,0,0]=3 9736 B19R2.3397 CCc1nccnc1NCC(O)c2ccccn2 27a_100000691469_100011995844 [0,2,0,0,0,0|2,0,0]=4 9737 B19R2.3397 CCc1nccnc1NCC(O)c2cccnc2 27a_100020605170_100011995844 [0,2,0,0,0,0|2,0,0]=4 9738 B19R2.3397 CCc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100011995844 [0,2,0,0,0,0|2,0,0]=4 9739 B19R2.3397 CCc1nccnc1SCC(O)c2ccccc2 62a_100011995844_100000185958 [0,2,0,0,0,0|2,0,0]=4 9740 B19R2.3397 CCc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011995844 [0,2,0,0,0,0|2,0,0]=4 9741 B19R2.3397 CCc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011995844_100011933945 [0,2,0,0,0,0|2,0,0]=4 9742 B19R2.3397 CNc1ccccc1OCC(O)c2ccccc2 34a_100000033821_100000185958 [0,2,0,0,0,0|2,0,0]=4 9743 B19R2.3397 CNc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000033821_100011933945 [0,2,0,0,0,0|2,0,0]=4 9744 B19R2.3397 CNc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100020606079 [0,2,0,0,0,0|2,0,0]=4 9745 B19R2.3397 CNc1ccccc1SCC(O)c2ccccc2 62a_100020606079_100000185958 [0,2,0,0,0,0|2,0,0]=4 9746 B19R2.3397 CNc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100020606079 [0,2,0,0,0,0|2,0,0]=4 9747 B19R2.3397 CNc1ccccc1SC[C@@H](O)c2ccccc2 62a_100020606079_100011933945 [0,2,0,0,0,0|2,0,0]=4 9748 B19R2.3397 CNc1cccnc1SCC(C)c2ccccc2 62a_100000756946_200011806188 [0,2,0,0,0,0|2,0,0]=4 9749 B19R2.3397 CNc1cccnc1SCC(O)c2ccccc2 62a_100000185958_200011806188 [0,2,0,0,0,0|1,0,0]=3 9750 B19R2.3397 CNc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_200011806188 [0,2,0,0,0,0|1,0,0]=3 9751 B19R2.3397 CNc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100011529439 [0,2,0,0,0,0|2,0,0]=4 9752 B19R2.3397 CNc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011529439 [0,2,0,0,0,0|2,0,0]=4 9753 B19R2.3397 COc1ccccc1NCC(C)c2ccccc2 34a_100000210025_100000756946 [0,2,0,0,0,0|2,0,0]=4 9754 B19R2.3397 COc1ccccc1NCC(O)c2ccccc2 34a_100000210025_100000185958 [0,2,0,0,0,0|1,0,0]=3 9755 B19R2.3397 COc1ccccc1NC[C@@H](O)c2ccccc2 34a_100000210025_100011933945 [0,2,0,0,0,0|1,0,0]=3 9756 B19R2.3397 COc1ccccc1OCC(O)c2ccccc2 34a_100000210385_100000185958 [0,2,0,0,0,0|2,0,0]=4 9757 B19R2.3397 COc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000210385_100011933945 [0,2,0,0,0,0|2,0,0]=4 9758 B19R2.3397 COc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000210334 [0,2,0,0,0,0|2,0,0]=4 9759 B19R2.3397 COc1ccccc1SCC(O)c2ccccc2 62a_100000210334_100000185958 [0,2,0,0,0,0|2,0,0]=4 9760 B19R2.3397 COc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000210334_100011933945 [0,2,0,0,0,0|2,0,0]=4 9761 B19R2.3397 COc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000210334 [0,2,0,0,0,0|2,0,0]=4 9762 B19R2.3397 COc1cccnc1OCC(C)c2ccccc2 34a_100025773188_100000756946 [0,2,0,0,0,0|2,0,0]=4 9763 B19R2.3397 COc1cccnc1OCC(O)c2ccccc2 34a_100025773188_100000185958 [0,2,0,0,0,0|1,0,0]=3 9764 B19R2.3397 COc1cccnc1OC[C@@H](O)c2ccccc2 34a_100025773188_100011933945 [0,2,0,0,0,0|1,0,0]=3 9765 B19R2.3397 COc1cccnc1SCC(C)c2ccccc2 62a_100000756946_100000690851 [0,2,0,0,0,0|2,0,0]=4 9766 B19R2.3397 COc1cccnc1SCC(C)c2ccccc2 62a_100000767102_100000756946 [0,2,0,0,0,0|2,0,0]=4 9767 B19R2.3397 COc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100000690851 [0,2,0,0,0,0|1,0,0]=3 9768 B19R2.3397 COc1cccnc1SCC(O)c2ccccc2 62a_100000767102_100000185958 [0,2,0,0,0,0|1,0,0]=3 9769 B19R2.3397 COc1cccnc1SC[C@@H](O)c2ccccc2 62a_100000767102_100011933945 [0,2,0,0,0,0|1,0,0]=3 9770 B19R2.3397 COc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000690851 [0,2,0,0,0,0|1,0,0]=3 9771 B19R2.3397 COc1cncnc1NCC(C)c2ccccc2 27a_100000701038_100012001275 [0,2,0,0,0,0|2,0,0]=4 9772 B19R2.3397 COc1cncnc1NCC(O)c2ccccc2 27a_100000210709_100012001275 [0,2,0,0,0,0|1,0,0]=3 9773 B19R2.3397 COc1cncnc1NCC(O)c2ccccn2 27a_100000691469_100012001275 [0,2,0,0,0,0|2,0,0]=4 9774 B19R2.3397 COc1cncnc1NCC(O)c2cccnc2 27a_100020605170_100012001275 [0,2,0,0,0,0|2,0,0]=4 9775 B19R2.3397 COc1cncnc1SCC(O)c2ccccc2 62a_100000185958_100012001275 [0,2,0,0,0,0|2,0,0]=4 9776 B19R2.3397 COc1cncnc1SCC(O)c2ccccc2 62a_100012001275_100000185958 [0,2,0,0,0,0|2,0,0]=4 9777 B19R2.3397 COc1cncnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100012001275 [0,2,0,0,0,0|2,0,0]=4 9778 B19R2.3397 COc1cncnc1SC[C@@H](O)c2ccccc2 62a_100012001275_100011933945 [0,2,0,0,0,0|2,0,0]=4 9779 B19R2.3397 COc1nccnc1NCC(C)c2ccccc2 27a_100000701038_100009858322 [0,2,0,0,0,0|2,0,0]=4 9780 B19R2.3397 COc1nccnc1NCC(O)c2ccccc2 27a_100000210709_100009858322 [0,2,0,0,0,0|1,0,0]=3 9781 B19R2.3397 COc1nccnc1NCC(O)c2ccccn2 27a_100000691469_100009858322 [0,2,0,0,0,0|2,0,0]=4 9782 B19R2.3397 COc1nccnc1NCC(O)c2cccnc2 27a_100020605170_100009858322 [0,2,0,0,0,0|2,0,0]=4 9783 B19R2.3397 COc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000749998 [0,2,0,0,0,0|2,0,0]=4 9784 B19R2.3397 COc1nccnc1SCC(O)c2ccccc2 62a_100009858322_100000185958 [0,2,0,0,0,0|2,0,0]=4 9785 B19R2.3397 COc1nccnc1SC[C@@H](O)c2ccccc2 62a_100009858322_100011933945 [0,2,0,0,0,0|2,0,0]=4 9786 B19R2.3397 COc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000749998 [0,2,0,0,0,0|2,0,0]=4 9787 B19R2.3397 CSc1ccccc1NCC(C)c2ccccc2 34a_100000211160_100000756946 [0,2,0,0,0,0|2,0,0]=4 9788 B19R2.3397 CSc1ccccc1NCC(O)c2ccccc2 34a_100000211160_100000185958 [0,2,0,0,0,0|1,0,0]=3 9789 B19R2.3397 CSc1ccccc1NC[C@@H](O)c2ccccc2 34a_100000211160_100011933945 [0,2,0,0,0,0|1,0,0]=3 9790 B19R2.3397 CSc1ccccc1OCC(O)c2ccccc2 34a_100011216402_100000185958 [0,2,0,0,0,0|2,0,0]=4 9791 B19R2.3397 CSc1ccccc1OC[C@@H](O)c2ccccc2 34a_100011216402_100011933945 [0,2,0,0,0,0|2,0,0]=4 9792 B19R2.3397 CSc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100011217816 [0,2,0,0,0,0|2,0,0]=4 9793 B19R2.3397 CSc1ccccc1SCC(O)c2ccccc2 62a_100011217816_100000185958 [0,2,0,0,0,0|2,0,0]=4 9794 B19R2.3397 CSc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011217816_100011933945 [0,2,0,0,0,0|2,0,0]=4 9795 B19R2.3397 CSc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100011217816 [0,2,0,0,0,0|2,0,0]=4 9796 B19R2.3397 N#Cc1ccccc1NCC(O)c2ccccc2 34a_100000211148_100000185958 [0,2,0,0,0,0|1,0,0]=3 9797 B19R2.3397 N#Cc1ccccc1NC[C@@H](O)c2ccccc2 34a_100000211148_100011933945 [0,2,0,0,0,0|1,0,0]=3 9798 B19R2.3397 N#Cc1ccccc1OCC(O)c2ccccc2 34a_100000211048_100000185958 [0,2,0,0,0,0|2,0,0]=4 9799 B19R2.3397 N#Cc1ccccc1OCC(O)c2ccccc2 7a_100000211048_100000185958 [0,2,0,0,0,0|2,0,0]=4 9800 B19R2.3397 N#Cc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000211048_100011933945 [0,2,0,0,0,0|2,0,0]=4 9801 B19R2.3397 N#Cc1ccccc1OC[C@@H](O)c2ccccc2 7a_100000211048_100011933945 [0,2,0,0,0,0|2,0,0]=4 9802 B19R2.3397 N#Cc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000188569 [0,2,0,0,0,0|2,0,0]=4 9803 B19R2.3397 N#Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000188569 [0,2,0,0,0,0|2,0,0]=4 9804 B19R2.3397 N#Cc1cccnc1NCC(O)c2ccccc2 27a_100000210709_100000211984 [0,2,0,0,0,0|0,0,0]=2 9805 B19R2.3397 N#Cc1cccnc1NCC(O)c2ccccn2 27a_100000691469_100000211984 [0,2,0,0,0,0|1,0,0]=3 9806 B19R2.3397 N#Cc1cccnc1NCC(O)c2cccnc2 27a_100020605170_100000211984 [0,2,0,0,0,0|1,0,0]=3 9807 B19R2.3397 N#Cc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100000211984 [0,2,0,0,0,0|1,0,0]=3 9808 B19R2.3397 N#Cc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000211984 [0,2,0,0,0,0|1,0,0]=3 9809 B19R2.3397 N#Cc1ccncc1NCC(O)c2ccccc2 27a_100000210709_100000684818 [0,2,0,0,0,0|2,0,0]=4 9810 B19R2.3397 N#Cc1ccnnc1NCC(O)c2ccccc2 27a_100000210709_100000100742 [0,2,0,0,0,0|1,0,0]=3 9811 B19R2.3397 N#Cc1ccnnc1NCC(O)c2ccccn2 27a_100000691469_100000100742 [0,2,0,0,0,0|2,0,0]=4 9812 B19R2.3397 N#Cc1ccnnc1NCC(O)c2cccnc2 27a_100020605170_100000100742 [0,2,0,0,0,0|2,0,0]=4 9813 B19R2.3397 N#Cc1ccnnc1SCC(O)c2ccccc2 62a_100000185958_100000100742 [0,2,0,0,0,0|2,0,0]=4 9814 B19R2.3397 N#Cc1ccnnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000100742 [0,2,0,0,0,0|2,0,0]=4 9815 B19R2.3397 N#Cc1cnccc1NCC(O)c2ccccc2 27a_100000210709_100000687039 [0,2,0,0,0,0|2,0,0]=4 9816 B19R2.3397 N#Cc1cncnc1NCC(O)c2ccccc2 27a_100000210709_100000687955 [0,2,0,0,0,0|1,0,0]=3 9817 B19R2.3397 N#Cc1cncnc1NCC(O)c2ccccn2 27a_100000691469_100000687955 [0,2,0,0,0,0|2,0,0]=4 9818 B19R2.3397 N#Cc1cncnc1NCC(O)c2cccnc2 27a_100020605170_100000687955 [0,2,0,0,0,0|2,0,0]=4 9819 B19R2.3397 N#Cc1cncnc1SCC(O)c2ccccc2 62a_100000185958_100000687955 [0,2,0,0,0,0|2,0,0]=4 9820 B19R2.3397 N#Cc1cncnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000687955 [0,2,0,0,0,0|2,0,0]=4 9821 B19R2.3397 N#Cc1nccnc1NCC(O)c2ccccc2 27a_100000210709_100000040484 [0,2,0,0,0,0|1,0,0]=3 9822 B19R2.3397 N#Cc1nccnc1NCC(O)c2ccccn2 27a_100000691469_100000040484 [0,2,0,0,0,0|2,0,0]=4 9823 B19R2.3397 N#Cc1nccnc1NCC(O)c2cccnc2 27a_100020605170_100000040484 [0,2,0,0,0,0|2,0,0]=4 9824 B19R2.3397 N#Cc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000040484 [0,2,0,0,0,0|2,0,0]=4 9825 B19R2.3397 N#Cc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000040484 [0,2,0,0,0,0|2,0,0]=4 9826 B19R2.3397 NCc1ccccc1OCC(O)c2ccccc2 34a_100000185550_100000185958 [0,2,0,0,0,0|2,0,0]=4 9827 B19R2.3397 NCc1ccccc1OC[C@@H](O)c2ccccc2 34a_100000185550_100011933945 [0,2,0,0,0,0|2,0,0]=4 9828 B19R2.3397 NCc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000689332 [0,2,0,0,0,0|2,0,0]=4 9829 B19R2.3397 NCc1ccccc1SCC(O)c2ccccc2 62a_100000689332_100000185958 [0,2,0,0,0,0|2,0,0]=4 9830 B19R2.3397 NCc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000689332_100011933945 [0,2,0,0,0,0|2,0,0]=4 9831 B19R2.3397 NCc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000689332 [0,2,0,0,0,0|2,0,0]=4 9832 B19R2.3397 NCc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100015189234 [0,2,0,0,0,0|1,0,0]=3 9833 B19R2.3397 NCc1cccnc1SCC(O)c2ccccc2 62a_100015189234_100000185958 [0,2,0,0,0,0|1,0,0]=3 9834 B19R2.3397 NCc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100015189234 [0,2,0,0,0,0|1,0,0]=3 9835 B19R2.3397 NCc1cccnc1SC[C@@H](O)c2ccccc2 62a_100015189234_100011933945 [0,2,0,0,0,0|1,0,0]=3 9836 B19R2.3397 NCc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000729963 [0,2,0,0,0,0|2,0,0]=4 9837 B19R2.3397 NCc1nccnc1SCC(O)c2ccccc2 62a_100000729963_100000185958 [0,2,0,0,0,0|2,0,0]=4 9838 B19R2.3397 NCc1nccnc1SC[C@@H](O)c2ccccc2 62a_100000729963_100011933945 [0,2,0,0,0,0|2,0,0]=4 9839 B19R2.3397 NCc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000729963 [0,2,0,0,0,0|2,0,0]=4 9840 B19R2.3397 NNc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000241748 [0,2,0,0,0,0|2,0,0]=4 9841 B19R2.3397 NNc1ccccc1SCC(O)c2ccccc2 62a_100000241748_100000185958 [0,2,0,0,0,0|2,0,0]=4 9842 B19R2.3397 NNc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000241748_100011933945 [0,2,0,0,0,0|2,0,0]=4 9843 B19R2.3397 NNc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000241748 [0,2,0,0,0,0|2,0,0]=4 9844 B19R2.3397 NNc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000755098 [0,2,0,0,0,0|2,0,0]=4 9845 B19R2.3397 NNc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000755098 [0,2,0,0,0,0|2,0,0]=4 9846 B19R2.3397 O=Cc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000210073 [0,2,0,0,0,0|2,0,0]=4 9847 B19R2.3397 O=Cc1ccccc1SCC(O)c2ccccc2 62a_100000210073_100000185958 [0,2,0,0,0,0|2,0,0]=4 9848 B19R2.3397 O=Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000210073_100011933945 [0,2,0,0,0,0|2,0,0]=4 9849 B19R2.3397 O=Cc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000210073 [0,2,0,0,0,0|2,0,0]=4 9850 B19R2.3397 O=Cc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100009816751 [0,2,0,0,0,0|1,0,0]=3 9851 B19R2.3397 O=Cc1cccnc1SCC(O)c2ccccc2 62a_100009816751_100000185958 [0,2,0,0,0,0|1,0,0]=3 9852 B19R2.3397 O=Cc1cccnc1SC[C@@H](O)c2ccccc2 62a_100009816751_100011933945 [0,2,0,0,0,0|1,0,0]=3 9853 B19R2.3397 O=Cc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100009816751 [0,2,0,0,0,0|1,0,0]=3 9854 B19R2.3397 O=Cc1nccnc1SCC(O)c2ccccc2 62a_100000051000_100000185958 [0,2,0,0,0,0|2,0,0]=4 9855 B19R2.3397 O=Cc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000051000 [0,2,0,0,0,0|2,0,0]=4 9856 B19R2.3397 O=Cc1nccnc1SC[C@@H](O)c2ccccc2 62a_100000051000_100011933945 [0,2,0,0,0,0|2,0,0]=4 9857 B19R2.3397 O=Cc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000051000 [0,2,0,0,0,0|2,0,0]=4 9858 B19R2.3397 OCc1ccccc1NCC(O)c2ccccc2 34a_100000212039_100000185958 [0,2,0,0,0,0|1,0,0]=3 9859 B19R2.3397 OCc1ccccc1NC[C@@H](O)c2ccccc2 34a_100000212039_100011933945 [0,2,0,0,0,0|1,0,0]=3 9860 B19R2.3397 OCc1ccccc1OCC(O)c2ccccc2 34a_100011216872_100000185958 [0,2,0,0,0,0|2,0,0]=4 9861 B19R2.3397 OCc1ccccc1OC[C@@H](O)c2ccccc2 34a_100011216872_100011933945 [0,2,0,0,0,0|2,0,0]=4 9862 B19R2.3397 OCc1ccccc1SCC(O)c2ccccc2 62a_100000185958_100000187465 [0,2,0,0,0,0|2,0,0]=4 9863 B19R2.3397 OCc1ccccc1SCC(O)c2ccccc2 62a_100000187465_100000185958 [0,2,0,0,0,0|2,0,0]=4 9864 B19R2.3397 OCc1ccccc1SC[C@@H](O)c2ccccc2 62a_100000187465_100011933945 [0,2,0,0,0,0|2,0,0]=4 9865 B19R2.3397 OCc1ccccc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000187465 [0,2,0,0,0,0|2,0,0]=4 9866 B19R2.3397 OCc1cccnc1SCC(O)c2ccccc2 62a_100000185958_100000748726 [0,2,0,0,0,0|1,0,0]=3 9867 B19R2.3397 OCc1cccnc1SCC(O)c2ccccc2 62a_100000748726_100000185958 [0,2,0,0,0,0|1,0,0]=3 9868 B19R2.3397 OCc1cccnc1SC[C@@H](O)c2ccccc2 62a_100000748726_100011933945 [0,2,0,0,0,0|1,0,0]=3 9869 B19R2.3397 OCc1cccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000748726 [0,2,0,0,0,0|1,0,0]=3 9870 B19R2.3397 OCc1cnccc1NCC(O)c2ccccc2 27a_100000210709_100000117392 [0,2,0,0,0,0|2,0,0]=4 9871 B19R2.3397 OCc1nccnc1SCC(O)c2ccccc2 62a_100000057004_100000185958 [0,2,0,0,0,0|2,0,0]=4 9872 B19R2.3397 OCc1nccnc1SCC(O)c2ccccc2 62a_100000185958_100000057004 [0,2,0,0,0,0|2,0,0]=4 9873 B19R2.3397 OCc1nccnc1SC[C@@H](O)c2ccccc2 62a_100000057004_100011933945 [0,2,0,0,0,0|2,0,0]=4 9874 B19R2.3397 OCc1nccnc1SC[C@@H](O)c2ccccc2 62a_100011933945_100000057004 [0,2,0,0,0,0|2,0,0]=4 9875 B19R2.4409 CC(CNc1cccc(c1Br)F)c2ccccc2 34a_100011934729_100000756946 [0,2,0,0,0,0|2,0,0]=4 9876 B19R2.4409 CC(CNc1cccc(c1Br)O)c2ccccc2 34a_100012183704_100000756946 [0,2,0,0,0,0|2,0,0]=4 9877 B19R2.4409 CC(CNc1cccc(c1Br)O)c2ccccc2 7a_100012183704_100000756946 [0,2,0,0,0,0|2,0,0]=4 9878 B19R2.4409 CC(CNc1cccc(c1Cl)F)c2ccccc2 34a_100000692321_100000756946 [0,2,0,0,0,0|2,0,0]=4 9879 B19R2.4409 CC(CNc1cccc(c1Cl)O)c2ccccc2 34a_100012002038_100000756946 [0,2,0,0,0,0|2,0,0]=4 9880 B19R2.4409 CC(CNc1cccc(c1Cl)O)c2ccccc2 7a_100012002038_100000756946 [0,2,0,0,0,0|2,0,0]=4 9881 B19R2.4409 CC(CNc1cccc(c1F)Br)c2ccccc2 2230a_100011935091_100000756946 [0,2,0,0,0,0|2,0,0]=4 9882 B19R2.4409 CC(CNc1cccc(c1F)Br)c2ccccc2 34a_100011935091_100000756946 [0,2,0,0,0,0|2,0,0]=4 9883 B19R2.4409 CC(CNc1cccc(c1F)Cl)c2ccccc2 2230a_100000199060_100000756946 [0,2,0,0,0,0|2,0,0]=4 9884 B19R2.4409 CC(CNc1cccc(c1F)Cl)c2ccccc2 34a_100000199060_100000756946 [0,2,0,0,0,0|2,0,0]=4 9885 B19R2.4409 CC(CNc1cccc(c1F)F)c2ccccc2 34a_100000743855_100000756946 [0,2,0,0,0,0|2,0,0]=4 9886 B19R2.4409 CC(CNc1cccc(c1I)F)c2ccccc2 34a_100000690935_100000756946 [0,2,0,0,0,0|2,0,0]=4 9887 B19R2.4409 CC(CNc1cccc(c1O)Br)c2ccccc2 34a_100011934915_100000756946 [0,2,0,0,0,0|2,0,0]=4 9888 B19R2.4409 CC(CNc1cccc(c1O)Cl)c2ccccc2 34a_100000754742_100000756946 [0,2,0,0,0,0|2,0,0]=4 9889 B19R2.4409 CC(CNc1cccc(c1O)F)c2ccccc2 34a_100011934987_100000756946 [0,2,0,0,0,0|2,0,0]=4 9890 B19R2.4409 CC(CNc1ncnc(c1F)N)c2ccccc2 27a_100000701038_100000126652 [0,2,0,0,0,0|2,0,0]=4 9891 B19R2.4409 CC(COc1nccc(c1Cl)N)c2ccccc2 34a_200000093555_100000756946 [0,2,0,0,0,0|2,0,0]=4 9892 B19R2.4409 CC(CSc1nccc(c1F)N)c2ccccc2 62a_100000756946_100015205195 [0,2,0,0,0,0|2,0,0]=4 9893 B19R2.4409 CC(CSc1nccc(c1F)N)c2ccccc2 62a_100015205195_100000756946 [0,2,0,0,0,0|2,0,0]=4 9894 B19R2.4409 CC(CSc1nccc(c1F)O)c2ccccc2 62a_100000756946_100009876375 [0,2,0,0,0,0|2,0,0]=4 9895 B19R2.4409 CC(CSc1nccc(c1F)O)c2ccccc2 62a_100009876375_100000756946 [0,2,0,0,0,0|2,0,0]=4 9896 B19R2.4409 CC(CSc1nccc(c1N)N)c2ccccc2 62a_100000085203_100000756946 [0,2,0,0,0,0|2,0,0]=4 9897 B19R2.4409 CC(CSc1nccc(c1N)N)c2ccccc2 62a_100000756946_100000085203 [0,2,0,0,0,0|2,0,0]=4 9898 B19R2.4409 CC(CSc1nccc(c1O)F)c2ccccc2 62a_100000756946_100009867227 [0,2,0,0,0,0|2,0,0]=4 9899 B19R2.4409 CC(CSc1nccc(c1O)N)c2ccccc2 62a_100000756946_100009844647 [0,2,0,0,0,0|2,0,0]=4 9900 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)Br 34a_100000750434_100000756946 [0,2,0,0,0,0|2,0,0]=4 9901 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)Cl 2230a_100000210441_100000756946 [0,2,0,0,0,0|2,0,0]=4 9902 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)Cl 34a_100000210441_100000756946 [0,2,0,0,0,0|2,0,0]=4 9903 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)Cl 7a_100000210441_100000756946 [0,2,0,0,0,0|2,0,0]=4 9904 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)F 34a_100000745574_100000756946 [0,2,0,0,0,0|2,0,0]=4 9905 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)F 7a_100000745574_100000756946 [0,2,0,0,0,0|2,0,0]=4 9906 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)I 34a_100000761887_100000756946 [0,2,0,0,0,0|2,0,0]=4 9907 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)O 34a_100011216573_100000756946 [0,2,0,0,0,0|2,0,0]=4 9908 B19R2.4409 Cc1c(cccc1NCC(C)c2ccccc2)O 7a_100011216573_100000756946 [0,2,0,0,0,0|2,0,0]=4 9909 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)Br 34a_100000750434_100000185958 [0,2,0,0,0,0|1,0,0]=3 9910 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)Cl 2230a_100000210441_100000185958 [0,2,0,0,0,0|1,0,0]=3 9911 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)Cl 34a_100000210441_100000185958 [0,2,0,0,0,0|1,0,0]=3 9912 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)Cl 7a_100000210441_100000185958 [0,2,0,0,0,0|1,0,0]=3 9913 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)F 34a_100000745574_100000185958 [0,2,0,0,0,0|1,0,0]=3 9914 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)F 7a_100000745574_100000185958 [0,2,0,0,0,0|1,0,0]=3 9915 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)I 34a_100000761887_100000185958 [0,2,0,0,0,0|1,0,0]=3 9916 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)O 34a_100011216573_100000185958 [0,2,0,0,0,0|1,0,0]=3 9917 B19R2.4409 Cc1c(cccc1NCC(O)c2ccccc2)O 7a_100011216573_100000185958 [0,2,0,0,0,0|1,0,0]=3 9918 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)Br 34a_100000750434_100011933945 [0,2,0,0,0,0|1,0,0]=3 9919 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)Cl 2230a_100000210441_100011933945 [0,2,0,0,0,0|1,0,0]=3 9920 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)Cl 34a_100000210441_100011933945 [0,2,0,0,0,0|1,0,0]=3 9921 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)Cl 7a_100000210441_100011933945 [0,2,0,0,0,0|1,0,0]=3 9922 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)F 34a_100000745574_100011933945 [0,2,0,0,0,0|1,0,0]=3 9923 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)F 7a_100000745574_100011933945 [0,2,0,0,0,0|1,0,0]=3 9924 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)I 34a_100000761887_100011933945 [0,2,0,0,0,0|1,0,0]=3 9925 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)O 34a_100011216573_100011933945 [0,2,0,0,0,0|1,0,0]=3 9926 B19R2.4409 Cc1c(cccc1NC[C@@H](O)c2ccccc2)O 7a_100011216573_100011933945 [0,2,0,0,0,0|1,0,0]=3 9927 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)Br 34a_100012002258_100000185958 [0,2,0,0,0,0|2,0,0]=4 9928 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)Br 7a_100012002258_100000185958 [0,2,0,0,0,0|2,0,0]=4 9929 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)Cl 34a_100011265684_100000185958 [0,2,0,0,0,0|2,0,0]=4 9930 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)Cl 7a_100011265684_100000185958 [0,2,0,0,0,0|2,0,0]=4 9931 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)F 34a_100011217231_100000185958 [0,2,0,0,0,0|2,0,0]=4 9932 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)F 7a_100011217231_100000185958 [0,2,0,0,0,0|2,0,0]=4 9933 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)N 34a_100011216573_100000185958 [0,2,0,0,0,0|2,0,0]=4 9934 B19R2.4409 Cc1c(cccc1OCC(O)c2ccccc2)N 7a_100011216573_100000185958 [0,2,0,0,0,0|2,0,0]=4 9935 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)Br 34a_100012002258_100011933945 [0,2,0,0,0,0|2,0,0]=4 9936 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)Br 7a_100012002258_100011933945 [0,2,0,0,0,0|2,0,0]=4 9937 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)Cl 34a_100011265684_100011933945 [0,2,0,0,0,0|2,0,0]=4 9938 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)Cl 7a_100011265684_100011933945 [0,2,0,0,0,0|2,0,0]=4 9939 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)F 34a_100011217231_100011933945 [0,2,0,0,0,0|2,0,0]=4 9940 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)F 7a_100011217231_100011933945 [0,2,0,0,0,0|2,0,0]=4 9941 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)N 34a_100011216573_100011933945 [0,2,0,0,0,0|2,0,0]=4 9942 B19R2.4409 Cc1c(cccc1OC[C@@H](O)c2ccccc2)N 7a_100011216573_100011933945 [0,2,0,0,0,0|2,0,0]=4 9943 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)Br 62a_100000185958_100012353703 [0,2,0,0,0,0|2,0,0]=4 9944 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)Br 62a_100012353703_100000185958 [0,2,0,0,0,0|2,0,0]=4 9945 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)Cl 62a_100000185958_100000726075 [0,2,0,0,0,0|2,0,0]=4 9946 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)Cl 62a_100000726075_100000185958 [0,2,0,0,0,0|2,0,0]=4 9947 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)F 62a_100000185958_100011216893 [0,2,0,0,0,0|2,0,0]=4 9948 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)F 62a_100011216893_100000185958 [0,2,0,0,0,0|2,0,0]=4 9949 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)N 62a_100000185958_100000761887 [0,2,0,0,0,0|2,0,0]=4 9950 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)N 62a_100000761887_100000185958 [0,2,0,0,0,0|2,0,0]=4 9951 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)O 62a_100000185958_100012002258 [0,2,0,0,0,0|2,0,0]=4 9952 B19R2.4409 Cc1c(cccc1SCC(O)c2ccccc2)O 62a_100012002258_100000185958 [0,2,0,0,0,0|2,0,0]=4 9953 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100012353703 [0,2,0,0,0,0|2,0,0]=4 9954 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)Br 62a_100012353703_100011933945 [0,2,0,0,0,0|2,0,0]=4 9955 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)Cl 62a_100000726075_100011933945 [0,2,0,0,0,0|2,0,0]=4 9956 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000726075 [0,2,0,0,0,0|2,0,0]=4 9957 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)F 62a_100011216893_100011933945 [0,2,0,0,0,0|2,0,0]=4 9958 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100011216893 [0,2,0,0,0,0|2,0,0]=4 9959 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)N 62a_100000761887_100011933945 [0,2,0,0,0,0|2,0,0]=4 9960 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000761887 [0,2,0,0,0,0|2,0,0]=4 9961 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100012002258 [0,2,0,0,0,0|2,0,0]=4 9962 B19R2.4409 Cc1c(cccc1SC[C@@H](O)c2ccccc2)O 62a_100012002258_100011933945 [0,2,0,0,0,0|2,0,0]=4 9963 B19R2.4409 Cc1c(ccnc1F)NCC(O)c2ccccc2 27a_100000210709_100010006593 [0,2,0,0,0,0|2,0,0]=4 9964 B19R2.4409 Cc1c(ccnc1NCC(C)c2ccccc2)F 27a_100000701038_100009846374 [0,2,0,0,0,0|1,0,0]=3 9965 B19R2.4409 Cc1c(ccnc1NCC(O)c2ccccc2)F 27a_100000210709_100009846374 [0,2,0,0,0,0|0,0,0]=2 9966 B19R2.4409 Cc1c(ccnc1NCC(O)c2ccccn2)F 27a_100000691469_100009846374 [0,2,0,0,0,0|1,0,0]=3 9967 B19R2.4409 Cc1c(ccnc1NCC(O)c2cccnc2)F 27a_100020605170_100009846374 [0,2,0,0,0,0|1,0,0]=3 9968 B19R2.4409 Cc1c(ccnc1OCC(C)c2ccccc2)Br 34a_100009858498_100000756946 [0,2,0,0,0,0|2,0,0]=4 9969 B19R2.4409 Cc1c(ccnc1OCC(O)c2ccccc2)Br 34a_100009858498_100000185958 [0,2,0,0,0,0|1,0,0]=3 9970 B19R2.4409 Cc1c(ccnc1OC[C@@H](O)c2ccccc2)Br 34a_100009858498_100011933945 [0,2,0,0,0,0|1,0,0]=3 9971 B19R2.4409 Cc1c(ccnc1SCC(C)c2ccccc2)F 62a_100000756946_100009846374 [0,2,0,0,0,0|2,0,0]=4 9972 B19R2.4409 Cc1c(ccnc1SCC(C)c2ccccc2)F 62a_100009846374_100000756946 [0,2,0,0,0,0|2,0,0]=4 9973 B19R2.4409 Cc1c(ccnc1SCC(C)c2ccccc2)N 62a_100000690622_100000756946 [0,2,0,0,0,0|2,0,0]=4 9974 B19R2.4409 Cc1c(ccnc1SCC(C)c2ccccc2)N 62a_100000756946_100000690622 [0,2,0,0,0,0|2,0,0]=4 9975 B19R2.4409 Cc1c(ccnc1SCC(O)c2ccccc2)F 62a_100000185958_100009846374 [0,2,0,0,0,0|1,0,0]=3 9976 B19R2.4409 Cc1c(ccnc1SCC(O)c2ccccc2)F 62a_100009846374_100000185958 [0,2,0,0,0,0|1,0,0]=3 9977 B19R2.4409 Cc1c(ccnc1SCC(O)c2ccccc2)N 62a_100000185958_100000690622 [0,2,0,0,0,0|1,0,0]=3 9978 B19R2.4409 Cc1c(ccnc1SCC(O)c2ccccc2)N 62a_100000690622_100000185958 [0,2,0,0,0,0|1,0,0]=3 9979 B19R2.4409 Cc1c(ccnc1SC[C@@H](O)c2ccccc2)F 62a_100009846374_100011933945 [0,2,0,0,0,0|1,0,0]=3 9980 B19R2.4409 Cc1c(ccnc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009846374 [0,2,0,0,0,0|1,0,0]=3 9981 B19R2.4409 Cc1c(ccnc1SC[C@@H](O)c2ccccc2)N 62a_100000690622_100011933945 [0,2,0,0,0,0|1,0,0]=3 9982 B19R2.4409 Cc1c(ccnc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000690622 [0,2,0,0,0,0|1,0,0]=3 9983 B19R2.4409 Cc1c(cnnc1SCC(O)c2ccccc2)N 62a_100000185958_200011012966 [0,2,0,0,0,0|2,0,0]=4 9984 B19R2.4409 Cc1c(cnnc1SCC(O)c2ccccc2)N 62a_200011012966_100000185958 [0,2,0,0,0,0|2,0,0]=4 9985 B19R2.4409 Cc1c(cnnc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_200011012966 [0,2,0,0,0,0|2,0,0]=4 9986 B19R2.4409 Cc1c(cnnc1SC[C@@H](O)c2ccccc2)N 62a_200011012966_100011933945 [0,2,0,0,0,0|2,0,0]=4 9987 B19R2.4409 Cc1c(ncnc1NCC(C)c2ccccc2)N 27a_100000701038_100011913465 [0,2,0,0,0,0|2,0,0]=4 9988 B19R2.4409 Cc1c(ncnc1NCC(C)c2ccccc2)O 27a_100000701038_100011912821 [0,2,0,0,0,0|2,0,0]=4 9989 B19R2.4409 Cc1c(ncnc1NCC(O)c2ccccc2)N 27a_100000210709_100011913465 [0,2,0,0,0,0|1,0,0]=3 9990 B19R2.4409 Cc1c(ncnc1NCC(O)c2ccccc2)O 27a_100000210709_100011912821 [0,2,0,0,0,0|1,0,0]=3 9991 B19R2.4409 Cc1c(ncnc1NCC(O)c2ccccn2)N 27a_100000691469_100011913465 [0,2,0,0,0,0|2,0,0]=4 9992 B19R2.4409 Cc1c(ncnc1NCC(O)c2ccccn2)O 27a_100000691469_100011912821 [0,2,0,0,0,0|2,0,0]=4 9993 B19R2.4409 Cc1c(ncnc1NCC(O)c2cccnc2)N 27a_100020605170_100011913465 [0,2,0,0,0,0|2,0,0]=4 9994 B19R2.4409 Cc1c(ncnc1NCC(O)c2cccnc2)O 27a_100020605170_100011912821 [0,2,0,0,0,0|2,0,0]=4 9995 B19R2.4409 Cc1c(ncnc1OCC(O)c2ccccc2)Cl 34a_100011912821_100000185958 [0,2,0,0,0,0|2,0,0]=4 9996 B19R2.4409 Cc1c(ncnc1OC[C@@H](O)c2ccccc2)Cl 34a_100011912821_100011933945 [0,2,0,0,0,0|2,0,0]=4 9997 B19R2.4409 Cc1c(ncnc1SCC(O)c2ccccc2)N 62a_100000185958_100011913465 [0,2,0,0,0,0|2,0,0]=4 9998 B19R2.4409 Cc1c(ncnc1SCC(O)c2ccccc2)N 62a_100011913465_100000185958 [0,2,0,0,0,0|2,0,0]=4 9999 B19R2.4409 Cc1c(ncnc1SCC(O)c2ccccc2)O 62a_100000185958_100011912821 [0,2,0,0,0,0|2,0,0]=4 10000 B19R2.4409 Cc1c(ncnc1SC[C@@H](O)c2ccccc2)N 62a_100011913465_100011933945 [0,2,0,0,0,0|2,0,0]=4 10001 B19R2.4409 Cc1c(ncnc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100011913465 [0,2,0,0,0,0|2,0,0]=4 10002 B19R2.4409 Cc1c(ncnc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011912821 [0,2,0,0,0,0|2,0,0]=4 10003 B19R2.4409 Cc1cccc(c1Br)NCC(C)c2ccccc2 34a_100000684715_100000756946 [0,2,0,0,0,0|2,0,0]=4 10004 B19R2.4409 Cc1cccc(c1Br)NCC(O)c2ccccc2 34a_100000684715_100000185958 [0,2,0,0,0,0|1,0,0]=3 10005 B19R2.4409 Cc1cccc(c1Br)NC[C@@H](O)c2ccccc2 34a_100000684715_100011933945 [0,2,0,0,0,0|1,0,0]=3 10006 B19R2.4409 Cc1cccc(c1Br)OCC(O)c2ccccc2 34a_100000686692_100000185958 [0,2,0,0,0,0|2,0,0]=4 10007 B19R2.4409 Cc1cccc(c1Br)OCC(O)c2ccccc2 7a_100000686692_100000185958 [0,2,0,0,0,0|2,0,0]=4 10008 B19R2.4409 Cc1cccc(c1Br)OC[C@@H](O)c2ccccc2 34a_100000686692_100011933945 [0,2,0,0,0,0|2,0,0]=4 10009 B19R2.4409 Cc1cccc(c1Br)OC[C@@H](O)c2ccccc2 7a_100000686692_100011933945 [0,2,0,0,0,0|2,0,0]=4 10010 B19R2.4409 Cc1cccc(c1Br)SCC(O)c2ccccc2 62a_100000185958_100012362457 [0,2,0,0,0,0|2,0,0]=4 10011 B19R2.4409 Cc1cccc(c1Br)SCC(O)c2ccccc2 62a_100012362457_100000185958 [0,2,0,0,0,0|2,0,0]=4 10012 B19R2.4409 Cc1cccc(c1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100012362457 [0,2,0,0,0,0|2,0,0]=4 10013 B19R2.4409 Cc1cccc(c1Br)SC[C@@H](O)c2ccccc2 62a_100012362457_100011933945 [0,2,0,0,0,0|2,0,0]=4 10014 B19R2.4409 Cc1cccc(c1C)NCC(C)c2ccccc2 2230a_100000210026_100000756946 [0,2,0,0,0,0|2,0,0]=4 10015 B19R2.4409 Cc1cccc(c1C)NCC(C)c2ccccc2 34a_100000210026_100000756946 [0,2,0,0,0,0|2,0,0]=4 10016 B19R2.4409 Cc1cccc(c1C)NCC(C)c2ccccc2 7a_100000210026_100000756946 [0,2,0,0,0,0|2,0,0]=4 10017 B19R2.4409 Cc1cccc(c1C)NCC(O)c2ccccc2 2230a_100000210026_100000185958 [0,2,0,0,0,0|1,0,0]=3 10018 B19R2.4409 Cc1cccc(c1C)NCC(O)c2ccccc2 34a_100000210026_100000185958 [0,2,0,0,0,0|1,0,0]=3 10019 B19R2.4409 Cc1cccc(c1C)NCC(O)c2ccccc2 7a_100000210026_100000185958 [0,2,0,0,0,0|1,0,0]=3 10020 B19R2.4409 Cc1cccc(c1C)NC[C@@H](O)c2ccccc2 2230a_100000210026_100011933945 [0,2,0,0,0,0|1,0,0]=3 10021 B19R2.4409 Cc1cccc(c1C)NC[C@@H](O)c2ccccc2 34a_100000210026_100011933945 [0,2,0,0,0,0|1,0,0]=3 10022 B19R2.4409 Cc1cccc(c1C)NC[C@@H](O)c2ccccc2 7a_100000210026_100011933945 [0,2,0,0,0,0|1,0,0]=3 10023 B19R2.4409 Cc1cccc(c1C)OCC(O)c2ccccc2 34a_100000185855_100000185958 [0,2,0,0,0,0|2,0,0]=4 10024 B19R2.4409 Cc1cccc(c1C)OCC(O)c2ccccc2 7a_100000185855_100000185958 [0,2,0,0,0,0|2,0,0]=4 10025 B19R2.4409 Cc1cccc(c1C)OC[C@@H](O)c2ccccc2 34a_100000185855_100011933945 [0,2,0,0,0,0|2,0,0]=4 10026 B19R2.4409 Cc1cccc(c1C)OC[C@@H](O)c2ccccc2 7a_100000185855_100011933945 [0,2,0,0,0,0|2,0,0]=4 10027 B19R2.4409 Cc1cccc(c1C)SCC(O)c2ccccc2 62a_100000185958_100011214922 [0,2,0,0,0,0|2,0,0]=4 10028 B19R2.4409 Cc1cccc(c1C)SCC(O)c2ccccc2 62a_100011214922_100000185958 [0,2,0,0,0,0|2,0,0]=4 10029 B19R2.4409 Cc1cccc(c1C)SC[C@@H](O)c2ccccc2 62a_100011214922_100011933945 [0,2,0,0,0,0|2,0,0]=4 10030 B19R2.4409 Cc1cccc(c1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100011214922 [0,2,0,0,0,0|2,0,0]=4 10031 B19R2.4409 Cc1cccc(c1Cl)NCC(C)c2ccccc2 34a_100000765562_100000756946 [0,2,0,0,0,0|2,0,0]=4 10032 B19R2.4409 Cc1cccc(c1Cl)NCC(C)c2ccccc2 7a_100000765562_100000756946 [0,2,0,0,0,0|2,0,0]=4 10033 B19R2.4409 Cc1cccc(c1Cl)NCC(O)c2ccccc2 34a_100000765562_100000185958 [0,2,0,0,0,0|1,0,0]=3 10034 B19R2.4409 Cc1cccc(c1Cl)NCC(O)c2ccccc2 7a_100000765562_100000185958 [0,2,0,0,0,0|1,0,0]=3 10035 B19R2.4409 Cc1cccc(c1Cl)NC[C@@H](O)c2ccccc2 34a_100000765562_100011933945 [0,2,0,0,0,0|1,0,0]=3 10036 B19R2.4409 Cc1cccc(c1Cl)NC[C@@H](O)c2ccccc2 7a_100000765562_100011933945 [0,2,0,0,0,0|1,0,0]=3 10037 B19R2.4409 Cc1cccc(c1Cl)OCC(O)c2ccccc2 34a_100000695629_100000185958 [0,2,0,0,0,0|2,0,0]=4 10038 B19R2.4409 Cc1cccc(c1Cl)OCC(O)c2ccccc2 7a_100000695629_100000185958 [0,2,0,0,0,0|2,0,0]=4 10039 B19R2.4409 Cc1cccc(c1Cl)OC[C@@H](O)c2ccccc2 34a_100000695629_100011933945 [0,2,0,0,0,0|2,0,0]=4 10040 B19R2.4409 Cc1cccc(c1Cl)OC[C@@H](O)c2ccccc2 7a_100000695629_100011933945 [0,2,0,0,0,0|2,0,0]=4 10041 B19R2.4409 Cc1cccc(c1Cl)SCC(O)c2ccccc2 62a_100000185958_200012352035 [0,2,0,0,0,0|2,0,0]=4 10042 B19R2.4409 Cc1cccc(c1Cl)SCC(O)c2ccccc2 62a_200012352035_100000185958 [0,2,0,0,0,0|2,0,0]=4 10043 B19R2.4409 Cc1cccc(c1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_200012352035 [0,2,0,0,0,0|2,0,0]=4 10044 B19R2.4409 Cc1cccc(c1Cl)SC[C@@H](O)c2ccccc2 62a_200012352035_100011933945 [0,2,0,0,0,0|2,0,0]=4 10045 B19R2.4409 Cc1cccc(c1F)NCC(C)c2ccccc2 2230a_100000697159_100000756946 [0,2,0,0,0,0|2,0,0]=4 10046 B19R2.4409 Cc1cccc(c1F)NCC(C)c2ccccc2 34a_100000697159_100000756946 [0,2,0,0,0,0|2,0,0]=4 10047 B19R2.4409 Cc1cccc(c1F)NCC(C)c2ccccc2 7a_100000697159_100000756946 [0,2,0,0,0,0|2,0,0]=4 10048 B19R2.4409 Cc1cccc(c1F)NCC(O)c2ccccc2 2230a_100000697159_100000185958 [0,2,0,0,0,0|1,0,0]=3 10049 B19R2.4409 Cc1cccc(c1F)NCC(O)c2ccccc2 34a_100000697159_100000185958 [0,2,0,0,0,0|1,0,0]=3 10050 B19R2.4409 Cc1cccc(c1F)NCC(O)c2ccccc2 7a_100000697159_100000185958 [0,2,0,0,0,0|1,0,0]=3 10051 B19R2.4409 Cc1cccc(c1F)NC[C@@H](O)c2ccccc2 2230a_100000697159_100011933945 [0,2,0,0,0,0|1,0,0]=3 10052 B19R2.4409 Cc1cccc(c1F)NC[C@@H](O)c2ccccc2 34a_100000697159_100011933945 [0,2,0,0,0,0|1,0,0]=3 10053 B19R2.4409 Cc1cccc(c1F)NC[C@@H](O)c2ccccc2 7a_100000697159_100011933945 [0,2,0,0,0,0|1,0,0]=3 10054 B19R2.4409 Cc1cccc(c1F)OCC(O)c2ccccc2 34a_100000751311_100000185958 [0,2,0,0,0,0|2,0,0]=4 10055 B19R2.4409 Cc1cccc(c1F)OCC(O)c2ccccc2 7a_100000751311_100000185958 [0,2,0,0,0,0|2,0,0]=4 10056 B19R2.4409 Cc1cccc(c1F)OC[C@@H](O)c2ccccc2 34a_100000751311_100011933945 [0,2,0,0,0,0|2,0,0]=4 10057 B19R2.4409 Cc1cccc(c1F)OC[C@@H](O)c2ccccc2 7a_100000751311_100011933945 [0,2,0,0,0,0|2,0,0]=4 10058 B19R2.4409 Cc1cccc(c1F)SCC(O)c2ccccc2 62a_100000185958_100000717567 [0,2,0,0,0,0|2,0,0]=4 10059 B19R2.4409 Cc1cccc(c1F)SCC(O)c2ccccc2 62a_100000717567_100000185958 [0,2,0,0,0,0|2,0,0]=4 10060 B19R2.4409 Cc1cccc(c1F)SC[C@@H](O)c2ccccc2 62a_100000717567_100011933945 [0,2,0,0,0,0|2,0,0]=4 10061 B19R2.4409 Cc1cccc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000717567 [0,2,0,0,0,0|2,0,0]=4 10062 B19R2.4409 Cc1cccc(c1I)NCC(C)c2ccccc2 34a_100000761888_100000756946 [0,2,0,0,0,0|2,0,0]=4 10063 B19R2.4409 Cc1cccc(c1I)NCC(O)c2ccccc2 34a_100000761888_100000185958 [0,2,0,0,0,0|1,0,0]=3 10064 B19R2.4409 Cc1cccc(c1I)NC[C@@H](O)c2ccccc2 34a_100000761888_100011933945 [0,2,0,0,0,0|1,0,0]=3 10065 B19R2.4409 Cc1cccc(c1I)OCC(O)c2ccccc2 34a_100010083724_100000185958 [0,2,0,0,0,0|2,0,0]=4 10066 B19R2.4409 Cc1cccc(c1I)OCC(O)c2ccccc2 7a_100010083724_100000185958 [0,2,0,0,0,0|2,0,0]=4 10067 B19R2.4409 Cc1cccc(c1I)OC[C@@H](O)c2ccccc2 34a_100010083724_100011933945 [0,2,0,0,0,0|2,0,0]=4 10068 B19R2.4409 Cc1cccc(c1I)OC[C@@H](O)c2ccccc2 7a_100010083724_100011933945 [0,2,0,0,0,0|2,0,0]=4 10069 B19R2.4409 Cc1cccc(c1N)OCC(O)c2ccccc2 34a_100000743429_100000185958 [0,2,0,0,0,0|2,0,0]=4 10070 B19R2.4409 Cc1cccc(c1N)OCC(O)c2ccccc2 7a_100000743429_100000185958 [0,2,0,0,0,0|2,0,0]=4 10071 B19R2.4409 Cc1cccc(c1N)OC[C@@H](O)c2ccccc2 34a_100000743429_100011933945 [0,2,0,0,0,0|2,0,0]=4 10072 B19R2.4409 Cc1cccc(c1N)OC[C@@H](O)c2ccccc2 7a_100000743429_100011933945 [0,2,0,0,0,0|2,0,0]=4 10073 B19R2.4409 Cc1cccc(c1N)SCC(O)c2ccccc2 62a_100000185958_100011834072 [0,2,0,0,0,0|2,0,0]=4 10074 B19R2.4409 Cc1cccc(c1N)SCC(O)c2ccccc2 62a_100011834072_100000185958 [0,2,0,0,0,0|2,0,0]=4 10075 B19R2.4409 Cc1cccc(c1N)SC[C@@H](O)c2ccccc2 62a_100011834072_100011933945 [0,2,0,0,0,0|2,0,0]=4 10076 B19R2.4409 Cc1cccc(c1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100011834072 [0,2,0,0,0,0|2,0,0]=4 10077 B19R2.4409 Cc1cccc(c1O)NCC(C)c2ccccc2 34a_100000756359_100000756946 [0,2,0,0,0,0|2,0,0]=4 10078 B19R2.4409 Cc1cccc(c1O)NCC(O)c2ccccc2 34a_100000756359_100000185958 [0,2,0,0,0,0|1,0,0]=3 10079 B19R2.4409 Cc1cccc(c1O)NC[C@@H](O)c2ccccc2 34a_100000756359_100011933945 [0,2,0,0,0,0|1,0,0]=3 10080 B19R2.4409 Cc1cccc(c1O)SCC(O)c2ccccc2 62a_100000185958_100009817157 [0,2,0,0,0,0|2,0,0]=4 10081 B19R2.4409 Cc1cccc(c1O)SCC(O)c2ccccc2 62a_100009817157_100000185958 [0,2,0,0,0,0|2,0,0]=4 10082 B19R2.4409 Cc1cccc(c1O)SC[C@@H](O)c2ccccc2 62a_100009817157_100011933945 [0,2,0,0,0,0|2,0,0]=4 10083 B19R2.4409 Cc1cccc(c1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009817157 [0,2,0,0,0,0|2,0,0]=4 10084 B19R2.4409 Cc1ccnc(c1Br)OCC(C)c2ccccc2 34a_100012000493_100000756946 [0,2,0,0,0,0|2,0,0]=4 10085 B19R2.4409 Cc1ccnc(c1Br)OCC(O)c2ccccc2 34a_100012000493_100000185958 [0,2,0,0,0,0|1,0,0]=3 10086 B19R2.4409 Cc1ccnc(c1Br)OC[C@@H](O)c2ccccc2 34a_100012000493_100011933945 [0,2,0,0,0,0|1,0,0]=3 10087 B19R2.4409 Cc1ccnc(c1C)SCC(C)c2ccccc2 62a_100000756946_100009847204 [0,2,0,0,0,0|2,0,0]=4 10088 B19R2.4409 Cc1ccnc(c1C)SCC(C)c2ccccc2 62a_100009847204_100000756946 [0,2,0,0,0,0|2,0,0]=4 10089 B19R2.4409 Cc1ccnc(c1C)SCC(O)c2ccccc2 62a_100000185958_100009847204 [0,2,0,0,0,0|1,0,0]=3 10090 B19R2.4409 Cc1ccnc(c1C)SCC(O)c2ccccc2 62a_100009847204_100000185958 [0,2,0,0,0,0|1,0,0]=3 10091 B19R2.4409 Cc1ccnc(c1C)SC[C@@H](O)c2ccccc2 62a_100009847204_100011933945 [0,2,0,0,0,0|1,0,0]=3 10092 B19R2.4409 Cc1ccnc(c1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100009847204 [0,2,0,0,0,0|1,0,0]=3 10093 B19R2.4409 Cc1ccnc(c1F)SCC(C)c2ccccc2 62a_100000756946_100009817629 [0,2,0,0,0,0|2,0,0]=4 10094 B19R2.4409 Cc1ccnc(c1F)SCC(C)c2ccccc2 62a_100009817629_100000756946 [0,2,0,0,0,0|2,0,0]=4 10095 B19R2.4409 Cc1ccnc(c1F)SCC(O)c2ccccc2 62a_100000185958_100009817629 [0,2,0,0,0,0|1,0,0]=3 10096 B19R2.4409 Cc1ccnc(c1F)SCC(O)c2ccccc2 62a_100009817629_100000185958 [0,2,0,0,0,0|1,0,0]=3 10097 B19R2.4409 Cc1ccnc(c1F)SC[C@@H](O)c2ccccc2 62a_100009817629_100011933945 [0,2,0,0,0,0|1,0,0]=3 10098 B19R2.4409 Cc1ccnc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009817629 [0,2,0,0,0,0|1,0,0]=3 10099 B19R2.4409 Cc1ccnc(c1N)SCC(C)c2ccccc2 62a_100000756946_100000763560 [0,2,0,0,0,0|2,0,0]=4 10100 B19R2.4409 Cc1ccnc(c1N)SCC(C)c2ccccc2 62a_100000763560_100000756946 [0,2,0,0,0,0|2,0,0]=4 10101 B19R2.4409 Cc1ccnc(c1N)SCC(O)c2ccccc2 62a_100000185958_100000763560 [0,2,0,0,0,0|1,0,0]=3 10102 B19R2.4409 Cc1ccnc(c1N)SCC(O)c2ccccc2 62a_100000763560_100000185958 [0,2,0,0,0,0|1,0,0]=3 10103 B19R2.4409 Cc1ccnc(c1N)SC[C@@H](O)c2ccccc2 62a_100000763560_100011933945 [0,2,0,0,0,0|1,0,0]=3 10104 B19R2.4409 Cc1ccnc(c1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000763560 [0,2,0,0,0,0|1,0,0]=3 10105 B19R2.4409 Cc1ccnc(c1O)SCC(C)c2ccccc2 62a_100000756946_100000696282 [0,2,0,0,0,0|2,0,0]=4 10106 B19R2.4409 Cc1ccnc(c1O)SCC(O)c2ccccc2 62a_100000185958_100000696282 [0,2,0,0,0,0|1,0,0]=3 10107 B19R2.4409 Cc1ccnc(c1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000696282 [0,2,0,0,0,0|1,0,0]=3 10108 B19R2.4409 Cc1nccc(c1Cl)NCC(O)c2ccccc2 27a_100000210709_100000698670 [0,2,0,0,0,0|2,0,0]=4 10109 B19R2.4409 Cc1nccc(c1F)NCC(O)c2ccccc2 27a_100000210709_100009849794 [0,2,0,0,0,0|2,0,0]=4 10110 B19R2.4409 Cc1ncnc(c1C)NCC(C)c2ccccc2 27a_100000701038_100011438038 [0,2,0,0,0,0|2,0,0]=4 10111 B19R2.4409 Cc1ncnc(c1C)NCC(O)c2ccccc2 27a_100000210709_100011438038 [0,2,0,0,0,0|1,0,0]=3 10112 B19R2.4409 Cc1ncnc(c1C)NCC(O)c2ccccn2 27a_100000691469_100011438038 [0,2,0,0,0,0|2,0,0]=4 10113 B19R2.4409 Cc1ncnc(c1C)NCC(O)c2cccnc2 27a_100020605170_100011438038 [0,2,0,0,0,0|2,0,0]=4 10114 B19R2.4409 Cc1ncnc(c1C)OCC(O)c2ccccc2 34a_100000697798_100000185958 [0,2,0,0,0,0|2,0,0]=4 10115 B19R2.4409 Cc1ncnc(c1C)OC[C@@H](O)c2ccccc2 34a_100000697798_100011933945 [0,2,0,0,0,0|2,0,0]=4 10116 B19R2.4409 Cc1ncnc(c1C)SCC(O)c2ccccc2 62a_100000185958_100011438038 [0,2,0,0,0,0|2,0,0]=4 10117 B19R2.4409 Cc1ncnc(c1C)SCC(O)c2ccccc2 62a_100011438038_100000185958 [0,2,0,0,0,0|2,0,0]=4 10118 B19R2.4409 Cc1ncnc(c1C)SC[C@@H](O)c2ccccc2 62a_100011438038_100011933945 [0,2,0,0,0,0|2,0,0]=4 10119 B19R2.4409 Cc1ncnc(c1C)SC[C@@H](O)c2ccccc2 62a_100011933945_100011438038 [0,2,0,0,0,0|2,0,0]=4 10120 B19R2.4409 Cc1ncnc(c1F)NCC(C)c2ccccc2 27a_100000701038_100011671633 [0,2,0,0,0,0|2,0,0]=4 10121 B19R2.4409 Cc1ncnc(c1F)NCC(O)c2ccccc2 27a_100000210709_100011671633 [0,2,0,0,0,0|1,0,0]=3 10122 B19R2.4409 Cc1ncnc(c1F)NCC(O)c2ccccn2 27a_100000691469_100011671633 [0,2,0,0,0,0|2,0,0]=4 10123 B19R2.4409 Cc1ncnc(c1F)NCC(O)c2cccnc2 27a_100020605170_100011671633 [0,2,0,0,0,0|2,0,0]=4 10124 B19R2.4409 Cc1ncnc(c1F)SCC(O)c2ccccc2 62a_100000185958_100011671633 [0,2,0,0,0,0|2,0,0]=4 10125 B19R2.4409 Cc1ncnc(c1F)SCC(O)c2ccccc2 62a_100011671633_100000185958 [0,2,0,0,0,0|2,0,0]=4 10126 B19R2.4409 Cc1ncnc(c1F)SC[C@@H](O)c2ccccc2 62a_100011671633_100011933945 [0,2,0,0,0,0|2,0,0]=4 10127 B19R2.4409 Cc1ncnc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011671633 [0,2,0,0,0,0|2,0,0]=4 10128 B19R2.4409 Cn1c(cccc1=O)SCC(O)c2ccccc2 62a_100000185958_100000726605 [0,2,0,0,0,0|1,0,1]=4 10129 B19R2.4409 Cn1c(cccc1=O)SCC(O)c2ccccc2 62a_100000726605_100000185958 [0,2,0,0,0,0|1,0,1]=4 10130 B19R2.4409 Cn1c(cccc1=O)SC[C@@H](O)c2ccccc2 62a_100000726605_100011933945 [0,2,0,0,0,0|1,0,1]=4 10131 B19R2.4409 Cn1c(cccc1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000726605 [0,2,0,0,0,0|1,0,1]=4 10132 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)Br 34a_100011934926_100000185958 [0,2,0,0,0,0|2,0,0]=4 10133 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)Br 7a_100011934926_100000185958 [0,2,0,0,0,0|2,0,0]=4 10134 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)Cl 34a_100012022510_100000185958 [0,2,0,0,0,0|2,0,0]=4 10135 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)Cl 7a_100012022510_100000185958 [0,2,0,0,0,0|2,0,0]=4 10136 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)F 34a_100020591140_100000185958 [0,2,0,0,0,0|2,0,0]=4 10137 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)F 7a_100020591140_100000185958 [0,2,0,0,0,0|2,0,0]=4 10138 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)I 34a_200000049512_100000185958 [0,2,0,0,0,0|2,0,0]=4 10139 B19R2.4409 Nc1c(cccc1OCC(O)c2ccccc2)I 7a_200000049512_100000185958 [0,2,0,0,0,0|2,0,0]=4 10140 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)Br 34a_100011934926_100011933945 [0,2,0,0,0,0|2,0,0]=4 10141 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)Br 7a_100011934926_100011933945 [0,2,0,0,0,0|2,0,0]=4 10142 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)Cl 34a_100012022510_100011933945 [0,2,0,0,0,0|2,0,0]=4 10143 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)Cl 7a_100012022510_100011933945 [0,2,0,0,0,0|2,0,0]=4 10144 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)F 34a_100020591140_100011933945 [0,2,0,0,0,0|2,0,0]=4 10145 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)F 7a_100020591140_100011933945 [0,2,0,0,0,0|2,0,0]=4 10146 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)I 34a_200000049512_100011933945 [0,2,0,0,0,0|2,0,0]=4 10147 B19R2.4409 Nc1c(cccc1OC[C@@H](O)c2ccccc2)I 7a_200000049512_100011933945 [0,2,0,0,0,0|2,0,0]=4 10148 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)Br 62a_100000185958_100010146558 [0,2,0,0,0,0|2,0,0]=4 10149 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)Br 62a_100010146558_100000185958 [0,2,0,0,0,0|2,0,0]=4 10150 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)Cl 62a_100000185958_100010190421 [0,2,0,0,0,0|2,0,0]=4 10151 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)Cl 62a_100010190421_100000185958 [0,2,0,0,0,0|2,0,0]=4 10152 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)F 62a_100000042321_100000185958 [0,2,0,0,0,0|2,0,0]=4 10153 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)F 62a_100000185958_100000042321 [0,2,0,0,0,0|2,0,0]=4 10154 B19R2.4409 Nc1c(cccc1SCC(O)c2ccccc2)O 62a_100000185958_100011934926 [0,2,0,0,0,0|2,0,0]=4 10155 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)Br 62a_100010146558_100011933945 [0,2,0,0,0,0|2,0,0]=4 10156 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010146558 [0,2,0,0,0,0|2,0,0]=4 10157 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)Cl 62a_100010190421_100011933945 [0,2,0,0,0,0|2,0,0]=4 10158 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010190421 [0,2,0,0,0,0|2,0,0]=4 10159 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)F 62a_100000042321_100011933945 [0,2,0,0,0,0|2,0,0]=4 10160 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000042321 [0,2,0,0,0,0|2,0,0]=4 10161 B19R2.4409 Nc1c(cccc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011934926 [0,2,0,0,0,0|2,0,0]=4 10162 B19R2.4409 Nc1c(ncnc1SCC(O)c2ccccc2)O 62a_100000185958_100011795086 [0,2,0,0,0,0|2,0,0]=4 10163 B19R2.4409 Nc1c(ncnc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011795086 [0,2,0,0,0,0|2,0,0]=4 10164 B19R2.4409 Nc1cccc(c1Br)OCC(O)c2ccccc2 34a_100012183704_100000185958 [0,2,0,0,0,0|2,0,0]=4 10165 B19R2.4409 Nc1cccc(c1Br)OCC(O)c2ccccc2 7a_100012183704_100000185958 [0,2,0,0,0,0|2,0,0]=4 10166 B19R2.4409 Nc1cccc(c1Br)OC[C@@H](O)c2ccccc2 34a_100012183704_100011933945 [0,2,0,0,0,0|2,0,0]=4 10167 B19R2.4409 Nc1cccc(c1Br)OC[C@@H](O)c2ccccc2 7a_100012183704_100011933945 [0,2,0,0,0,0|2,0,0]=4 10168 B19R2.4409 Nc1cccc(c1Cl)OCC(O)c2ccccc2 34a_100012002038_100000185958 [0,2,0,0,0,0|2,0,0]=4 10169 B19R2.4409 Nc1cccc(c1Cl)OCC(O)c2ccccc2 7a_100012002038_100000185958 [0,2,0,0,0,0|2,0,0]=4 10170 B19R2.4409 Nc1cccc(c1Cl)OC[C@@H](O)c2ccccc2 34a_100012002038_100011933945 [0,2,0,0,0,0|2,0,0]=4 10171 B19R2.4409 Nc1cccc(c1Cl)OC[C@@H](O)c2ccccc2 7a_100012002038_100011933945 [0,2,0,0,0,0|2,0,0]=4 10172 B19R2.4409 Nc1cccc(c1F)SCC(O)c2ccccc2 62a_100000185958_100011935091 [0,2,0,0,0,0|2,0,0]=4 10173 B19R2.4409 Nc1cccc(c1F)SCC(O)c2ccccc2 62a_100011935091_100000185958 [0,2,0,0,0,0|2,0,0]=4 10174 B19R2.4409 Nc1cccc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100011935091 [0,2,0,0,0,0|2,0,0]=4 10175 B19R2.4409 Nc1cccc(c1F)SC[C@@H](O)c2ccccc2 62a_100011935091_100011933945 [0,2,0,0,0,0|2,0,0]=4 10176 B19R2.4409 Nc1cccc(c1N)OCC(O)c2ccccc2 34a_100000033209_100000185958 [0,2,0,0,0,0|2,0,0]=4 10177 B19R2.4409 Nc1cccc(c1N)OC[C@@H](O)c2ccccc2 34a_100000033209_100011933945 [0,2,0,0,0,0|2,0,0]=4 10178 B19R2.4409 Nc1cccc(c1N)SCC(O)c2ccccc2 62a_100015191791_100000185958 [0,2,0,0,0,0|2,0,0]=4 10179 B19R2.4409 Nc1cccc(c1N)SC[C@@H](O)c2ccccc2 62a_100015191791_100011933945 [0,2,0,0,0,0|2,0,0]=4 10180 B19R2.4409 Nc1cccc(c1O)SCC(O)c2ccccc2 62a_100000185958_100010084371 [0,2,0,0,0,0|2,0,0]=4 10181 B19R2.4409 Nc1cccc(c1O)SCC(O)c2ccccc2 62a_100011934915_100000185958 [0,2,0,0,0,0|2,0,0]=4 10182 B19R2.4409 Nc1cccc(c1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100010084371 [0,2,0,0,0,0|2,0,0]=4 10183 B19R2.4409 Nc1cccc(c1O)SC[C@@H](O)c2ccccc2 62a_100011934915_100011933945 [0,2,0,0,0,0|2,0,0]=4 10184 B19R2.4409 Nc1ccnc(c1Cl)OCC(O)c2ccccc2 34a_200000093555_100000185958 [0,2,0,0,0,0|1,0,0]=3 10185 B19R2.4409 Nc1ccnc(c1Cl)OC[C@@H](O)c2ccccc2 34a_200000093555_100011933945 [0,2,0,0,0,0|1,0,0]=3 10186 B19R2.4409 Nc1ccnc(c1F)SCC(O)c2ccccc2 62a_100000185958_100015205195 [0,2,0,0,0,0|1,0,0]=3 10187 B19R2.4409 Nc1ccnc(c1F)SCC(O)c2ccccc2 62a_100015205195_100000185958 [0,2,0,0,0,0|1,0,0]=3 10188 B19R2.4409 Nc1ccnc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100015205195 [0,2,0,0,0,0|1,0,0]=3 10189 B19R2.4409 Nc1ccnc(c1F)SC[C@@H](O)c2ccccc2 62a_100015205195_100011933945 [0,2,0,0,0,0|1,0,0]=3 10190 B19R2.4409 Nc1ccnc(c1N)SCC(O)c2ccccc2 62a_100000085203_100000185958 [0,2,0,0,0,0|1,0,0]=3 10191 B19R2.4409 Nc1ccnc(c1N)SCC(O)c2ccccc2 62a_100000185958_100000085203 [0,2,0,0,0,0|1,0,0]=3 10192 B19R2.4409 Nc1ccnc(c1N)SC[C@@H](O)c2ccccc2 62a_100000085203_100011933945 [0,2,0,0,0,0|1,0,0]=3 10193 B19R2.4409 Nc1ccnc(c1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000085203 [0,2,0,0,0,0|1,0,0]=3 10194 B19R2.4409 Nc1ccnc(c1O)SCC(O)c2ccccc2 62a_100000185958_100009844647 [0,2,0,0,0,0|1,0,0]=3 10195 B19R2.4409 Nc1ccnc(c1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009844647 [0,2,0,0,0,0|1,0,0]=3 10196 B19R2.4409 Nc1ncnc(c1F)NCC(O)c2ccccc2 27a_100000210709_100000126652 [0,2,0,0,0,0|1,0,0]=3 10197 B19R2.4409 Nc1ncnc(c1F)NCC(O)c2ccccn2 27a_100000691469_100000126652 [0,2,0,0,0,0|2,0,0]=4 10198 B19R2.4409 Nc1ncnc(c1F)NCC(O)c2cccnc2 27a_100020605170_100000126652 [0,2,0,0,0,0|2,0,0]=4 10199 B19R2.4409 Nc1ncnc(c1F)SCC(O)c2ccccc2 62a_100000126652_100000185958 [0,2,0,0,0,0|2,0,0]=4 10200 B19R2.4409 Nc1ncnc(c1F)SCC(O)c2ccccc2 62a_100000185958_100000126652 [0,2,0,0,0,0|2,0,0]=4 10201 B19R2.4409 Nc1ncnc(c1F)SC[C@@H](O)c2ccccc2 62a_100000126652_100011933945 [0,2,0,0,0,0|2,0,0]=4 10202 B19R2.4409 Nc1ncnc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100000126652 [0,2,0,0,0,0|2,0,0]=4 10203 B19R2.4409 Nc1ncnc(c1N)SCC(O)c2ccccc2 62a_100000185958_100000766367 [0,2,0,0,0,0|2,0,0]=4 10204 B19R2.4409 Nc1ncnc(c1N)SCC(O)c2ccccc2 62a_100000766367_100000185958 [0,2,0,0,0,0|2,0,0]=4 10205 B19R2.4409 Nc1ncnc(c1N)SC[C@@H](O)c2ccccc2 62a_100000766367_100011933945 [0,2,0,0,0,0|2,0,0]=4 10206 B19R2.4409 Nc1ncnc(c1N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000766367 [0,2,0,0,0,0|2,0,0]=4 10207 B19R2.4409 Nc1ncnc(c1O)SCC(O)c2ccccc2 62a_100000185958_100000124137 [0,2,0,0,0,0|2,0,0]=4 10208 B19R2.4409 Nc1ncnc(c1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000124137 [0,2,0,0,0,0|2,0,0]=4 10209 B19R2.4409 OC(CNc1cccc(c1Br)Cl)c2ccccc2 34a_100000687072_100000185958 [0,2,0,0,0,0|1,0,0]=3 10210 B19R2.4409 OC(CNc1cccc(c1Br)F)c2ccccc2 34a_100011934729_100000185958 [0,2,0,0,0,0|1,0,0]=3 10211 B19R2.4409 OC(CNc1cccc(c1Cl)Br)c2ccccc2 34a_100000687075_100000185958 [0,2,0,0,0,0|1,0,0]=3 10212 B19R2.4409 OC(CNc1cccc(c1Cl)Cl)c2ccccc2 34a_100000185733_100000185958 [0,2,0,0,0,0|1,0,0]=3 10213 B19R2.4409 OC(CNc1cccc(c1Cl)F)c2ccccc2 34a_100000692321_100000185958 [0,2,0,0,0,0|1,0,0]=3 10214 B19R2.4409 OC(CNc1cccc(c1F)Br)c2ccccc2 2230a_100011935091_100000185958 [0,2,0,0,0,0|1,0,0]=3 10215 B19R2.4409 OC(CNc1cccc(c1F)Br)c2ccccc2 34a_100011935091_100000185958 [0,2,0,0,0,0|1,0,0]=3 10216 B19R2.4409 OC(CNc1cccc(c1F)Cl)c2ccccc2 2230a_100000199060_100000185958 [0,2,0,0,0,0|1,0,0]=3 10217 B19R2.4409 OC(CNc1cccc(c1F)Cl)c2ccccc2 34a_100000199060_100000185958 [0,2,0,0,0,0|1,0,0]=3 10218 B19R2.4409 OC(CNc1cccc(c1F)F)c2ccccc2 34a_100000743855_100000185958 [0,2,0,0,0,0|1,0,0]=3 10219 B19R2.4409 OC(CNc1cccc(c1I)Br)c2ccccc2 34a_100020590159_100000185958 [0,2,0,0,0,0|1,0,0]=3 10220 B19R2.4409 OC(CNc1cccc(c1I)Cl)c2ccccc2 34a_100000049713_100000185958 [0,2,0,0,0,0|1,0,0]=3 10221 B19R2.4409 OC(CNc1cccc(c1I)F)c2ccccc2 34a_100000690935_100000185958 [0,2,0,0,0,0|1,0,0]=3 10222 B19R2.4409 OC(CNc1ccnc(c1Br)F)c2ccccc2 27a_100000210709_100010006599 [0,2,0,0,0,0|2,0,0]=4 10223 B19R2.4409 OC(CNc1ccnc(c1Cl)F)c2ccccc2 27a_100000210709_100010067886 [0,2,0,0,0,0|2,0,0]=4 10224 B19R2.4409 OC(CNc1ccnc(c1F)F)c2ccccc2 27a_100000210709_100010214882 [0,2,0,0,0,0|2,0,0]=4 10225 B19R2.4409 OC(COc1cccc(c1Br)Br)c2ccccc2 34a_100010187966_100000185958 [0,2,0,0,0,0|2,0,0]=4 10226 B19R2.4409 OC(COc1cccc(c1Br)Br)c2ccccc2 7a_100010187966_100000185958 [0,2,0,0,0,0|2,0,0]=4 10227 B19R2.4409 OC(COc1cccc(c1Br)Cl)c2ccccc2 34a_100012348804_100000185958 [0,2,0,0,0,0|2,0,0]=4 10228 B19R2.4409 OC(COc1cccc(c1Br)Cl)c2ccccc2 7a_100012348804_100000185958 [0,2,0,0,0,0|2,0,0]=4 10229 B19R2.4409 OC(COc1cccc(c1Br)F)c2ccccc2 34a_100009820682_100000185958 [0,2,0,0,0,0|2,0,0]=4 10230 B19R2.4409 OC(COc1cccc(c1Br)F)c2ccccc2 7a_100009820682_100000185958 [0,2,0,0,0,0|2,0,0]=4 10231 B19R2.4409 OC(COc1cccc(c1Br)I)c2ccccc2 34a_100010187914_100000185958 [0,2,0,0,0,0|2,0,0]=4 10232 B19R2.4409 OC(COc1cccc(c1Br)I)c2ccccc2 7a_100010187914_100000185958 [0,2,0,0,0,0|2,0,0]=4 10233 B19R2.4409 OC(COc1cccc(c1Cl)Br)c2ccccc2 34a_100010187913_100000185958 [0,2,0,0,0,0|2,0,0]=4 10234 B19R2.4409 OC(COc1cccc(c1Cl)Br)c2ccccc2 7a_100010187913_100000185958 [0,2,0,0,0,0|2,0,0]=4 10235 B19R2.4409 OC(COc1cccc(c1Cl)Cl)c2ccccc2 34a_100000211076_100000185958 [0,2,0,0,0,0|2,0,0]=4 10236 B19R2.4409 OC(COc1cccc(c1Cl)Cl)c2ccccc2 7a_100000211076_100000185958 [0,2,0,0,0,0|2,0,0]=4 10237 B19R2.4409 OC(COc1cccc(c1Cl)F)c2ccccc2 34a_100000087408_100000185958 [0,2,0,0,0,0|2,0,0]=4 10238 B19R2.4409 OC(COc1cccc(c1Cl)F)c2ccccc2 7a_100000087408_100000185958 [0,2,0,0,0,0|2,0,0]=4 10239 B19R2.4409 OC(COc1cccc(c1Cl)I)c2ccccc2 34a_100000049636_100000185958 [0,2,0,0,0,0|2,0,0]=4 10240 B19R2.4409 OC(COc1cccc(c1Cl)I)c2ccccc2 7a_100000049636_100000185958 [0,2,0,0,0,0|2,0,0]=4 10241 B19R2.4409 OC(COc1cccc(c1F)Br)c2ccccc2 34a_100009817021_100000185958 [0,2,0,0,0,0|2,0,0]=4 10242 B19R2.4409 OC(COc1cccc(c1F)Br)c2ccccc2 7a_100009817021_100000185958 [0,2,0,0,0,0|2,0,0]=4 10243 B19R2.4409 OC(COc1cccc(c1F)Cl)c2ccccc2 34a_100000687438_100000185958 [0,2,0,0,0,0|2,0,0]=4 10244 B19R2.4409 OC(COc1cccc(c1F)Cl)c2ccccc2 7a_100000687438_100000185958 [0,2,0,0,0,0|2,0,0]=4 10245 B19R2.4409 OC(COc1cccc(c1F)F)c2ccccc2 34a_100000751161_100000185958 [0,2,0,0,0,0|2,0,0]=4 10246 B19R2.4409 OC(COc1cccc(c1F)F)c2ccccc2 7a_100000751161_100000185958 [0,2,0,0,0,0|2,0,0]=4 10247 B19R2.4409 OC(COc1cccc(c1I)Br)c2ccccc2 34a_100010187912_100000185958 [0,2,0,0,0,0|2,0,0]=4 10248 B19R2.4409 OC(COc1cccc(c1I)Br)c2ccccc2 7a_100010187912_100000185958 [0,2,0,0,0,0|2,0,0]=4 10249 B19R2.4409 OC(COc1cccc(c1I)Cl)c2ccccc2 34a_100000050174_100000185958 [0,2,0,0,0,0|2,0,0]=4 10250 B19R2.4409 OC(COc1cccc(c1I)Cl)c2ccccc2 7a_100000050174_100000185958 [0,2,0,0,0,0|2,0,0]=4 10251 B19R2.4409 OC(COc1cccc(c1I)F)c2ccccc2 34a_100000690913_100000185958 [0,2,0,0,0,0|2,0,0]=4 10252 B19R2.4409 OC(COc1cccc(c1I)F)c2ccccc2 7a_100000690913_100000185958 [0,2,0,0,0,0|2,0,0]=4 10253 B19R2.4409 OC(CSc1cccc(c1Br)Cl)c2ccccc2 62a_100000185958_100014021842 [0,2,0,0,0,0|2,0,0]=4 10254 B19R2.4409 OC(CSc1cccc(c1Br)Cl)c2ccccc2 62a_100014021842_100000185958 [0,2,0,0,0,0|2,0,0]=4 10255 B19R2.4409 OC(CSc1cccc(c1Br)F)c2ccccc2 62a_100000185958_100010202630 [0,2,0,0,0,0|2,0,0]=4 10256 B19R2.4409 OC(CSc1cccc(c1Br)F)c2ccccc2 62a_100010202630_100000185958 [0,2,0,0,0,0|2,0,0]=4 10257 B19R2.4409 OC(CSc1cccc(c1Cl)Br)c2ccccc2 62a_100000185958_100010142854 [0,2,0,0,0,0|2,0,0]=4 10258 B19R2.4409 OC(CSc1cccc(c1Cl)Br)c2ccccc2 62a_100010142854_100000185958 [0,2,0,0,0,0|2,0,0]=4 10259 B19R2.4409 OC(CSc1cccc(c1Cl)Cl)c2ccccc2 62a_100000185958_100011215384 [0,2,0,0,0,0|2,0,0]=4 10260 B19R2.4409 OC(CSc1cccc(c1Cl)Cl)c2ccccc2 62a_100011215384_100000185958 [0,2,0,0,0,0|2,0,0]=4 10261 B19R2.4409 OC(CSc1cccc(c1Cl)F)c2ccccc2 62a_100000185958_200010234923 [0,2,0,0,0,0|2,0,0]=4 10262 B19R2.4409 OC(CSc1cccc(c1Cl)F)c2ccccc2 62a_200010234923_100000185958 [0,2,0,0,0,0|2,0,0]=4 10263 B19R2.4409 OC(CSc1cccc(c1F)Br)c2ccccc2 62a_100000185958_100000702267 [0,2,0,0,0,0|2,0,0]=4 10264 B19R2.4409 OC(CSc1cccc(c1F)Br)c2ccccc2 62a_100000702267_100000185958 [0,2,0,0,0,0|2,0,0]=4 10265 B19R2.4409 OC(CSc1cccc(c1F)Cl)c2ccccc2 62a_100000185958_100011217346 [0,2,0,0,0,0|2,0,0]=4 10266 B19R2.4409 OC(CSc1cccc(c1F)Cl)c2ccccc2 62a_100011217346_100000185958 [0,2,0,0,0,0|2,0,0]=4 10267 B19R2.4409 OC(CSc1cccc(c1F)F)c2ccccc2 62a_100000185958_100000694657 [0,2,0,0,0,0|2,0,0]=4 10268 B19R2.4409 OC(CSc1cccc(c1F)F)c2ccccc2 62a_100000694657_100000185958 [0,2,0,0,0,0|2,0,0]=4 10269 B19R2.4409 O[C@H](CNc1cccc(c1Br)Cl)c2ccccc2 34a_100000687072_100011933945 [0,2,0,0,0,0|1,0,0]=3 10270 B19R2.4409 O[C@H](CNc1cccc(c1Br)F)c2ccccc2 34a_100011934729_100011933945 [0,2,0,0,0,0|1,0,0]=3 10271 B19R2.4409 O[C@H](CNc1cccc(c1Cl)Br)c2ccccc2 34a_100000687075_100011933945 [0,2,0,0,0,0|1,0,0]=3 10272 B19R2.4409 O[C@H](CNc1cccc(c1Cl)Cl)c2ccccc2 34a_100000185733_100011933945 [0,2,0,0,0,0|1,0,0]=3 10273 B19R2.4409 O[C@H](CNc1cccc(c1Cl)F)c2ccccc2 34a_100000692321_100011933945 [0,2,0,0,0,0|1,0,0]=3 10274 B19R2.4409 O[C@H](CNc1cccc(c1F)Br)c2ccccc2 2230a_100011935091_100011933945 [0,2,0,0,0,0|1,0,0]=3 10275 B19R2.4409 O[C@H](CNc1cccc(c1F)Br)c2ccccc2 34a_100011935091_100011933945 [0,2,0,0,0,0|1,0,0]=3 10276 B19R2.4409 O[C@H](CNc1cccc(c1F)Cl)c2ccccc2 2230a_100000199060_100011933945 [0,2,0,0,0,0|1,0,0]=3 10277 B19R2.4409 O[C@H](CNc1cccc(c1F)Cl)c2ccccc2 34a_100000199060_100011933945 [0,2,0,0,0,0|1,0,0]=3 10278 B19R2.4409 O[C@H](CNc1cccc(c1F)F)c2ccccc2 34a_100000743855_100011933945 [0,2,0,0,0,0|1,0,0]=3 10279 B19R2.4409 O[C@H](CNc1cccc(c1I)Br)c2ccccc2 34a_100020590159_100011933945 [0,2,0,0,0,0|1,0,0]=3 10280 B19R2.4409 O[C@H](CNc1cccc(c1I)Cl)c2ccccc2 34a_100000049713_100011933945 [0,2,0,0,0,0|1,0,0]=3 10281 B19R2.4409 O[C@H](CNc1cccc(c1I)F)c2ccccc2 34a_100000690935_100011933945 [0,2,0,0,0,0|1,0,0]=3 10282 B19R2.4409 O[C@H](COc1cccc(c1Br)Br)c2ccccc2 34a_100010187966_100011933945 [0,2,0,0,0,0|2,0,0]=4 10283 B19R2.4409 O[C@H](COc1cccc(c1Br)Br)c2ccccc2 7a_100010187966_100011933945 [0,2,0,0,0,0|2,0,0]=4 10284 B19R2.4409 O[C@H](COc1cccc(c1Br)Cl)c2ccccc2 34a_100012348804_100011933945 [0,2,0,0,0,0|2,0,0]=4 10285 B19R2.4409 O[C@H](COc1cccc(c1Br)Cl)c2ccccc2 7a_100012348804_100011933945 [0,2,0,0,0,0|2,0,0]=4 10286 B19R2.4409 O[C@H](COc1cccc(c1Br)F)c2ccccc2 34a_100009820682_100011933945 [0,2,0,0,0,0|2,0,0]=4 10287 B19R2.4409 O[C@H](COc1cccc(c1Br)F)c2ccccc2 7a_100009820682_100011933945 [0,2,0,0,0,0|2,0,0]=4 10288 B19R2.4409 O[C@H](COc1cccc(c1Br)I)c2ccccc2 34a_100010187914_100011933945 [0,2,0,0,0,0|2,0,0]=4 10289 B19R2.4409 O[C@H](COc1cccc(c1Br)I)c2ccccc2 7a_100010187914_100011933945 [0,2,0,0,0,0|2,0,0]=4 10290 B19R2.4409 O[C@H](COc1cccc(c1Cl)Br)c2ccccc2 34a_100010187913_100011933945 [0,2,0,0,0,0|2,0,0]=4 10291 B19R2.4409 O[C@H](COc1cccc(c1Cl)Br)c2ccccc2 7a_100010187913_100011933945 [0,2,0,0,0,0|2,0,0]=4 10292 B19R2.4409 O[C@H](COc1cccc(c1Cl)Cl)c2ccccc2 34a_100000211076_100011933945 [0,2,0,0,0,0|2,0,0]=4 10293 B19R2.4409 O[C@H](COc1cccc(c1Cl)Cl)c2ccccc2 7a_100000211076_100011933945 [0,2,0,0,0,0|2,0,0]=4 10294 B19R2.4409 O[C@H](COc1cccc(c1Cl)F)c2ccccc2 34a_100000087408_100011933945 [0,2,0,0,0,0|2,0,0]=4 10295 B19R2.4409 O[C@H](COc1cccc(c1Cl)F)c2ccccc2 7a_100000087408_100011933945 [0,2,0,0,0,0|2,0,0]=4 10296 B19R2.4409 O[C@H](COc1cccc(c1Cl)I)c2ccccc2 34a_100000049636_100011933945 [0,2,0,0,0,0|2,0,0]=4 10297 B19R2.4409 O[C@H](COc1cccc(c1Cl)I)c2ccccc2 7a_100000049636_100011933945 [0,2,0,0,0,0|2,0,0]=4 10298 B19R2.4409 O[C@H](COc1cccc(c1F)Br)c2ccccc2 34a_100009817021_100011933945 [0,2,0,0,0,0|2,0,0]=4 10299 B19R2.4409 O[C@H](COc1cccc(c1F)Br)c2ccccc2 7a_100009817021_100011933945 [0,2,0,0,0,0|2,0,0]=4 10300 B19R2.4409 O[C@H](COc1cccc(c1F)Cl)c2ccccc2 34a_100000687438_100011933945 [0,2,0,0,0,0|2,0,0]=4 10301 B19R2.4409 O[C@H](COc1cccc(c1F)Cl)c2ccccc2 7a_100000687438_100011933945 [0,2,0,0,0,0|2,0,0]=4 10302 B19R2.4409 O[C@H](COc1cccc(c1F)F)c2ccccc2 34a_100000751161_100011933945 [0,2,0,0,0,0|2,0,0]=4 10303 B19R2.4409 O[C@H](COc1cccc(c1F)F)c2ccccc2 7a_100000751161_100011933945 [0,2,0,0,0,0|2,0,0]=4 10304 B19R2.4409 O[C@H](COc1cccc(c1I)Br)c2ccccc2 34a_100010187912_100011933945 [0,2,0,0,0,0|2,0,0]=4 10305 B19R2.4409 O[C@H](COc1cccc(c1I)Br)c2ccccc2 7a_100010187912_100011933945 [0,2,0,0,0,0|2,0,0]=4 10306 B19R2.4409 O[C@H](COc1cccc(c1I)Cl)c2ccccc2 34a_100000050174_100011933945 [0,2,0,0,0,0|2,0,0]=4 10307 B19R2.4409 O[C@H](COc1cccc(c1I)Cl)c2ccccc2 7a_100000050174_100011933945 [0,2,0,0,0,0|2,0,0]=4 10308 B19R2.4409 O[C@H](COc1cccc(c1I)F)c2ccccc2 34a_100000690913_100011933945 [0,2,0,0,0,0|2,0,0]=4 10309 B19R2.4409 O[C@H](COc1cccc(c1I)F)c2ccccc2 7a_100000690913_100011933945 [0,2,0,0,0,0|2,0,0]=4 10310 B19R2.4409 O[C@H](CSc1cccc(c1Br)Cl)c2ccccc2 62a_100011933945_100014021842 [0,2,0,0,0,0|2,0,0]=4 10311 B19R2.4409 O[C@H](CSc1cccc(c1Br)Cl)c2ccccc2 62a_100014021842_100011933945 [0,2,0,0,0,0|2,0,0]=4 10312 B19R2.4409 O[C@H](CSc1cccc(c1Br)F)c2ccccc2 62a_100010202630_100011933945 [0,2,0,0,0,0|2,0,0]=4 10313 B19R2.4409 O[C@H](CSc1cccc(c1Br)F)c2ccccc2 62a_100011933945_100010202630 [0,2,0,0,0,0|2,0,0]=4 10314 B19R2.4409 O[C@H](CSc1cccc(c1Cl)Br)c2ccccc2 62a_100010142854_100011933945 [0,2,0,0,0,0|2,0,0]=4 10315 B19R2.4409 O[C@H](CSc1cccc(c1Cl)Br)c2ccccc2 62a_100011933945_100010142854 [0,2,0,0,0,0|2,0,0]=4 10316 B19R2.4409 O[C@H](CSc1cccc(c1Cl)Cl)c2ccccc2 62a_100011215384_100011933945 [0,2,0,0,0,0|2,0,0]=4 10317 B19R2.4409 O[C@H](CSc1cccc(c1Cl)Cl)c2ccccc2 62a_100011933945_100011215384 [0,2,0,0,0,0|2,0,0]=4 10318 B19R2.4409 O[C@H](CSc1cccc(c1Cl)F)c2ccccc2 62a_100011933945_200010234923 [0,2,0,0,0,0|2,0,0]=4 10319 B19R2.4409 O[C@H](CSc1cccc(c1Cl)F)c2ccccc2 62a_200010234923_100011933945 [0,2,0,0,0,0|2,0,0]=4 10320 B19R2.4409 O[C@H](CSc1cccc(c1F)Br)c2ccccc2 62a_100000702267_100011933945 [0,2,0,0,0,0|2,0,0]=4 10321 B19R2.4409 O[C@H](CSc1cccc(c1F)Br)c2ccccc2 62a_100011933945_100000702267 [0,2,0,0,0,0|2,0,0]=4 10322 B19R2.4409 O[C@H](CSc1cccc(c1F)Cl)c2ccccc2 62a_100011217346_100011933945 [0,2,0,0,0,0|2,0,0]=4 10323 B19R2.4409 O[C@H](CSc1cccc(c1F)Cl)c2ccccc2 62a_100011933945_100011217346 [0,2,0,0,0,0|2,0,0]=4 10324 B19R2.4409 O[C@H](CSc1cccc(c1F)F)c2ccccc2 62a_100000694657_100011933945 [0,2,0,0,0,0|2,0,0]=4 10325 B19R2.4409 O[C@H](CSc1cccc(c1F)F)c2ccccc2 62a_100011933945_100000694657 [0,2,0,0,0,0|2,0,0]=4 10326 B19R2.4409 Oc1c(cccc1NCC(O)c2ccccc2)Br 34a_100011934915_100000185958 [0,2,0,0,0,0|1,0,0]=3 10327 B19R2.4409 Oc1c(cccc1NCC(O)c2ccccc2)Cl 34a_100000754742_100000185958 [0,2,0,0,0,0|1,0,0]=3 10328 B19R2.4409 Oc1c(cccc1NCC(O)c2ccccc2)F 34a_100011934987_100000185958 [0,2,0,0,0,0|1,0,0]=3 10329 B19R2.4409 Oc1c(cccc1NC[C@@H](O)c2ccccc2)Br 34a_100011934915_100011933945 [0,2,0,0,0,0|1,0,0]=3 10330 B19R2.4409 Oc1c(cccc1NC[C@@H](O)c2ccccc2)Cl 34a_100000754742_100011933945 [0,2,0,0,0,0|1,0,0]=3 10331 B19R2.4409 Oc1c(cccc1NC[C@@H](O)c2ccccc2)F 34a_100011934987_100011933945 [0,2,0,0,0,0|1,0,0]=3 10332 B19R2.4409 Oc1c(cccc1SCC(O)c2ccccc2)Br 62a_100000185958_100010084509 [0,2,0,0,0,0|2,0,0]=4 10333 B19R2.4409 Oc1c(cccc1SCC(O)c2ccccc2)Br 62a_100010084509_100000185958 [0,2,0,0,0,0|2,0,0]=4 10334 B19R2.4409 Oc1c(cccc1SCC(O)c2ccccc2)Cl 62a_100000185958_100010202889 [0,2,0,0,0,0|2,0,0]=4 10335 B19R2.4409 Oc1c(cccc1SCC(O)c2ccccc2)Cl 62a_100010202889_100000185958 [0,2,0,0,0,0|2,0,0]=4 10336 B19R2.4409 Oc1c(cccc1SCC(O)c2ccccc2)F 62a_100000185958_100009813666 [0,2,0,0,0,0|2,0,0]=4 10337 B19R2.4409 Oc1c(cccc1SCC(O)c2ccccc2)F 62a_100009813666_100000185958 [0,2,0,0,0,0|2,0,0]=4 10338 B19R2.4409 Oc1c(cccc1SC[C@@H](O)c2ccccc2)Br 62a_100010084509_100011933945 [0,2,0,0,0,0|2,0,0]=4 10339 B19R2.4409 Oc1c(cccc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010084509 [0,2,0,0,0,0|2,0,0]=4 10340 B19R2.4409 Oc1c(cccc1SC[C@@H](O)c2ccccc2)Cl 62a_100010202889_100011933945 [0,2,0,0,0,0|2,0,0]=4 10341 B19R2.4409 Oc1c(cccc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010202889 [0,2,0,0,0,0|2,0,0]=4 10342 B19R2.4409 Oc1c(cccc1SC[C@@H](O)c2ccccc2)F 62a_100009813666_100011933945 [0,2,0,0,0,0|2,0,0]=4 10343 B19R2.4409 Oc1c(cccc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009813666 [0,2,0,0,0,0|2,0,0]=4 10344 B19R2.4409 Oc1c(ccnc1SCC(O)c2ccccc2)F 62a_100000185958_100009867227 [0,2,0,0,0,0|1,0,0]=3 10345 B19R2.4409 Oc1c(ccnc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009867227 [0,2,0,0,0,0|1,0,0]=3 10346 B19R2.4409 Oc1cccc(c1Br)NCC(O)c2ccccc2 34a_100012183704_100000185958 [0,2,0,0,0,0|1,0,0]=3 10347 B19R2.4409 Oc1cccc(c1Br)NCC(O)c2ccccc2 7a_100012183704_100000185958 [0,2,0,0,0,0|1,0,0]=3 10348 B19R2.4409 Oc1cccc(c1Br)NC[C@@H](O)c2ccccc2 34a_100012183704_100011933945 [0,2,0,0,0,0|1,0,0]=3 10349 B19R2.4409 Oc1cccc(c1Br)NC[C@@H](O)c2ccccc2 7a_100012183704_100011933945 [0,2,0,0,0,0|1,0,0]=3 10350 B19R2.4409 Oc1cccc(c1Br)SCC(O)c2ccccc2 62a_100000185958_100010187914 [0,2,0,0,0,0|2,0,0]=4 10351 B19R2.4409 Oc1cccc(c1Br)SCC(O)c2ccccc2 62a_100010187914_100000185958 [0,2,0,0,0,0|2,0,0]=4 10352 B19R2.4409 Oc1cccc(c1Br)SC[C@@H](O)c2ccccc2 62a_100010187914_100011933945 [0,2,0,0,0,0|2,0,0]=4 10353 B19R2.4409 Oc1cccc(c1Br)SC[C@@H](O)c2ccccc2 62a_100011933945_100010187914 [0,2,0,0,0,0|2,0,0]=4 10354 B19R2.4409 Oc1cccc(c1Cl)NCC(O)c2ccccc2 34a_100012002038_100000185958 [0,2,0,0,0,0|1,0,0]=3 10355 B19R2.4409 Oc1cccc(c1Cl)NCC(O)c2ccccc2 7a_100012002038_100000185958 [0,2,0,0,0,0|1,0,0]=3 10356 B19R2.4409 Oc1cccc(c1Cl)NC[C@@H](O)c2ccccc2 34a_100012002038_100011933945 [0,2,0,0,0,0|1,0,0]=3 10357 B19R2.4409 Oc1cccc(c1Cl)NC[C@@H](O)c2ccccc2 7a_100012002038_100011933945 [0,2,0,0,0,0|1,0,0]=3 10358 B19R2.4409 Oc1cccc(c1Cl)SCC(O)c2ccccc2 62a_100000185958_100000049636 [0,2,0,0,0,0|2,0,0]=4 10359 B19R2.4409 Oc1cccc(c1Cl)SC[C@@H](O)c2ccccc2 62a_100011933945_100000049636 [0,2,0,0,0,0|2,0,0]=4 10360 B19R2.4409 Oc1cccc(c1F)SCC(O)c2ccccc2 62a_100000185958_100009817021 [0,2,0,0,0,0|2,0,0]=4 10361 B19R2.4409 Oc1cccc(c1F)SCC(O)c2ccccc2 62a_100009817021_100000185958 [0,2,0,0,0,0|2,0,0]=4 10362 B19R2.4409 Oc1cccc(c1F)SC[C@@H](O)c2ccccc2 62a_100009817021_100011933945 [0,2,0,0,0,0|2,0,0]=4 10363 B19R2.4409 Oc1cccc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009817021 [0,2,0,0,0,0|2,0,0]=4 10364 B19R2.4409 Oc1cccc(c1O)SCC(O)c2ccccc2 62a_100000185958_100009815950 [0,2,0,0,0,0|2,0,0]=4 10365 B19R2.4409 Oc1cccc(c1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009815950 [0,2,0,0,0,0|2,0,0]=4 10366 B19R2.4409 Oc1ccnc(c1F)SCC(O)c2ccccc2 62a_100000185958_100009876375 [0,2,0,0,0,0|1,0,0]=3 10367 B19R2.4409 Oc1ccnc(c1F)SCC(O)c2ccccc2 62a_100009876375_100000185958 [0,2,0,0,0,0|1,0,0]=3 10368 B19R2.4409 Oc1ccnc(c1F)SC[C@@H](O)c2ccccc2 62a_100009876375_100011933945 [0,2,0,0,0,0|1,0,0]=3 10369 B19R2.4409 Oc1ccnc(c1F)SC[C@@H](O)c2ccccc2 62a_100011933945_100009876375 [0,2,0,0,0,0|1,0,0]=3 10370 B19R2.4478 CC(C)(CNc1ncccc1Br)c2ccccc2 27a_100011211644_100000696092 [0,2,0,0,0,0|1,0,0]=3 10371 B19R2.4478 CC(C)(CNc1nccnc1F)c2ccccc2 27a_100011211644_200010125657 [0,2,0,0,0,0|2,0,0]=4 10372 B19R2.4478 CC(C)(CNc1ncncc1F)c2ccccc2 27a_100011211644_100000069762 [0,2,0,0,0,0|2,0,0]=4 10373 B19R2.4478 CC(C)(CNc1ncncc1N)c2ccccc2 27a_100011211644_100000709731 [0,2,0,0,0,0|2,0,0]=4 10374 B19R2.4478 CC(C)(CSc1ncccc1Br)c2ccccc2 62a_100000696092_100000703224 [0,2,0,0,0,0|2,0,0]=4 10375 B19R2.4478 CC(C)(CSc1ncccc1Br)c2ccccc2 62a_100000703224_100000696092 [0,2,0,0,0,0|2,0,0]=4 10376 B19R2.4478 CC(C)(CSc1ncccc1Cl)c2ccccc2 62a_100000703224_100011356963 [0,2,0,0,0,0|2,0,0]=4 10377 B19R2.4478 CC(C)(CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100000703224 [0,2,0,0,0,0|2,0,0]=4 10378 B19R2.4478 CC(C)(CSc1ncccc1F)c2ccccc2 62a_100000685392_100000703224 [0,2,0,0,0,0|2,0,0]=4 10379 B19R2.4478 CC(C)(CSc1ncccc1F)c2ccccc2 62a_100000703224_100000685392 [0,2,0,0,0,0|2,0,0]=4 10380 B19R2.4478 CC(C)(CSc1ncccc1N)c2ccccc2 62a_100000688686_100000703224 [0,2,0,0,0,0|2,0,0]=4 10381 B19R2.4478 CC(C)(CSc1ncccc1N)c2ccccc2 62a_100000703224_100000688686 [0,2,0,0,0,0|2,0,0]=4 10382 B19R2.4478 CC(C)(CSc1ncccc1O)c2ccccc2 62a_100000034122_100000703224 [0,2,0,0,0,0|2,0,0]=4 10383 B19R2.4478 CC(C)(CSc1ncccc1O)c2ccccc2 62a_100000703224_100000034122 [0,2,0,0,0,0|2,0,0]=4 10384 B19R2.4478 CC(O)(CNc1ccncc1Br)c2ccccc2 27a_100011660926_100000726257 [0,2,0,0,0,0|2,0,0]=4 10385 B19R2.4478 CC(O)(CNc1ccncc1F)c2ccccc2 27a_100011660926_100000035921 [0,2,0,0,0,0|2,0,0]=4 10386 B19R2.4478 CC(O)(CNc1ncccc1Br)c2ccccc2 27a_100011660926_100000696092 [0,2,0,0,0,0|0,0,0]=2 10387 B19R2.4478 CC(O)(CNc1nccnc1F)c2ccccc2 27a_100011660926_200010125657 [0,2,0,0,0,0|1,0,0]=3 10388 B19R2.4478 CC(O)(CNc1ncncc1F)c2ccccc2 27a_100011660926_100000069762 [0,2,0,0,0,0|1,0,0]=3 10389 B19R2.4478 CC(O)(CNc1ncncc1N)c2ccccc2 27a_100011660926_100000709731 [0,2,0,0,0,0|1,0,0]=3 10390 B19R2.4478 Cc1ccccc1NCC(F)(F)c2ccccc2 34a_100015192222_100009875531 [0,2,0,0,0,0|2,0,0]=4 10391 B19R2.4478 Cc1cccnc1SCC(C)(C)c2ccccc2 62a_100000703224_100000751373 [0,2,0,0,0,0|2,0,0]=4 10392 B19R2.4478 Cc1cccnc1SCC(C)(C)c2ccccc2 62a_100000751373_100000703224 [0,2,0,0,0,0|2,0,0]=4 10393 B19R2.4478 Cc1cccnc1SCC(F)(F)c2ccccc2 62a_100000751373_100009875531 [0,2,0,0,0,0|2,0,0]=4 10394 B19R2.4478 Cc1cccnc1SCC(F)(F)c2ccccc2 62a_100009875531_100000751373 [0,2,0,0,0,0|2,0,0]=4 10395 B19R2.4478 Cc1ccnnc1NCC(C)(C)c2ccccc2 27a_100011211644_100000089043 [0,2,0,0,0,0|2,0,0]=4 10396 B19R2.4478 Cc1ccnnc1NCC(C)(O)c2ccccc2 27a_100011660926_100000089043 [0,2,0,0,0,0|1,0,0]=3 10397 B19R2.4478 Cc1ccnnc1NCC(F)(F)c2ccccc2 27a_100000717977_100000089043 [0,2,0,0,0,0|2,0,0]=4 10398 B19R2.4478 Cc1cnccc1NCC(C)(O)c2ccccc2 27a_100011660926_100000765111 [0,2,0,0,0,0|2,0,0]=4 10399 B19R2.4478 Cc1cncnc1NCC(C)(C)c2ccccc2 27a_100011211644_100011998708 [0,2,0,0,0,0|2,0,0]=4 10400 B19R2.4478 Cc1cncnc1NCC(C)(O)c2ccccc2 27a_100011660926_100011998708 [0,2,0,0,0,0|1,0,0]=3 10401 B19R2.4478 Cc1cncnc1NCC(F)(F)c2ccccc2 27a_100000717977_100011998708 [0,2,0,0,0,0|2,0,0]=4 10402 B19R2.4478 Cc1nccnc1NCC(C)(C)c2ccccc2 27a_100011211644_100011999405 [0,2,0,0,0,0|2,0,0]=4 10403 B19R2.4478 Cc1nccnc1NCC(C)(O)c2ccccc2 27a_100011660926_100011999405 [0,2,0,0,0,0|1,0,0]=3 10404 B19R2.4478 Cc1nccnc1NCC(F)(F)c2ccccc2 27a_100000717977_100011999405 [0,2,0,0,0,0|2,0,0]=4 10405 B19R2.4478 FC(F)(CNc1ccccc1Br)c2ccccc2 34a_100000210017_100009875531 [0,2,0,0,0,0|2,0,0]=4 10406 B19R2.4478 FC(F)(CNc1ccccc1Cl)c2ccccc2 34a_100000185783_100009875531 [0,2,0,0,0,0|2,0,0]=4 10407 B19R2.4478 FC(F)(CNc1ccccc1I)c2ccccc2 34a_100000210053_100009875531 [0,2,0,0,0,0|2,0,0]=4 10408 B19R2.4478 FC(F)(CNc1ncccc1Br)c2ccccc2 27a_100000717977_100000696092 [0,2,0,0,0,0|1,0,0]=3 10409 B19R2.4478 FC(F)(COc1ncccc1Cl)c2ccccc2 34a_100011290957_100009875531 [0,2,0,0,0,0|2,0,0]=4 10410 B19R2.4478 FC(F)(CSc1ncccc1Br)c2ccccc2 62a_100000696092_100009875531 [0,2,0,0,0,0|2,0,0]=4 10411 B19R2.4478 FC(F)(CSc1ncccc1Br)c2ccccc2 62a_100009875531_100000696092 [0,2,0,0,0,0|2,0,0]=4 10412 B19R2.4478 FC(F)(CSc1ncccc1Cl)c2ccccc2 62a_100009875531_100011356963 [0,2,0,0,0,0|2,0,0]=4 10413 B19R2.4478 FC(F)(CSc1ncccc1Cl)c2ccccc2 62a_100011356963_100009875531 [0,2,0,0,0,0|2,0,0]=4 10414 B19R2.4478 Fc1ccccc1NCC(F)(F)c2ccccc2 34a_100000210422_100009875531 [0,2,0,0,0,0|2,0,0]=4 10415 B19R2.4478 Fc1cccnc1OCC(F)(F)c2ccccc2 34a_100011219419_100009875531 [0,2,0,0,0,0|2,0,0]=4 10416 B19R2.4478 Fc1cccnc1SCC(F)(F)c2ccccc2 62a_100000685392_100009875531 [0,2,0,0,0,0|2,0,0]=4 10417 B19R2.4478 Fc1cccnc1SCC(F)(F)c2ccccc2 62a_100009875531_100000685392 [0,2,0,0,0,0|2,0,0]=4 10418 B19R2.4478 Fc1cncnc1NCC(F)(F)c2ccccc2 27a_100000717977_100000069762 [0,2,0,0,0,0|2,0,0]=4 10419 B19R2.4478 Fc1nccnc1NCC(F)(F)c2ccccc2 27a_100000717977_200010125657 [0,2,0,0,0,0|2,0,0]=4 10420 B19R2.4478 Nc1cccnc1OCC(F)(F)c2ccccc2 34a_100000746358_100009875531 [0,2,0,0,0,0|2,0,0]=4 10421 B19R2.4478 Nc1cccnc1SCC(F)(F)c2ccccc2 62a_100000688686_100009875531 [0,2,0,0,0,0|2,0,0]=4 10422 B19R2.4478 Nc1cccnc1SCC(F)(F)c2ccccc2 62a_100009875531_100000688686 [0,2,0,0,0,0|2,0,0]=4 10423 B19R2.4478 Nc1cncnc1NCC(F)(F)c2ccccc2 27a_100000717977_100000709731 [0,2,0,0,0,0|2,0,0]=4 10424 B19R2.4478 Oc1ccccc1NCC(F)(F)c2ccccc2 34a_100000185747_100009875531 [0,2,0,0,0,0|2,0,0]=4 10425 B19R2.4478 Oc1cccnc1SCC(F)(F)c2ccccc2 62a_100000034122_100009875531 [0,2,0,0,0,0|2,0,0]=4 10426 B19R2.4478 Oc1cccnc1SCC(F)(F)c2ccccc2 62a_100009875531_100000034122 [0,2,0,0,0,0|2,0,0]=4 10427 B19R2.5650 Cc1ccccc1NC(=O)[C@H](O)c2ccccc2 22a_100015192222_100000684486 [0,2,0,0,0,0|1,0,1]=4 10428 B19R2.5650 Cc1cccnc1CC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000696600 [0,2,0,0,0,0|1,0,1]=4 10429 B19R2.5650 O=C(Cc1ncccc1Br)[C@H](O)c2ccccc2 1458a_100000684486_100025702911 [0,2,0,0,0,0|1,0,1]=4 10430 B19R2.5650 O=C(Cc1ncccc1Cl)[C@H](O)c2ccccc2 1458a_100000684486_100000099807 [0,2,0,0,0,0|1,0,1]=4 10431 B19R2.5650 O=C(Cc1ncccc1F)[C@H](O)c2ccccc2 1458a_100000684486_100000104219 [0,2,0,0,0,0|1,0,1]=4 10432 B19R2.5650 O=C(Cc1ncccc1O)[C@H](O)c2ccccc2 1458a_100000684486_200020655725 [0,2,0,0,0,0|1,0,1]=4 10433 B19R2.5650 O=C(Nc1ccccc1Cl)[C@H](O)c2ccccc2 22a_100000185783_100000684486 [0,2,0,0,0,0|1,0,1]=4 10434 B19R2.5650 O=C(Nc1ccccc1F)[C@H](O)c2ccccc2 22a_100000210422_100000684486 [0,2,0,0,0,0|1,0,1]=4 10435 B19R2.5650 O=C(Nc1ccccc1O)[C@H](O)c2ccccc2 22a_100000185747_100000684486 [0,2,0,0,0,0|1,0,1]=4 10436 B19R2.7678 CC(CNc1c(cccc1Br)F)c2ccccc2 34a_100000684712_100000756946 [0,2,0,0,0,0|2,0,0]=4 10437 B19R2.7678 CC(CNc1c(cccc1Br)O)c2ccccc2 34a_100011934926_100000756946 [0,2,0,0,0,0|2,0,0]=4 10438 B19R2.7678 CC(CNc1c(cccc1Cl)F)c2ccccc2 34a_100000760031_100000756946 [0,2,0,0,0,0|2,0,0]=4 10439 B19R2.7678 CC(CNc1c(cccc1Cl)O)c2ccccc2 34a_100012022510_100000756946 [0,2,0,0,0,0|2,0,0]=4 10440 B19R2.7678 CC(CNc1c(cccc1F)F)c2ccccc2 2230a_100000210704_100000756946 [0,2,0,0,0,0|2,0,0]=4 10441 B19R2.7678 CC(CNc1c(cccc1F)F)c2ccccc2 34a_100000210704_100000756946 [0,2,0,0,0,0|2,0,0]=4 10442 B19R2.7678 CC(CNc1c(cccc1F)O)c2ccccc2 34a_100020591140_100000756946 [0,2,0,0,0,0|2,0,0]=4 10443 B19R2.7678 CC(CNc1c(cccc1I)F)c2ccccc2 34a_100000042321_100000756946 [0,2,0,0,0,0|2,0,0]=4 10444 B19R2.7678 Cc1ccc[n+](c1SCC(O)c2ccccc2)[O-] 62a_100000185958_100116209805 [0,2,0,0,0,0|1,0,1]=4 10445 B19R2.7678 Cc1ccc[n+](c1SC[C@@H](O)c2ccccc2)[O-] 62a_100011933945_100116209805 [0,2,0,0,0,0|1,0,1]=4 10446 B19R2.7678 Cc1cccc(c1NCC(C)c2ccccc2)Br 34a_100011834072_100000756946 [0,2,0,0,0,0|2,0,0]=4 10447 B19R2.7678 Cc1cccc(c1NCC(C)c2ccccc2)C 34a_100000185769_100000756946 [0,2,0,0,0,0|2,0,0]=4 10448 B19R2.7678 Cc1cccc(c1NCC(C)c2ccccc2)Cl 34a_100000756524_100000756946 [0,2,0,0,0,0|2,0,0]=4 10449 B19R2.7678 Cc1cccc(c1NCC(C)c2ccccc2)F 34a_100000766463_100000756946 [0,2,0,0,0,0|2,0,0]=4 10450 B19R2.7678 Cc1cccc(c1NCC(C)c2ccccc2)O 34a_100000743429_100000756946 [0,2,0,0,0,0|2,0,0]=4 10451 B19R2.7678 Cc1cccc(c1NCC(O)c2ccccc2)Br 34a_100011834072_100000185958 [0,2,0,0,0,0|1,0,0]=3 10452 B19R2.7678 Cc1cccc(c1NCC(O)c2ccccc2)C 34a_100000185769_100000185958 [0,2,0,0,0,0|1,0,0]=3 10453 B19R2.7678 Cc1cccc(c1NCC(O)c2ccccc2)Cl 34a_100000756524_100000185958 [0,2,0,0,0,0|1,0,0]=3 10454 B19R2.7678 Cc1cccc(c1NCC(O)c2ccccc2)F 34a_100000766463_100000185958 [0,2,0,0,0,0|1,0,0]=3 10455 B19R2.7678 Cc1cccc(c1NCC(O)c2ccccc2)O 34a_100000743429_100000185958 [0,2,0,0,0,0|1,0,0]=3 10456 B19R2.7678 Cc1cccc(c1NC[C@@H](O)c2ccccc2)Br 34a_100011834072_100011933945 [0,2,0,0,0,0|1,0,0]=3 10457 B19R2.7678 Cc1cccc(c1NC[C@@H](O)c2ccccc2)C 34a_100000185769_100011933945 [0,2,0,0,0,0|1,0,0]=3 10458 B19R2.7678 Cc1cccc(c1NC[C@@H](O)c2ccccc2)Cl 34a_100000756524_100011933945 [0,2,0,0,0,0|1,0,0]=3 10459 B19R2.7678 Cc1cccc(c1NC[C@@H](O)c2ccccc2)F 34a_100000766463_100011933945 [0,2,0,0,0,0|1,0,0]=3 10460 B19R2.7678 Cc1cccc(c1NC[C@@H](O)c2ccccc2)O 34a_100000743429_100011933945 [0,2,0,0,0,0|1,0,0]=3 10461 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)Br 34a_100009817157_100000185958 [0,2,0,0,0,0|2,0,0]=4 10462 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)Br 7a_100009817157_100000185958 [0,2,0,0,0,0|2,0,0]=4 10463 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)C 34a_100000210341_100000185958 [0,2,0,0,0,0|2,0,0]=4 10464 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)C 7a_100000210341_100000185958 [0,2,0,0,0,0|2,0,0]=4 10465 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)Cl 34a_100000033731_100000185958 [0,2,0,0,0,0|2,0,0]=4 10466 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)Cl 7a_100000033731_100000185958 [0,2,0,0,0,0|2,0,0]=4 10467 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)F 34a_100011659162_100000185958 [0,2,0,0,0,0|2,0,0]=4 10468 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)F 7a_100011659162_100000185958 [0,2,0,0,0,0|2,0,0]=4 10469 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)N 34a_100000756359_100000185958 [0,2,0,0,0,0|2,0,0]=4 10470 B19R2.7678 Cc1cccc(c1OCC(O)c2ccccc2)N 7a_100000756359_100000185958 [0,2,0,0,0,0|2,0,0]=4 10471 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)Br 34a_100009817157_100011933945 [0,2,0,0,0,0|2,0,0]=4 10472 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)Br 7a_100009817157_100011933945 [0,2,0,0,0,0|2,0,0]=4 10473 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)C 34a_100000210341_100011933945 [0,2,0,0,0,0|2,0,0]=4 10474 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)C 7a_100000210341_100011933945 [0,2,0,0,0,0|2,0,0]=4 10475 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)Cl 34a_100000033731_100011933945 [0,2,0,0,0,0|2,0,0]=4 10476 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)Cl 7a_100000033731_100011933945 [0,2,0,0,0,0|2,0,0]=4 10477 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)F 34a_100011659162_100011933945 [0,2,0,0,0,0|2,0,0]=4 10478 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)F 7a_100011659162_100011933945 [0,2,0,0,0,0|2,0,0]=4 10479 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)N 34a_100000756359_100011933945 [0,2,0,0,0,0|2,0,0]=4 10480 B19R2.7678 Cc1cccc(c1OC[C@@H](O)c2ccccc2)N 7a_100000756359_100011933945 [0,2,0,0,0,0|2,0,0]=4 10481 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)Br 62a_100000185958_100010141302 [0,2,0,0,0,0|2,0,0]=4 10482 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)Br 62a_100010141302_100000185958 [0,2,0,0,0,0|2,0,0]=4 10483 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)C 62a_100000033847_100000185958 [0,2,0,0,0,0|2,0,0]=4 10484 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)C 62a_100000185958_100000033847 [0,2,0,0,0,0|2,0,0]=4 10485 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)Cl 62a_100000043165_100000185958 [0,2,0,0,0,0|2,0,0]=4 10486 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)Cl 62a_100000185958_100000043165 [0,2,0,0,0,0|2,0,0]=4 10487 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)F 62a_100000185958_100011218421 [0,2,0,0,0,0|2,0,0]=4 10488 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)F 62a_100011218421_100000185958 [0,2,0,0,0,0|2,0,0]=4 10489 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)N 62a_100000185958_100000684715 [0,2,0,0,0,0|2,0,0]=4 10490 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)N 62a_100000684715_100000185958 [0,2,0,0,0,0|2,0,0]=4 10491 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)O 62a_100000185958_100000686692 [0,2,0,0,0,0|2,0,0]=4 10492 B19R2.7678 Cc1cccc(c1SCC(O)c2ccccc2)O 62a_100000686692_100000185958 [0,2,0,0,0,0|2,0,0]=4 10493 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)Br 62a_100010141302_100011933945 [0,2,0,0,0,0|2,0,0]=4 10494 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010141302 [0,2,0,0,0,0|2,0,0]=4 10495 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)C 62a_100000033847_100011933945 [0,2,0,0,0,0|2,0,0]=4 10496 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)C 62a_100011933945_100000033847 [0,2,0,0,0,0|2,0,0]=4 10497 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)Cl 62a_100000043165_100011933945 [0,2,0,0,0,0|2,0,0]=4 10498 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000043165 [0,2,0,0,0,0|2,0,0]=4 10499 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)F 62a_100011218421_100011933945 [0,2,0,0,0,0|2,0,0]=4 10500 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100011218421 [0,2,0,0,0,0|2,0,0]=4 10501 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)N 62a_100000684715_100011933945 [0,2,0,0,0,0|2,0,0]=4 10502 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000684715 [0,2,0,0,0,0|2,0,0]=4 10503 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)O 62a_100000686692_100011933945 [0,2,0,0,0,0|2,0,0]=4 10504 B19R2.7678 Cc1cccc(c1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100000686692 [0,2,0,0,0,0|2,0,0]=4 10505 B19R2.7678 Cc1ccnc(c1NCC(O)c2ccccc2)F 27a_100000210709_100009818256 [0,2,0,0,0,0|2,0,0]=4 10506 B19R2.7678 Nc1cccc(c1OCC(O)c2ccccc2)Br 34a_100011934915_100000185958 [0,2,0,0,0,0|2,0,0]=4 10507 B19R2.7678 Nc1cccc(c1OCC(O)c2ccccc2)Cl 34a_100000754742_100000185958 [0,2,0,0,0,0|2,0,0]=4 10508 B19R2.7678 Nc1cccc(c1OCC(O)c2ccccc2)F 34a_100011934987_100000185958 [0,2,0,0,0,0|2,0,0]=4 10509 B19R2.7678 Nc1cccc(c1OCC(O)c2ccccc2)I 34a_100010084371_100000185958 [0,2,0,0,0,0|2,0,0]=4 10510 B19R2.7678 Nc1cccc(c1OCC(O)c2ccccc2)N 34a_200016994477_100000185958 [0,2,0,0,0,0|2,0,0]=4 10511 B19R2.7678 Nc1cccc(c1OC[C@@H](O)c2ccccc2)Br 34a_100011934915_100011933945 [0,2,0,0,0,0|2,0,0]=4 10512 B19R2.7678 Nc1cccc(c1OC[C@@H](O)c2ccccc2)Cl 34a_100000754742_100011933945 [0,2,0,0,0,0|2,0,0]=4 10513 B19R2.7678 Nc1cccc(c1OC[C@@H](O)c2ccccc2)F 34a_100011934987_100011933945 [0,2,0,0,0,0|2,0,0]=4 10514 B19R2.7678 Nc1cccc(c1OC[C@@H](O)c2ccccc2)I 34a_100010084371_100011933945 [0,2,0,0,0,0|2,0,0]=4 10515 B19R2.7678 Nc1cccc(c1OC[C@@H](O)c2ccccc2)N 34a_200016994477_100011933945 [0,2,0,0,0,0|2,0,0]=4 10516 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)Br 62a_100000185958_100020590159 [0,2,0,0,0,0|2,0,0]=4 10517 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)Br 62a_100020590159_100000185958 [0,2,0,0,0,0|2,0,0]=4 10518 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)Cl 62a_100000049713_100000185958 [0,2,0,0,0,0|2,0,0]=4 10519 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)Cl 62a_100000185958_100000049713 [0,2,0,0,0,0|2,0,0]=4 10520 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)F 62a_100000185958_100000690935 [0,2,0,0,0,0|2,0,0]=4 10521 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)F 62a_100000690935_100000185958 [0,2,0,0,0,0|2,0,0]=4 10522 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)O 62a_100000185958_100012183704 [0,2,0,0,0,0|2,0,0]=4 10523 B19R2.7678 Nc1cccc(c1SCC(O)c2ccccc2)O 62a_100012183704_100000185958 [0,2,0,0,0,0|2,0,0]=4 10524 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100020590159 [0,2,0,0,0,0|2,0,0]=4 10525 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)Br 62a_100020590159_100011933945 [0,2,0,0,0,0|2,0,0]=4 10526 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)Cl 62a_100000049713_100011933945 [0,2,0,0,0,0|2,0,0]=4 10527 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000049713 [0,2,0,0,0,0|2,0,0]=4 10528 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)F 62a_100000690935_100011933945 [0,2,0,0,0,0|2,0,0]=4 10529 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000690935 [0,2,0,0,0,0|2,0,0]=4 10530 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100012183704 [0,2,0,0,0,0|2,0,0]=4 10531 B19R2.7678 Nc1cccc(c1SC[C@@H](O)c2ccccc2)O 62a_100012183704_100011933945 [0,2,0,0,0,0|2,0,0]=4 10532 B19R2.7678 OC(CNc1c(cccc1Br)Br)c2ccccc2 34a_100000690995_100000185958 [0,2,0,0,0,0|1,0,0]=3 10533 B19R2.7678 OC(CNc1c(cccc1Br)Cl)c2ccccc2 34a_100102946385_100000185958 [0,2,0,0,0,0|1,0,0]=3 10534 B19R2.7678 OC(CNc1c(cccc1Br)F)c2ccccc2 34a_100000684712_100000185958 [0,2,0,0,0,0|1,0,0]=3 10535 B19R2.7678 OC(CNc1c(cccc1Cl)Cl)c2ccccc2 34a_100000210028_100000185958 [0,2,0,0,0,0|1,0,0]=3 10536 B19R2.7678 OC(CNc1c(cccc1Cl)F)c2ccccc2 34a_100000760031_100000185958 [0,2,0,0,0,0|1,0,0]=3 10537 B19R2.7678 OC(CNc1c(cccc1F)F)c2ccccc2 2230a_100000210704_100000185958 [0,2,0,0,0,0|1,0,0]=3 10538 B19R2.7678 OC(CNc1c(cccc1F)F)c2ccccc2 34a_100000210704_100000185958 [0,2,0,0,0,0|1,0,0]=3 10539 B19R2.7678 OC(CNc1c(cccc1I)F)c2ccccc2 34a_100000042321_100000185958 [0,2,0,0,0,0|1,0,0]=3 10540 B19R2.7678 OC(CNc1c(ccnc1F)F)c2ccccc2 27a_100000210709_100009874084 [0,2,0,0,0,0|2,0,0]=4 10541 B19R2.7678 OC(COc1c(cccc1Br)Br)c2ccccc2 34a_100000736428_100000185958 [0,2,0,0,0,0|2,0,0]=4 10542 B19R2.7678 OC(COc1c(cccc1Br)Br)c2ccccc2 7a_100000736428_100000185958 [0,2,0,0,0,0|2,0,0]=4 10543 B19R2.7678 OC(COc1c(cccc1Br)Cl)c2ccccc2 34a_100010214474_100000185958 [0,2,0,0,0,0|2,0,0]=4 10544 B19R2.7678 OC(COc1c(cccc1Br)Cl)c2ccccc2 7a_100010214474_100000185958 [0,2,0,0,0,0|2,0,0]=4 10545 B19R2.7678 OC(COc1c(cccc1Br)F)c2ccccc2 34a_100009813666_100000185958 [0,2,0,0,0,0|2,0,0]=4 10546 B19R2.7678 OC(COc1c(cccc1Br)F)c2ccccc2 7a_100009813666_100000185958 [0,2,0,0,0,0|2,0,0]=4 10547 B19R2.7678 OC(COc1c(cccc1Cl)Cl)c2ccccc2 34a_100000211709_100000185958 [0,2,0,0,0,0|2,0,0]=4 10548 B19R2.7678 OC(COc1c(cccc1Cl)Cl)c2ccccc2 7a_100000211709_100000185958 [0,2,0,0,0,0|2,0,0]=4 10549 B19R2.7678 OC(COc1c(cccc1Cl)F)c2ccccc2 34a_100000694953_100000185958 [0,2,0,0,0,0|2,0,0]=4 10550 B19R2.7678 OC(COc1c(cccc1Cl)F)c2ccccc2 7a_100000694953_100000185958 [0,2,0,0,0,0|2,0,0]=4 10551 B19R2.7678 OC(COc1c(cccc1F)F)c2ccccc2 34a_100000230165_100000185958 [0,2,0,0,0,0|2,0,0]=4 10552 B19R2.7678 OC(COc1c(cccc1F)F)c2ccccc2 7a_100000230165_100000185958 [0,2,0,0,0,0|2,0,0]=4 10553 B19R2.7678 OC(COc1c(cccc1I)Br)c2ccccc2 34a_100010084509_100000185958 [0,2,0,0,0,0|2,0,0]=4 10554 B19R2.7678 OC(COc1c(cccc1I)Br)c2ccccc2 7a_100010084509_100000185958 [0,2,0,0,0,0|2,0,0]=4 10555 B19R2.7678 OC(COc1c(cccc1I)Cl)c2ccccc2 34a_100010202889_100000185958 [0,2,0,0,0,0|2,0,0]=4 10556 B19R2.7678 OC(COc1c(cccc1I)Cl)c2ccccc2 7a_100010202889_100000185958 [0,2,0,0,0,0|2,0,0]=4 10557 B19R2.7678 OC(COc1c(cccc1I)F)c2ccccc2 34a_100010186298_100000185958 [0,2,0,0,0,0|2,0,0]=4 10558 B19R2.7678 OC(COc1c(cccc1I)F)c2ccccc2 7a_100010186298_100000185958 [0,2,0,0,0,0|2,0,0]=4 10559 B19R2.7678 OC(CSc1c(cccc1Br)Cl)c2ccccc2 62a_100000185958_100010214488 [0,2,0,0,0,0|2,0,0]=4 10560 B19R2.7678 OC(CSc1c(cccc1Br)Cl)c2ccccc2 62a_100010214488_100000185958 [0,2,0,0,0,0|2,0,0]=4 10561 B19R2.7678 OC(CSc1c(cccc1Br)F)c2ccccc2 62a_100000185958_100011219512 [0,2,0,0,0,0|2,0,0]=4 10562 B19R2.7678 OC(CSc1c(cccc1Br)F)c2ccccc2 62a_100011219512_100000185958 [0,2,0,0,0,0|2,0,0]=4 10563 B19R2.7678 OC(CSc1c(cccc1Cl)Cl)c2ccccc2 62a_100000034237_100000185958 [0,2,0,0,0,0|2,0,0]=4 10564 B19R2.7678 OC(CSc1c(cccc1Cl)Cl)c2ccccc2 62a_100000185958_100000034237 [0,2,0,0,0,0|2,0,0]=4 10565 B19R2.7678 OC(CSc1c(cccc1Cl)F)c2ccccc2 62a_100000050007_100000185958 [0,2,0,0,0,0|2,0,0]=4 10566 B19R2.7678 OC(CSc1c(cccc1Cl)F)c2ccccc2 62a_100000185958_100000050007 [0,2,0,0,0,0|2,0,0]=4 10567 B19R2.7678 OC(CSc1c(cccc1F)F)c2ccccc2 62a_100000185958_100000693133 [0,2,0,0,0,0|2,0,0]=4 10568 B19R2.7678 OC(CSc1c(cccc1F)F)c2ccccc2 62a_100000693133_100000185958 [0,2,0,0,0,0|2,0,0]=4 10569 B19R2.7678 O[C@H](CNc1c(cccc1Br)Br)c2ccccc2 34a_100000690995_100011933945 [0,2,0,0,0,0|1,0,0]=3 10570 B19R2.7678 O[C@H](CNc1c(cccc1Br)Cl)c2ccccc2 34a_100102946385_100011933945 [0,2,0,0,0,0|1,0,0]=3 10571 B19R2.7678 O[C@H](CNc1c(cccc1Br)F)c2ccccc2 34a_100000684712_100011933945 [0,2,0,0,0,0|1,0,0]=3 10572 B19R2.7678 O[C@H](CNc1c(cccc1Cl)Cl)c2ccccc2 34a_100000210028_100011933945 [0,2,0,0,0,0|1,0,0]=3 10573 B19R2.7678 O[C@H](CNc1c(cccc1Cl)F)c2ccccc2 34a_100000760031_100011933945 [0,2,0,0,0,0|1,0,0]=3 10574 B19R2.7678 O[C@H](CNc1c(cccc1F)F)c2ccccc2 2230a_100000210704_100011933945 [0,2,0,0,0,0|1,0,0]=3 10575 B19R2.7678 O[C@H](CNc1c(cccc1F)F)c2ccccc2 34a_100000210704_100011933945 [0,2,0,0,0,0|1,0,0]=3 10576 B19R2.7678 O[C@H](CNc1c(cccc1I)F)c2ccccc2 34a_100000042321_100011933945 [0,2,0,0,0,0|1,0,0]=3 10577 B19R2.7678 O[C@H](COc1c(cccc1Br)Br)c2ccccc2 34a_100000736428_100011933945 [0,2,0,0,0,0|2,0,0]=4 10578 B19R2.7678 O[C@H](COc1c(cccc1Br)Br)c2ccccc2 7a_100000736428_100011933945 [0,2,0,0,0,0|2,0,0]=4 10579 B19R2.7678 O[C@H](COc1c(cccc1Br)Cl)c2ccccc2 34a_100010214474_100011933945 [0,2,0,0,0,0|2,0,0]=4 10580 B19R2.7678 O[C@H](COc1c(cccc1Br)Cl)c2ccccc2 7a_100010214474_100011933945 [0,2,0,0,0,0|2,0,0]=4 10581 B19R2.7678 O[C@H](COc1c(cccc1Br)F)c2ccccc2 34a_100009813666_100011933945 [0,2,0,0,0,0|2,0,0]=4 10582 B19R2.7678 O[C@H](COc1c(cccc1Br)F)c2ccccc2 7a_100009813666_100011933945 [0,2,0,0,0,0|2,0,0]=4 10583 B19R2.7678 O[C@H](COc1c(cccc1Cl)Cl)c2ccccc2 34a_100000211709_100011933945 [0,2,0,0,0,0|2,0,0]=4 10584 B19R2.7678 O[C@H](COc1c(cccc1Cl)Cl)c2ccccc2 7a_100000211709_100011933945 [0,2,0,0,0,0|2,0,0]=4 10585 B19R2.7678 O[C@H](COc1c(cccc1Cl)F)c2ccccc2 34a_100000694953_100011933945 [0,2,0,0,0,0|2,0,0]=4 10586 B19R2.7678 O[C@H](COc1c(cccc1Cl)F)c2ccccc2 7a_100000694953_100011933945 [0,2,0,0,0,0|2,0,0]=4 10587 B19R2.7678 O[C@H](COc1c(cccc1F)F)c2ccccc2 34a_100000230165_100011933945 [0,2,0,0,0,0|2,0,0]=4 10588 B19R2.7678 O[C@H](COc1c(cccc1F)F)c2ccccc2 7a_100000230165_100011933945 [0,2,0,0,0,0|2,0,0]=4 10589 B19R2.7678 O[C@H](COc1c(cccc1I)Br)c2ccccc2 34a_100010084509_100011933945 [0,2,0,0,0,0|2,0,0]=4 10590 B19R2.7678 O[C@H](COc1c(cccc1I)Br)c2ccccc2 7a_100010084509_100011933945 [0,2,0,0,0,0|2,0,0]=4 10591 B19R2.7678 O[C@H](COc1c(cccc1I)Cl)c2ccccc2 34a_100010202889_100011933945 [0,2,0,0,0,0|2,0,0]=4 10592 B19R2.7678 O[C@H](COc1c(cccc1I)Cl)c2ccccc2 7a_100010202889_100011933945 [0,2,0,0,0,0|2,0,0]=4 10593 B19R2.7678 O[C@H](COc1c(cccc1I)F)c2ccccc2 34a_100010186298_100011933945 [0,2,0,0,0,0|2,0,0]=4 10594 B19R2.7678 O[C@H](COc1c(cccc1I)F)c2ccccc2 7a_100010186298_100011933945 [0,2,0,0,0,0|2,0,0]=4 10595 B19R2.7678 O[C@H](CSc1c(cccc1Br)Cl)c2ccccc2 62a_100010214488_100011933945 [0,2,0,0,0,0|2,0,0]=4 10596 B19R2.7678 O[C@H](CSc1c(cccc1Br)Cl)c2ccccc2 62a_100011933945_100010214488 [0,2,0,0,0,0|2,0,0]=4 10597 B19R2.7678 O[C@H](CSc1c(cccc1Br)F)c2ccccc2 62a_100011219512_100011933945 [0,2,0,0,0,0|2,0,0]=4 10598 B19R2.7678 O[C@H](CSc1c(cccc1Br)F)c2ccccc2 62a_100011933945_100011219512 [0,2,0,0,0,0|2,0,0]=4 10599 B19R2.7678 O[C@H](CSc1c(cccc1Cl)Cl)c2ccccc2 62a_100000034237_100011933945 [0,2,0,0,0,0|2,0,0]=4 10600 B19R2.7678 O[C@H](CSc1c(cccc1Cl)Cl)c2ccccc2 62a_100011933945_100000034237 [0,2,0,0,0,0|2,0,0]=4 10601 B19R2.7678 O[C@H](CSc1c(cccc1Cl)F)c2ccccc2 62a_100000050007_100011933945 [0,2,0,0,0,0|2,0,0]=4 10602 B19R2.7678 O[C@H](CSc1c(cccc1Cl)F)c2ccccc2 62a_100011933945_100000050007 [0,2,0,0,0,0|2,0,0]=4 10603 B19R2.7678 O[C@H](CSc1c(cccc1F)F)c2ccccc2 62a_100000693133_100011933945 [0,2,0,0,0,0|2,0,0]=4 10604 B19R2.7678 O[C@H](CSc1c(cccc1F)F)c2ccccc2 62a_100011933945_100000693133 [0,2,0,0,0,0|2,0,0]=4 10605 B19R2.7678 Oc1cccc(c1NCC(O)c2ccccc2)Br 34a_100011934926_100000185958 [0,2,0,0,0,0|1,0,0]=3 10606 B19R2.7678 Oc1cccc(c1NCC(O)c2ccccc2)Cl 34a_100012022510_100000185958 [0,2,0,0,0,0|1,0,0]=3 10607 B19R2.7678 Oc1cccc(c1NCC(O)c2ccccc2)F 34a_100020591140_100000185958 [0,2,0,0,0,0|1,0,0]=3 10608 B19R2.7678 Oc1cccc(c1NC[C@@H](O)c2ccccc2)Br 34a_100011934926_100011933945 [0,2,0,0,0,0|1,0,0]=3 10609 B19R2.7678 Oc1cccc(c1NC[C@@H](O)c2ccccc2)Cl 34a_100012022510_100011933945 [0,2,0,0,0,0|1,0,0]=3 10610 B19R2.7678 Oc1cccc(c1NC[C@@H](O)c2ccccc2)F 34a_100020591140_100011933945 [0,2,0,0,0,0|1,0,0]=3 10611 B19R2.7678 Oc1cccc(c1SCC(O)c2ccccc2)Br 62a_100000185958_100010187912 [0,2,0,0,0,0|2,0,0]=4 10612 B19R2.7678 Oc1cccc(c1SCC(O)c2ccccc2)Br 62a_100010187912_100000185958 [0,2,0,0,0,0|2,0,0]=4 10613 B19R2.7678 Oc1cccc(c1SCC(O)c2ccccc2)Cl 62a_100000185958_100000050174 [0,2,0,0,0,0|2,0,0]=4 10614 B19R2.7678 Oc1cccc(c1SCC(O)c2ccccc2)F 62a_100000185958_100009820682 [0,2,0,0,0,0|2,0,0]=4 10615 B19R2.7678 Oc1cccc(c1SCC(O)c2ccccc2)F 62a_100009820682_100000185958 [0,2,0,0,0,0|2,0,0]=4 10616 B19R2.7678 Oc1cccc(c1SCC(O)c2ccccc2)O 62a_100000185958_100010205330 [0,2,0,0,0,0|2,0,0]=4 10617 B19R2.7678 Oc1cccc(c1SC[C@@H](O)c2ccccc2)Br 62a_100010187912_100011933945 [0,2,0,0,0,0|2,0,0]=4 10618 B19R2.7678 Oc1cccc(c1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010187912 [0,2,0,0,0,0|2,0,0]=4 10619 B19R2.7678 Oc1cccc(c1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000050174 [0,2,0,0,0,0|2,0,0]=4 10620 B19R2.7678 Oc1cccc(c1SC[C@@H](O)c2ccccc2)F 62a_100009820682_100011933945 [0,2,0,0,0,0|2,0,0]=4 10621 B19R2.7678 Oc1cccc(c1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009820682 [0,2,0,0,0,0|2,0,0]=4 10622 B19R2.7678 Oc1cccc(c1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100010205330 [0,2,0,0,0,0|2,0,0]=4 10623 B19R2.7730 CC(CNc1cc(ccc1Br)F)c2ccccc2 34a_100000687223_100000756946 [0,2,0,0,0,0|2,0,0]=4 10624 B19R2.7730 CC(CNc1cc(ccc1Br)O)c2ccccc2 34a_100011999798_100000756946 [0,2,0,0,0,0|2,0,0]=4 10625 B19R2.7730 CC(CNc1cc(ccc1Cl)F)c2ccccc2 34a_100000751338_100000756946 [0,2,0,0,0,0|2,0,0]=4 10626 B19R2.7730 CC(CNc1cc(ccc1Cl)O)c2ccccc2 34a_100011934297_100000756946 [0,2,0,0,0,0|2,0,0]=4 10627 B19R2.7730 CC(CNc1cc(ccc1F)Br)c2ccccc2 34a_100000740924_100000756946 [0,2,0,0,0,0|2,0,0]=4 10628 B19R2.7730 CC(CNc1cc(ccc1F)Cl)c2ccccc2 34a_100000212115_100000756946 [0,2,0,0,0,0|2,0,0]=4 10629 B19R2.7730 CC(CNc1cc(ccc1F)F)c2ccccc2 34a_100000210742_100000756946 [0,2,0,0,0,0|2,0,0]=4 10630 B19R2.7730 CC(CNc1cc(ccc1F)I)c2ccccc2 34a_100011464823_100000756946 [0,2,0,0,0,0|2,0,0]=4 10631 B19R2.7730 CC(CNc1cc(ccc1F)O)c2ccccc2 34a_100012017239_100000756946 [0,2,0,0,0,0|2,0,0]=4 10632 B19R2.7730 CC(CNc1cc(ccc1I)F)c2ccccc2 34a_100011218093_100000756946 [0,2,0,0,0,0|2,0,0]=4 10633 B19R2.7730 CC(CNc1cc(ccc1O)Br)c2ccccc2 34a_100000752626_100000756946 [0,2,0,0,0,0|2,0,0]=4 10634 B19R2.7730 CC(CNc1cc(ccc1O)Cl)c2ccccc2 34a_100000210500_100000756946 [0,2,0,0,0,0|2,0,0]=4 10635 B19R2.7730 CC(CNc1cc(ccc1O)F)c2ccccc2 34a_100000759472_100000756946 [0,2,0,0,0,0|2,0,0]=4 10636 B19R2.7730 CC(CNc1nc(ccc1F)F)c2ccccc2 27a_100000701038_100010997973 [0,2,0,0,0,0|1,0,0]=3 10637 B19R2.7730 CC(CNc1nc(ccc1N)F)c2ccccc2 27a_100000701038_100009879877 [0,2,0,0,0,0|1,0,0]=3 10638 B19R2.7730 CC(CNc1nc(ncc1F)N)c2ccccc2 27a_100000701038_200000093006 [0,2,0,0,0,0|2,0,0]=4 10639 B19R2.7730 CC(COc1nc(ccc1F)Cl)c2ccccc2 34a_100010729010_100000756946 [0,2,0,0,0,0|2,0,0]=4 10640 B19R2.7730 CC(CSc1nc(ccc1Br)N)c2ccccc2 62a_100000756946_100010192275 [0,2,0,0,0,0|2,0,0]=4 10641 B19R2.7730 CC(CSc1nc(ccc1Br)N)c2ccccc2 62a_100010192275_100000756946 [0,2,0,0,0,0|2,0,0]=4 10642 B19R2.7730 CC(CSc1nc(ccc1F)Cl)c2ccccc2 62a_100000756946_100010136221 [0,2,0,0,0,0|2,0,0]=4 10643 B19R2.7730 CC(CSc1nc(ccc1F)Cl)c2ccccc2 62a_100010136221_100000756946 [0,2,0,0,0,0|2,0,0]=4 10644 B19R2.7730 CC(CSc1nc(ccc1F)F)c2ccccc2 62a_100000756946_100010997973 [0,2,0,0,0,0|2,0,0]=4 10645 B19R2.7730 CC(CSc1nc(ccc1F)F)c2ccccc2 62a_100010997973_100000756946 [0,2,0,0,0,0|2,0,0]=4 10646 B19R2.7730 CC(CSc1nc(ccc1F)N)c2ccccc2 62a_100000756946_100010892222 [0,2,0,0,0,0|2,0,0]=4 10647 B19R2.7730 CC(CSc1nc(ccc1F)N)c2ccccc2 62a_100010892222_100000756946 [0,2,0,0,0,0|2,0,0]=4 10648 B19R2.7730 CC(CSc1nc(ccc1N)Br)c2ccccc2 62a_100000756946_100010168765 [0,2,0,0,0,0|2,0,0]=4 10649 B19R2.7730 CC(CSc1nc(ccc1N)Br)c2ccccc2 62a_100010168765_100000756946 [0,2,0,0,0,0|2,0,0]=4 10650 B19R2.7730 CC(CSc1nc(ccc1N)Cl)c2ccccc2 62a_100000756946_100010233647 [0,2,0,0,0,0|2,0,0]=4 10651 B19R2.7730 CC(CSc1nc(ccc1N)Cl)c2ccccc2 62a_100010233647_100000756946 [0,2,0,0,0,0|2,0,0]=4 10652 B19R2.7730 CC(CSc1nc(ccc1N)F)c2ccccc2 62a_100000756946_100009879877 [0,2,0,0,0,0|2,0,0]=4 10653 B19R2.7730 CC(CSc1nc(ccc1N)F)c2ccccc2 62a_100009879877_100000756946 [0,2,0,0,0,0|2,0,0]=4 10654 B19R2.7730 CC(CSc1nc(ccc1N)N)c2ccccc2 62a_100000756946_200009884323 [0,2,0,0,0,0|2,0,0]=4 10655 B19R2.7730 CC(CSc1nc(ccc1N)N)c2ccccc2 62a_200009884323_100000756946 [0,2,0,0,0,0|2,0,0]=4 10656 B19R2.7730 CC(CSc1nc(ccc1O)Br)c2ccccc2 62a_100000756946_100010253912 [0,2,0,0,0,0|2,0,0]=4 10657 B19R2.7730 CC(CSc1nc(ccc1O)Br)c2ccccc2 62a_100010253912_100000756946 [0,2,0,0,0,0|2,0,0]=4 10658 B19R2.7730 CC(CSc1nc(ccc1O)Cl)c2ccccc2 62a_100000756946_100000696390 [0,2,0,0,0,0|2,0,0]=4 10659 B19R2.7730 CC(CSc1nc(ccc1O)F)c2ccccc2 62a_100000756946_100010382442 [0,2,0,0,0,0|2,0,0]=4 10660 B19R2.7730 CC(CSc1nc(ccc1O)F)c2ccccc2 62a_100010382442_100000756946 [0,2,0,0,0,0|2,0,0]=4 10661 B19R2.7730 Cc1c[nH]c(=O)c(n1)SCC(O)c2ccccc2 62a_100000185958_100009858157 [0,2,0,0,0,0|2,0,0]=4 10662 B19R2.7730 Cc1c[nH]c(=O)c(n1)SCC(O)c2ccccc2 62a_100009858157_100000185958 [0,2,0,0,0,0|2,0,0]=4 10663 B19R2.7730 Cc1c[nH]c(=O)c(n1)SC[C@@H](O)c2ccccc2 62a_100009858157_100011933945 [0,2,0,0,0,0|2,0,0]=4 10664 B19R2.7730 Cc1c[nH]c(=O)c(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009858157 [0,2,0,0,0,0|2,0,0]=4 10665 B19R2.7730 Cc1cc(c(cn1)F)NCC(O)c2ccccc2 27a_100000210709_100009867690 [0,2,0,0,0,0|2,0,0]=4 10666 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)Br 34a_100000745044_100000756946 [0,2,0,0,0,0|2,0,0]=4 10667 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)C 2230a_100000185781_100000756946 [0,2,0,0,0,0|2,0,0]=4 10668 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)C 34a_100000185781_100000756946 [0,2,0,0,0,0|2,0,0]=4 10669 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)C 7a_100000185781_100000756946 [0,2,0,0,0,0|2,0,0]=4 10670 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)Cl 34a_100011215360_100000756946 [0,2,0,0,0,0|2,0,0]=4 10671 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)F 34a_100000211285_100000756946 [0,2,0,0,0,0|2,0,0]=4 10672 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)I 34a_100011216686_100000756946 [0,2,0,0,0,0|2,0,0]=4 10673 B19R2.7730 Cc1ccc(c(c1)NCC(C)c2ccccc2)O 34a_100011215204_100000756946 [0,2,0,0,0,0|2,0,0]=4 10674 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)Br 34a_100000745044_100000185958 [0,2,0,0,0,0|1,0,0]=3 10675 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)C 2230a_100000185781_100000185958 [0,2,0,0,0,0|1,0,0]=3 10676 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)C 34a_100000185781_100000185958 [0,2,0,0,0,0|1,0,0]=3 10677 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)C 7a_100000185781_100000185958 [0,2,0,0,0,0|1,0,0]=3 10678 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)Cl 34a_100011215360_100000185958 [0,2,0,0,0,0|1,0,0]=3 10679 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)F 34a_100000211285_100000185958 [0,2,0,0,0,0|1,0,0]=3 10680 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)I 34a_100011216686_100000185958 [0,2,0,0,0,0|1,0,0]=3 10681 B19R2.7730 Cc1ccc(c(c1)NCC(O)c2ccccc2)O 34a_100011215204_100000185958 [0,2,0,0,0,0|1,0,0]=3 10682 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)Br 34a_100000745044_100011933945 [0,2,0,0,0,0|1,0,0]=3 10683 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)C 2230a_100000185781_100011933945 [0,2,0,0,0,0|1,0,0]=3 10684 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)C 34a_100000185781_100011933945 [0,2,0,0,0,0|1,0,0]=3 10685 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)C 7a_100000185781_100011933945 [0,2,0,0,0,0|1,0,0]=3 10686 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)Cl 34a_100011215360_100011933945 [0,2,0,0,0,0|1,0,0]=3 10687 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)F 34a_100000211285_100011933945 [0,2,0,0,0,0|1,0,0]=3 10688 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)I 34a_100011216686_100011933945 [0,2,0,0,0,0|1,0,0]=3 10689 B19R2.7730 Cc1ccc(c(c1)NC[C@@H](O)c2ccccc2)O 34a_100011215204_100011933945 [0,2,0,0,0,0|1,0,0]=3 10690 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)Br 34a_100012002257_100000185958 [0,2,0,0,0,0|2,0,0]=4 10691 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)Br 7a_100012002257_100000185958 [0,2,0,0,0,0|2,0,0]=4 10692 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)C 34a_100000210931_100000185958 [0,2,0,0,0,0|2,0,0]=4 10693 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)C 7a_100000210931_100000185958 [0,2,0,0,0,0|2,0,0]=4 10694 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)Cl 34a_100000211493_100000185958 [0,2,0,0,0,0|2,0,0]=4 10695 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)Cl 7a_100000211493_100000185958 [0,2,0,0,0,0|2,0,0]=4 10696 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)F 34a_100000759540_100000185958 [0,2,0,0,0,0|2,0,0]=4 10697 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)F 7a_100000759540_100000185958 [0,2,0,0,0,0|2,0,0]=4 10698 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)N 34a_100000211527_100000185958 [0,2,0,0,0,0|2,0,0]=4 10699 B19R2.7730 Cc1ccc(c(c1)OCC(O)c2ccccc2)N 7a_100000211527_100000185958 [0,2,0,0,0,0|2,0,0]=4 10700 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)Br 34a_100012002257_100011933945 [0,2,0,0,0,0|2,0,0]=4 10701 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)Br 7a_100012002257_100011933945 [0,2,0,0,0,0|2,0,0]=4 10702 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)C 34a_100000210931_100011933945 [0,2,0,0,0,0|2,0,0]=4 10703 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)C 7a_100000210931_100011933945 [0,2,0,0,0,0|2,0,0]=4 10704 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)Cl 34a_100000211493_100011933945 [0,2,0,0,0,0|2,0,0]=4 10705 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)Cl 7a_100000211493_100011933945 [0,2,0,0,0,0|2,0,0]=4 10706 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)F 34a_100000759540_100011933945 [0,2,0,0,0,0|2,0,0]=4 10707 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)F 7a_100000759540_100011933945 [0,2,0,0,0,0|2,0,0]=4 10708 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)N 34a_100000211527_100011933945 [0,2,0,0,0,0|2,0,0]=4 10709 B19R2.7730 Cc1ccc(c(c1)OC[C@@H](O)c2ccccc2)N 7a_100000211527_100011933945 [0,2,0,0,0,0|2,0,0]=4 10710 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)Br 62a_100000185958_100012353751 [0,2,0,0,0,0|2,0,0]=4 10711 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)Br 62a_100012353751_100000185958 [0,2,0,0,0,0|2,0,0]=4 10712 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)C 62a_100000185958_100000210833 [0,2,0,0,0,0|2,0,0]=4 10713 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)C 62a_100000210833_100000185958 [0,2,0,0,0,0|2,0,0]=4 10714 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)Cl 62a_100000185958_100012356289 [0,2,0,0,0,0|2,0,0]=4 10715 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)Cl 62a_100012356289_100000185958 [0,2,0,0,0,0|2,0,0]=4 10716 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)F 62a_100000185958_100000736223 [0,2,0,0,0,0|2,0,0]=4 10717 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)F 62a_100000736223_100000185958 [0,2,0,0,0,0|2,0,0]=4 10718 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)N 62a_100000185958_100011356834 [0,2,0,0,0,0|2,0,0]=4 10719 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)N 62a_100011356834_100000185958 [0,2,0,0,0,0|2,0,0]=4 10720 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)O 62a_100000185958_100000765521 [0,2,0,0,0,0|2,0,0]=4 10721 B19R2.7730 Cc1ccc(c(c1)SCC(O)c2ccccc2)O 62a_100000765521_100000185958 [0,2,0,0,0,0|2,0,0]=4 10722 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100012353751 [0,2,0,0,0,0|2,0,0]=4 10723 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Br 62a_100012353751_100011933945 [0,2,0,0,0,0|2,0,0]=4 10724 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)C 62a_100000210833_100011933945 [0,2,0,0,0,0|2,0,0]=4 10725 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100000210833 [0,2,0,0,0,0|2,0,0]=4 10726 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100012356289 [0,2,0,0,0,0|2,0,0]=4 10727 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100012356289_100011933945 [0,2,0,0,0,0|2,0,0]=4 10728 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)F 62a_100000736223_100011933945 [0,2,0,0,0,0|2,0,0]=4 10729 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000736223 [0,2,0,0,0,0|2,0,0]=4 10730 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)N 62a_100011356834_100011933945 [0,2,0,0,0,0|2,0,0]=4 10731 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100011356834 [0,2,0,0,0,0|2,0,0]=4 10732 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)O 62a_100000765521_100011933945 [0,2,0,0,0,0|2,0,0]=4 10733 B19R2.7730 Cc1ccc(c(c1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_100000765521 [0,2,0,0,0,0|2,0,0]=4 10734 B19R2.7730 Cc1ccc(c(n1)OCC(C)c2ccccc2)Br 34a_100009817604_100000756946 [0,2,0,0,0,0|2,0,0]=4 10735 B19R2.7730 Cc1ccc(c(n1)OCC(C)c2ccccc2)N 34a_100000687486_100000756946 [0,2,0,0,0,0|2,0,0]=4 10736 B19R2.7730 Cc1ccc(c(n1)OCC(O)c2ccccc2)Br 34a_100009817604_100000185958 [0,2,0,0,0,0|1,0,0]=3 10737 B19R2.7730 Cc1ccc(c(n1)OCC(O)c2ccccc2)N 34a_100000687486_100000185958 [0,2,0,0,0,0|1,0,0]=3 10738 B19R2.7730 Cc1ccc(c(n1)OC[C@@H](O)c2ccccc2)Br 34a_100009817604_100011933945 [0,2,0,0,0,0|1,0,0]=3 10739 B19R2.7730 Cc1ccc(c(n1)OC[C@@H](O)c2ccccc2)N 34a_100000687486_100011933945 [0,2,0,0,0,0|1,0,0]=3 10740 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)C 62a_100000756946_100009854376 [0,2,0,0,0,0|2,0,0]=4 10741 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)C 62a_100009854376_100000756946 [0,2,0,0,0,0|2,0,0]=4 10742 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)F 62a_100000756946_100009817602 [0,2,0,0,0,0|2,0,0]=4 10743 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)F 62a_100009817602_100000756946 [0,2,0,0,0,0|2,0,0]=4 10744 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)N 62a_100000685570_100000756946 [0,2,0,0,0,0|2,0,0]=4 10745 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)N 62a_100000756946_100000685570 [0,2,0,0,0,0|2,0,0]=4 10746 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)O 62a_100000702858_100000756946 [0,2,0,0,0,0|2,0,0]=4 10747 B19R2.7730 Cc1ccc(c(n1)SCC(C)c2ccccc2)O 62a_100000756946_100000702858 [0,2,0,0,0,0|2,0,0]=4 10748 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)C 62a_100000185958_100009854376 [0,2,0,0,0,0|1,0,0]=3 10749 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)C 62a_100009854376_100000185958 [0,2,0,0,0,0|1,0,0]=3 10750 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)F 62a_100000185958_100009817602 [0,2,0,0,0,0|1,0,0]=3 10751 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)F 62a_100009817602_100000185958 [0,2,0,0,0,0|1,0,0]=3 10752 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)N 62a_100000185958_100000685570 [0,2,0,0,0,0|1,0,0]=3 10753 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)N 62a_100000685570_100000185958 [0,2,0,0,0,0|1,0,0]=3 10754 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)O 62a_100000185958_100000702858 [0,2,0,0,0,0|1,0,0]=3 10755 B19R2.7730 Cc1ccc(c(n1)SCC(O)c2ccccc2)O 62a_100000702858_100000185958 [0,2,0,0,0,0|1,0,0]=3 10756 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)C 62a_100009854376_100011933945 [0,2,0,0,0,0|1,0,0]=3 10757 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100009854376 [0,2,0,0,0,0|1,0,0]=3 10758 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100009817602_100011933945 [0,2,0,0,0,0|1,0,0]=3 10759 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009817602 [0,2,0,0,0,0|1,0,0]=3 10760 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100000685570_100011933945 [0,2,0,0,0,0|1,0,0]=3 10761 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000685570 [0,2,0,0,0,0|1,0,0]=3 10762 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)O 62a_100000702858_100011933945 [0,2,0,0,0,0|1,0,0]=3 10763 B19R2.7730 Cc1ccc(c(n1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_100000702858 [0,2,0,0,0,0|1,0,0]=3 10764 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)Br 34a_100000741167_100000756946 [0,2,0,0,0,0|2,0,0]=4 10765 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)Br 7a_100000741167_100000756946 [0,2,0,0,0,0|2,0,0]=4 10766 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)Cl 34a_100000211374_100000756946 [0,2,0,0,0,0|2,0,0]=4 10767 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)Cl 7a_100000211374_100000756946 [0,2,0,0,0,0|2,0,0]=4 10768 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)F 34a_100000211107_100000756946 [0,2,0,0,0,0|2,0,0]=4 10769 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)F 7a_100000211107_100000756946 [0,2,0,0,0,0|2,0,0]=4 10770 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)I 7a_100000761890_100000756946 [0,2,0,0,0,0|2,0,0]=4 10771 B19R2.7730 Cc1ccc(cc1NCC(C)c2ccccc2)O 34a_100011216113_100000756946 [0,2,0,0,0,0|2,0,0]=4 10772 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)Br 34a_100000741167_100000185958 [0,2,0,0,0,0|1,0,0]=3 10773 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)Br 7a_100000741167_100000185958 [0,2,0,0,0,0|1,0,0]=3 10774 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)Cl 34a_100000211374_100000185958 [0,2,0,0,0,0|1,0,0]=3 10775 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)Cl 7a_100000211374_100000185958 [0,2,0,0,0,0|1,0,0]=3 10776 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)F 34a_100000211107_100000185958 [0,2,0,0,0,0|1,0,0]=3 10777 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)F 7a_100000211107_100000185958 [0,2,0,0,0,0|1,0,0]=3 10778 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)I 7a_100000761890_100000185958 [0,2,0,0,0,0|1,0,0]=3 10779 B19R2.7730 Cc1ccc(cc1NCC(O)c2ccccc2)O 34a_100011216113_100000185958 [0,2,0,0,0,0|1,0,0]=3 10780 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)Br 34a_100000741167_100011933945 [0,2,0,0,0,0|1,0,0]=3 10781 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)Br 7a_100000741167_100011933945 [0,2,0,0,0,0|1,0,0]=3 10782 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)Cl 34a_100000211374_100011933945 [0,2,0,0,0,0|1,0,0]=3 10783 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)Cl 7a_100000211374_100011933945 [0,2,0,0,0,0|1,0,0]=3 10784 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)F 34a_100000211107_100011933945 [0,2,0,0,0,0|1,0,0]=3 10785 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)F 7a_100000211107_100011933945 [0,2,0,0,0,0|1,0,0]=3 10786 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)I 7a_100000761890_100011933945 [0,2,0,0,0,0|1,0,0]=3 10787 B19R2.7730 Cc1ccc(cc1NC[C@@H](O)c2ccccc2)O 34a_100011216113_100011933945 [0,2,0,0,0,0|1,0,0]=3 10788 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)Br 34a_100000685420_100000185958 [0,2,0,0,0,0|2,0,0]=4 10789 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)Br 7a_100000685420_100000185958 [0,2,0,0,0,0|2,0,0]=4 10790 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)Cl 34a_100000756515_100000185958 [0,2,0,0,0,0|2,0,0]=4 10791 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)Cl 7a_100000756515_100000185958 [0,2,0,0,0,0|2,0,0]=4 10792 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)F 34a_100000690566_100000185958 [0,2,0,0,0,0|2,0,0]=4 10793 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)F 7a_100000690566_100000185958 [0,2,0,0,0,0|2,0,0]=4 10794 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)I 7a_100000766334_100000185958 [0,2,0,0,0,0|2,0,0]=4 10795 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)N 34a_100000759471_100000185958 [0,2,0,0,0,0|2,0,0]=4 10796 B19R2.7730 Cc1ccc(cc1OCC(O)c2ccccc2)N 7a_100000759471_100000185958 [0,2,0,0,0,0|2,0,0]=4 10797 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)Br 34a_100000685420_100011933945 [0,2,0,0,0,0|2,0,0]=4 10798 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)Br 7a_100000685420_100011933945 [0,2,0,0,0,0|2,0,0]=4 10799 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)Cl 34a_100000756515_100011933945 [0,2,0,0,0,0|2,0,0]=4 10800 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)Cl 7a_100000756515_100011933945 [0,2,0,0,0,0|2,0,0]=4 10801 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)F 34a_100000690566_100011933945 [0,2,0,0,0,0|2,0,0]=4 10802 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)F 7a_100000690566_100011933945 [0,2,0,0,0,0|2,0,0]=4 10803 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)I 7a_100000766334_100011933945 [0,2,0,0,0,0|2,0,0]=4 10804 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)N 34a_100000759471_100011933945 [0,2,0,0,0,0|2,0,0]=4 10805 B19R2.7730 Cc1ccc(cc1OC[C@@H](O)c2ccccc2)N 7a_100000759471_100011933945 [0,2,0,0,0,0|2,0,0]=4 10806 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)Br 62a_100000185958_100011344865 [0,2,0,0,0,0|2,0,0]=4 10807 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)Br 62a_100011344865_100000185958 [0,2,0,0,0,0|2,0,0]=4 10808 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)Cl 62a_100000185958_100011263213 [0,2,0,0,0,0|2,0,0]=4 10809 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)Cl 62a_100011263213_100000185958 [0,2,0,0,0,0|2,0,0]=4 10810 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)F 62a_100000185958_100011218078 [0,2,0,0,0,0|2,0,0]=4 10811 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)F 62a_100011218078_100000185958 [0,2,0,0,0,0|2,0,0]=4 10812 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)N 62a_100000185958_100000736455 [0,2,0,0,0,0|2,0,0]=4 10813 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)N 62a_100000736455_100000185958 [0,2,0,0,0,0|2,0,0]=4 10814 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)O 62a_100000185958_100011380479 [0,2,0,0,0,0|2,0,0]=4 10815 B19R2.7730 Cc1ccc(cc1SCC(O)c2ccccc2)O 62a_100011380479_100000185958 [0,2,0,0,0,0|2,0,0]=4 10816 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)Br 62a_100011344865_100011933945 [0,2,0,0,0,0|2,0,0]=4 10817 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100011344865 [0,2,0,0,0,0|2,0,0]=4 10818 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)Cl 62a_100011263213_100011933945 [0,2,0,0,0,0|2,0,0]=4 10819 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100011263213 [0,2,0,0,0,0|2,0,0]=4 10820 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)F 62a_100011218078_100011933945 [0,2,0,0,0,0|2,0,0]=4 10821 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100011218078 [0,2,0,0,0,0|2,0,0]=4 10822 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)N 62a_100000736455_100011933945 [0,2,0,0,0,0|2,0,0]=4 10823 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000736455 [0,2,0,0,0,0|2,0,0]=4 10824 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)O 62a_100011380479_100011933945 [0,2,0,0,0,0|2,0,0]=4 10825 B19R2.7730 Cc1ccc(cc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011380479 [0,2,0,0,0,0|2,0,0]=4 10826 B19R2.7730 Cc1ccc(nc1SCC(C)c2ccccc2)N 62a_100000126722_100000756946 [0,2,0,0,0,0|2,0,0]=4 10827 B19R2.7730 Cc1ccc(nc1SCC(C)c2ccccc2)N 62a_100000756946_100000126722 [0,2,0,0,0,0|2,0,0]=4 10828 B19R2.7730 Cc1ccc(nc1SCC(O)c2ccccc2)N 62a_100000126722_100000185958 [0,2,0,0,0,0|1,0,0]=3 10829 B19R2.7730 Cc1ccc(nc1SCC(O)c2ccccc2)N 62a_100000185958_100000126722 [0,2,0,0,0,0|1,0,0]=3 10830 B19R2.7730 Cc1ccc(nc1SC[C@@H](O)c2ccccc2)N 62a_100000126722_100011933945 [0,2,0,0,0,0|1,0,0]=3 10831 B19R2.7730 Cc1ccc(nc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000126722 [0,2,0,0,0,0|1,0,0]=3 10832 B19R2.7730 Cc1cnc(c(c1)NCC(O)c2ccccc2)F 27a_100000210709_100009820679 [0,2,0,0,0,0|2,0,0]=4 10833 B19R2.7730 Cc1cnc(c(n1)NCC(C)c2ccccc2)C 27a_100000701038_100000211308 [0,2,0,0,0,0|2,0,0]=4 10834 B19R2.7730 Cc1cnc(c(n1)NCC(O)c2ccccc2)C 27a_100000210709_100000211308 [0,2,0,0,0,0|1,0,0]=3 10835 B19R2.7730 Cc1cnc(c(n1)NCC(O)c2ccccn2)C 27a_100000691469_100000211308 [0,2,0,0,0,0|2,0,0]=4 10836 B19R2.7730 Cc1cnc(c(n1)NCC(O)c2cccnc2)C 27a_100020605170_100000211308 [0,2,0,0,0,0|2,0,0]=4 10837 B19R2.7730 Cc1cnc(c(n1)SCC(O)c2ccccc2)C 62a_100000185958_100000211308 [0,2,0,0,0,0|2,0,0]=4 10838 B19R2.7730 Cc1cnc(c(n1)SCC(O)c2ccccc2)C 62a_100000211308_100000185958 [0,2,0,0,0,0|2,0,0]=4 10839 B19R2.7730 Cc1cnc(c(n1)SCC(O)c2ccccc2)N 62a_100000185958_100009819049 [0,2,0,0,0,0|2,0,0]=4 10840 B19R2.7730 Cc1cnc(c(n1)SCC(O)c2ccccc2)N 62a_100009819049_100000185958 [0,2,0,0,0,0|2,0,0]=4 10841 B19R2.7730 Cc1cnc(c(n1)SC[C@@H](O)c2ccccc2)C 62a_100000211308_100011933945 [0,2,0,0,0,0|2,0,0]=4 10842 B19R2.7730 Cc1cnc(c(n1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100000211308 [0,2,0,0,0,0|2,0,0]=4 10843 B19R2.7730 Cc1cnc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100009819049_100011933945 [0,2,0,0,0,0|2,0,0]=4 10844 B19R2.7730 Cc1cnc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100009819049 [0,2,0,0,0,0|2,0,0]=4 10845 B19R2.7730 Cc1cnc(cc1NCC(O)c2ccccc2)F 27a_100000210709_100000049870 [0,2,0,0,0,0|2,0,0]=4 10846 B19R2.7730 Cc1cnc(nc1NCC(C)c2ccccc2)N 27a_100000701038_100000016107 [0,2,0,0,0,0|2,0,0]=4 10847 B19R2.7730 Cc1cnc(nc1NCC(O)c2ccccc2)N 27a_100000210709_100000016107 [0,2,0,0,0,0|1,0,0]=3 10848 B19R2.7730 Cc1cnc(nc1NCC(O)c2ccccn2)N 27a_100000691469_100000016107 [0,2,0,0,0,0|2,0,0]=4 10849 B19R2.7730 Cc1cnc(nc1NCC(O)c2cccnc2)N 27a_100020605170_100000016107 [0,2,0,0,0,0|2,0,0]=4 10850 B19R2.7730 Cc1cnc(nc1SCC(O)c2ccccc2)N 62a_100000016107_100000185958 [0,2,0,0,0,0|2,0,0]=4 10851 B19R2.7730 Cc1cnc(nc1SCC(O)c2ccccc2)N 62a_100000185958_100000016107 [0,2,0,0,0,0|2,0,0]=4 10852 B19R2.7730 Cc1cnc(nc1SC[C@@H](O)c2ccccc2)N 62a_100000016107_100011933945 [0,2,0,0,0,0|2,0,0]=4 10853 B19R2.7730 Cc1cnc(nc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000016107 [0,2,0,0,0,0|2,0,0]=4 10854 B19R2.7730 Cc1ncc(c(n1)NCC(C)c2ccccc2)F 27a_100000701038_100000059819 [0,2,0,0,0,0|2,0,0]=4 10855 B19R2.7730 Cc1ncc(c(n1)NCC(C)c2ccccc2)N 27a_100000701038_100009873743 [0,2,0,0,0,0|2,0,0]=4 10856 B19R2.7730 Cc1ncc(c(n1)NCC(O)c2ccccc2)F 27a_100000210709_100000059819 [0,2,0,0,0,0|1,0,0]=3 10857 B19R2.7730 Cc1ncc(c(n1)NCC(O)c2ccccc2)N 27a_100000210709_100009873743 [0,2,0,0,0,0|1,0,0]=3 10858 B19R2.7730 Cc1ncc(c(n1)NCC(O)c2ccccn2)F 27a_100000691469_100000059819 [0,2,0,0,0,0|2,0,0]=4 10859 B19R2.7730 Cc1ncc(c(n1)NCC(O)c2ccccn2)N 27a_100000691469_100009873743 [0,2,0,0,0,0|2,0,0]=4 10860 B19R2.7730 Cc1ncc(c(n1)NCC(O)c2cccnc2)F 27a_100020605170_100000059819 [0,2,0,0,0,0|2,0,0]=4 10861 B19R2.7730 Cc1ncc(c(n1)NCC(O)c2cccnc2)N 27a_100020605170_100009873743 [0,2,0,0,0,0|2,0,0]=4 10862 B19R2.7730 Cc1ncc(c(n1)SCC(O)c2ccccc2)F 62a_100000059819_100000185958 [0,2,0,0,0,0|2,0,0]=4 10863 B19R2.7730 Cc1ncc(c(n1)SCC(O)c2ccccc2)F 62a_100000185958_100000059819 [0,2,0,0,0,0|2,0,0]=4 10864 B19R2.7730 Cc1ncc(c(n1)SCC(O)c2ccccc2)N 62a_100000185958_100009873743 [0,2,0,0,0,0|2,0,0]=4 10865 B19R2.7730 Cc1ncc(c(n1)SCC(O)c2ccccc2)N 62a_100009873743_100000185958 [0,2,0,0,0,0|2,0,0]=4 10866 B19R2.7730 Cc1ncc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100000059819_100011933945 [0,2,0,0,0,0|2,0,0]=4 10867 B19R2.7730 Cc1ncc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000059819 [0,2,0,0,0,0|2,0,0]=4 10868 B19R2.7730 Cc1ncc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100009873743_100011933945 [0,2,0,0,0,0|2,0,0]=4 10869 B19R2.7730 Cc1ncc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100009873743 [0,2,0,0,0,0|2,0,0]=4 10870 B19R2.7730 Cc1ncc(nc1SCC(O)c2ccccc2)N 62a_100000185958_100009877824 [0,2,0,0,0,0|2,0,0]=4 10871 B19R2.7730 Cc1ncc(nc1SCC(O)c2ccccc2)N 62a_100009877824_100000185958 [0,2,0,0,0,0|2,0,0]=4 10872 B19R2.7730 Cc1ncc(nc1SC[C@@H](O)c2ccccc2)N 62a_100009877824_100011933945 [0,2,0,0,0,0|2,0,0]=4 10873 B19R2.7730 Cc1ncc(nc1SC[C@@H](O)c2ccccc2)N 62a_100011933945_100009877824 [0,2,0,0,0,0|2,0,0]=4 10874 B19R2.7730 Nc1ccc(c(c1)OCC(O)c2ccccc2)Cl 34a_100011934209_100000185958 [0,2,0,0,0,0|2,0,0]=4 10875 B19R2.7730 Nc1ccc(c(c1)OCC(O)c2ccccc2)F 34a_100012017398_100000185958 [0,2,0,0,0,0|2,0,0]=4 10876 B19R2.7730 Nc1ccc(c(c1)OCC(O)c2ccccc2)F 7a_100012017398_100000185958 [0,2,0,0,0,0|2,0,0]=4 10877 B19R2.7730 Nc1ccc(c(c1)OCC(O)c2ccccc2)N 34a_100025717382_100000185958 [0,2,0,0,0,0|2,0,0]=4 10878 B19R2.7730 Nc1ccc(c(c1)OC[C@@H](O)c2ccccc2)Cl 34a_100011934209_100011933945 [0,2,0,0,0,0|2,0,0]=4 10879 B19R2.7730 Nc1ccc(c(c1)OC[C@@H](O)c2ccccc2)F 34a_100012017398_100011933945 [0,2,0,0,0,0|2,0,0]=4 10880 B19R2.7730 Nc1ccc(c(c1)OC[C@@H](O)c2ccccc2)F 7a_100012017398_100011933945 [0,2,0,0,0,0|2,0,0]=4 10881 B19R2.7730 Nc1ccc(c(c1)OC[C@@H](O)c2ccccc2)N 34a_100025717382_100011933945 [0,2,0,0,0,0|2,0,0]=4 10882 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)Br 62a_100000185958_100000750459 [0,2,0,0,0,0|2,0,0]=4 10883 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)Br 62a_100000750459_100000185958 [0,2,0,0,0,0|2,0,0]=4 10884 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)Cl 62a_100000185958_100012360549 [0,2,0,0,0,0|2,0,0]=4 10885 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)Cl 62a_100012360549_100000185958 [0,2,0,0,0,0|2,0,0]=4 10886 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)F 62a_100000185958_100000760356 [0,2,0,0,0,0|2,0,0]=4 10887 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)F 62a_100000760356_100000185958 [0,2,0,0,0,0|2,0,0]=4 10888 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)N 62a_100000185958_100011534242 [0,2,0,0,0,0|2,0,0]=4 10889 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)N 62a_100011534242_100000185958 [0,2,0,0,0,0|2,0,0]=4 10890 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)O 62a_100000185958_100011534360 [0,2,0,0,0,0|2,0,0]=4 10891 B19R2.7730 Nc1ccc(c(c1)SCC(O)c2ccccc2)O 62a_100011534360_100000185958 [0,2,0,0,0,0|2,0,0]=4 10892 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Br 62a_100000750459_100011933945 [0,2,0,0,0,0|2,0,0]=4 10893 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100000750459 [0,2,0,0,0,0|2,0,0]=4 10894 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100012360549 [0,2,0,0,0,0|2,0,0]=4 10895 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100012360549_100011933945 [0,2,0,0,0,0|2,0,0]=4 10896 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)F 62a_100000760356_100011933945 [0,2,0,0,0,0|2,0,0]=4 10897 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000760356 [0,2,0,0,0,0|2,0,0]=4 10898 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)N 62a_100011534242_100011933945 [0,2,0,0,0,0|2,0,0]=4 10899 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100011534242 [0,2,0,0,0,0|2,0,0]=4 10900 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)O 62a_100011534360_100011933945 [0,2,0,0,0,0|2,0,0]=4 10901 B19R2.7730 Nc1ccc(c(c1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011534360 [0,2,0,0,0,0|2,0,0]=4 10902 B19R2.7730 Nc1ccc(c(n1)SCC(O)c2ccccc2)Br 62a_100000185958_100010192275 [0,2,0,0,0,0|1,0,0]=3 10903 B19R2.7730 Nc1ccc(c(n1)SCC(O)c2ccccc2)Br 62a_100010192275_100000185958 [0,2,0,0,0,0|1,0,0]=3 10904 B19R2.7730 Nc1ccc(c(n1)SCC(O)c2ccccc2)F 62a_100000185958_100010892222 [0,2,0,0,0,0|1,0,0]=3 10905 B19R2.7730 Nc1ccc(c(n1)SCC(O)c2ccccc2)F 62a_100010892222_100000185958 [0,2,0,0,0,0|1,0,0]=3 10906 B19R2.7730 Nc1ccc(c(n1)SCC(O)c2ccccc2)N 62a_100000185958_200009884323 [0,2,0,0,0,0|1,0,0]=3 10907 B19R2.7730 Nc1ccc(c(n1)SCC(O)c2ccccc2)N 62a_200009884323_100000185958 [0,2,0,0,0,0|1,0,0]=3 10908 B19R2.7730 Nc1ccc(c(n1)SC[C@@H](O)c2ccccc2)Br 62a_100010192275_100011933945 [0,2,0,0,0,0|1,0,0]=3 10909 B19R2.7730 Nc1ccc(c(n1)SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010192275 [0,2,0,0,0,0|1,0,0]=3 10910 B19R2.7730 Nc1ccc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100010892222_100011933945 [0,2,0,0,0,0|1,0,0]=3 10911 B19R2.7730 Nc1ccc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100010892222 [0,2,0,0,0,0|1,0,0]=3 10912 B19R2.7730 Nc1ccc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_200009884323 [0,2,0,0,0,0|1,0,0]=3 10913 B19R2.7730 Nc1ccc(c(n1)SC[C@@H](O)c2ccccc2)N 62a_200009884323_100011933945 [0,2,0,0,0,0|1,0,0]=3 10914 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)Br 34a_100000739049_100000185958 [0,2,0,0,0,0|2,0,0]=4 10915 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)Br 7a_100000739049_100000185958 [0,2,0,0,0,0|2,0,0]=4 10916 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)Cl 34a_100000185728_100000185958 [0,2,0,0,0,0|2,0,0]=4 10917 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)Cl 7a_100000185728_100000185958 [0,2,0,0,0,0|2,0,0]=4 10918 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)F 34a_100000753323_100000185958 [0,2,0,0,0,0|2,0,0]=4 10919 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)F 7a_100000753323_100000185958 [0,2,0,0,0,0|2,0,0]=4 10920 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)I 34a_100000057187_100000185958 [0,2,0,0,0,0|2,0,0]=4 10921 B19R2.7730 Nc1ccc(cc1OCC(O)c2ccccc2)I 7a_100000057187_100000185958 [0,2,0,0,0,0|2,0,0]=4 10922 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)Br 34a_100000739049_100011933945 [0,2,0,0,0,0|2,0,0]=4 10923 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)Br 7a_100000739049_100011933945 [0,2,0,0,0,0|2,0,0]=4 10924 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)Cl 34a_100000185728_100011933945 [0,2,0,0,0,0|2,0,0]=4 10925 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)Cl 7a_100000185728_100011933945 [0,2,0,0,0,0|2,0,0]=4 10926 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)F 34a_100000753323_100011933945 [0,2,0,0,0,0|2,0,0]=4 10927 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)F 7a_100000753323_100011933945 [0,2,0,0,0,0|2,0,0]=4 10928 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)I 34a_100000057187_100011933945 [0,2,0,0,0,0|2,0,0]=4 10929 B19R2.7730 Nc1ccc(cc1OC[C@@H](O)c2ccccc2)I 7a_100000057187_100011933945 [0,2,0,0,0,0|2,0,0]=4 10930 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)Br 62a_100000185958_100000187925 [0,2,0,0,0,0|2,0,0]=4 10931 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)Br 62a_100000187925_100000185958 [0,2,0,0,0,0|2,0,0]=4 10932 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)Cl 62a_100000185958_100000761889 [0,2,0,0,0,0|2,0,0]=4 10933 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)Cl 62a_100000761889_100000185958 [0,2,0,0,0,0|2,0,0]=4 10934 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)F 62a_100000185958_100000760547 [0,2,0,0,0,0|2,0,0]=4 10935 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)F 62a_100000760547_100000185958 [0,2,0,0,0,0|2,0,0]=4 10936 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)O 62a_100000185958_100012001276 [0,2,0,0,0,0|2,0,0]=4 10937 B19R2.7730 Nc1ccc(cc1SCC(O)c2ccccc2)O 62a_100012001276_100000185958 [0,2,0,0,0,0|2,0,0]=4 10938 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)Br 62a_100000187925_100011933945 [0,2,0,0,0,0|2,0,0]=4 10939 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100000187925 [0,2,0,0,0,0|2,0,0]=4 10940 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)Cl 62a_100000761889_100011933945 [0,2,0,0,0,0|2,0,0]=4 10941 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000761889 [0,2,0,0,0,0|2,0,0]=4 10942 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)F 62a_100000760547_100011933945 [0,2,0,0,0,0|2,0,0]=4 10943 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000760547 [0,2,0,0,0,0|2,0,0]=4 10944 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)O 62a_100011933945_100012001276 [0,2,0,0,0,0|2,0,0]=4 10945 B19R2.7730 Nc1ccc(cc1SC[C@@H](O)c2ccccc2)O 62a_100012001276_100011933945 [0,2,0,0,0,0|2,0,0]=4 10946 B19R2.7730 Nc1ccc(nc1NCC(O)c2ccccc2)F 27a_100000210709_100009879877 [0,2,0,0,0,0|0,0,0]=2 10947 B19R2.7730 Nc1ccc(nc1NCC(O)c2ccccn2)F 27a_100000691469_100009879877 [0,2,0,0,0,0|1,0,0]=3 10948 B19R2.7730 Nc1ccc(nc1NCC(O)c2cccnc2)F 27a_100020605170_100009879877 [0,2,0,0,0,0|1,0,0]=3 10949 B19R2.7730 Nc1ccc(nc1SCC(O)c2ccccc2)Br 62a_100000185958_100010168765 [0,2,0,0,0,0|1,0,0]=3 10950 B19R2.7730 Nc1ccc(nc1SCC(O)c2ccccc2)Br 62a_100010168765_100000185958 [0,2,0,0,0,0|1,0,0]=3 10951 B19R2.7730 Nc1ccc(nc1SCC(O)c2ccccc2)Cl 62a_100000185958_100010233647 [0,2,0,0,0,0|1,0,0]=3 10952 B19R2.7730 Nc1ccc(nc1SCC(O)c2ccccc2)Cl 62a_100010233647_100000185958 [0,2,0,0,0,0|1,0,0]=3 10953 B19R2.7730 Nc1ccc(nc1SCC(O)c2ccccc2)F 62a_100000185958_100009879877 [0,2,0,0,0,0|1,0,0]=3 10954 B19R2.7730 Nc1ccc(nc1SCC(O)c2ccccc2)F 62a_100009879877_100000185958 [0,2,0,0,0,0|1,0,0]=3 10955 B19R2.7730 Nc1ccc(nc1SC[C@@H](O)c2ccccc2)Br 62a_100010168765_100011933945 [0,2,0,0,0,0|1,0,0]=3 10956 B19R2.7730 Nc1ccc(nc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010168765 [0,2,0,0,0,0|1,0,0]=3 10957 B19R2.7730 Nc1ccc(nc1SC[C@@H](O)c2ccccc2)Cl 62a_100010233647_100011933945 [0,2,0,0,0,0|1,0,0]=3 10958 B19R2.7730 Nc1ccc(nc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010233647 [0,2,0,0,0,0|1,0,0]=3 10959 B19R2.7730 Nc1ccc(nc1SC[C@@H](O)c2ccccc2)F 62a_100009879877_100011933945 [0,2,0,0,0,0|1,0,0]=3 10960 B19R2.7730 Nc1ccc(nc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009879877 [0,2,0,0,0,0|1,0,0]=3 10961 B19R2.7730 Nc1ncc(c(n1)NCC(O)c2ccccc2)F 27a_100000210709_200000093006 [0,2,0,0,0,0|1,0,0]=3 10962 B19R2.7730 Nc1ncc(c(n1)NCC(O)c2ccccn2)F 27a_100000691469_200000093006 [0,2,0,0,0,0|2,0,0]=4 10963 B19R2.7730 Nc1ncc(c(n1)NCC(O)c2cccnc2)F 27a_100020605170_200000093006 [0,2,0,0,0,0|2,0,0]=4 10964 B19R2.7730 Nc1ncc(c(n1)SCC(O)c2ccccc2)F 62a_100000185958_200000093006 [0,2,0,0,0,0|2,0,0]=4 10965 B19R2.7730 Nc1ncc(c(n1)SCC(O)c2ccccc2)F 62a_200000093006_100000185958 [0,2,0,0,0,0|2,0,0]=4 10966 B19R2.7730 Nc1ncc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_200000093006 [0,2,0,0,0,0|2,0,0]=4 10967 B19R2.7730 Nc1ncc(c(n1)SC[C@@H](O)c2ccccc2)F 62a_200000093006_100011933945 [0,2,0,0,0,0|2,0,0]=4 10968 B19R2.7730 Nc1ncc(nc1SCC(O)c2ccccc2)Br 62a_100000185958_100010988662 [0,2,0,0,0,0|2,0,0]=4 10969 B19R2.7730 Nc1ncc(nc1SCC(O)c2ccccc2)Br 62a_100010988662_100000185958 [0,2,0,0,0,0|2,0,0]=4 10970 B19R2.7730 Nc1ncc(nc1SC[C@@H](O)c2ccccc2)Br 62a_100010988662_100011933945 [0,2,0,0,0,0|2,0,0]=4 10971 B19R2.7730 Nc1ncc(nc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010988662 [0,2,0,0,0,0|2,0,0]=4 10972 B19R2.7730 OC(CNc1cc(ccc1Br)Br)c2ccccc2 34a_100000737762_100000185958 [0,2,0,0,0,0|1,0,0]=3 10973 B19R2.7730 OC(CNc1cc(ccc1Br)Cl)c2ccccc2 34a_100000687073_100000185958 [0,2,0,0,0,0|1,0,0]=3 10974 B19R2.7730 OC(CNc1cc(ccc1Br)F)c2ccccc2 34a_100000687223_100000185958 [0,2,0,0,0,0|1,0,0]=3 10975 B19R2.7730 OC(CNc1cc(ccc1Cl)Br)c2ccccc2 34a_100000750497_100000185958 [0,2,0,0,0,0|1,0,0]=3 10976 B19R2.7730 OC(CNc1cc(ccc1Cl)Cl)c2ccccc2 34a_100000184485_100000185958 [0,2,0,0,0,0|1,0,0]=3 10977 B19R2.7730 OC(CNc1cc(ccc1Cl)F)c2ccccc2 34a_100000751338_100000185958 [0,2,0,0,0,0|1,0,0]=3 10978 B19R2.7730 OC(CNc1cc(ccc1Cl)I)c2ccccc2 34a_200000761891_100000185958 [0,2,0,0,0,0|1,0,0]=3 10979 B19R2.7730 OC(CNc1cc(ccc1F)Br)c2ccccc2 34a_100000740924_100000185958 [0,2,0,0,0,0|1,0,0]=3 10980 B19R2.7730 OC(CNc1cc(ccc1F)Cl)c2ccccc2 34a_100000212115_100000185958 [0,2,0,0,0,0|1,0,0]=3 10981 B19R2.7730 OC(CNc1cc(ccc1F)F)c2ccccc2 34a_100000210742_100000185958 [0,2,0,0,0,0|1,0,0]=3 10982 B19R2.7730 OC(CNc1cc(ccc1F)I)c2ccccc2 34a_100011464823_100000185958 [0,2,0,0,0,0|1,0,0]=3 10983 B19R2.7730 OC(CNc1cc(ccc1I)Br)c2ccccc2 34a_100000743836_100000185958 [0,2,0,0,0,0|1,0,0]=3 10984 B19R2.7730 OC(CNc1cc(ccc1I)Cl)c2ccccc2 34a_100000761886_100000185958 [0,2,0,0,0,0|1,0,0]=3 10985 B19R2.7730 OC(CNc1cc(ccc1I)F)c2ccccc2 34a_100011218093_100000185958 [0,2,0,0,0,0|1,0,0]=3 10986 B19R2.7730 OC(CNc1cc(cnc1F)Br)c2ccccc2 27a_100000210709_100010172738 [0,2,0,0,0,0|2,0,0]=4 10987 B19R2.7730 OC(CNc1cc(cnc1F)Cl)c2ccccc2 27a_100000210709_100010188783 [0,2,0,0,0,0|2,0,0]=4 10988 B19R2.7730 OC(CNc1cc(ncc1Br)Br)c2ccccc2 27a_100000210709_100010171693 [0,2,0,0,0,0|2,0,0]=4 10989 B19R2.7730 OC(CNc1cc(ncc1Cl)F)c2ccccc2 27a_100000210709_100009892587 [0,2,0,0,0,0|2,0,0]=4 10990 B19R2.7730 OC(CNc1cc(ncc1F)F)c2ccccc2 27a_100000210709_100010233071 [0,2,0,0,0,0|2,0,0]=4 10991 B19R2.7730 OC(CNc1nc(ccc1F)F)c2ccccc2 27a_100000210709_100010997973 [0,2,0,0,0,0|0,0,0]=2 10992 B19R2.7730 OC(CNc1nc(ccc1F)F)c2ccccn2 27a_100000691469_100010997973 [0,2,0,0,0,0|1,0,0]=3 10993 B19R2.7730 OC(CNc1nc(ccc1F)F)c2cccnc2 27a_100020605170_100010997973 [0,2,0,0,0,0|1,0,0]=3 10994 B19R2.7730 OC(COc1cc(ccc1Br)Br)c2ccccc2 34a_100011220040_100000185958 [0,2,0,0,0,0|2,0,0]=4 10995 B19R2.7730 OC(COc1cc(ccc1Br)Br)c2ccccc2 7a_100011220040_100000185958 [0,2,0,0,0,0|2,0,0]=4 10996 B19R2.7730 OC(COc1cc(ccc1Br)Cl)c2ccccc2 34a_100012339455_100000185958 [0,2,0,0,0,0|2,0,0]=4 10997 B19R2.7730 OC(COc1cc(ccc1Br)Cl)c2ccccc2 7a_100012339455_100000185958 [0,2,0,0,0,0|2,0,0]=4 10998 B19R2.7730 OC(COc1cc(ccc1Br)F)c2ccccc2 34a_100000690578_100000185958 [0,2,0,0,0,0|2,0,0]=4 10999 B19R2.7730 OC(COc1cc(ccc1Br)F)c2ccccc2 7a_100000690578_100000185958 [0,2,0,0,0,0|2,0,0]=4 11000 B19R2.7730 OC(COc1cc(ccc1Br)I)c2ccccc2 34a_100012356990_100000185958 [0,2,0,0,0,0|2,0,0]=4 11001 B19R2.7730 OC(COc1cc(ccc1Br)I)c2ccccc2 7a_100012356990_100000185958 [0,2,0,0,0,0|2,0,0]=4 11002 B19R2.7730 OC(COc1cc(ccc1Cl)Br)c2ccccc2 34a_100000738945_100000185958 [0,2,0,0,0,0|2,0,0]=4 11003 B19R2.7730 OC(COc1cc(ccc1Cl)Br)c2ccccc2 7a_100000738945_100000185958 [0,2,0,0,0,0|2,0,0]=4 11004 B19R2.7730 OC(COc1cc(ccc1Cl)Cl)c2ccccc2 34a_100000211422_100000185958 [0,2,0,0,0,0|2,0,0]=4 11005 B19R2.7730 OC(COc1cc(ccc1Cl)Cl)c2ccccc2 7a_100000211422_100000185958 [0,2,0,0,0,0|2,0,0]=4 11006 B19R2.7730 OC(COc1cc(ccc1Cl)F)c2ccccc2 34a_100000692107_100000185958 [0,2,0,0,0,0|2,0,0]=4 11007 B19R2.7730 OC(COc1cc(ccc1Cl)F)c2ccccc2 7a_100000692107_100000185958 [0,2,0,0,0,0|2,0,0]=4 11008 B19R2.7730 OC(COc1cc(ccc1Cl)I)c2ccccc2 34a_100011356854_100000185958 [0,2,0,0,0,0|2,0,0]=4 11009 B19R2.7730 OC(COc1cc(ccc1Cl)I)c2ccccc2 7a_100011356854_100000185958 [0,2,0,0,0,0|2,0,0]=4 11010 B19R2.7730 OC(COc1cc(ccc1F)Br)c2ccccc2 34a_100000686035_100000185958 [0,2,0,0,0,0|2,0,0]=4 11011 B19R2.7730 OC(COc1cc(ccc1F)Br)c2ccccc2 7a_100000686035_100000185958 [0,2,0,0,0,0|2,0,0]=4 11012 B19R2.7730 OC(COc1cc(ccc1F)Cl)c2ccccc2 34a_100000757397_100000185958 [0,2,0,0,0,0|2,0,0]=4 11013 B19R2.7730 OC(COc1cc(ccc1F)Cl)c2ccccc2 7a_100000757397_100000185958 [0,2,0,0,0,0|2,0,0]=4 11014 B19R2.7730 OC(COc1cc(ccc1F)F)c2ccccc2 34a_100000752141_100000185958 [0,2,0,0,0,0|2,0,0]=4 11015 B19R2.7730 OC(COc1cc(ccc1F)F)c2ccccc2 7a_100000752141_100000185958 [0,2,0,0,0,0|2,0,0]=4 11016 B19R2.7730 OC(COc1cc(ccc1F)I)c2ccccc2 34a_100009958187_100000185958 [0,2,0,0,0,0|2,0,0]=4 11017 B19R2.7730 OC(COc1cc(ccc1F)I)c2ccccc2 7a_100009958187_100000185958 [0,2,0,0,0,0|2,0,0]=4 11018 B19R2.7730 OC(COc1cc(ccc1I)Br)c2ccccc2 34a_100012344904_100000185958 [0,2,0,0,0,0|2,0,0]=4 11019 B19R2.7730 OC(COc1cc(ccc1I)Br)c2ccccc2 7a_100012344904_100000185958 [0,2,0,0,0,0|2,0,0]=4 11020 B19R2.7730 OC(COc1cc(ccc1I)Cl)c2ccccc2 34a_100000050036_100000185958 [0,2,0,0,0,0|2,0,0]=4 11021 B19R2.7730 OC(COc1cc(ccc1I)Cl)c2ccccc2 7a_100000050036_100000185958 [0,2,0,0,0,0|2,0,0]=4 11022 B19R2.7730 OC(COc1cc(ccc1I)F)c2ccccc2 34a_100010084537_100000185958 [0,2,0,0,0,0|2,0,0]=4 11023 B19R2.7730 OC(COc1cc(ccc1I)F)c2ccccc2 7a_100010084537_100000185958 [0,2,0,0,0,0|2,0,0]=4 11024 B19R2.7730 OC(COc1nc(ccc1F)Cl)c2ccccc2 34a_100010729010_100000185958 [0,2,0,0,0,0|1,0,0]=3 11025 B19R2.7730 OC(COc1nc(ncc1F)Cl)c2ccccc2 34a_100011995740_100000185958 [0,2,0,0,0,0|2,0,0]=4 11026 B19R2.7730 OC(CSc1cc(ccc1Br)Cl)c2ccccc2 62a_100000185958_100012339723 [0,2,0,0,0,0|2,0,0]=4 11027 B19R2.7730 OC(CSc1cc(ccc1Br)Cl)c2ccccc2 62a_100012339723_100000185958 [0,2,0,0,0,0|2,0,0]=4 11028 B19R2.7730 OC(CSc1cc(ccc1Br)F)c2ccccc2 62a_100000185958_100011217576 [0,2,0,0,0,0|2,0,0]=4 11029 B19R2.7730 OC(CSc1cc(ccc1Br)F)c2ccccc2 62a_100011217576_100000185958 [0,2,0,0,0,0|2,0,0]=4 11030 B19R2.7730 OC(CSc1cc(ccc1Cl)Br)c2ccccc2 62a_100000185958_100011772130 [0,2,0,0,0,0|2,0,0]=4 11031 B19R2.7730 OC(CSc1cc(ccc1Cl)Br)c2ccccc2 62a_100011772130_100000185958 [0,2,0,0,0,0|2,0,0]=4 11032 B19R2.7730 OC(CSc1cc(ccc1Cl)Cl)c2ccccc2 62a_100000185958_100000707729 [0,2,0,0,0,0|2,0,0]=4 11033 B19R2.7730 OC(CSc1cc(ccc1Cl)Cl)c2ccccc2 62a_100000707729_100000185958 [0,2,0,0,0,0|2,0,0]=4 11034 B19R2.7730 OC(CSc1cc(ccc1Cl)F)c2ccccc2 62a_100000185958_100011217299 [0,2,0,0,0,0|2,0,0]=4 11035 B19R2.7730 OC(CSc1cc(ccc1Cl)F)c2ccccc2 62a_100011217299_100000185958 [0,2,0,0,0,0|2,0,0]=4 11036 B19R2.7730 OC(CSc1cc(ccc1F)Br)c2ccccc2 62a_100000185958_100011217312 [0,2,0,0,0,0|2,0,0]=4 11037 B19R2.7730 OC(CSc1cc(ccc1F)Br)c2ccccc2 62a_100011217312_100000185958 [0,2,0,0,0,0|2,0,0]=4 11038 B19R2.7730 OC(CSc1cc(ccc1F)Cl)c2ccccc2 62a_100000185958_100011218116 [0,2,0,0,0,0|2,0,0]=4 11039 B19R2.7730 OC(CSc1cc(ccc1F)Cl)c2ccccc2 62a_100011218116_100000185958 [0,2,0,0,0,0|2,0,0]=4 11040 B19R2.7730 OC(CSc1cc(ccc1F)F)c2ccccc2 62a_100000185958_100011219198 [0,2,0,0,0,0|2,0,0]=4 11041 B19R2.7730 OC(CSc1cc(ccc1F)F)c2ccccc2 62a_100011219198_100000185958 [0,2,0,0,0,0|2,0,0]=4 11042 B19R2.7730 OC(CSc1nc(ccc1F)Cl)c2ccccc2 62a_100000185958_100010136221 [0,2,0,0,0,0|1,0,0]=3 11043 B19R2.7730 OC(CSc1nc(ccc1F)Cl)c2ccccc2 62a_100010136221_100000185958 [0,2,0,0,0,0|1,0,0]=3 11044 B19R2.7730 OC(CSc1nc(ccc1F)F)c2ccccc2 62a_100000185958_100010997973 [0,2,0,0,0,0|1,0,0]=3 11045 B19R2.7730 OC(CSc1nc(ccc1F)F)c2ccccc2 62a_100010997973_100000185958 [0,2,0,0,0,0|1,0,0]=3 11046 B19R2.7730 O[C@H](CNc1cc(ccc1Br)Br)c2ccccc2 34a_100000737762_100011933945 [0,2,0,0,0,0|1,0,0]=3 11047 B19R2.7730 O[C@H](CNc1cc(ccc1Br)Cl)c2ccccc2 34a_100000687073_100011933945 [0,2,0,0,0,0|1,0,0]=3 11048 B19R2.7730 O[C@H](CNc1cc(ccc1Br)F)c2ccccc2 34a_100000687223_100011933945 [0,2,0,0,0,0|1,0,0]=3 11049 B19R2.7730 O[C@H](CNc1cc(ccc1Cl)Br)c2ccccc2 34a_100000750497_100011933945 [0,2,0,0,0,0|1,0,0]=3 11050 B19R2.7730 O[C@H](CNc1cc(ccc1Cl)Cl)c2ccccc2 34a_100000184485_100011933945 [0,2,0,0,0,0|1,0,0]=3 11051 B19R2.7730 O[C@H](CNc1cc(ccc1Cl)F)c2ccccc2 34a_100000751338_100011933945 [0,2,0,0,0,0|1,0,0]=3 11052 B19R2.7730 O[C@H](CNc1cc(ccc1Cl)I)c2ccccc2 34a_200000761891_100011933945 [0,2,0,0,0,0|1,0,0]=3 11053 B19R2.7730 O[C@H](CNc1cc(ccc1F)Br)c2ccccc2 34a_100000740924_100011933945 [0,2,0,0,0,0|1,0,0]=3 11054 B19R2.7730 O[C@H](CNc1cc(ccc1F)Cl)c2ccccc2 34a_100000212115_100011933945 [0,2,0,0,0,0|1,0,0]=3 11055 B19R2.7730 O[C@H](CNc1cc(ccc1F)F)c2ccccc2 34a_100000210742_100011933945 [0,2,0,0,0,0|1,0,0]=3 11056 B19R2.7730 O[C@H](CNc1cc(ccc1F)I)c2ccccc2 34a_100011464823_100011933945 [0,2,0,0,0,0|1,0,0]=3 11057 B19R2.7730 O[C@H](CNc1cc(ccc1I)Br)c2ccccc2 34a_100000743836_100011933945 [0,2,0,0,0,0|1,0,0]=3 11058 B19R2.7730 O[C@H](CNc1cc(ccc1I)Cl)c2ccccc2 34a_100000761886_100011933945 [0,2,0,0,0,0|1,0,0]=3 11059 B19R2.7730 O[C@H](CNc1cc(ccc1I)F)c2ccccc2 34a_100011218093_100011933945 [0,2,0,0,0,0|1,0,0]=3 11060 B19R2.7730 O[C@H](COc1cc(ccc1Br)Br)c2ccccc2 34a_100011220040_100011933945 [0,2,0,0,0,0|2,0,0]=4 11061 B19R2.7730 O[C@H](COc1cc(ccc1Br)Br)c2ccccc2 7a_100011220040_100011933945 [0,2,0,0,0,0|2,0,0]=4 11062 B19R2.7730 O[C@H](COc1cc(ccc1Br)Cl)c2ccccc2 34a_100012339455_100011933945 [0,2,0,0,0,0|2,0,0]=4 11063 B19R2.7730 O[C@H](COc1cc(ccc1Br)Cl)c2ccccc2 7a_100012339455_100011933945 [0,2,0,0,0,0|2,0,0]=4 11064 B19R2.7730 O[C@H](COc1cc(ccc1Br)F)c2ccccc2 34a_100000690578_100011933945 [0,2,0,0,0,0|2,0,0]=4 11065 B19R2.7730 O[C@H](COc1cc(ccc1Br)F)c2ccccc2 7a_100000690578_100011933945 [0,2,0,0,0,0|2,0,0]=4 11066 B19R2.7730 O[C@H](COc1cc(ccc1Br)I)c2ccccc2 34a_100012356990_100011933945 [0,2,0,0,0,0|2,0,0]=4 11067 B19R2.7730 O[C@H](COc1cc(ccc1Br)I)c2ccccc2 7a_100012356990_100011933945 [0,2,0,0,0,0|2,0,0]=4 11068 B19R2.7730 O[C@H](COc1cc(ccc1Cl)Br)c2ccccc2 34a_100000738945_100011933945 [0,2,0,0,0,0|2,0,0]=4 11069 B19R2.7730 O[C@H](COc1cc(ccc1Cl)Br)c2ccccc2 7a_100000738945_100011933945 [0,2,0,0,0,0|2,0,0]=4 11070 B19R2.7730 O[C@H](COc1cc(ccc1Cl)Cl)c2ccccc2 34a_100000211422_100011933945 [0,2,0,0,0,0|2,0,0]=4 11071 B19R2.7730 O[C@H](COc1cc(ccc1Cl)Cl)c2ccccc2 7a_100000211422_100011933945 [0,2,0,0,0,0|2,0,0]=4 11072 B19R2.7730 O[C@H](COc1cc(ccc1Cl)F)c2ccccc2 34a_100000692107_100011933945 [0,2,0,0,0,0|2,0,0]=4 11073 B19R2.7730 O[C@H](COc1cc(ccc1Cl)F)c2ccccc2 7a_100000692107_100011933945 [0,2,0,0,0,0|2,0,0]=4 11074 B19R2.7730 O[C@H](COc1cc(ccc1Cl)I)c2ccccc2 34a_100011356854_100011933945 [0,2,0,0,0,0|2,0,0]=4 11075 B19R2.7730 O[C@H](COc1cc(ccc1Cl)I)c2ccccc2 7a_100011356854_100011933945 [0,2,0,0,0,0|2,0,0]=4 11076 B19R2.7730 O[C@H](COc1cc(ccc1F)Br)c2ccccc2 34a_100000686035_100011933945 [0,2,0,0,0,0|2,0,0]=4 11077 B19R2.7730 O[C@H](COc1cc(ccc1F)Br)c2ccccc2 7a_100000686035_100011933945 [0,2,0,0,0,0|2,0,0]=4 11078 B19R2.7730 O[C@H](COc1cc(ccc1F)Cl)c2ccccc2 34a_100000757397_100011933945 [0,2,0,0,0,0|2,0,0]=4 11079 B19R2.7730 O[C@H](COc1cc(ccc1F)Cl)c2ccccc2 7a_100000757397_100011933945 [0,2,0,0,0,0|2,0,0]=4 11080 B19R2.7730 O[C@H](COc1cc(ccc1F)F)c2ccccc2 34a_100000752141_100011933945 [0,2,0,0,0,0|2,0,0]=4 11081 B19R2.7730 O[C@H](COc1cc(ccc1F)F)c2ccccc2 7a_100000752141_100011933945 [0,2,0,0,0,0|2,0,0]=4 11082 B19R2.7730 O[C@H](COc1cc(ccc1F)I)c2ccccc2 34a_100009958187_100011933945 [0,2,0,0,0,0|2,0,0]=4 11083 B19R2.7730 O[C@H](COc1cc(ccc1F)I)c2ccccc2 7a_100009958187_100011933945 [0,2,0,0,0,0|2,0,0]=4 11084 B19R2.7730 O[C@H](COc1cc(ccc1I)Br)c2ccccc2 34a_100012344904_100011933945 [0,2,0,0,0,0|2,0,0]=4 11085 B19R2.7730 O[C@H](COc1cc(ccc1I)Br)c2ccccc2 7a_100012344904_100011933945 [0,2,0,0,0,0|2,0,0]=4 11086 B19R2.7730 O[C@H](COc1cc(ccc1I)Cl)c2ccccc2 34a_100000050036_100011933945 [0,2,0,0,0,0|2,0,0]=4 11087 B19R2.7730 O[C@H](COc1cc(ccc1I)Cl)c2ccccc2 7a_100000050036_100011933945 [0,2,0,0,0,0|2,0,0]=4 11088 B19R2.7730 O[C@H](COc1cc(ccc1I)F)c2ccccc2 34a_100010084537_100011933945 [0,2,0,0,0,0|2,0,0]=4 11089 B19R2.7730 O[C@H](COc1cc(ccc1I)F)c2ccccc2 7a_100010084537_100011933945 [0,2,0,0,0,0|2,0,0]=4 11090 B19R2.7730 O[C@H](COc1nc(ccc1F)Cl)c2ccccc2 34a_100010729010_100011933945 [0,2,0,0,0,0|1,0,0]=3 11091 B19R2.7730 O[C@H](COc1nc(ncc1F)Cl)c2ccccc2 34a_100011995740_100011933945 [0,2,0,0,0,0|2,0,0]=4 11092 B19R2.7730 O[C@H](CSc1cc(ccc1Br)Cl)c2ccccc2 62a_100011933945_100012339723 [0,2,0,0,0,0|2,0,0]=4 11093 B19R2.7730 O[C@H](CSc1cc(ccc1Br)Cl)c2ccccc2 62a_100012339723_100011933945 [0,2,0,0,0,0|2,0,0]=4 11094 B19R2.7730 O[C@H](CSc1cc(ccc1Br)F)c2ccccc2 62a_100011217576_100011933945 [0,2,0,0,0,0|2,0,0]=4 11095 B19R2.7730 O[C@H](CSc1cc(ccc1Br)F)c2ccccc2 62a_100011933945_100011217576 [0,2,0,0,0,0|2,0,0]=4 11096 B19R2.7730 O[C@H](CSc1cc(ccc1Cl)Br)c2ccccc2 62a_100011772130_100011933945 [0,2,0,0,0,0|2,0,0]=4 11097 B19R2.7730 O[C@H](CSc1cc(ccc1Cl)Br)c2ccccc2 62a_100011933945_100011772130 [0,2,0,0,0,0|2,0,0]=4 11098 B19R2.7730 O[C@H](CSc1cc(ccc1Cl)Cl)c2ccccc2 62a_100000707729_100011933945 [0,2,0,0,0,0|2,0,0]=4 11099 B19R2.7730 O[C@H](CSc1cc(ccc1Cl)Cl)c2ccccc2 62a_100011933945_100000707729 [0,2,0,0,0,0|2,0,0]=4 11100 B19R2.7730 O[C@H](CSc1cc(ccc1Cl)F)c2ccccc2 62a_100011217299_100011933945 [0,2,0,0,0,0|2,0,0]=4 11101 B19R2.7730 O[C@H](CSc1cc(ccc1Cl)F)c2ccccc2 62a_100011933945_100011217299 [0,2,0,0,0,0|2,0,0]=4 11102 B19R2.7730 O[C@H](CSc1cc(ccc1F)Br)c2ccccc2 62a_100011217312_100011933945 [0,2,0,0,0,0|2,0,0]=4 11103 B19R2.7730 O[C@H](CSc1cc(ccc1F)Br)c2ccccc2 62a_100011933945_100011217312 [0,2,0,0,0,0|2,0,0]=4 11104 B19R2.7730 O[C@H](CSc1cc(ccc1F)Cl)c2ccccc2 62a_100011218116_100011933945 [0,2,0,0,0,0|2,0,0]=4 11105 B19R2.7730 O[C@H](CSc1cc(ccc1F)Cl)c2ccccc2 62a_100011933945_100011218116 [0,2,0,0,0,0|2,0,0]=4 11106 B19R2.7730 O[C@H](CSc1cc(ccc1F)F)c2ccccc2 62a_100011219198_100011933945 [0,2,0,0,0,0|2,0,0]=4 11107 B19R2.7730 O[C@H](CSc1cc(ccc1F)F)c2ccccc2 62a_100011933945_100011219198 [0,2,0,0,0,0|2,0,0]=4 11108 B19R2.7730 O[C@H](CSc1nc(ccc1F)Cl)c2ccccc2 62a_100010136221_100011933945 [0,2,0,0,0,0|1,0,0]=3 11109 B19R2.7730 O[C@H](CSc1nc(ccc1F)Cl)c2ccccc2 62a_100011933945_100010136221 [0,2,0,0,0,0|1,0,0]=3 11110 B19R2.7730 O[C@H](CSc1nc(ccc1F)F)c2ccccc2 62a_100010997973_100011933945 [0,2,0,0,0,0|1,0,0]=3 11111 B19R2.7730 O[C@H](CSc1nc(ccc1F)F)c2ccccc2 62a_100011933945_100010997973 [0,2,0,0,0,0|1,0,0]=3 11112 B19R2.7730 Oc1ccc(c(c1)NCC(O)c2ccccc2)Br 34a_100011999798_100000185958 [0,2,0,0,0,0|1,0,0]=3 11113 B19R2.7730 Oc1ccc(c(c1)NCC(O)c2ccccc2)Cl 34a_100011934297_100000185958 [0,2,0,0,0,0|1,0,0]=3 11114 B19R2.7730 Oc1ccc(c(c1)NCC(O)c2ccccc2)F 34a_100012017239_100000185958 [0,2,0,0,0,0|1,0,0]=3 11115 B19R2.7730 Oc1ccc(c(c1)NC[C@@H](O)c2ccccc2)Br 34a_100011999798_100011933945 [0,2,0,0,0,0|1,0,0]=3 11116 B19R2.7730 Oc1ccc(c(c1)NC[C@@H](O)c2ccccc2)Cl 34a_100011934297_100011933945 [0,2,0,0,0,0|1,0,0]=3 11117 B19R2.7730 Oc1ccc(c(c1)NC[C@@H](O)c2ccccc2)F 34a_100012017239_100011933945 [0,2,0,0,0,0|1,0,0]=3 11118 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)Br 62a_100000185958_100012339312 [0,2,0,0,0,0|2,0,0]=4 11119 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)Br 62a_100012339312_100000185958 [0,2,0,0,0,0|2,0,0]=4 11120 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)Cl 62a_100000049588_100000185958 [0,2,0,0,0,0|2,0,0]=4 11121 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)Cl 62a_100000185958_100000049588 [0,2,0,0,0,0|2,0,0]=4 11122 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)F 62a_100000185958_100000693481 [0,2,0,0,0,0|2,0,0]=4 11123 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)F 62a_100000693481_100000185958 [0,2,0,0,0,0|2,0,0]=4 11124 B19R2.7730 Oc1ccc(c(c1)SCC(O)c2ccccc2)O 62a_100000185958_100009813629 [0,2,0,0,0,0|2,0,0]=4 11125 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100012339312 [0,2,0,0,0,0|2,0,0]=4 11126 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Br 62a_100012339312_100011933945 [0,2,0,0,0,0|2,0,0]=4 11127 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100000049588_100011933945 [0,2,0,0,0,0|2,0,0]=4 11128 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000049588 [0,2,0,0,0,0|2,0,0]=4 11129 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)F 62a_100000693481_100011933945 [0,2,0,0,0,0|2,0,0]=4 11130 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000693481 [0,2,0,0,0,0|2,0,0]=4 11131 B19R2.7730 Oc1ccc(c(c1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_100009813629 [0,2,0,0,0,0|2,0,0]=4 11132 B19R2.7730 Oc1ccc(cc1NCC(O)c2ccccc2)Br 34a_100000752626_100000185958 [0,2,0,0,0,0|1,0,0]=3 11133 B19R2.7730 Oc1ccc(cc1NCC(O)c2ccccc2)Cl 34a_100000210500_100000185958 [0,2,0,0,0,0|1,0,0]=3 11134 B19R2.7730 Oc1ccc(cc1NCC(O)c2ccccc2)F 34a_100000759472_100000185958 [0,2,0,0,0,0|1,0,0]=3 11135 B19R2.7730 Oc1ccc(cc1NC[C@@H](O)c2ccccc2)Br 34a_100000752626_100011933945 [0,2,0,0,0,0|1,0,0]=3 11136 B19R2.7730 Oc1ccc(cc1NC[C@@H](O)c2ccccc2)Cl 34a_100000210500_100011933945 [0,2,0,0,0,0|1,0,0]=3 11137 B19R2.7730 Oc1ccc(cc1NC[C@@H](O)c2ccccc2)F 34a_100000759472_100011933945 [0,2,0,0,0,0|1,0,0]=3 11138 B19R2.7730 Oc1ccc(cc1SCC(O)c2ccccc2)Br 62a_100000185958_100012355227 [0,2,0,0,0,0|2,0,0]=4 11139 B19R2.7730 Oc1ccc(cc1SCC(O)c2ccccc2)Br 62a_100012355227_100000185958 [0,2,0,0,0,0|2,0,0]=4 11140 B19R2.7730 Oc1ccc(cc1SCC(O)c2ccccc2)Cl 62a_100000185958_100011356953 [0,2,0,0,0,0|2,0,0]=4 11141 B19R2.7730 Oc1ccc(cc1SCC(O)c2ccccc2)Cl 62a_100011356953_100000185958 [0,2,0,0,0,0|2,0,0]=4 11142 B19R2.7730 Oc1ccc(cc1SCC(O)c2ccccc2)F 62a_100000185958_100000211999 [0,2,0,0,0,0|2,0,0]=4 11143 B19R2.7730 Oc1ccc(cc1SCC(O)c2ccccc2)F 62a_100000211999_100000185958 [0,2,0,0,0,0|2,0,0]=4 11144 B19R2.7730 Oc1ccc(cc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100012355227 [0,2,0,0,0,0|2,0,0]=4 11145 B19R2.7730 Oc1ccc(cc1SC[C@@H](O)c2ccccc2)Br 62a_100012355227_100011933945 [0,2,0,0,0,0|2,0,0]=4 11146 B19R2.7730 Oc1ccc(cc1SC[C@@H](O)c2ccccc2)Cl 62a_100011356953_100011933945 [0,2,0,0,0,0|2,0,0]=4 11147 B19R2.7730 Oc1ccc(cc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100011356953 [0,2,0,0,0,0|2,0,0]=4 11148 B19R2.7730 Oc1ccc(cc1SC[C@@H](O)c2ccccc2)F 62a_100000211999_100011933945 [0,2,0,0,0,0|2,0,0]=4 11149 B19R2.7730 Oc1ccc(cc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000211999 [0,2,0,0,0,0|2,0,0]=4 11150 B19R2.7730 Oc1ccc(nc1SCC(O)c2ccccc2)Br 62a_100000185958_100010253912 [0,2,0,0,0,0|1,0,0]=3 11151 B19R2.7730 Oc1ccc(nc1SCC(O)c2ccccc2)Br 62a_100010253912_100000185958 [0,2,0,0,0,0|1,0,0]=3 11152 B19R2.7730 Oc1ccc(nc1SCC(O)c2ccccc2)Cl 62a_100000185958_100000696390 [0,2,0,0,0,0|1,0,0]=3 11153 B19R2.7730 Oc1ccc(nc1SCC(O)c2ccccc2)F 62a_100000185958_100010382442 [0,2,0,0,0,0|1,0,0]=3 11154 B19R2.7730 Oc1ccc(nc1SCC(O)c2ccccc2)F 62a_100010382442_100000185958 [0,2,0,0,0,0|1,0,0]=3 11155 B19R2.7730 Oc1ccc(nc1SC[C@@H](O)c2ccccc2)Br 62a_100010253912_100011933945 [0,2,0,0,0,0|1,0,0]=3 11156 B19R2.7730 Oc1ccc(nc1SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010253912 [0,2,0,0,0,0|1,0,0]=3 11157 B19R2.7730 Oc1ccc(nc1SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100000696390 [0,2,0,0,0,0|1,0,0]=3 11158 B19R2.7730 Oc1ccc(nc1SC[C@@H](O)c2ccccc2)F 62a_100010382442_100011933945 [0,2,0,0,0,0|1,0,0]=3 11159 B19R2.7730 Oc1ccc(nc1SC[C@@H](O)c2ccccc2)F 62a_100011933945_100010382442 [0,2,0,0,0,0|1,0,0]=3 11160 B19R2.48175 Cc1ccnnc1NCC(O)c2cccc(c2)O 27a_100020657549_100000089043 [0,2,0,0,0,0|1,0,0]=3 11161 B19R2.48175 Cc1cnccc1NCC(O)c2cccc(c2)O 27a_100020657549_100000765111 [0,2,0,0,0,0|2,0,0]=4 11162 B19R2.48175 Cc1cncnc1NCC(O)c2cccc(c2)O 27a_100020657549_100011998708 [0,2,0,0,0,0|1,0,0]=3 11163 B19R2.48175 Cc1nccnc1NCC(O)c2cccc(c2)O 27a_100020657549_100011999405 [0,2,0,0,0,0|1,0,0]=3 11164 B19R2.48175 Nc1cncnc1NCC(O)c2cccc(c2)O 27a_100020657549_100000709731 [0,2,0,0,0,0|1,0,0]=3 11165 B19R2.48175 Oc1cccc(c1)C(O)CNc2ccncc2Br 27a_100020657549_100000726257 [0,2,0,0,0,0|2,0,0]=4 11166 B19R2.48175 Oc1cccc(c1)C(O)CNc2ccncc2F 27a_100020657549_100000035921 [0,2,0,0,0,0|2,0,0]=4 11167 B19R2.48175 Oc1cccc(c1)C(O)CNc2ncccc2Br 27a_100020657549_100000696092 [0,2,0,0,0,0|0,0,0]=2 11168 B19R2.48175 Oc1cccc(c1)C(O)CNc2nccnc2F 27a_100020657549_200010125657 [0,2,0,0,0,0|1,0,0]=3 11169 B19R2.48175 Oc1cccc(c1)C(O)CNc2ncncc2F 27a_100020657549_100000069762 [0,2,0,0,0,0|1,0,0]=3 11170 B19R2.50154 Cc1ccnnc1NCC(O)c2ccccc2Br 27a_100011236429_100000089043 [0,2,0,0,0,0|1,0,0]=3 11171 B19R2.50154 Cc1ccnnc1NCC(O)c2ccccc2Cl 27a_200000759403_100000089043 [0,2,0,0,0,0|1,0,0]=3 11172 B19R2.50154 Cc1cnccc1NCC(O)c2ccccc2Br 27a_100011236429_100000765111 [0,2,0,0,0,0|2,0,0]=4 11173 B19R2.50154 Cc1cnccc1NCC(O)c2ccccc2Cl 27a_200000759403_100000765111 [0,2,0,0,0,0|2,0,0]=4 11174 B19R2.50154 Cc1cncnc1NCC(O)c2ccccc2Br 27a_100011236429_100011998708 [0,2,0,0,0,0|1,0,0]=3 11175 B19R2.50154 Cc1cncnc1NCC(O)c2ccccc2Cl 27a_200000759403_100011998708 [0,2,0,0,0,0|1,0,0]=3 11176 B19R2.50154 Cc1nccnc1NCC(O)c2ccccc2Br 27a_100011236429_100011999405 [0,2,0,0,0,0|1,0,0]=3 11177 B19R2.50154 Cc1nccnc1NCC(O)c2ccccc2Cl 27a_200000759403_100011999405 [0,2,0,0,0,0|1,0,0]=3 11178 B19R2.50154 Nc1cncnc1NCC(O)c2ccccc2Br 27a_100011236429_100000709731 [0,2,0,0,0,0|1,0,0]=3 11179 B19R2.50154 Nc1cncnc1NCC(O)c2ccccc2Cl 27a_200000759403_100000709731 [0,2,0,0,0,0|1,0,0]=3 11180 B19R2.50154 OC(CNc1ccncc1Br)c2ccccc2Br 27a_100011236429_100000726257 [0,2,0,0,0,0|2,0,0]=4 11181 B19R2.50154 OC(CNc1ccncc1Br)c2ccccc2Cl 27a_200000759403_100000726257 [0,2,0,0,0,0|2,0,0]=4 11182 B19R2.50154 OC(CNc1ccncc1F)c2ccccc2Br 27a_100011236429_100000035921 [0,2,0,0,0,0|2,0,0]=4 11183 B19R2.50154 OC(CNc1ccncc1F)c2ccccc2Cl 27a_200000759403_100000035921 [0,2,0,0,0,0|2,0,0]=4 11184 B19R2.50154 OC(CNc1ncccc1Br)c2ccccc2Br 27a_100011236429_100000696092 [0,2,0,0,0,0|0,0,0]=2 11185 B19R2.50154 OC(CNc1ncccc1Br)c2ccccc2Cl 27a_200000759403_100000696092 [0,2,0,0,0,0|0,0,0]=2 11186 B19R2.50154 OC(CNc1nccnc1F)c2ccccc2Br 27a_100011236429_200010125657 [0,2,0,0,0,0|1,0,0]=3 11187 B19R2.50154 OC(CNc1nccnc1F)c2ccccc2Cl 27a_200000759403_200010125657 [0,2,0,0,0,0|1,0,0]=3 11188 B19R2.50154 OC(CNc1ncncc1F)c2ccccc2Br 27a_100011236429_100000069762 [0,2,0,0,0,0|1,0,0]=3 11189 B19R2.50154 OC(CNc1ncncc1F)c2ccccc2Cl 27a_200000759403_100000069762 [0,2,0,0,0,0|1,0,0]=3 11190 B19R2.4480 O=C(Cc1ccccn1)C(O)c2ccccc2Br 1458a_200011356456_100000721315 [0,2,0,0,0,0|1,0,1]=4 11191 B19R2.4480 O=C(Cc1ccccn1)C(O)c2ccccc2Cl 1458a_100011217820_100000721315 [0,2,0,0,0,0|1,0,1]=4 11192 B19R2.4480 O=C(Cc1ccccn1)C(O)c2ccccc2F 1458a_100011219519_100000721315 [0,2,0,0,0,0|1,0,1]=4 11193 B19R2.4480 O=C(Nc1ccccc1)C(O)c2ccccc2Br 22a_100000106764_200011356456 [0,2,0,0,0,0|1,0,1]=4 11194 B19R2.4480 O=C(Nc1ccccc1)C(O)c2ccccc2Cl 22a_100000106764_100011217820 [0,2,0,0,0,0|1,0,1]=4 11195 B19R2.4480 O=C(Nc1ccccc1)C(O)c2ccccc2F 22a_100000106764_100011219519 [0,2,0,0,0,0|1,0,1]=4 11196 B19R2.92345 CC(C)(CNc1cccnn1)c2ccccc2F 27a_100000748766_100016991348 [0,2,0,0,0,0|2,0,0]=4 11197 B19R2.92345 CC(C)(CNc1ccncn1)c2ccccc2F 27a_100000748766_100000703185 [0,2,0,0,0,0|2,0,0]=4 11198 B19R2.92345 CC(C)(CNc1cnccn1)c2ccccc2F 27a_100000748766_100000211759 [0,2,0,0,0,0|2,0,0]=4 11199 B19R2.92345 CC(C)(CNc1ncccn1)c2ccccc2F 27a_100000748766_100000211032 [0,2,0,0,0,0|2,0,0]=4 11200 B19R2.101351 Cc1cc(ccn1)NCC(O)c2ccccc2Br 27a_100011236429_100000758586 [0,2,0,0,0,0|2,0,0]=4 11201 B19R2.101351 Cc1cc(ccn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000758586 [0,2,0,0,0,0|2,0,0]=4 11202 B19R2.101351 Cc1cc(ncn1)NCC(O)c2ccccc2Br 27a_100011236429_100000744208 [0,2,0,0,0,0|1,0,0]=3 11203 B19R2.101351 Cc1cc(ncn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000744208 [0,2,0,0,0,0|1,0,0]=3 11204 B19R2.101351 Cc1ccnc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100000750684 [0,2,0,0,0,0|1,0,0]=3 11205 B19R2.101351 Cc1ccnc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100000750684 [0,2,0,0,0,0|1,0,0]=3 11206 B19R2.101351 Cc1cncc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100000754123 [0,2,0,0,0,0|1,0,0]=3 11207 B19R2.101351 Cc1cncc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100000754123 [0,2,0,0,0,0|1,0,0]=3 11208 B19R2.101351 Cc1cnnc(c1)NCC(O)c2ccccc2Br 27a_100011236429_100000070100 [0,2,0,0,0,0|1,0,0]=3 11209 B19R2.101351 Cc1cnnc(c1)NCC(O)c2ccccc2Cl 27a_200000759403_100000070100 [0,2,0,0,0,0|1,0,0]=3 11210 B19R2.101351 Cc1nccc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100000749937 [0,2,0,0,0,0|1,0,0]=3 11211 B19R2.101351 Cc1nccc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100000749937 [0,2,0,0,0,0|1,0,0]=3 11212 B19R2.101351 Nc1cc(ncn1)NCC(O)c2ccccc2Br 27a_100011236429_100000701291 [0,2,0,0,0,0|1,0,0]=3 11213 B19R2.101351 Nc1cc(ncn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000701291 [0,2,0,0,0,0|1,0,0]=3 11214 B19R2.101351 Nc1ccnc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100000757536 [0,2,0,0,0,0|1,0,0]=3 11215 B19R2.101351 Nc1ccnc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100000757536 [0,2,0,0,0,0|1,0,0]=3 11216 B19R2.101351 Nc1nccc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100000055538 [0,2,0,0,0,0|1,0,0]=3 11217 B19R2.101351 Nc1nccc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100000055538 [0,2,0,0,0,0|1,0,0]=3 11218 B19R2.101351 Nc1ncnc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100000123831 [0,2,0,0,0,0|2,0,0]=4 11219 B19R2.101351 Nc1ncnc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100000123831 [0,2,0,0,0,0|2,0,0]=4 11220 B19R2.101351 O=c1cc(cc[nH]1)NCC(O)c2ccccc2Br 27a_100011236429_100000061649 [0,2,0,0,0,0|2,0,0]=4 11221 B19R2.101351 O=c1cc(cc[nH]1)NCC(O)c2ccccc2Cl 27a_200000759403_100000061649 [0,2,0,0,0,0|2,0,0]=4 11222 B19R2.101351 O=c1nc(cc[nH]1)NCC(O)c2ccccc2Br 27a_100011236429_200000134032 [0,2,0,0,0,0|1,0,0]=3 11223 B19R2.101351 O=c1nc(cc[nH]1)NCC(O)c2ccccc2Cl 27a_200000759403_200000134032 [0,2,0,0,0,0|1,0,0]=3 11224 B19R2.101351 OC(CNc1cc(ccn1)F)c2ccccc2Br 27a_100011236429_100000764206 [0,2,0,0,0,0|0,0,0]=2 11225 B19R2.101351 OC(CNc1cc(ccn1)F)c2ccccc2Cl 27a_200000759403_100000764206 [0,2,0,0,0,0|0,0,0]=2 11226 B19R2.101351 OC(CNc1cc(ncn1)F)c2ccccc2Br 27a_100011236429_200009880791 [0,2,0,0,0,0|1,0,0]=3 11227 B19R2.101351 OC(CNc1cc(ncn1)F)c2ccccc2Cl 27a_200000759403_200009880791 [0,2,0,0,0,0|1,0,0]=3 11228 B19R2.101351 OC(CNc1cccc(n1)F)c2ccccc2Br 27a_100011236429_100009815982 [0,2,0,0,0,0|0,0,0]=2 11229 B19R2.101351 OC(CNc1cccc(n1)F)c2ccccc2Cl 27a_200000759403_100009815982 [0,2,0,0,0,0|0,0,0]=2 11230 B19R2.101351 OC(CNc1ccnc(c1)F)c2ccccc2Br 27a_100011236429_100009816116 [0,2,0,0,0,0|2,0,0]=4 11231 B19R2.101351 OC(CNc1ccnc(c1)F)c2ccccc2Cl 27a_200000759403_100009816116 [0,2,0,0,0,0|2,0,0]=4 11232 B19R2.101351 OC(CNc1cncc(n1)Cl)c2ccccc2Br 27a_100011236429_100010892449 [0,2,0,0,0,0|1,0,0]=3 11233 B19R2.101351 OC(CNc1cncc(n1)Cl)c2ccccc2Cl 27a_200000759403_100010892449 [0,2,0,0,0,0|1,0,0]=3 11234 B19R2.101351 OC(CNc1cncc(n1)F)c2ccccc2Br 27a_100011236429_200009863489 [0,2,0,0,0,0|1,0,0]=3 11235 B19R2.101351 OC(CNc1cncc(n1)F)c2ccccc2Cl 27a_200000759403_200009863489 [0,2,0,0,0,0|1,0,0]=3 11236 B19R2.101351 Oc1cc(ncn1)NCC(O)c2ccccc2Br 27a_100011236429_100000765262 [0,2,0,0,0,0|1,0,0]=3 11237 B19R2.101351 Oc1cc(ncn1)NCC(O)c2ccccc2Cl 27a_200000759403_100000765262 [0,2,0,0,0,0|1,0,0]=3 11238 B19R2.101351 Oc1ccnc(n1)NCC(O)c2ccccc2Br 27a_100011236429_100011649813 [0,2,0,0,0,0|1,0,0]=3 11239 B19R2.101351 Oc1ccnc(n1)NCC(O)c2ccccc2Cl 27a_200000759403_100011649813 [0,2,0,0,0,0|1,0,0]=3 11240 B19R2.101351 [O-][n+]1ccnc(c1)NCC(O)c2ccccc2Br 27a_100011236429_100009880115 [0,2,0,0,0,0|1,0,0]=3 11241 B19R2.101351 [O-][n+]1ccnc(c1)NCC(O)c2ccccc2Cl 27a_200000759403_100009880115 [0,2,0,0,0,0|1,0,0]=3 11242 B19R2.7669 Cc1cccc(c1)C(O)C(=O)Cc2ccccn2 1458a_100011434945_100000721315 [0,2,0,0,0,0|1,0,1]=4 11243 B19R2.7669 Cc1cccc(c1)C(O)C(=O)Nc2ccccc2 22a_100000106764_100011434945 [0,2,0,0,0,0|1,0,1]=4 11244 B19R2.7669 O=C(Cc1ccccn1)C(O)c2cccc(c2)Cl 1458a_100011216955_100000721315 [0,2,0,0,0,0|1,0,1]=4 11245 B19R2.7669 O=C(Cc1ccccn1)C(O)c2cccc(c2)F 1458a_100011434943_100000721315 [0,2,0,0,0,0|1,0,1]=4 11246 B19R2.7669 O=C(Nc1ccccc1)C(O)c2cccc(c2)Cl 22a_100000106764_100011216955 [0,2,0,0,0,0|1,0,1]=4 11247 B19R2.7669 O=C(Nc1ccccc1)C(O)c2cccc(c2)F 22a_100000106764_100011434943 [0,2,0,0,0,0|1,0,1]=4 11248 B19R2.7671 Cc1cc(ccn1)NCC(O)c2cccc(c2)O 27a_100020657549_100000758586 [0,2,0,0,0,0|2,0,0]=4 11249 B19R2.7671 Cc1cc(ncn1)NCC(O)c2cccc(c2)O 27a_100020657549_100000744208 [0,2,0,0,0,0|1,0,0]=3 11250 B19R2.7671 Cc1ccnc(n1)NCC(O)c2cccc(c2)O 27a_100020657549_100000750684 [0,2,0,0,0,0|1,0,0]=3 11251 B19R2.7671 Cc1cncc(n1)NCC(O)c2cccc(c2)O 27a_100020657549_100000754123 [0,2,0,0,0,0|1,0,0]=3 11252 B19R2.7671 Cc1cnnc(c1)NCC(O)c2cccc(c2)O 27a_100020657549_100000070100 [0,2,0,0,0,0|1,0,0]=3 11253 B19R2.7671 Cc1nccc(n1)NCC(O)c2cccc(c2)O 27a_100020657549_100000749937 [0,2,0,0,0,0|1,0,0]=3 11254 B19R2.7671 Nc1cc(ncn1)NCC(O)c2cccc(c2)O 27a_100020657549_100000701291 [0,2,0,0,0,0|1,0,0]=3 11255 B19R2.7671 Nc1ccnc(n1)NCC(O)c2cccc(c2)O 27a_100020657549_100000757536 [0,2,0,0,0,0|1,0,0]=3 11256 B19R2.7671 Nc1nccc(n1)NCC(O)c2cccc(c2)O 27a_100020657549_100000055538 [0,2,0,0,0,0|1,0,0]=3 11257 B19R2.7671 Nc1ncnc(n1)NCC(O)c2cccc(c2)O 27a_100020657549_100000123831 [0,2,0,0,0,0|2,0,0]=4 11258 B19R2.7671 O=c1cc(cc[nH]1)NCC(O)c2cccc(c2)O 27a_100020657549_100000061649 [0,2,0,0,0,0|2,0,0]=4 11259 B19R2.7671 O=c1nc(cc[nH]1)NCC(O)c2cccc(c2)O 27a_100020657549_200000134032 [0,2,0,0,0,0|1,0,0]=3 11260 B19R2.7671 Oc1cccc(c1)C(O)CNc2cc(ccn2)F 27a_100020657549_100000764206 [0,2,0,0,0,0|0,0,0]=2 11261 B19R2.7671 Oc1cccc(c1)C(O)CNc2cc(ncn2)F 27a_100020657549_200009880791 [0,2,0,0,0,0|1,0,0]=3 11262 B19R2.7671 Oc1cccc(c1)C(O)CNc2cc(ncn2)O 27a_100020657549_100000765262 [0,2,0,0,0,0|1,0,0]=3 11263 B19R2.7671 Oc1cccc(c1)C(O)CNc2cccc(n2)F 27a_100020657549_100009815982 [0,2,0,0,0,0|0,0,0]=2 11264 B19R2.7671 Oc1cccc(c1)C(O)CNc2ccnc(c2)F 27a_100020657549_100009816116 [0,2,0,0,0,0|2,0,0]=4 11265 B19R2.7671 Oc1cccc(c1)C(O)CNc2cncc(n2)Cl 27a_100020657549_100010892449 [0,2,0,0,0,0|1,0,0]=3 11266 B19R2.7671 Oc1cccc(c1)C(O)CNc2cncc(n2)F 27a_100020657549_200009863489 [0,2,0,0,0,0|1,0,0]=3 11267 B19R2.7671 Oc1cccc(c1)C(O)CNc2nccc(n2)O 27a_100020657549_100011649813 [0,2,0,0,0,0|1,0,0]=3 11268 B19R2.7671 [O-][n+]1ccnc(c1)NCC(O)c2cccc(c2)O 27a_100020657549_100009880115 [0,2,0,0,0,0|1,0,0]=3 11269 B19R2.48071 CC(C)(CNc1cccnn1)c2cccc(c2)Br 27a_100000749542_100016991348 [0,2,0,0,0,0|2,0,0]=4 11270 B19R2.48071 CC(C)(CNc1cccnn1)c2cccc(c2)Cl 27a_100000747265_100016991348 [0,2,0,0,0,0|2,0,0]=4 11271 B19R2.48071 CC(C)(CNc1cccnn1)c2cccc(c2)F 27a_100000757675_100016991348 [0,2,0,0,0,0|2,0,0]=4 11272 B19R2.48071 CC(C)(CNc1ccncn1)c2cccc(c2)Br 27a_100000749542_100000703185 [0,2,0,0,0,0|2,0,0]=4 11273 B19R2.48071 CC(C)(CNc1ccncn1)c2cccc(c2)Cl 27a_100000747265_100000703185 [0,2,0,0,0,0|2,0,0]=4 11274 B19R2.48071 CC(C)(CNc1ccncn1)c2cccc(c2)F 27a_100000757675_100000703185 [0,2,0,0,0,0|2,0,0]=4 11275 B19R2.48071 CC(C)(CNc1cnccn1)c2cccc(c2)Br 27a_100000749542_100000211759 [0,2,0,0,0,0|2,0,0]=4 11276 B19R2.48071 CC(C)(CNc1cnccn1)c2cccc(c2)Cl 27a_100000747265_100000211759 [0,2,0,0,0,0|2,0,0]=4 11277 B19R2.48071 CC(C)(CNc1cnccn1)c2cccc(c2)F 27a_100000757675_100000211759 [0,2,0,0,0,0|2,0,0]=4 11278 B19R2.48071 CC(C)(CNc1ncccn1)c2cccc(c2)Br 27a_100000749542_100000211032 [0,2,0,0,0,0|2,0,0]=4 11279 B19R2.48071 CC(C)(CNc1ncccn1)c2cccc(c2)Cl 27a_100000747265_100000211032 [0,2,0,0,0,0|2,0,0]=4 11280 B19R2.48071 CC(C)(CNc1ncccn1)c2cccc(c2)F 27a_100000757675_100000211032 [0,2,0,0,0,0|2,0,0]=4 11281 B19R2.883 C#Cc1cccc(c1)NCC(C)c2ccccc2 2230a_100000735509_100000756946 [0,2,0,0,0,0|2,0,0]=4 11282 B19R2.883 C#Cc1cccc(c1)NCC(C)c2ccccc2 34a_100000735509_100000756946 [0,2,0,0,0,0|2,0,0]=4 11283 B19R2.883 C#Cc1cccc(c1)NCC(O)c2ccccc2 2230a_100000735509_100000185958 [0,2,0,0,0,0|1,0,0]=3 11284 B19R2.883 C#Cc1cccc(c1)NCC(O)c2ccccc2 34a_100000735509_100000185958 [0,2,0,0,0,0|1,0,0]=3 11285 B19R2.883 C#Cc1cccc(c1)NC[C@@H](O)c2ccccc2 2230a_100000735509_100011933945 [0,2,0,0,0,0|1,0,0]=3 11286 B19R2.883 C#Cc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000735509_100011933945 [0,2,0,0,0,0|1,0,0]=3 11287 B19R2.883 C#Cc1cccc(c1)OCC(O)c2ccccc2 34a_100011216014_100000185958 [0,2,0,0,0,0|2,0,0]=4 11288 B19R2.883 C#Cc1cccc(c1)OCC(O)c2ccccc2 7a_100011216014_100000185958 [0,2,0,0,0,0|2,0,0]=4 11289 B19R2.883 C#Cc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100011216014_100011933945 [0,2,0,0,0,0|2,0,0]=4 11290 B19R2.883 C#Cc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100011216014_100011933945 [0,2,0,0,0,0|2,0,0]=4 11291 B19R2.883 C=Cc1cccc(c1)NCC(C)c2ccccc2 34a_100011827668_100000756946 [0,2,0,0,0,0|2,0,0]=4 11292 B19R2.883 C=Cc1cccc(c1)NCC(O)c2ccccc2 34a_100011827668_100000185958 [0,2,0,0,0,0|1,0,0]=3 11293 B19R2.883 C=Cc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100011827668_100011933945 [0,2,0,0,0,0|1,0,0]=3 11294 B19R2.883 C=Cc1cccc(c1)OCC(O)c2ccccc2 34a_100011309434_100000185958 [0,2,0,0,0,0|2,0,0]=4 11295 B19R2.883 C=Cc1cccc(c1)OCC(O)c2ccccc2 7a_100011309434_100000185958 [0,2,0,0,0,0|2,0,0]=4 11296 B19R2.883 C=Cc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100011309434_100011933945 [0,2,0,0,0,0|2,0,0]=4 11297 B19R2.883 C=Cc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100011309434_100011933945 [0,2,0,0,0,0|2,0,0]=4 11298 B19R2.883 C=Cc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100011215241 [0,2,0,0,0,0|2,0,0]=4 11299 B19R2.883 C=Cc1cccc(c1)SCC(O)c2ccccc2 62a_100011215241_100000185958 [0,2,0,0,0,0|2,0,0]=4 11300 B19R2.883 C=Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011215241_100011933945 [0,2,0,0,0,0|2,0,0]=4 11301 B19R2.883 C=Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215241 [0,2,0,0,0,0|2,0,0]=4 11302 B19R2.883 CC(CNc1cc(ccn1)C#N)c2ccccc2 27a_100000701038_100011291639 [0,2,0,0,0,0|1,0,0]=3 11303 B19R2.883 CC(CNc1cc(ncn1)C#N)c2ccccc2 27a_100000701038_100000092509 [0,2,0,0,0,0|2,0,0]=4 11304 B19R2.883 CC(CNc1cc(ncn1)CO)c2ccccc2 27a_100000701038_100000731546 [0,2,0,0,0,0|2,0,0]=4 11305 B19R2.883 CC(CNc1cc(ncn1)NN)c2ccccc2 27a_100000701038_100000242035 [0,2,0,0,0,0|2,0,0]=4 11306 B19R2.883 CC(CNc1cccc(c1)C#N)c2ccccc2 34a_100000210922_100000756946 [0,2,0,0,0,0|2,0,0]=4 11307 B19R2.883 CC(CNc1cccc(c1)C#N)c2ccccc2 7a_100000210922_100000756946 [0,2,0,0,0,0|2,0,0]=4 11308 B19R2.883 CC(CNc1cccc(c1)CF)c2ccccc2 2230a_100000126320_100000756946 [0,2,0,0,0,0|2,0,0]=4 11309 B19R2.883 CC(CNc1cccc(c1)CF)c2ccccc2 34a_100000126320_100000756946 [0,2,0,0,0,0|2,0,0]=4 11310 B19R2.883 CC(CNc1cccc(c1)CF)c2ccccc2 7a_100000126320_100000756946 [0,2,0,0,0,0|2,0,0]=4 11311 B19R2.883 CC(CNc1cccc(c1)CO)c2ccccc2 2230a_100000211919_100000756946 [0,2,0,0,0,0|2,0,0]=4 11312 B19R2.883 CC(CNc1cccc(c1)CO)c2ccccc2 34a_100000211919_100000756946 [0,2,0,0,0,0|2,0,0]=4 11313 B19R2.883 CC(CNc1cccc(n1)C#N)c2ccccc2 27a_100000701038_100011934037 [0,2,0,0,0,0|1,0,0]=3 11314 B19R2.883 CC(CNc1ccnc(n1)C#N)c2ccccc2 27a_100000701038_100000092507 [0,2,0,0,0,0|2,0,0]=4 11315 B19R2.883 CC(CNc1cncc(n1)C#N)c2ccccc2 27a_100000701038_100009817212 [0,2,0,0,0,0|2,0,0]=4 11316 B19R2.883 CC(CNc1cncc(n1)CO)c2ccccc2 27a_100000701038_100009853123 [0,2,0,0,0,0|2,0,0]=4 11317 B19R2.883 CC(CNc1nccc(n1)C#N)c2ccccc2 27a_100000701038_100000066186 [0,2,0,0,0,0|2,0,0]=4 11318 B19R2.883 CC(COc1cc(ccn1)CN)c2ccccc2 34a_100000748557_100000756946 [0,2,0,0,0,0|2,0,0]=4 11319 B19R2.883 CC(CSc1cc(ccn1)C#N)c2ccccc2 62a_100000756946_100011291639 [0,2,0,0,0,0|2,0,0]=4 11320 B19R2.883 CC(CSc1cc(ccn1)C=O)c2ccccc2 62a_100000756946_100011290808 [0,2,0,0,0,0|2,0,0]=4 11321 B19R2.883 CC(CSc1cc(ccn1)C=O)c2ccccc2 62a_100011290808_100000756946 [0,2,0,0,0,0|2,0,0]=4 11322 B19R2.883 CC(CSc1cc(ccn1)CN)c2ccccc2 62a_100000756946_100025757509 [0,2,0,0,0,0|2,0,0]=4 11323 B19R2.883 CC(CSc1cc(ccn1)CN)c2ccccc2 62a_100025757509_100000756946 [0,2,0,0,0,0|2,0,0]=4 11324 B19R2.883 CC(CSc1cc(ccn1)CO)c2ccccc2 62a_100000756946_100009814636 [0,2,0,0,0,0|2,0,0]=4 11325 B19R2.883 CC(CSc1cc(ccn1)CO)c2ccccc2 62a_100009814636_100000756946 [0,2,0,0,0,0|2,0,0]=4 11326 B19R2.883 CC(CSc1cc(ccn1)NN)c2ccccc2 62a_100000089018_100000756946 [0,2,0,0,0,0|2,0,0]=4 11327 B19R2.883 CC(CSc1cc(ccn1)NN)c2ccccc2 62a_100000756946_100000089018 [0,2,0,0,0,0|2,0,0]=4 11328 B19R2.883 CC(CSc1cccc(n1)C#N)c2ccccc2 62a_100000756946_100011934037 [0,2,0,0,0,0|2,0,0]=4 11329 B19R2.883 CC(CSc1cccc(n1)C=O)c2ccccc2 62a_100000688028_100000756946 [0,2,0,0,0,0|2,0,0]=4 11330 B19R2.883 CC(CSc1cccc(n1)C=O)c2ccccc2 62a_100000756946_100000688028 [0,2,0,0,0,0|2,0,0]=4 11331 B19R2.883 CC(CSc1cccc(n1)CN)c2ccccc2 62a_100000756946_100016990191 [0,2,0,0,0,0|2,0,0]=4 11332 B19R2.883 CC(CSc1cccc(n1)CN)c2ccccc2 62a_100016990191_100000756946 [0,2,0,0,0,0|2,0,0]=4 11333 B19R2.883 CC(CSc1cccc(n1)CO)c2ccccc2 62a_100000694195_100000756946 [0,2,0,0,0,0|2,0,0]=4 11334 B19R2.883 CC(CSc1cccc(n1)CO)c2ccccc2 62a_100000756946_100000694195 [0,2,0,0,0,0|2,0,0]=4 11335 B19R2.883 CC(CSc1cccc(n1)NN)c2ccccc2 62a_100000756946_100009817029 [0,2,0,0,0,0|2,0,0]=4 11336 B19R2.883 CC(CSc1cccc(n1)NN)c2ccccc2 62a_100009817029_100000756946 [0,2,0,0,0,0|2,0,0]=4 11337 B19R2.883 CCc1cc(ccn1)NCC(O)c2ccccc2 27a_100000210709_100009820011 [0,2,0,0,0,0|2,0,0]=4 11338 B19R2.883 CCc1cc(ncn1)NCC(C)c2ccccc2 27a_100000701038_100000744278 [0,2,0,0,0,0|2,0,0]=4 11339 B19R2.883 CCc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000744278 [0,2,0,0,0,0|1,0,0]=3 11340 B19R2.883 CCc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000744278 [0,2,0,0,0,0|2,0,0]=4 11341 B19R2.883 CCc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000744278 [0,2,0,0,0,0|2,0,0]=4 11342 B19R2.883 CCc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000744278 [0,2,0,0,0,0|2,0,0]=4 11343 B19R2.883 CCc1cc(ncn1)SCC(O)c2ccccc2 62a_100000744278_100000185958 [0,2,0,0,0,0|2,0,0]=4 11344 B19R2.883 CCc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000744278_100011933945 [0,2,0,0,0,0|2,0,0]=4 11345 B19R2.883 CCc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000744278 [0,2,0,0,0,0|2,0,0]=4 11346 B19R2.883 CCc1cccc(c1)NCC(C)c2ccccc2 2230a_100000211250_100000756946 [0,2,0,0,0,0|2,0,0]=4 11347 B19R2.883 CCc1cccc(c1)NCC(C)c2ccccc2 34a_100000211250_100000756946 [0,2,0,0,0,0|2,0,0]=4 11348 B19R2.883 CCc1cccc(c1)NCC(C)c2ccccc2 7a_100000211250_100000756946 [0,2,0,0,0,0|2,0,0]=4 11349 B19R2.883 CCc1cccc(c1)NCC(O)c2ccccc2 2230a_100000211250_100000185958 [0,2,0,0,0,0|1,0,0]=3 11350 B19R2.883 CCc1cccc(c1)NCC(O)c2ccccc2 34a_100000211250_100000185958 [0,2,0,0,0,0|1,0,0]=3 11351 B19R2.883 CCc1cccc(c1)NCC(O)c2ccccc2 7a_100000211250_100000185958 [0,2,0,0,0,0|1,0,0]=3 11352 B19R2.883 CCc1cccc(c1)NC[C@@H](O)c2ccccc2 2230a_100000211250_100011933945 [0,2,0,0,0,0|1,0,0]=3 11353 B19R2.883 CCc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000211250_100011933945 [0,2,0,0,0,0|1,0,0]=3 11354 B19R2.883 CCc1cccc(c1)NC[C@@H](O)c2ccccc2 7a_100000211250_100011933945 [0,2,0,0,0,0|1,0,0]=3 11355 B19R2.883 CCc1cccc(c1)OCC(O)c2ccccc2 34a_100000211550_100000185958 [0,2,0,0,0,0|2,0,0]=4 11356 B19R2.883 CCc1cccc(c1)OCC(O)c2ccccc2 7a_100000211550_100000185958 [0,2,0,0,0,0|2,0,0]=4 11357 B19R2.883 CCc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000211550_100011933945 [0,2,0,0,0,0|2,0,0]=4 11358 B19R2.883 CCc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100000211550_100011933945 [0,2,0,0,0,0|2,0,0]=4 11359 B19R2.883 CCc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100011263222 [0,2,0,0,0,0|2,0,0]=4 11360 B19R2.883 CCc1cccc(c1)SCC(O)c2ccccc2 62a_100011263222_100000185958 [0,2,0,0,0,0|2,0,0]=4 11361 B19R2.883 CCc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011263222_100011933945 [0,2,0,0,0,0|2,0,0]=4 11362 B19R2.883 CCc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011263222 [0,2,0,0,0,0|2,0,0]=4 11363 B19R2.883 CCc1cccc(n1)SCC(C)c2ccccc2 62a_100000756946_100009856026 [0,2,0,0,0,0|2,0,0]=4 11364 B19R2.883 CCc1cccc(n1)SCC(C)c2ccccc2 62a_100009856026_100000756946 [0,2,0,0,0,0|2,0,0]=4 11365 B19R2.883 CCc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100009856026 [0,2,0,0,0,0|1,0,0]=3 11366 B19R2.883 CCc1cccc(n1)SCC(O)c2ccccc2 62a_100009856026_100000185958 [0,2,0,0,0,0|1,0,0]=3 11367 B19R2.883 CCc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100009856026_100011933945 [0,2,0,0,0,0|1,0,0]=3 11368 B19R2.883 CCc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009856026 [0,2,0,0,0,0|1,0,0]=3 11369 B19R2.883 CCc1ccnc(c1)NCC(C)c2ccccc2 27a_100000701038_100009817561 [0,2,0,0,0,0|1,0,0]=3 11370 B19R2.883 CCc1ccnc(c1)NCC(O)c2ccccc2 27a_100000210709_100009817561 [0,2,0,0,0,0|0,0,0]=2 11371 B19R2.883 CCc1ccnc(c1)NCC(O)c2ccccn2 27a_100000691469_100009817561 [0,2,0,0,0,0|1,0,0]=3 11372 B19R2.883 CCc1ccnc(c1)NCC(O)c2cccnc2 27a_100020605170_100009817561 [0,2,0,0,0,0|1,0,0]=3 11373 B19R2.883 CCc1ccnc(c1)SCC(C)c2ccccc2 62a_100000756946_100009817561 [0,2,0,0,0,0|2,0,0]=4 11374 B19R2.883 CCc1ccnc(c1)SCC(C)c2ccccc2 62a_100009817561_100000756946 [0,2,0,0,0,0|2,0,0]=4 11375 B19R2.883 CCc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100009817561 [0,2,0,0,0,0|1,0,0]=3 11376 B19R2.883 CCc1ccnc(c1)SCC(O)c2ccccc2 62a_100009817561_100000185958 [0,2,0,0,0,0|1,0,0]=3 11377 B19R2.883 CCc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100009817561_100011933945 [0,2,0,0,0,0|1,0,0]=3 11378 B19R2.883 CCc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009817561 [0,2,0,0,0,0|1,0,0]=3 11379 B19R2.883 CCc1ccnc(n1)NCC(C)c2ccccc2 27a_100000701038_100000100215 [0,2,0,0,0,0|2,0,0]=4 11380 B19R2.883 CCc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100000100215 [0,2,0,0,0,0|1,0,0]=3 11381 B19R2.883 CCc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100000100215 [0,2,0,0,0,0|2,0,0]=4 11382 B19R2.883 CCc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100000100215 [0,2,0,0,0,0|2,0,0]=4 11383 B19R2.883 CCc1ccnc(n1)SCC(O)c2ccccc2 62a_100000100215_100000185958 [0,2,0,0,0,0|2,0,0]=4 11384 B19R2.883 CCc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100000100215 [0,2,0,0,0,0|2,0,0]=4 11385 B19R2.883 CCc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100000100215_100011933945 [0,2,0,0,0,0|2,0,0]=4 11386 B19R2.883 CCc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000100215 [0,2,0,0,0,0|2,0,0]=4 11387 B19R2.883 CNc1cc(ncn1)NCC(C)c2ccccc2 27a_100000701038_100000756605 [0,2,0,0,0,0|2,0,0]=4 11388 B19R2.883 CNc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000756605 [0,2,0,0,0,0|1,0,0]=3 11389 B19R2.883 CNc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000756605 [0,2,0,0,0,0|2,0,0]=4 11390 B19R2.883 CNc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000756605 [0,2,0,0,0,0|2,0,0]=4 11391 B19R2.883 CNc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000756605 [0,2,0,0,0,0|2,0,0]=4 11392 B19R2.883 CNc1cc(ncn1)SCC(O)c2ccccc2 62a_100000756605_100000185958 [0,2,0,0,0,0|2,0,0]=4 11393 B19R2.883 CNc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000756605_100011933945 [0,2,0,0,0,0|2,0,0]=4 11394 B19R2.883 CNc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000756605 [0,2,0,0,0,0|2,0,0]=4 11395 B19R2.883 CNc1cccc(c1)OCC(O)c2ccccc2 34a_100000756613_100000185958 [0,2,0,0,0,0|2,0,0]=4 11396 B19R2.883 CNc1cccc(c1)OCC(O)c2ccccc2 7a_100000756613_100000185958 [0,2,0,0,0,0|2,0,0]=4 11397 B19R2.883 CNc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000756613_100011933945 [0,2,0,0,0,0|2,0,0]=4 11398 B19R2.883 CNc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100000756613_100011933945 [0,2,0,0,0,0|2,0,0]=4 11399 B19R2.883 CNc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000219648 [0,2,0,0,0,0|2,0,0]=4 11400 B19R2.883 CNc1cccc(c1)SCC(O)c2ccccc2 62a_100000219648_100000185958 [0,2,0,0,0,0|2,0,0]=4 11401 B19R2.883 CNc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100000219648_100011933945 [0,2,0,0,0,0|2,0,0]=4 11402 B19R2.883 CNc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000219648 [0,2,0,0,0,0|2,0,0]=4 11403 B19R2.883 CNc1cccc(n1)SCC(C)c2ccccc2 62a_100000703281_100000756946 [0,2,0,0,0,0|2,0,0]=4 11404 B19R2.883 CNc1cccc(n1)SCC(C)c2ccccc2 62a_100000756946_100000703281 [0,2,0,0,0,0|2,0,0]=4 11405 B19R2.883 CNc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000703281 [0,2,0,0,0,0|1,0,0]=3 11406 B19R2.883 CNc1cccc(n1)SCC(O)c2ccccc2 62a_100000703281_100000185958 [0,2,0,0,0,0|1,0,0]=3 11407 B19R2.883 CNc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100000703281_100011933945 [0,2,0,0,0,0|1,0,0]=3 11408 B19R2.883 CNc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000703281 [0,2,0,0,0,0|1,0,0]=3 11409 B19R2.883 CNc1ccnc(c1)SCC(C)c2ccccc2 62a_100000756946_100009869472 [0,2,0,0,0,0|2,0,0]=4 11410 B19R2.883 CNc1ccnc(c1)SCC(C)c2ccccc2 62a_100009869472_100000756946 [0,2,0,0,0,0|2,0,0]=4 11411 B19R2.883 CNc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100009869472 [0,2,0,0,0,0|1,0,0]=3 11412 B19R2.883 CNc1ccnc(c1)SCC(O)c2ccccc2 62a_100009869472_100000185958 [0,2,0,0,0,0|1,0,0]=3 11413 B19R2.883 CNc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100009869472_100011933945 [0,2,0,0,0,0|1,0,0]=3 11414 B19R2.883 CNc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009869472 [0,2,0,0,0,0|1,0,0]=3 11415 B19R2.883 CNc1ccnc(n1)NCC(C)c2ccccc2 27a_100000701038_100011649947 [0,2,0,0,0,0|2,0,0]=4 11416 B19R2.883 CNc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100011649947 [0,2,0,0,0,0|1,0,0]=3 11417 B19R2.883 CNc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100011649947 [0,2,0,0,0,0|2,0,0]=4 11418 B19R2.883 CNc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100011649947 [0,2,0,0,0,0|2,0,0]=4 11419 B19R2.883 CNc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100011649947 [0,2,0,0,0,0|2,0,0]=4 11420 B19R2.883 CNc1ccnc(n1)SCC(O)c2ccccc2 62a_100011649947_100000185958 [0,2,0,0,0,0|2,0,0]=4 11421 B19R2.883 CNc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011649947_100011933945 [0,2,0,0,0,0|2,0,0]=4 11422 B19R2.883 CNc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011649947 [0,2,0,0,0,0|2,0,0]=4 11423 B19R2.883 CNc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100011529438 [0,2,0,0,0,0|2,0,0]=4 11424 B19R2.883 CNc1cncc(n1)SCC(O)c2ccccc2 62a_100011529438_100000185958 [0,2,0,0,0,0|2,0,0]=4 11425 B19R2.883 CNc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011529438_100011933945 [0,2,0,0,0,0|2,0,0]=4 11426 B19R2.883 CNc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011529438 [0,2,0,0,0,0|2,0,0]=4 11427 B19R2.883 CNc1nccc(n1)NCC(C)c2ccccc2 27a_100000701038_100012000420 [0,2,0,0,0,0|2,0,0]=4 11428 B19R2.883 CNc1nccc(n1)NCC(O)c2ccccc2 27a_100000210709_100012000420 [0,2,0,0,0,0|1,0,0]=3 11429 B19R2.883 CNc1nccc(n1)NCC(O)c2ccccn2 27a_100000691469_100012000420 [0,2,0,0,0,0|2,0,0]=4 11430 B19R2.883 CNc1nccc(n1)NCC(O)c2cccnc2 27a_100020605170_100012000420 [0,2,0,0,0,0|2,0,0]=4 11431 B19R2.883 CNc1nccc(n1)SCC(O)c2ccccc2 62a_100000185958_100012000420 [0,2,0,0,0,0|2,0,0]=4 11432 B19R2.883 CNc1nccc(n1)SCC(O)c2ccccc2 62a_100012000420_100000185958 [0,2,0,0,0,0|2,0,0]=4 11433 B19R2.883 CNc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100012000420 [0,2,0,0,0,0|2,0,0]=4 11434 B19R2.883 CNc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100012000420_100011933945 [0,2,0,0,0,0|2,0,0]=4 11435 B19R2.883 COc1cc(ncn1)NCC(C)c2ccccc2 27a_100000701038_100000049997 [0,2,0,0,0,0|2,0,0]=4 11436 B19R2.883 COc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000049997 [0,2,0,0,0,0|1,0,0]=3 11437 B19R2.883 COc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000049997 [0,2,0,0,0,0|2,0,0]=4 11438 B19R2.883 COc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000049997 [0,2,0,0,0,0|2,0,0]=4 11439 B19R2.883 COc1cc(ncn1)SCC(O)c2ccccc2 62a_100000049997_100000185958 [0,2,0,0,0,0|2,0,0]=4 11440 B19R2.883 COc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000049997 [0,2,0,0,0,0|2,0,0]=4 11441 B19R2.883 COc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000049997_100011933945 [0,2,0,0,0,0|2,0,0]=4 11442 B19R2.883 COc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000049997 [0,2,0,0,0,0|2,0,0]=4 11443 B19R2.883 COc1cccc(c1)NCC(C)c2ccccc2 34a_100000210024_100000756946 [0,2,0,0,0,0|2,0,0]=4 11444 B19R2.883 COc1cccc(c1)NCC(O)c2ccccc2 34a_100000210024_100000185958 [0,2,0,0,0,0|1,0,0]=3 11445 B19R2.883 COc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000210024_100011933945 [0,2,0,0,0,0|1,0,0]=3 11446 B19R2.883 COc1cccc(c1)OCC(O)c2ccccc2 34a_100000211255_100000185958 [0,2,0,0,0,0|2,0,0]=4 11447 B19R2.883 COc1cccc(c1)OCC(O)c2ccccc2 7a_100000211255_100000185958 [0,2,0,0,0,0|2,0,0]=4 11448 B19R2.883 COc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000211255_100011933945 [0,2,0,0,0,0|2,0,0]=4 11449 B19R2.883 COc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100000211255_100011933945 [0,2,0,0,0,0|2,0,0]=4 11450 B19R2.883 COc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000170001 [0,2,0,0,0,0|2,0,0]=4 11451 B19R2.883 COc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000170001 [0,2,0,0,0,0|2,0,0]=4 11452 B19R2.883 COc1cccc(n1)SCC(C)c2ccccc2 62a_100000756946_100000760917 [0,2,0,0,0,0|2,0,0]=4 11453 B19R2.883 COc1cccc(n1)SCC(C)c2ccccc2 62a_100000760917_100000756946 [0,2,0,0,0,0|2,0,0]=4 11454 B19R2.883 COc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000760917 [0,2,0,0,0,0|1,0,0]=3 11455 B19R2.883 COc1cccc(n1)SCC(O)c2ccccc2 62a_100000760917_100000185958 [0,2,0,0,0,0|1,0,0]=3 11456 B19R2.883 COc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100000760917_100011933945 [0,2,0,0,0,0|1,0,0]=3 11457 B19R2.883 COc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000760917 [0,2,0,0,0,0|1,0,0]=3 11458 B19R2.883 COc1ccnc(c1)SCC(C)c2ccccc2 62a_100000756946_100011216251 [0,2,0,0,0,0|2,0,0]=4 11459 B19R2.883 COc1ccnc(c1)SCC(C)c2ccccc2 62a_100009817693_100000756946 [0,2,0,0,0,0|2,0,0]=4 11460 B19R2.883 COc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100011216251 [0,2,0,0,0,0|1,0,0]=3 11461 B19R2.883 COc1ccnc(c1)SCC(O)c2ccccc2 62a_100009817693_100000185958 [0,2,0,0,0,0|1,0,0]=3 11462 B19R2.883 COc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100009817693_100011933945 [0,2,0,0,0,0|1,0,0]=3 11463 B19R2.883 COc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011216251 [0,2,0,0,0,0|1,0,0]=3 11464 B19R2.883 COc1ccnc(n1)NCC(C)c2ccccc2 27a_100000701038_100000182009 [0,2,0,0,0,0|2,0,0]=4 11465 B19R2.883 COc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100000182009 [0,2,0,0,0,0|1,0,0]=3 11466 B19R2.883 COc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100000182009 [0,2,0,0,0,0|2,0,0]=4 11467 B19R2.883 COc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100000182009 [0,2,0,0,0,0|2,0,0]=4 11468 B19R2.883 COc1ccnc(n1)SCC(O)c2ccccc2 62a_100000182009_100000185958 [0,2,0,0,0,0|2,0,0]=4 11469 B19R2.883 COc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100000182009 [0,2,0,0,0,0|2,0,0]=4 11470 B19R2.883 COc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100000182009_100011933945 [0,2,0,0,0,0|2,0,0]=4 11471 B19R2.883 COc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000182009 [0,2,0,0,0,0|2,0,0]=4 11472 B19R2.883 COc1cncc(n1)NCC(C)c2ccccc2 27a_100000701038_100009819700 [0,2,0,0,0,0|2,0,0]=4 11473 B19R2.883 COc1cncc(n1)NCC(O)c2ccccc2 27a_100000210709_100009819700 [0,2,0,0,0,0|1,0,0]=3 11474 B19R2.883 COc1cncc(n1)NCC(O)c2ccccn2 27a_100000691469_100009819700 [0,2,0,0,0,0|2,0,0]=4 11475 B19R2.883 COc1cncc(n1)NCC(O)c2cccnc2 27a_100020605170_100009819700 [0,2,0,0,0,0|2,0,0]=4 11476 B19R2.883 COc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100000756030 [0,2,0,0,0,0|2,0,0]=4 11477 B19R2.883 COc1cncc(n1)SCC(O)c2ccccc2 62a_100000756030_100000185958 [0,2,0,0,0,0|2,0,0]=4 11478 B19R2.883 COc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100000756030_100011933945 [0,2,0,0,0,0|2,0,0]=4 11479 B19R2.883 COc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000756030 [0,2,0,0,0,0|2,0,0]=4 11480 B19R2.883 COc1cnnc(c1)SCC(O)c2ccccc2 62a_100000185958_100000087634 [0,2,0,0,0,0|2,0,0]=4 11481 B19R2.883 COc1cnnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000087634 [0,2,0,0,0,0|2,0,0]=4 11482 B19R2.883 COc1nccc(n1)NCC(C)c2ccccc2 27a_100000701038_100000069072 [0,2,0,0,0,0|2,0,0]=4 11483 B19R2.883 COc1nccc(n1)NCC(O)c2ccccc2 27a_100000210709_100000069072 [0,2,0,0,0,0|1,0,0]=3 11484 B19R2.883 COc1nccc(n1)NCC(O)c2ccccn2 27a_100000691469_100000069072 [0,2,0,0,0,0|2,0,0]=4 11485 B19R2.883 COc1nccc(n1)NCC(O)c2cccnc2 27a_100020605170_100000069072 [0,2,0,0,0,0|2,0,0]=4 11486 B19R2.883 COc1nccc(n1)SCC(O)c2ccccc2 62a_100000069072_100000185958 [0,2,0,0,0,0|2,0,0]=4 11487 B19R2.883 COc1nccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000069072 [0,2,0,0,0,0|2,0,0]=4 11488 B19R2.883 COc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100000069072_100011933945 [0,2,0,0,0,0|2,0,0]=4 11489 B19R2.883 COc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000069072 [0,2,0,0,0,0|2,0,0]=4 11490 B19R2.883 COc1ncnc(n1)NCC(O)c2ccccc2 27a_100000210709_200010750123 [0,2,0,0,0,0|2,0,0]=4 11491 B19R2.883 CSc1cc(ncn1)NCC(C)c2ccccc2 27a_100000701038_100011443430 [0,2,0,0,0,0|2,0,0]=4 11492 B19R2.883 CSc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100011443430 [0,2,0,0,0,0|1,0,0]=3 11493 B19R2.883 CSc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100011443430 [0,2,0,0,0,0|2,0,0]=4 11494 B19R2.883 CSc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100011443430 [0,2,0,0,0,0|2,0,0]=4 11495 B19R2.883 CSc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100011443430 [0,2,0,0,0,0|2,0,0]=4 11496 B19R2.883 CSc1cc(ncn1)SCC(O)c2ccccc2 62a_100011443430_100000185958 [0,2,0,0,0,0|2,0,0]=4 11497 B19R2.883 CSc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011443430_100011933945 [0,2,0,0,0,0|2,0,0]=4 11498 B19R2.883 CSc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011443430 [0,2,0,0,0,0|2,0,0]=4 11499 B19R2.883 CSc1cccc(c1)NCC(C)c2ccccc2 2230a_100000210049_100000756946 [0,2,0,0,0,0|2,0,0]=4 11500 B19R2.883 CSc1cccc(c1)NCC(C)c2ccccc2 34a_100000210049_100000756946 [0,2,0,0,0,0|2,0,0]=4 11501 B19R2.883 CSc1cccc(c1)NCC(O)c2ccccc2 2230a_100000210049_100000185958 [0,2,0,0,0,0|1,0,0]=3 11502 B19R2.883 CSc1cccc(c1)NCC(O)c2ccccc2 34a_100000210049_100000185958 [0,2,0,0,0,0|1,0,0]=3 11503 B19R2.883 CSc1cccc(c1)NC[C@@H](O)c2ccccc2 2230a_100000210049_100011933945 [0,2,0,0,0,0|1,0,0]=3 11504 B19R2.883 CSc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000210049_100011933945 [0,2,0,0,0,0|1,0,0]=3 11505 B19R2.883 CSc1cccc(c1)OCC(O)c2ccccc2 34a_100011265683_100000185958 [0,2,0,0,0,0|2,0,0]=4 11506 B19R2.883 CSc1cccc(c1)OCC(O)c2ccccc2 7a_100011265683_100000185958 [0,2,0,0,0,0|2,0,0]=4 11507 B19R2.883 CSc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100011265683_100011933945 [0,2,0,0,0,0|2,0,0]=4 11508 B19R2.883 CSc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100011265683_100011933945 [0,2,0,0,0,0|2,0,0]=4 11509 B19R2.883 CSc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100011215954 [0,2,0,0,0,0|2,0,0]=4 11510 B19R2.883 CSc1cccc(c1)SCC(O)c2ccccc2 62a_100011215954_100000185958 [0,2,0,0,0,0|2,0,0]=4 11511 B19R2.883 CSc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011215954_100011933945 [0,2,0,0,0,0|2,0,0]=4 11512 B19R2.883 CSc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011215954 [0,2,0,0,0,0|2,0,0]=4 11513 B19R2.883 CSc1cccc(n1)SCC(C)c2ccccc2 62a_100000756946_100011960944 [0,2,0,0,0,0|2,0,0]=4 11514 B19R2.883 CSc1cccc(n1)SCC(C)c2ccccc2 62a_100011960944_100000756946 [0,2,0,0,0,0|2,0,0]=4 11515 B19R2.883 CSc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100011960944 [0,2,0,0,0,0|1,0,0]=3 11516 B19R2.883 CSc1cccc(n1)SCC(O)c2ccccc2 62a_100011960944_100000185958 [0,2,0,0,0,0|1,0,0]=3 11517 B19R2.883 CSc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011960944 [0,2,0,0,0,0|1,0,0]=3 11518 B19R2.883 CSc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011960944_100011933945 [0,2,0,0,0,0|1,0,0]=3 11519 B19R2.883 CSc1ccnc(c1)SCC(C)c2ccccc2 62a_100000756946_100010883326 [0,2,0,0,0,0|2,0,0]=4 11520 B19R2.883 CSc1ccnc(c1)SCC(C)c2ccccc2 62a_100010883326_100000756946 [0,2,0,0,0,0|2,0,0]=4 11521 B19R2.883 CSc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100010883326 [0,2,0,0,0,0|1,0,0]=3 11522 B19R2.883 CSc1ccnc(c1)SCC(O)c2ccccc2 62a_100010883326_100000185958 [0,2,0,0,0,0|1,0,0]=3 11523 B19R2.883 CSc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100010883326_100011933945 [0,2,0,0,0,0|1,0,0]=3 11524 B19R2.883 CSc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100010883326 [0,2,0,0,0,0|1,0,0]=3 11525 B19R2.883 CSc1ccnc(n1)NCC(C)c2ccccc2 27a_100000701038_100011650323 [0,2,0,0,0,0|2,0,0]=4 11526 B19R2.883 CSc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100011650323 [0,2,0,0,0,0|1,0,0]=3 11527 B19R2.883 CSc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100011650323 [0,2,0,0,0,0|2,0,0]=4 11528 B19R2.883 CSc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100011650323 [0,2,0,0,0,0|2,0,0]=4 11529 B19R2.883 CSc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100011650323 [0,2,0,0,0,0|2,0,0]=4 11530 B19R2.883 CSc1ccnc(n1)SCC(O)c2ccccc2 62a_100011650323_100000185958 [0,2,0,0,0,0|2,0,0]=4 11531 B19R2.883 CSc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011650323_100011933945 [0,2,0,0,0,0|2,0,0]=4 11532 B19R2.883 CSc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011650323 [0,2,0,0,0,0|2,0,0]=4 11533 B19R2.883 CSc1nccc(n1)NCC(C)c2ccccc2 27a_100000701038_100000032126 [0,2,0,0,0,0|2,0,0]=4 11534 B19R2.883 CSc1nccc(n1)NCC(O)c2ccccc2 27a_100000210709_100000032126 [0,2,0,0,0,0|1,0,0]=3 11535 B19R2.883 CSc1nccc(n1)NCC(O)c2ccccn2 27a_100000691469_100000032126 [0,2,0,0,0,0|2,0,0]=4 11536 B19R2.883 CSc1nccc(n1)NCC(O)c2cccnc2 27a_100020605170_100000032126 [0,2,0,0,0,0|2,0,0]=4 11537 B19R2.883 CSc1nccc(n1)SCC(O)c2ccccc2 62a_100000032126_100000185958 [0,2,0,0,0,0|2,0,0]=4 11538 B19R2.883 CSc1nccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000032126 [0,2,0,0,0,0|2,0,0]=4 11539 B19R2.883 CSc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100000032126_100011933945 [0,2,0,0,0,0|2,0,0]=4 11540 B19R2.883 CSc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000032126 [0,2,0,0,0,0|2,0,0]=4 11541 B19R2.883 N#Cc1cc(ccn1)NCC(O)c2ccccc2 27a_100000210709_100000685610 [0,2,0,0,0,0|2,0,0]=4 11542 B19R2.883 N#Cc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000092509 [0,2,0,0,0,0|1,0,0]=3 11543 B19R2.883 N#Cc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000092509 [0,2,0,0,0,0|2,0,0]=4 11544 B19R2.883 N#Cc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000092509 [0,2,0,0,0,0|2,0,0]=4 11545 B19R2.883 N#Cc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000092509 [0,2,0,0,0,0|2,0,0]=4 11546 B19R2.883 N#Cc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000092509 [0,2,0,0,0,0|2,0,0]=4 11547 B19R2.883 N#Cc1cccc(c1)NCC(O)c2ccccc2 34a_100000210922_100000185958 [0,2,0,0,0,0|1,0,0]=3 11548 B19R2.883 N#Cc1cccc(c1)NCC(O)c2ccccc2 7a_100000210922_100000185958 [0,2,0,0,0,0|1,0,0]=3 11549 B19R2.883 N#Cc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000210922_100011933945 [0,2,0,0,0,0|1,0,0]=3 11550 B19R2.883 N#Cc1cccc(c1)NC[C@@H](O)c2ccccc2 7a_100000210922_100011933945 [0,2,0,0,0,0|1,0,0]=3 11551 B19R2.883 N#Cc1cccc(c1)OCC(O)c2ccccc2 34a_100000184713_100000185958 [0,2,0,0,0,0|2,0,0]=4 11552 B19R2.883 N#Cc1cccc(c1)OCC(O)c2ccccc2 7a_100000184713_100000185958 [0,2,0,0,0,0|2,0,0]=4 11553 B19R2.883 N#Cc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000184713_100011933945 [0,2,0,0,0,0|2,0,0]=4 11554 B19R2.883 N#Cc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100000184713_100011933945 [0,2,0,0,0,0|2,0,0]=4 11555 B19R2.883 N#Cc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000189340 [0,2,0,0,0,0|2,0,0]=4 11556 B19R2.883 N#Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000189340 [0,2,0,0,0,0|2,0,0]=4 11557 B19R2.883 N#Cc1cccc(n1)NCC(O)c2ccccc2 27a_100000210709_100011934037 [0,2,0,0,0,0|0,0,0]=2 11558 B19R2.883 N#Cc1cccc(n1)NCC(O)c2ccccn2 27a_100000691469_100011934037 [0,2,0,0,0,0|1,0,0]=3 11559 B19R2.883 N#Cc1cccc(n1)NCC(O)c2cccnc2 27a_100020605170_100011934037 [0,2,0,0,0,0|1,0,0]=3 11560 B19R2.883 N#Cc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100011934037 [0,2,0,0,0,0|1,0,0]=3 11561 B19R2.883 N#Cc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011934037 [0,2,0,0,0,0|1,0,0]=3 11562 B19R2.883 N#Cc1ccnc(c1)NCC(O)c2ccccc2 27a_100000210709_100011291639 [0,2,0,0,0,0|0,0,0]=2 11563 B19R2.883 N#Cc1ccnc(c1)NCC(O)c2ccccn2 27a_100000691469_100011291639 [0,2,0,0,0,0|1,0,0]=3 11564 B19R2.883 N#Cc1ccnc(c1)NCC(O)c2cccnc2 27a_100020605170_100011291639 [0,2,0,0,0,0|1,0,0]=3 11565 B19R2.883 N#Cc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100011291639 [0,2,0,0,0,0|1,0,0]=3 11566 B19R2.883 N#Cc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011291639 [0,2,0,0,0,0|1,0,0]=3 11567 B19R2.883 N#Cc1ccnc(n1)NCC(O)c2ccccc2 27a_100000210709_100000066186 [0,2,0,0,0,0|1,0,0]=3 11568 B19R2.883 N#Cc1ccnc(n1)NCC(O)c2ccccn2 27a_100000691469_100000066186 [0,2,0,0,0,0|2,0,0]=4 11569 B19R2.883 N#Cc1ccnc(n1)NCC(O)c2cccnc2 27a_100020605170_100000066186 [0,2,0,0,0,0|2,0,0]=4 11570 B19R2.883 N#Cc1ccnc(n1)SCC(O)c2ccccc2 62a_100000185958_100000066186 [0,2,0,0,0,0|2,0,0]=4 11571 B19R2.883 N#Cc1ccnc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000066186 [0,2,0,0,0,0|2,0,0]=4 11572 B19R2.883 N#Cc1cncc(n1)NCC(O)c2ccccc2 27a_100000210709_100009817212 [0,2,0,0,0,0|1,0,0]=3 11573 B19R2.883 N#Cc1cncc(n1)NCC(O)c2ccccn2 27a_100000691469_100009817212 [0,2,0,0,0,0|2,0,0]=4 11574 B19R2.883 N#Cc1cncc(n1)NCC(O)c2cccnc2 27a_100020605170_100009817212 [0,2,0,0,0,0|2,0,0]=4 11575 B19R2.883 N#Cc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100009817212 [0,2,0,0,0,0|2,0,0]=4 11576 B19R2.883 N#Cc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009817212 [0,2,0,0,0,0|2,0,0]=4 11577 B19R2.883 N#Cc1nccc(n1)NCC(O)c2ccccc2 27a_100000210709_100000092507 [0,2,0,0,0,0|1,0,0]=3 11578 B19R2.883 N#Cc1nccc(n1)NCC(O)c2ccccn2 27a_100000691469_100000092507 [0,2,0,0,0,0|2,0,0]=4 11579 B19R2.883 N#Cc1nccc(n1)NCC(O)c2cccnc2 27a_100020605170_100000092507 [0,2,0,0,0,0|2,0,0]=4 11580 B19R2.883 N#Cc1nccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000092507 [0,2,0,0,0,0|2,0,0]=4 11581 B19R2.883 N#Cc1nccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000092507 [0,2,0,0,0,0|2,0,0]=4 11582 B19R2.883 NCc1cccc(c1)OCC(O)c2ccccc2 34a_100000743036_100000185958 [0,2,0,0,0,0|2,0,0]=4 11583 B19R2.883 NCc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100000743036_100011933945 [0,2,0,0,0,0|2,0,0]=4 11584 B19R2.883 NCc1cccc(c1)SCC(O)c2ccccc2 62a_100000106179_100000185958 [0,2,0,0,0,0|2,0,0]=4 11585 B19R2.883 NCc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000106179 [0,2,0,0,0,0|2,0,0]=4 11586 B19R2.883 NCc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100000106179_100011933945 [0,2,0,0,0,0|2,0,0]=4 11587 B19R2.883 NCc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000106179 [0,2,0,0,0,0|2,0,0]=4 11588 B19R2.883 NCc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100016990191 [0,2,0,0,0,0|1,0,0]=3 11589 B19R2.883 NCc1cccc(n1)SCC(O)c2ccccc2 62a_100016990191_100000185958 [0,2,0,0,0,0|1,0,0]=3 11590 B19R2.883 NCc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100016990191 [0,2,0,0,0,0|1,0,0]=3 11591 B19R2.883 NCc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100016990191_100011933945 [0,2,0,0,0,0|1,0,0]=3 11592 B19R2.883 NCc1ccnc(c1)OCC(O)c2ccccc2 34a_100000748557_100000185958 [0,2,0,0,0,0|1,0,0]=3 11593 B19R2.883 NCc1ccnc(c1)OC[C@@H](O)c2ccccc2 34a_100000748557_100011933945 [0,2,0,0,0,0|1,0,0]=3 11594 B19R2.883 NCc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100025757509 [0,2,0,0,0,0|1,0,0]=3 11595 B19R2.883 NCc1ccnc(c1)SCC(O)c2ccccc2 62a_100025757509_100000185958 [0,2,0,0,0,0|1,0,0]=3 11596 B19R2.883 NCc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100025757509 [0,2,0,0,0,0|1,0,0]=3 11597 B19R2.883 NCc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100025757509_100011933945 [0,2,0,0,0,0|1,0,0]=3 11598 B19R2.883 NNc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000242035 [0,2,0,0,0,0|1,0,0]=3 11599 B19R2.883 NNc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000242035 [0,2,0,0,0,0|2,0,0]=4 11600 B19R2.883 NNc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000242035 [0,2,0,0,0,0|2,0,0]=4 11601 B19R2.883 NNc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000242035 [0,2,0,0,0,0|2,0,0]=4 11602 B19R2.883 NNc1cc(ncn1)SCC(O)c2ccccc2 62a_100000242035_100000185958 [0,2,0,0,0,0|2,0,0]=4 11603 B19R2.883 NNc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000242035_100011933945 [0,2,0,0,0,0|2,0,0]=4 11604 B19R2.883 NNc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000242035 [0,2,0,0,0,0|2,0,0]=4 11605 B19R2.883 NNc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000217339 [0,2,0,0,0,0|2,0,0]=4 11606 B19R2.883 NNc1cccc(c1)SCC(O)c2ccccc2 62a_100000217339_100000185958 [0,2,0,0,0,0|2,0,0]=4 11607 B19R2.883 NNc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100000217339_100011933945 [0,2,0,0,0,0|2,0,0]=4 11608 B19R2.883 NNc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000217339 [0,2,0,0,0,0|2,0,0]=4 11609 B19R2.883 NNc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100009817029 [0,2,0,0,0,0|1,0,0]=3 11610 B19R2.883 NNc1cccc(n1)SCC(O)c2ccccc2 62a_100009817029_100000185958 [0,2,0,0,0,0|1,0,0]=3 11611 B19R2.883 NNc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100009817029_100011933945 [0,2,0,0,0,0|1,0,0]=3 11612 B19R2.883 NNc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009817029 [0,2,0,0,0,0|1,0,0]=3 11613 B19R2.883 NNc1ccnc(c1)SCC(O)c2ccccc2 62a_100000089018_100000185958 [0,2,0,0,0,0|1,0,0]=3 11614 B19R2.883 NNc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100000089018 [0,2,0,0,0,0|1,0,0]=3 11615 B19R2.883 NNc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100000089018_100011933945 [0,2,0,0,0,0|1,0,0]=3 11616 B19R2.883 NNc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000089018 [0,2,0,0,0,0|1,0,0]=3 11617 B19R2.883 NNc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100102525095 [0,2,0,0,0,0|2,0,0]=4 11618 B19R2.883 NNc1cncc(n1)SCC(O)c2ccccc2 62a_100102525095_100000185958 [0,2,0,0,0,0|2,0,0]=4 11619 B19R2.883 NNc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100102525095 [0,2,0,0,0,0|2,0,0]=4 11620 B19R2.883 NNc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100102525095_100011933945 [0,2,0,0,0,0|2,0,0]=4 11621 B19R2.883 O=Cc1cccc(c1)SCC(O)c2ccccc2 62a_100000014684_100000185958 [0,2,0,0,0,0|2,0,0]=4 11622 B19R2.883 O=Cc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000014684 [0,2,0,0,0,0|2,0,0]=4 11623 B19R2.883 O=Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100000014684_100011933945 [0,2,0,0,0,0|2,0,0]=4 11624 B19R2.883 O=Cc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000014684 [0,2,0,0,0,0|2,0,0]=4 11625 B19R2.883 O=Cc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000688028 [0,2,0,0,0,0|1,0,0]=3 11626 B19R2.883 O=Cc1cccc(n1)SCC(O)c2ccccc2 62a_100000688028_100000185958 [0,2,0,0,0,0|1,0,0]=3 11627 B19R2.883 O=Cc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100000688028_100011933945 [0,2,0,0,0,0|1,0,0]=3 11628 B19R2.883 O=Cc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000688028 [0,2,0,0,0,0|1,0,0]=3 11629 B19R2.883 O=Cc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100011290808 [0,2,0,0,0,0|1,0,0]=3 11630 B19R2.883 O=Cc1ccnc(c1)SCC(O)c2ccccc2 62a_100011290808_100000185958 [0,2,0,0,0,0|1,0,0]=3 11631 B19R2.883 O=Cc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011290808_100011933945 [0,2,0,0,0,0|1,0,0]=3 11632 B19R2.883 O=Cc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100011290808 [0,2,0,0,0,0|1,0,0]=3 11633 B19R2.883 OC(CNc1cccc(c1)CF)c2ccccc2 2230a_100000126320_100000185958 [0,2,0,0,0,0|1,0,0]=3 11634 B19R2.883 OC(CNc1cccc(c1)CF)c2ccccc2 34a_100000126320_100000185958 [0,2,0,0,0,0|1,0,0]=3 11635 B19R2.883 OC(CNc1cccc(c1)CF)c2ccccc2 7a_100000126320_100000185958 [0,2,0,0,0,0|1,0,0]=3 11636 B19R2.883 OC(COc1cccc(c1)CBr)c2ccccc2 34a_100011660834_100000185958 [0,2,0,0,0,0|2,0,0]=4 11637 B19R2.883 OC(COc1cccc(c1)CBr)c2ccccc2 7a_100011660834_100000185958 [0,2,0,0,0,0|2,0,0]=4 11638 B19R2.883 OC(COc1cccc(c1)CCl)c2ccccc2 34a_100000084143_100000185958 [0,2,0,0,0,0|2,0,0]=4 11639 B19R2.883 OC(COc1cccc(c1)CCl)c2ccccc2 7a_100000084143_100000185958 [0,2,0,0,0,0|2,0,0]=4 11640 B19R2.883 OC(CSc1cccc(c1)CF)c2ccccc2 62a_100000185958_100010878472 [0,2,0,0,0,0|2,0,0]=4 11641 B19R2.883 OC(CSc1cccc(c1)CF)c2ccccc2 62a_100010878472_100000185958 [0,2,0,0,0,0|2,0,0]=4 11642 B19R2.883 OCc1cc(ccn1)NCC(O)c2ccccc2 27a_100000210709_100000748867 [0,2,0,0,0,0|2,0,0]=4 11643 B19R2.883 OCc1cc(ncn1)NCC(O)c2ccccc2 27a_100000210709_100000731546 [0,2,0,0,0,0|1,0,0]=3 11644 B19R2.883 OCc1cc(ncn1)NCC(O)c2ccccn2 27a_100000691469_100000731546 [0,2,0,0,0,0|2,0,0]=4 11645 B19R2.883 OCc1cc(ncn1)NCC(O)c2cccnc2 27a_100020605170_100000731546 [0,2,0,0,0,0|2,0,0]=4 11646 B19R2.883 OCc1cc(ncn1)SCC(O)c2ccccc2 62a_100000185958_100000731546 [0,2,0,0,0,0|2,0,0]=4 11647 B19R2.883 OCc1cc(ncn1)SCC(O)c2ccccc2 62a_100000731546_100000185958 [0,2,0,0,0,0|2,0,0]=4 11648 B19R2.883 OCc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100000731546_100011933945 [0,2,0,0,0,0|2,0,0]=4 11649 B19R2.883 OCc1cc(ncn1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000731546 [0,2,0,0,0,0|2,0,0]=4 11650 B19R2.883 OCc1cccc(c1)NCC(O)c2ccccc2 2230a_100000211919_100000185958 [0,2,0,0,0,0|1,0,0]=3 11651 B19R2.883 OCc1cccc(c1)NCC(O)c2ccccc2 34a_100000211919_100000185958 [0,2,0,0,0,0|1,0,0]=3 11652 B19R2.883 OCc1cccc(c1)NC[C@@H](O)c2ccccc2 2230a_100000211919_100011933945 [0,2,0,0,0,0|1,0,0]=3 11653 B19R2.883 OCc1cccc(c1)NC[C@@H](O)c2ccccc2 34a_100000211919_100011933945 [0,2,0,0,0,0|1,0,0]=3 11654 B19R2.883 OCc1cccc(c1)OCC(O)c2ccccc2 34a_100011214949_100000185958 [0,2,0,0,0,0|2,0,0]=4 11655 B19R2.883 OCc1cccc(c1)OCC(O)c2ccccc2 7a_100011214949_100000185958 [0,2,0,0,0,0|2,0,0]=4 11656 B19R2.883 OCc1cccc(c1)OC[C@@H](O)c2ccccc2 34a_100011214949_100011933945 [0,2,0,0,0,0|2,0,0]=4 11657 B19R2.883 OCc1cccc(c1)OC[C@@H](O)c2ccccc2 7a_100011214949_100011933945 [0,2,0,0,0,0|2,0,0]=4 11658 B19R2.883 OCc1cccc(c1)SCC(O)c2ccccc2 62a_100000185958_100000687537 [0,2,0,0,0,0|2,0,0]=4 11659 B19R2.883 OCc1cccc(c1)SCC(O)c2ccccc2 62a_100000687537_100000185958 [0,2,0,0,0,0|2,0,0]=4 11660 B19R2.883 OCc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100000687537_100011933945 [0,2,0,0,0,0|2,0,0]=4 11661 B19R2.883 OCc1cccc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000687537 [0,2,0,0,0,0|2,0,0]=4 11662 B19R2.883 OCc1cccc(n1)SCC(O)c2ccccc2 62a_100000185958_100000694195 [0,2,0,0,0,0|1,0,0]=3 11663 B19R2.883 OCc1cccc(n1)SCC(O)c2ccccc2 62a_100000694195_100000185958 [0,2,0,0,0,0|1,0,0]=3 11664 B19R2.883 OCc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100000694195_100011933945 [0,2,0,0,0,0|1,0,0]=3 11665 B19R2.883 OCc1cccc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000694195 [0,2,0,0,0,0|1,0,0]=3 11666 B19R2.883 OCc1ccnc(c1)SCC(O)c2ccccc2 62a_100000185958_100009814636 [0,2,0,0,0,0|1,0,0]=3 11667 B19R2.883 OCc1ccnc(c1)SCC(O)c2ccccc2 62a_100009814636_100000185958 [0,2,0,0,0,0|1,0,0]=3 11668 B19R2.883 OCc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100009814636_100011933945 [0,2,0,0,0,0|1,0,0]=3 11669 B19R2.883 OCc1ccnc(c1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009814636 [0,2,0,0,0,0|1,0,0]=3 11670 B19R2.883 OCc1cncc(n1)NCC(O)c2ccccc2 27a_100000210709_100009853123 [0,2,0,0,0,0|1,0,0]=3 11671 B19R2.883 OCc1cncc(n1)NCC(O)c2ccccn2 27a_100000691469_100009853123 [0,2,0,0,0,0|2,0,0]=4 11672 B19R2.883 OCc1cncc(n1)NCC(O)c2cccnc2 27a_100020605170_100009853123 [0,2,0,0,0,0|2,0,0]=4 11673 B19R2.883 OCc1cncc(n1)SCC(O)c2ccccc2 62a_100000185958_100009853123 [0,2,0,0,0,0|2,0,0]=4 11674 B19R2.883 OCc1cncc(n1)SCC(O)c2ccccc2 62a_100009853123_100000185958 [0,2,0,0,0,0|2,0,0]=4 11675 B19R2.883 OCc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100009853123_100011933945 [0,2,0,0,0,0|2,0,0]=4 11676 B19R2.883 OCc1cncc(n1)SC[C@@H](O)c2ccccc2 62a_100011933945_100009853123 [0,2,0,0,0,0|2,0,0]=4 11677 B19R2.883 O[C@H](CNc1cccc(c1)CF)c2ccccc2 2230a_100000126320_100011933945 [0,2,0,0,0,0|1,0,0]=3 11678 B19R2.883 O[C@H](CNc1cccc(c1)CF)c2ccccc2 34a_100000126320_100011933945 [0,2,0,0,0,0|1,0,0]=3 11679 B19R2.883 O[C@H](CNc1cccc(c1)CF)c2ccccc2 7a_100000126320_100011933945 [0,2,0,0,0,0|1,0,0]=3 11680 B19R2.883 O[C@H](COc1cccc(c1)CBr)c2ccccc2 34a_100011660834_100011933945 [0,2,0,0,0,0|2,0,0]=4 11681 B19R2.883 O[C@H](COc1cccc(c1)CBr)c2ccccc2 7a_100011660834_100011933945 [0,2,0,0,0,0|2,0,0]=4 11682 B19R2.883 O[C@H](COc1cccc(c1)CCl)c2ccccc2 34a_100000084143_100011933945 [0,2,0,0,0,0|2,0,0]=4 11683 B19R2.883 O[C@H](COc1cccc(c1)CCl)c2ccccc2 7a_100000084143_100011933945 [0,2,0,0,0,0|2,0,0]=4 11684 B19R2.883 O[C@H](CSc1cccc(c1)CF)c2ccccc2 62a_100010878472_100011933945 [0,2,0,0,0,0|2,0,0]=4 11685 B19R2.883 O[C@H](CSc1cccc(c1)CF)c2ccccc2 62a_100011933945_100010878472 [0,2,0,0,0,0|2,0,0]=4 11686 B19R2.4101 CC(CNc1cc(cc(c1)Br)F)c2ccccc2 34a_100000705686_100000756946 [0,2,0,0,0,0|2,0,0]=4 11687 B19R2.4101 CC(CNc1cc(cc(c1)Br)F)c2ccccc2 7a_100000705686_100000756946 [0,2,0,0,0,0|2,0,0]=4 11688 B19R2.4101 CC(CNc1cc(cc(c1)Cl)F)c2ccccc2 34a_100000686136_100000756946 [0,2,0,0,0,0|2,0,0]=4 11689 B19R2.4101 CC(CNc1cc(cc(c1)Cl)F)c2ccccc2 7a_100000686136_100000756946 [0,2,0,0,0,0|2,0,0]=4 11690 B19R2.4101 CC(CNc1cc(cc(c1)Cl)O)c2ccccc2 34a_100000123917_100000756946 [0,2,0,0,0,0|2,0,0]=4 11691 B19R2.4101 CC(CNc1cc(cc(c1)Cl)O)c2ccccc2 7a_100000123917_100000756946 [0,2,0,0,0,0|2,0,0]=4 11692 B19R2.4101 CC(CNc1cc(cc(c1)F)F)c2ccccc2 34a_100000233717_100000756946 [0,2,0,0,0,0|2,0,0]=4 11693 B19R2.4101 CC(CNc1cc(cc(c1)F)F)c2ccccc2 7a_100000233717_100000756946 [0,2,0,0,0,0|2,0,0]=4 11694 B19R2.4101 CC(CNc1cc(cc(c1)I)F)c2ccccc2 34a_100011356972_100000756946 [0,2,0,0,0,0|2,0,0]=4 11695 B19R2.4101 CC(CNc1cc(cc(c1)I)F)c2ccccc2 7a_100011356972_100000756946 [0,2,0,0,0,0|2,0,0]=4 11696 B19R2.4101 CC(CNc1cc(cc(c1)O)O)c2ccccc2 34a_100000043371_100000756946 [0,2,0,0,0,0|2,0,0]=4 11697 B19R2.4101 CC(CNc1cc(nc(n1)N)O)c2ccccc2 27a_100000701038_100000694715 [0,2,0,0,0,0|2,0,0]=4 11698 B19R2.4101 CC(CNc1nc(=O)cc([nH]1)N)c2ccccc2 27a_100000701038_100000101444 [0,2,0,0,0,0|2,0,0]=4 11699 B19R2.4101 CC(CSc1cc(cc(n1)O)N)c2ccccc2 62a_100000756946_200012179554 [0,2,0,0,0,0|2,0,0]=4 11700 B19R2.4101 Cc1cc(=O)cc(o1)OCC(O)c2ccccc2 34a_100016989201_100000185958 [0,2,0,0,0,0|2,0,0]=4 11701 B19R2.4101 Cc1cc(=O)cc(o1)OC[C@@H](O)c2ccccc2 34a_100016989201_100011933945 [0,2,0,0,0,0|2,0,0]=4 11702 B19R2.4101 Cc1cc(cc(=O)[nH]1)NCC(O)c2ccccc2 27a_100000210709_100009861981 [0,2,0,0,0,0|2,0,0]=4 11703 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)Br 34a_100000695972_100000756946 [0,2,0,0,0,0|2,0,0]=4 11704 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)Br 7a_100000695972_100000756946 [0,2,0,0,0,0|2,0,0]=4 11705 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)C 2230a_100000210930_100000756946 [0,2,0,0,0,0|2,0,0]=4 11706 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)C 34a_100000210930_100000756946 [0,2,0,0,0,0|2,0,0]=4 11707 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)C 7a_100000210930_100000756946 [0,2,0,0,0,0|2,0,0]=4 11708 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)Cl 2230a_100012022512_100000756946 [0,2,0,0,0,0|2,0,0]=4 11709 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)Cl 34a_100012022512_100000756946 [0,2,0,0,0,0|2,0,0]=4 11710 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)Cl 7a_100012022512_100000756946 [0,2,0,0,0,0|2,0,0]=4 11711 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)F 2230a_100000742734_100000756946 [0,2,0,0,0,0|2,0,0]=4 11712 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)F 34a_100000742734_100000756946 [0,2,0,0,0,0|2,0,0]=4 11713 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)F 7a_100000742734_100000756946 [0,2,0,0,0,0|2,0,0]=4 11714 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)O 34a_100011995906_100000756946 [0,2,0,0,0,0|2,0,0]=4 11715 B19R2.4101 Cc1cc(cc(c1)NCC(C)c2ccccc2)O 7a_100011995906_100000756946 [0,2,0,0,0,0|2,0,0]=4 11716 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)Br 34a_100000695972_100000185958 [0,2,0,0,0,0|1,0,0]=3 11717 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)Br 7a_100000695972_100000185958 [0,2,0,0,0,0|1,0,0]=3 11718 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)C 2230a_100000210930_100000185958 [0,2,0,0,0,0|1,0,0]=3 11719 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)C 34a_100000210930_100000185958 [0,2,0,0,0,0|1,0,0]=3 11720 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)C 7a_100000210930_100000185958 [0,2,0,0,0,0|1,0,0]=3 11721 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)Cl 2230a_100012022512_100000185958 [0,2,0,0,0,0|1,0,0]=3 11722 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)Cl 34a_100012022512_100000185958 [0,2,0,0,0,0|1,0,0]=3 11723 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)Cl 7a_100012022512_100000185958 [0,2,0,0,0,0|1,0,0]=3 11724 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)F 2230a_100000742734_100000185958 [0,2,0,0,0,0|1,0,0]=3 11725 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)F 34a_100000742734_100000185958 [0,2,0,0,0,0|1,0,0]=3 11726 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)F 7a_100000742734_100000185958 [0,2,0,0,0,0|1,0,0]=3 11727 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)O 34a_100011995906_100000185958 [0,2,0,0,0,0|1,0,0]=3 11728 B19R2.4101 Cc1cc(cc(c1)NCC(O)c2ccccc2)O 7a_100011995906_100000185958 [0,2,0,0,0,0|1,0,0]=3 11729 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Br 34a_100000695972_100011933945 [0,2,0,0,0,0|1,0,0]=3 11730 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Br 7a_100000695972_100011933945 [0,2,0,0,0,0|1,0,0]=3 11731 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)C 2230a_100000210930_100011933945 [0,2,0,0,0,0|1,0,0]=3 11732 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)C 34a_100000210930_100011933945 [0,2,0,0,0,0|1,0,0]=3 11733 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)C 7a_100000210930_100011933945 [0,2,0,0,0,0|1,0,0]=3 11734 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Cl 2230a_100012022512_100011933945 [0,2,0,0,0,0|1,0,0]=3 11735 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Cl 34a_100012022512_100011933945 [0,2,0,0,0,0|1,0,0]=3 11736 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Cl 7a_100012022512_100011933945 [0,2,0,0,0,0|1,0,0]=3 11737 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)F 2230a_100000742734_100011933945 [0,2,0,0,0,0|1,0,0]=3 11738 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)F 34a_100000742734_100011933945 [0,2,0,0,0,0|1,0,0]=3 11739 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)F 7a_100000742734_100011933945 [0,2,0,0,0,0|1,0,0]=3 11740 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)O 34a_100011995906_100011933945 [0,2,0,0,0,0|1,0,0]=3 11741 B19R2.4101 Cc1cc(cc(c1)NC[C@@H](O)c2ccccc2)O 7a_100011995906_100011933945 [0,2,0,0,0,0|1,0,0]=3 11742 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)Br 34a_100011999630_100000185958 [0,2,0,0,0,0|2,0,0]=4 11743 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)Br 7a_100011999630_100000185958 [0,2,0,0,0,0|2,0,0]=4 11744 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)C 34a_100000210933_100000185958 [0,2,0,0,0,0|2,0,0]=4 11745 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)C 7a_100000210933_100000185958 [0,2,0,0,0,0|2,0,0]=4 11746 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)Cl 34a_100000087485_100000185958 [0,2,0,0,0,0|2,0,0]=4 11747 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)Cl 7a_100000087485_100000185958 [0,2,0,0,0,0|2,0,0]=4 11748 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)F 34a_100011830401_100000185958 [0,2,0,0,0,0|2,0,0]=4 11749 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)F 7a_100011830401_100000185958 [0,2,0,0,0,0|2,0,0]=4 11750 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)N 34a_100011995906_100000185958 [0,2,0,0,0,0|2,0,0]=4 11751 B19R2.4101 Cc1cc(cc(c1)OCC(O)c2ccccc2)N 7a_100011995906_100000185958 [0,2,0,0,0,0|2,0,0]=4 11752 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)Br 34a_100011999630_100011933945 [0,2,0,0,0,0|2,0,0]=4 11753 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)Br 7a_100011999630_100011933945 [0,2,0,0,0,0|2,0,0]=4 11754 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)C 34a_100000210933_100011933945 [0,2,0,0,0,0|2,0,0]=4 11755 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)C 7a_100000210933_100011933945 [0,2,0,0,0,0|2,0,0]=4 11756 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)Cl 34a_100000087485_100011933945 [0,2,0,0,0,0|2,0,0]=4 11757 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)Cl 7a_100000087485_100011933945 [0,2,0,0,0,0|2,0,0]=4 11758 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)F 34a_100011830401_100011933945 [0,2,0,0,0,0|2,0,0]=4 11759 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)F 7a_100011830401_100011933945 [0,2,0,0,0,0|2,0,0]=4 11760 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)N 34a_100011995906_100011933945 [0,2,0,0,0,0|2,0,0]=4 11761 B19R2.4101 Cc1cc(cc(c1)OC[C@@H](O)c2ccccc2)N 7a_100011995906_100011933945 [0,2,0,0,0,0|2,0,0]=4 11762 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)C 62a_100000185958_100011215608 [0,2,0,0,0,0|2,0,0]=4 11763 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)C 62a_100011215608_100000185958 [0,2,0,0,0,0|2,0,0]=4 11764 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)Cl 62a_100000185958_100010172791 [0,2,0,0,0,0|2,0,0]=4 11765 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)Cl 62a_100010172791_100000185958 [0,2,0,0,0,0|2,0,0]=4 11766 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)F 62a_100000185958_100011356977 [0,2,0,0,0,0|2,0,0]=4 11767 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)F 62a_100011356977_100000185958 [0,2,0,0,0,0|2,0,0]=4 11768 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)N 62a_100000185958_100000695972 [0,2,0,0,0,0|2,0,0]=4 11769 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)N 62a_100000695972_100000185958 [0,2,0,0,0,0|2,0,0]=4 11770 B19R2.4101 Cc1cc(cc(c1)SCC(O)c2ccccc2)O 62a_100000185958_100011999630 [0,2,0,0,0,0|2,0,0]=4 11771 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)C 62a_100011215608_100011933945 [0,2,0,0,0,0|2,0,0]=4 11772 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100011215608 [0,2,0,0,0,0|2,0,0]=4 11773 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100010172791_100011933945 [0,2,0,0,0,0|2,0,0]=4 11774 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010172791 [0,2,0,0,0,0|2,0,0]=4 11775 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)F 62a_100011356977_100011933945 [0,2,0,0,0,0|2,0,0]=4 11776 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100011356977 [0,2,0,0,0,0|2,0,0]=4 11777 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)N 62a_100000695972_100011933945 [0,2,0,0,0,0|2,0,0]=4 11778 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000695972 [0,2,0,0,0,0|2,0,0]=4 11779 B19R2.4101 Cc1cc(cc(c1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_100011999630 [0,2,0,0,0,0|2,0,0]=4 11780 B19R2.4101 Cc1cc(cc(n1)C)NCC(O)c2ccccc2 27a_100000210709_100000066820 [0,2,0,0,0,0|2,0,0]=4 11781 B19R2.4101 Cc1cc(cc(n1)Cl)NCC(O)c2ccccc2 27a_100000210709_100010068023 [0,2,0,0,0,0|2,0,0]=4 11782 B19R2.4101 Cc1cc(cc(n1)F)NCC(O)c2ccccc2 27a_100000210709_100010006595 [0,2,0,0,0,0|2,0,0]=4 11783 B19R2.4101 Cc1cc(cc(n1)SCC(C)c2ccccc2)N 62a_100000071261_100000756946 [0,2,0,0,0,0|2,0,0]=4 11784 B19R2.4101 Cc1cc(cc(n1)SCC(C)c2ccccc2)N 62a_100000756946_100000071261 [0,2,0,0,0,0|2,0,0]=4 11785 B19R2.4101 Cc1cc(cc(n1)SCC(O)c2ccccc2)N 62a_100000071261_100000185958 [0,2,0,0,0,0|1,0,0]=3 11786 B19R2.4101 Cc1cc(cc(n1)SCC(O)c2ccccc2)N 62a_100000185958_100000071261 [0,2,0,0,0,0|1,0,0]=3 11787 B19R2.4101 Cc1cc(cc(n1)SC[C@@H](O)c2ccccc2)N 62a_100000071261_100011933945 [0,2,0,0,0,0|1,0,0]=3 11788 B19R2.4101 Cc1cc(cc(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000071261 [0,2,0,0,0,0|1,0,0]=3 11789 B19R2.4101 Cc1cc(nc(c1)NCC(C)c2ccccc2)C 27a_100000701038_100000069240 [0,2,0,0,0,0|1,0,0]=3 11790 B19R2.4101 Cc1cc(nc(c1)NCC(C)c2ccccc2)F 27a_100000701038_100009819601 [0,2,0,0,0,0|1,0,0]=3 11791 B19R2.4101 Cc1cc(nc(c1)NCC(O)c2ccccc2)C 27a_100000210709_100000069240 [0,2,0,0,0,0|0,0,0]=2 11792 B19R2.4101 Cc1cc(nc(c1)NCC(O)c2ccccc2)F 27a_100000210709_100009819601 [0,2,0,0,0,0|0,0,0]=2 11793 B19R2.4101 Cc1cc(nc(c1)NCC(O)c2ccccn2)C 27a_100000691469_100000069240 [0,2,0,0,0,0|1,0,0]=3 11794 B19R2.4101 Cc1cc(nc(c1)NCC(O)c2ccccn2)F 27a_100000691469_100009819601 [0,2,0,0,0,0|1,0,0]=3 11795 B19R2.4101 Cc1cc(nc(c1)NCC(O)c2cccnc2)C 27a_100020605170_100000069240 [0,2,0,0,0,0|1,0,0]=3 11796 B19R2.4101 Cc1cc(nc(c1)NCC(O)c2cccnc2)F 27a_100020605170_100009819601 [0,2,0,0,0,0|1,0,0]=3 11797 B19R2.4101 Cc1cc(nc(c1)SCC(C)c2ccccc2)C 62a_100000069240_100000756946 [0,2,0,0,0,0|2,0,0]=4 11798 B19R2.4101 Cc1cc(nc(c1)SCC(C)c2ccccc2)C 62a_100000756946_100000069240 [0,2,0,0,0,0|2,0,0]=4 11799 B19R2.4101 Cc1cc(nc(c1)SCC(C)c2ccccc2)F 62a_100000756946_100009819601 [0,2,0,0,0,0|2,0,0]=4 11800 B19R2.4101 Cc1cc(nc(c1)SCC(C)c2ccccc2)F 62a_100009819601_100000756946 [0,2,0,0,0,0|2,0,0]=4 11801 B19R2.4101 Cc1cc(nc(c1)SCC(C)c2ccccc2)N 62a_100000756946_100009819863 [0,2,0,0,0,0|2,0,0]=4 11802 B19R2.4101 Cc1cc(nc(c1)SCC(C)c2ccccc2)N 62a_100009819863_100000756946 [0,2,0,0,0,0|2,0,0]=4 11803 B19R2.4101 Cc1cc(nc(c1)SCC(O)c2ccccc2)C 62a_100000069240_100000185958 [0,2,0,0,0,0|1,0,0]=3 11804 B19R2.4101 Cc1cc(nc(c1)SCC(O)c2ccccc2)C 62a_100000185958_100000069240 [0,2,0,0,0,0|1,0,0]=3 11805 B19R2.4101 Cc1cc(nc(c1)SCC(O)c2ccccc2)F 62a_100000185958_100009819601 [0,2,0,0,0,0|1,0,0]=3 11806 B19R2.4101 Cc1cc(nc(c1)SCC(O)c2ccccc2)F 62a_100009819601_100000185958 [0,2,0,0,0,0|1,0,0]=3 11807 B19R2.4101 Cc1cc(nc(c1)SCC(O)c2ccccc2)N 62a_100000185958_100009819863 [0,2,0,0,0,0|1,0,0]=3 11808 B19R2.4101 Cc1cc(nc(c1)SCC(O)c2ccccc2)N 62a_100009819863_100000185958 [0,2,0,0,0,0|1,0,0]=3 11809 B19R2.4101 Cc1cc(nc(c1)SC[C@@H](O)c2ccccc2)C 62a_100000069240_100011933945 [0,2,0,0,0,0|1,0,0]=3 11810 B19R2.4101 Cc1cc(nc(c1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100000069240 [0,2,0,0,0,0|1,0,0]=3 11811 B19R2.4101 Cc1cc(nc(c1)SC[C@@H](O)c2ccccc2)F 62a_100009819601_100011933945 [0,2,0,0,0,0|1,0,0]=3 11812 B19R2.4101 Cc1cc(nc(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100009819601 [0,2,0,0,0,0|1,0,0]=3 11813 B19R2.4101 Cc1cc(nc(c1)SC[C@@H](O)c2ccccc2)N 62a_100009819863_100011933945 [0,2,0,0,0,0|1,0,0]=3 11814 B19R2.4101 Cc1cc(nc(c1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100009819863 [0,2,0,0,0,0|1,0,0]=3 11815 B19R2.4101 Cc1cc(nc(n1)C)NCC(C)c2ccccc2 27a_100000701038_100000736142 [0,2,0,0,0,0|2,0,0]=4 11816 B19R2.4101 Cc1cc(nc(n1)C)NCC(O)c2ccccc2 27a_100000210709_100000736142 [0,2,0,0,0,0|1,0,0]=3 11817 B19R2.4101 Cc1cc(nc(n1)C)NCC(O)c2ccccn2 27a_100000691469_100000736142 [0,2,0,0,0,0|2,0,0]=4 11818 B19R2.4101 Cc1cc(nc(n1)C)NCC(O)c2cccnc2 27a_100020605170_100000736142 [0,2,0,0,0,0|2,0,0]=4 11819 B19R2.4101 Cc1cc(nc(n1)C)SCC(O)c2ccccc2 62a_100000185958_100000736142 [0,2,0,0,0,0|2,0,0]=4 11820 B19R2.4101 Cc1cc(nc(n1)C)SCC(O)c2ccccc2 62a_100000736142_100000185958 [0,2,0,0,0,0|2,0,0]=4 11821 B19R2.4101 Cc1cc(nc(n1)C)SC[C@@H](O)c2ccccc2 62a_100000736142_100011933945 [0,2,0,0,0,0|2,0,0]=4 11822 B19R2.4101 Cc1cc(nc(n1)C)SC[C@@H](O)c2ccccc2 62a_100011933945_100000736142 [0,2,0,0,0,0|2,0,0]=4 11823 B19R2.4101 Cc1cc(nc(n1)N)NCC(C)c2ccccc2 27a_100000701038_100000183061 [0,2,0,0,0,0|2,0,0]=4 11824 B19R2.4101 Cc1cc(nc(n1)N)NCC(O)c2ccccc2 27a_100000210709_100000183061 [0,2,0,0,0,0|1,0,0]=3 11825 B19R2.4101 Cc1cc(nc(n1)N)NCC(O)c2ccccn2 27a_100000691469_100000183061 [0,2,0,0,0,0|2,0,0]=4 11826 B19R2.4101 Cc1cc(nc(n1)N)NCC(O)c2cccnc2 27a_100020605170_100000183061 [0,2,0,0,0,0|2,0,0]=4 11827 B19R2.4101 Cc1cc(nc(n1)N)SCC(O)c2ccccc2 62a_100000183061_100000185958 [0,2,0,0,0,0|2,0,0]=4 11828 B19R2.4101 Cc1cc(nc(n1)N)SCC(O)c2ccccc2 62a_100000185958_100000183061 [0,2,0,0,0,0|2,0,0]=4 11829 B19R2.4101 Cc1cc(nc(n1)N)SC[C@@H](O)c2ccccc2 62a_100000183061_100011933945 [0,2,0,0,0,0|2,0,0]=4 11830 B19R2.4101 Cc1cc(nc(n1)N)SC[C@@H](O)c2ccccc2 62a_100011933945_100000183061 [0,2,0,0,0,0|2,0,0]=4 11831 B19R2.4101 Cc1cc(nc(n1)NCC(C)c2ccccc2)C 27a_100000701038_100000736147 [0,2,0,0,0,0|2,0,0]=4 11832 B19R2.4101 Cc1cc(nc(n1)NCC(C)c2ccccc2)N 27a_100000701038_100000687285 [0,2,0,0,0,0|2,0,0]=4 11833 B19R2.4101 Cc1cc(nc(n1)NCC(O)c2ccccc2)C 27a_100000210709_100000736147 [0,2,0,0,0,0|1,0,0]=3 11834 B19R2.4101 Cc1cc(nc(n1)NCC(O)c2ccccc2)N 27a_100000210709_100000687285 [0,2,0,0,0,0|1,0,0]=3 11835 B19R2.4101 Cc1cc(nc(n1)NCC(O)c2ccccn2)C 27a_100000691469_100000736147 [0,2,0,0,0,0|2,0,0]=4 11836 B19R2.4101 Cc1cc(nc(n1)NCC(O)c2ccccn2)N 27a_100000691469_100000687285 [0,2,0,0,0,0|2,0,0]=4 11837 B19R2.4101 Cc1cc(nc(n1)NCC(O)c2cccnc2)C 27a_100020605170_100000736147 [0,2,0,0,0,0|2,0,0]=4 11838 B19R2.4101 Cc1cc(nc(n1)NCC(O)c2cccnc2)N 27a_100020605170_100000687285 [0,2,0,0,0,0|2,0,0]=4 11839 B19R2.4101 Cc1cc(nc(n1)SCC(O)c2ccccc2)C 62a_100000185958_100000736147 [0,2,0,0,0,0|2,0,0]=4 11840 B19R2.4101 Cc1cc(nc(n1)SCC(O)c2ccccc2)C 62a_100000736147_100000185958 [0,2,0,0,0,0|2,0,0]=4 11841 B19R2.4101 Cc1cc(nc(n1)SCC(O)c2ccccc2)N 62a_100000185958_100000687285 [0,2,0,0,0,0|2,0,0]=4 11842 B19R2.4101 Cc1cc(nc(n1)SCC(O)c2ccccc2)N 62a_100000687285_100000185958 [0,2,0,0,0,0|2,0,0]=4 11843 B19R2.4101 Cc1cc(nc(n1)SC[C@@H](O)c2ccccc2)C 62a_100000736147_100011933945 [0,2,0,0,0,0|2,0,0]=4 11844 B19R2.4101 Cc1cc(nc(n1)SC[C@@H](O)c2ccccc2)C 62a_100011933945_100000736147 [0,2,0,0,0,0|2,0,0]=4 11845 B19R2.4101 Cc1cc(nc(n1)SC[C@@H](O)c2ccccc2)N 62a_100000687285_100011933945 [0,2,0,0,0,0|2,0,0]=4 11846 B19R2.4101 Cc1cc(nc(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000687285 [0,2,0,0,0,0|2,0,0]=4 11847 B19R2.4101 Cc1nc(cc(n1)NCC(C)c2ccccc2)N 27a_100000701038_100000761517 [0,2,0,0,0,0|2,0,0]=4 11848 B19R2.4101 Cc1nc(cc(n1)NCC(C)c2ccccc2)O 27a_100000701038_106741647437 [0,2,0,0,0,0|2,0,0]=4 11849 B19R2.4101 Cc1nc(cc(n1)NCC(O)c2ccccc2)N 27a_100000210709_100000761517 [0,2,0,0,0,0|1,0,0]=3 11850 B19R2.4101 Cc1nc(cc(n1)NCC(O)c2ccccc2)O 27a_100000210709_106741647437 [0,2,0,0,0,0|1,0,0]=3 11851 B19R2.4101 Cc1nc(cc(n1)NCC(O)c2ccccn2)N 27a_100000691469_100000761517 [0,2,0,0,0,0|2,0,0]=4 11852 B19R2.4101 Cc1nc(cc(n1)NCC(O)c2ccccn2)O 27a_100000691469_106741647437 [0,2,0,0,0,0|2,0,0]=4 11853 B19R2.4101 Cc1nc(cc(n1)NCC(O)c2cccnc2)N 27a_100020605170_100000761517 [0,2,0,0,0,0|2,0,0]=4 11854 B19R2.4101 Cc1nc(cc(n1)NCC(O)c2cccnc2)O 27a_100020605170_106741647437 [0,2,0,0,0,0|2,0,0]=4 11855 B19R2.4101 Cc1nc(cc(n1)SCC(O)c2ccccc2)N 62a_100000185958_100000761517 [0,2,0,0,0,0|2,0,0]=4 11856 B19R2.4101 Cc1nc(cc(n1)SCC(O)c2ccccc2)N 62a_100000761517_100000185958 [0,2,0,0,0,0|2,0,0]=4 11857 B19R2.4101 Cc1nc(cc(n1)SCC(O)c2ccccc2)O 62a_100000185958_106741647437 [0,2,0,0,0,0|2,0,0]=4 11858 B19R2.4101 Cc1nc(cc(n1)SC[C@@H](O)c2ccccc2)N 62a_100000761517_100011933945 [0,2,0,0,0,0|2,0,0]=4 11859 B19R2.4101 Cc1nc(cc(n1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100000761517 [0,2,0,0,0,0|2,0,0]=4 11860 B19R2.4101 Cc1nc(cc(n1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_106741647437 [0,2,0,0,0,0|2,0,0]=4 11861 B19R2.4101 Cc1nc(nc(n1)NCC(O)c2ccccc2)C 27a_100000210709_100015468570 [0,2,0,0,0,0|2,0,0]=4 11862 B19R2.4101 Cc1nc(nc(n1)NCC(O)c2ccccc2)N 27a_100000210709_200012022553 [0,2,0,0,0,0|2,0,0]=4 11863 B19R2.4101 Nc1cc(=O)nc([nH]1)NCC(O)c2ccccc2 27a_100000210709_100000101444 [0,2,0,0,0,0|1,0,0]=3 11864 B19R2.4101 Nc1cc(=O)nc([nH]1)NCC(O)c2ccccn2 27a_100000691469_100000101444 [0,2,0,0,0,0|2,0,0]=4 11865 B19R2.4101 Nc1cc(=O)nc([nH]1)NCC(O)c2cccnc2 27a_100020605170_100000101444 [0,2,0,0,0,0|2,0,0]=4 11866 B19R2.4101 Nc1cc(=O)nc([nH]1)SCC(O)c2ccccc2 62a_100000101444_100000185958 [0,2,0,0,0,0|2,0,0]=4 11867 B19R2.4101 Nc1cc(=O)nc([nH]1)SCC(O)c2ccccc2 62a_100000185958_100000101444 [0,2,0,0,0,0|2,0,0]=4 11868 B19R2.4101 Nc1cc(=O)nc([nH]1)SC[C@@H](O)c2ccccc2 62a_100000101444_100011933945 [0,2,0,0,0,0|2,0,0]=4 11869 B19R2.4101 Nc1cc(=O)nc([nH]1)SC[C@@H](O)c2ccccc2 62a_100011933945_100000101444 [0,2,0,0,0,0|2,0,0]=4 11870 B19R2.4101 Nc1cc(cc(c1)OCC(O)c2ccccc2)Cl 34a_100000123917_100000185958 [0,2,0,0,0,0|2,0,0]=4 11871 B19R2.4101 Nc1cc(cc(c1)OCC(O)c2ccccc2)Cl 7a_100000123917_100000185958 [0,2,0,0,0,0|2,0,0]=4 11872 B19R2.4101 Nc1cc(cc(c1)OC[C@@H](O)c2ccccc2)Cl 34a_100000123917_100011933945 [0,2,0,0,0,0|2,0,0]=4 11873 B19R2.4101 Nc1cc(cc(c1)OC[C@@H](O)c2ccccc2)Cl 7a_100000123917_100011933945 [0,2,0,0,0,0|2,0,0]=4 11874 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)Br 62a_100000185958_100009814763 [0,2,0,0,0,0|2,0,0]=4 11875 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)Br 62a_100009814763_100000185958 [0,2,0,0,0,0|2,0,0]=4 11876 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)Cl 62a_100000185958_100010147676 [0,2,0,0,0,0|2,0,0]=4 11877 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)Cl 62a_100010147676_100000185958 [0,2,0,0,0,0|2,0,0]=4 11878 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)F 62a_100000185958_100011356972 [0,2,0,0,0,0|2,0,0]=4 11879 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)F 62a_100011356972_100000185958 [0,2,0,0,0,0|2,0,0]=4 11880 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)N 62a_100000185958_100011999608 [0,2,0,0,0,0|2,0,0]=4 11881 B19R2.4101 Nc1cc(cc(c1)SCC(O)c2ccccc2)N 62a_100011999608_100000185958 [0,2,0,0,0,0|2,0,0]=4 11882 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Br 62a_100009814763_100011933945 [0,2,0,0,0,0|2,0,0]=4 11883 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100009814763 [0,2,0,0,0,0|2,0,0]=4 11884 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100010147676_100011933945 [0,2,0,0,0,0|2,0,0]=4 11885 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010147676 [0,2,0,0,0,0|2,0,0]=4 11886 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)F 62a_100011356972_100011933945 [0,2,0,0,0,0|2,0,0]=4 11887 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100011356972 [0,2,0,0,0,0|2,0,0]=4 11888 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)N 62a_100011933945_100011999608 [0,2,0,0,0,0|2,0,0]=4 11889 B19R2.4101 Nc1cc(cc(c1)SC[C@@H](O)c2ccccc2)N 62a_100011999608_100011933945 [0,2,0,0,0,0|2,0,0]=4 11890 B19R2.4101 Nc1cc(nc(c1)SCC(O)c2ccccc2)O 62a_100000185958_200012179554 [0,2,0,0,0,0|1,0,0]=3 11891 B19R2.4101 Nc1cc(nc(c1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_200012179554 [0,2,0,0,0,0|1,0,0]=3 11892 B19R2.4101 Nc1cc(nc(n1)N)SCC(O)c2ccccc2 62a_100000212091_100000185958 [0,2,0,0,0,0|2,0,0]=4 11893 B19R2.4101 Nc1cc(nc(n1)N)SC[C@@H](O)c2ccccc2 62a_100000212091_100011933945 [0,2,0,0,0,0|2,0,0]=4 11894 B19R2.4101 Nc1nc(cc(n1)NCC(O)c2ccccc2)O 27a_100000210709_100000694715 [0,2,0,0,0,0|1,0,0]=3 11895 B19R2.4101 Nc1nc(cc(n1)NCC(O)c2ccccn2)O 27a_100000691469_100000694715 [0,2,0,0,0,0|2,0,0]=4 11896 B19R2.4101 Nc1nc(cc(n1)NCC(O)c2cccnc2)O 27a_100020605170_100000694715 [0,2,0,0,0,0|2,0,0]=4 11897 B19R2.4101 Nc1nc(cc(n1)SCC(O)c2ccccc2)O 62a_100000694715_100000185958 [0,2,0,0,0,0|2,0,0]=4 11898 B19R2.4101 Nc1nc(cc(n1)SC[C@@H](O)c2ccccc2)O 62a_100000694715_100011933945 [0,2,0,0,0,0|2,0,0]=4 11899 B19R2.4101 Nc1nc(nc(n1)NCC(O)c2ccccc2)N 27a_100000210709_100000188858 [0,2,0,0,0,0|2,0,0]=4 11900 B19R2.4101 O=c1cc([nH]c(=O)[nH]1)NCC(O)c2ccccc2 27a_100000210709_100000015670 [0,2,0,0,0,0|1,0,1]=4 11901 B19R2.4101 OC(CNc1cc(cc(c1)Br)Br)c2ccccc2 27a_100000210709_100009814770 [0,2,0,0,0,0|1,0,0]=3 11902 B19R2.4101 OC(CNc1cc(cc(c1)Br)Br)c2ccccc2 34a_100012047176_100000185958 [0,2,0,0,0,0|1,0,0]=3 11903 B19R2.4101 OC(CNc1cc(cc(c1)Br)Br)c2ccccc2 7a_100012047176_100000185958 [0,2,0,0,0,0|1,0,0]=3 11904 B19R2.4101 OC(CNc1cc(cc(c1)Br)Br)c2ccccn2 27a_100000691469_100009814770 [0,2,0,0,0,0|2,0,0]=4 11905 B19R2.4101 OC(CNc1cc(cc(c1)Br)Br)c2cccnc2 27a_100020605170_100009814770 [0,2,0,0,0,0|2,0,0]=4 11906 B19R2.4101 OC(CNc1cc(cc(c1)Br)Cl)c2ccccc2 34a_100011934539_100000185958 [0,2,0,0,0,0|1,0,0]=3 11907 B19R2.4101 OC(CNc1cc(cc(c1)Br)Cl)c2ccccc2 7a_100011934539_100000185958 [0,2,0,0,0,0|1,0,0]=3 11908 B19R2.4101 OC(CNc1cc(cc(c1)Br)F)c2ccccc2 34a_100000705686_100000185958 [0,2,0,0,0,0|1,0,0]=3 11909 B19R2.4101 OC(CNc1cc(cc(c1)Br)F)c2ccccc2 7a_100000705686_100000185958 [0,2,0,0,0,0|1,0,0]=3 11910 B19R2.4101 OC(CNc1cc(cc(c1)Cl)Cl)c2ccccc2 34a_100000210456_100000185958 [0,2,0,0,0,0|1,0,0]=3 11911 B19R2.4101 OC(CNc1cc(cc(c1)Cl)Cl)c2ccccc2 7a_100000210456_100000185958 [0,2,0,0,0,0|1,0,0]=3 11912 B19R2.4101 OC(CNc1cc(cc(c1)Cl)F)c2ccccc2 34a_100000686136_100000185958 [0,2,0,0,0,0|1,0,0]=3 11913 B19R2.4101 OC(CNc1cc(cc(c1)Cl)F)c2ccccc2 7a_100000686136_100000185958 [0,2,0,0,0,0|1,0,0]=3 11914 B19R2.4101 OC(CNc1cc(cc(c1)F)F)c2ccccc2 34a_100000233717_100000185958 [0,2,0,0,0,0|1,0,0]=3 11915 B19R2.4101 OC(CNc1cc(cc(c1)F)F)c2ccccc2 7a_100000233717_100000185958 [0,2,0,0,0,0|1,0,0]=3 11916 B19R2.4101 OC(CNc1cc(cc(c1)I)Br)c2ccccc2 7a_100009814763_100000185958 [0,2,0,0,0,0|1,0,0]=3 11917 B19R2.4101 OC(CNc1cc(cc(c1)I)Cl)c2ccccc2 7a_100010147676_100000185958 [0,2,0,0,0,0|1,0,0]=3 11918 B19R2.4101 OC(CNc1cc(cc(c1)I)F)c2ccccc2 34a_100011356972_100000185958 [0,2,0,0,0,0|1,0,0]=3 11919 B19R2.4101 OC(CNc1cc(cc(c1)I)F)c2ccccc2 7a_100011356972_100000185958 [0,2,0,0,0,0|1,0,0]=3 11920 B19R2.4101 OC(CNc1cc(cc(c1)I)I)c2ccccc2 7a_200000696836_100000185958 [0,2,0,0,0,0|1,0,0]=3 11921 B19R2.4101 OC(CNc1cc(nc(c1)Cl)F)c2ccccc2 27a_100000210709_100011069727 [0,2,0,0,0,0|2,0,0]=4 11922 B19R2.4101 OC(CNc1cc(nc(c1)F)F)c2ccccc2 27a_100000210709_100000049587 [0,2,0,0,0,0|2,0,0]=4 11923 B19R2.4101 OC(COc1cc(cc(c1)Br)Br)c2ccccc2 34a_100010167048_100000185958 [0,2,0,0,0,0|2,0,0]=4 11924 B19R2.4101 OC(COc1cc(cc(c1)Br)Br)c2ccccc2 7a_100010167048_100000185958 [0,2,0,0,0,0|2,0,0]=4 11925 B19R2.4101 OC(COc1cc(cc(c1)Br)Cl)c2ccccc2 34a_100010185897_100000185958 [0,2,0,0,0,0|2,0,0]=4 11926 B19R2.4101 OC(COc1cc(cc(c1)Br)Cl)c2ccccc2 7a_100010185897_100000185958 [0,2,0,0,0,0|2,0,0]=4 11927 B19R2.4101 OC(COc1cc(cc(c1)Br)F)c2ccccc2 34a_100000688818_100000185958 [0,2,0,0,0,0|2,0,0]=4 11928 B19R2.4101 OC(COc1cc(cc(c1)Br)F)c2ccccc2 7a_100000688818_100000185958 [0,2,0,0,0,0|2,0,0]=4 11929 B19R2.4101 OC(COc1cc(cc(c1)Cl)Cl)c2ccccc2 34a_100000181315_100000185958 [0,2,0,0,0,0|2,0,0]=4 11930 B19R2.4101 OC(COc1cc(cc(c1)Cl)Cl)c2ccccc2 7a_100000181315_100000185958 [0,2,0,0,0,0|2,0,0]=4 11931 B19R2.4101 OC(COc1cc(cc(c1)Cl)F)c2ccccc2 34a_100011219751_100000185958 [0,2,0,0,0,0|2,0,0]=4 11932 B19R2.4101 OC(COc1cc(cc(c1)Cl)F)c2ccccc2 7a_100011219751_100000185958 [0,2,0,0,0,0|2,0,0]=4 11933 B19R2.4101 OC(COc1cc(cc(c1)F)F)c2ccccc2 34a_100000747503_100000185958 [0,2,0,0,0,0|2,0,0]=4 11934 B19R2.4101 OC(COc1cc(cc(c1)F)F)c2ccccc2 7a_100000747503_100000185958 [0,2,0,0,0,0|2,0,0]=4 11935 B19R2.4101 OC(COc1cc(cc(c1)I)Br)c2ccccc2 34a_100010068917_100000185958 [0,2,0,0,0,0|2,0,0]=4 11936 B19R2.4101 OC(COc1cc(cc(c1)I)Br)c2ccccc2 7a_100010068917_100000185958 [0,2,0,0,0,0|2,0,0]=4 11937 B19R2.4101 OC(COc1cc(cc(c1)I)Cl)c2ccccc2 34a_100010068924_100000185958 [0,2,0,0,0,0|2,0,0]=4 11938 B19R2.4101 OC(COc1cc(cc(c1)I)Cl)c2ccccc2 7a_100010068924_100000185958 [0,2,0,0,0,0|2,0,0]=4 11939 B19R2.4101 OC(COc1cc(cc(c1)I)F)c2ccccc2 34a_100000717995_100000185958 [0,2,0,0,0,0|2,0,0]=4 11940 B19R2.4101 OC(COc1cc(cc(c1)I)F)c2ccccc2 7a_100000717995_100000185958 [0,2,0,0,0,0|2,0,0]=4 11941 B19R2.4101 OC(CSc1cc(cc(c1)Br)Cl)c2ccccc2 62a_100000185958_100009814755 [0,2,0,0,0,0|2,0,0]=4 11942 B19R2.4101 OC(CSc1cc(cc(c1)Br)Cl)c2ccccc2 62a_100009814755_100000185958 [0,2,0,0,0,0|2,0,0]=4 11943 B19R2.4101 OC(CSc1cc(cc(c1)Br)F)c2ccccc2 62a_100000185958_100009814764 [0,2,0,0,0,0|2,0,0]=4 11944 B19R2.4101 OC(CSc1cc(cc(c1)Br)F)c2ccccc2 62a_100009814764_100000185958 [0,2,0,0,0,0|2,0,0]=4 11945 B19R2.4101 OC(CSc1cc(cc(c1)Cl)Cl)c2ccccc2 62a_100000185958_100000747138 [0,2,0,0,0,0|2,0,0]=4 11946 B19R2.4101 OC(CSc1cc(cc(c1)Cl)Cl)c2ccccc2 62a_100000747138_100000185958 [0,2,0,0,0,0|2,0,0]=4 11947 B19R2.4101 OC(CSc1cc(cc(c1)Cl)F)c2ccccc2 62a_100000185958_100013859453 [0,2,0,0,0,0|2,0,0]=4 11948 B19R2.4101 OC(CSc1cc(cc(c1)Cl)F)c2ccccc2 62a_100013859453_100000185958 [0,2,0,0,0,0|2,0,0]=4 11949 B19R2.4101 OC(CSc1cc(cc(c1)F)F)c2ccccc2 62a_100000185958_100000233788 [0,2,0,0,0,0|2,0,0]=4 11950 B19R2.4101 OC(CSc1cc(cc(c1)F)F)c2ccccc2 62a_100000233788_100000185958 [0,2,0,0,0,0|2,0,0]=4 11951 B19R2.4101 OC(CSc1nc(cc(n1)Cl)Cl)c2ccccc2 62a_100000185958_100010365624 [0,2,0,0,0,0|2,0,0]=4 11952 B19R2.4101 OC(CSc1nc(cc(n1)Cl)Cl)c2ccccc2 62a_100010365624_100000185958 [0,2,0,0,0,0|2,0,0]=4 11953 B19R2.4101 O[C@H](CNc1cc(cc(c1)Br)Br)c2ccccc2 34a_100012047176_100011933945 [0,2,0,0,0,0|1,0,0]=3 11954 B19R2.4101 O[C@H](CNc1cc(cc(c1)Br)Br)c2ccccc2 7a_100012047176_100011933945 [0,2,0,0,0,0|1,0,0]=3 11955 B19R2.4101 O[C@H](CNc1cc(cc(c1)Br)Cl)c2ccccc2 34a_100011934539_100011933945 [0,2,0,0,0,0|1,0,0]=3 11956 B19R2.4101 O[C@H](CNc1cc(cc(c1)Br)Cl)c2ccccc2 7a_100011934539_100011933945 [0,2,0,0,0,0|1,0,0]=3 11957 B19R2.4101 O[C@H](CNc1cc(cc(c1)Br)F)c2ccccc2 34a_100000705686_100011933945 [0,2,0,0,0,0|1,0,0]=3 11958 B19R2.4101 O[C@H](CNc1cc(cc(c1)Br)F)c2ccccc2 7a_100000705686_100011933945 [0,2,0,0,0,0|1,0,0]=3 11959 B19R2.4101 O[C@H](CNc1cc(cc(c1)Cl)Cl)c2ccccc2 34a_100000210456_100011933945 [0,2,0,0,0,0|1,0,0]=3 11960 B19R2.4101 O[C@H](CNc1cc(cc(c1)Cl)Cl)c2ccccc2 7a_100000210456_100011933945 [0,2,0,0,0,0|1,0,0]=3 11961 B19R2.4101 O[C@H](CNc1cc(cc(c1)Cl)F)c2ccccc2 34a_100000686136_100011933945 [0,2,0,0,0,0|1,0,0]=3 11962 B19R2.4101 O[C@H](CNc1cc(cc(c1)Cl)F)c2ccccc2 7a_100000686136_100011933945 [0,2,0,0,0,0|1,0,0]=3 11963 B19R2.4101 O[C@H](CNc1cc(cc(c1)F)F)c2ccccc2 34a_100000233717_100011933945 [0,2,0,0,0,0|1,0,0]=3 11964 B19R2.4101 O[C@H](CNc1cc(cc(c1)F)F)c2ccccc2 7a_100000233717_100011933945 [0,2,0,0,0,0|1,0,0]=3 11965 B19R2.4101 O[C@H](CNc1cc(cc(c1)I)Br)c2ccccc2 7a_100009814763_100011933945 [0,2,0,0,0,0|1,0,0]=3 11966 B19R2.4101 O[C@H](CNc1cc(cc(c1)I)Cl)c2ccccc2 7a_100010147676_100011933945 [0,2,0,0,0,0|1,0,0]=3 11967 B19R2.4101 O[C@H](CNc1cc(cc(c1)I)F)c2ccccc2 34a_100011356972_100011933945 [0,2,0,0,0,0|1,0,0]=3 11968 B19R2.4101 O[C@H](CNc1cc(cc(c1)I)F)c2ccccc2 7a_100011356972_100011933945 [0,2,0,0,0,0|1,0,0]=3 11969 B19R2.4101 O[C@H](CNc1cc(cc(c1)I)I)c2ccccc2 7a_200000696836_100011933945 [0,2,0,0,0,0|1,0,0]=3 11970 B19R2.4101 O[C@H](COc1cc(cc(c1)Br)Br)c2ccccc2 34a_100010167048_100011933945 [0,2,0,0,0,0|2,0,0]=4 11971 B19R2.4101 O[C@H](COc1cc(cc(c1)Br)Br)c2ccccc2 7a_100010167048_100011933945 [0,2,0,0,0,0|2,0,0]=4 11972 B19R2.4101 O[C@H](COc1cc(cc(c1)Br)Cl)c2ccccc2 34a_100010185897_100011933945 [0,2,0,0,0,0|2,0,0]=4 11973 B19R2.4101 O[C@H](COc1cc(cc(c1)Br)Cl)c2ccccc2 7a_100010185897_100011933945 [0,2,0,0,0,0|2,0,0]=4 11974 B19R2.4101 O[C@H](COc1cc(cc(c1)Br)F)c2ccccc2 34a_100000688818_100011933945 [0,2,0,0,0,0|2,0,0]=4 11975 B19R2.4101 O[C@H](COc1cc(cc(c1)Br)F)c2ccccc2 7a_100000688818_100011933945 [0,2,0,0,0,0|2,0,0]=4 11976 B19R2.4101 O[C@H](COc1cc(cc(c1)Cl)Cl)c2ccccc2 34a_100000181315_100011933945 [0,2,0,0,0,0|2,0,0]=4 11977 B19R2.4101 O[C@H](COc1cc(cc(c1)Cl)Cl)c2ccccc2 7a_100000181315_100011933945 [0,2,0,0,0,0|2,0,0]=4 11978 B19R2.4101 O[C@H](COc1cc(cc(c1)Cl)F)c2ccccc2 34a_100011219751_100011933945 [0,2,0,0,0,0|2,0,0]=4 11979 B19R2.4101 O[C@H](COc1cc(cc(c1)Cl)F)c2ccccc2 7a_100011219751_100011933945 [0,2,0,0,0,0|2,0,0]=4 11980 B19R2.4101 O[C@H](COc1cc(cc(c1)F)F)c2ccccc2 34a_100000747503_100011933945 [0,2,0,0,0,0|2,0,0]=4 11981 B19R2.4101 O[C@H](COc1cc(cc(c1)F)F)c2ccccc2 7a_100000747503_100011933945 [0,2,0,0,0,0|2,0,0]=4 11982 B19R2.4101 O[C@H](COc1cc(cc(c1)I)Br)c2ccccc2 34a_100010068917_100011933945 [0,2,0,0,0,0|2,0,0]=4 11983 B19R2.4101 O[C@H](COc1cc(cc(c1)I)Br)c2ccccc2 7a_100010068917_100011933945 [0,2,0,0,0,0|2,0,0]=4 11984 B19R2.4101 O[C@H](COc1cc(cc(c1)I)Cl)c2ccccc2 34a_100010068924_100011933945 [0,2,0,0,0,0|2,0,0]=4 11985 B19R2.4101 O[C@H](COc1cc(cc(c1)I)Cl)c2ccccc2 7a_100010068924_100011933945 [0,2,0,0,0,0|2,0,0]=4 11986 B19R2.4101 O[C@H](COc1cc(cc(c1)I)F)c2ccccc2 34a_100000717995_100011933945 [0,2,0,0,0,0|2,0,0]=4 11987 B19R2.4101 O[C@H](COc1cc(cc(c1)I)F)c2ccccc2 7a_100000717995_100011933945 [0,2,0,0,0,0|2,0,0]=4 11988 B19R2.4101 O[C@H](CSc1cc(cc(c1)Br)Cl)c2ccccc2 62a_100009814755_100011933945 [0,2,0,0,0,0|2,0,0]=4 11989 B19R2.4101 O[C@H](CSc1cc(cc(c1)Br)Cl)c2ccccc2 62a_100011933945_100009814755 [0,2,0,0,0,0|2,0,0]=4 11990 B19R2.4101 O[C@H](CSc1cc(cc(c1)Br)F)c2ccccc2 62a_100009814764_100011933945 [0,2,0,0,0,0|2,0,0]=4 11991 B19R2.4101 O[C@H](CSc1cc(cc(c1)Br)F)c2ccccc2 62a_100011933945_100009814764 [0,2,0,0,0,0|2,0,0]=4 11992 B19R2.4101 O[C@H](CSc1cc(cc(c1)Cl)Cl)c2ccccc2 62a_100000747138_100011933945 [0,2,0,0,0,0|2,0,0]=4 11993 B19R2.4101 O[C@H](CSc1cc(cc(c1)Cl)Cl)c2ccccc2 62a_100011933945_100000747138 [0,2,0,0,0,0|2,0,0]=4 11994 B19R2.4101 O[C@H](CSc1cc(cc(c1)Cl)F)c2ccccc2 62a_100011933945_100013859453 [0,2,0,0,0,0|2,0,0]=4 11995 B19R2.4101 O[C@H](CSc1cc(cc(c1)Cl)F)c2ccccc2 62a_100013859453_100011933945 [0,2,0,0,0,0|2,0,0]=4 11996 B19R2.4101 O[C@H](CSc1cc(cc(c1)F)F)c2ccccc2 62a_100000233788_100011933945 [0,2,0,0,0,0|2,0,0]=4 11997 B19R2.4101 O[C@H](CSc1cc(cc(c1)F)F)c2ccccc2 62a_100011933945_100000233788 [0,2,0,0,0,0|2,0,0]=4 11998 B19R2.4101 O[C@H](CSc1nc(cc(n1)Cl)Cl)c2ccccc2 62a_100010365624_100011933945 [0,2,0,0,0,0|2,0,0]=4 11999 B19R2.4101 O[C@H](CSc1nc(cc(n1)Cl)Cl)c2ccccc2 62a_100011933945_100010365624 [0,2,0,0,0,0|2,0,0]=4 12000 B19R2.4101 Oc1cc(cc(c1)NCC(O)c2ccccc2)Cl 34a_100000123917_100000185958 [0,2,0,0,0,0|1,0,0]=3 12001 B19R2.4101 Oc1cc(cc(c1)NCC(O)c2ccccc2)Cl 7a_100000123917_100000185958 [0,2,0,0,0,0|1,0,0]=3 12002 B19R2.4101 Oc1cc(cc(c1)NCC(O)c2ccccc2)O 34a_100000043371_100000185958 [0,2,0,0,0,0|1,0,0]=3 12003 B19R2.4101 Oc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Cl 34a_100000123917_100011933945 [0,2,0,0,0,0|1,0,0]=3 12004 B19R2.4101 Oc1cc(cc(c1)NC[C@@H](O)c2ccccc2)Cl 7a_100000123917_100011933945 [0,2,0,0,0,0|1,0,0]=3 12005 B19R2.4101 Oc1cc(cc(c1)NC[C@@H](O)c2ccccc2)O 34a_100000043371_100011933945 [0,2,0,0,0,0|1,0,0]=3 12006 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)Br 62a_100000185958_100010068917 [0,2,0,0,0,0|2,0,0]=4 12007 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)Br 62a_100010068917_100000185958 [0,2,0,0,0,0|2,0,0]=4 12008 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)Cl 62a_100000185958_100010068924 [0,2,0,0,0,0|2,0,0]=4 12009 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)Cl 62a_100010068924_100000185958 [0,2,0,0,0,0|2,0,0]=4 12010 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)F 62a_100000185958_100000688818 [0,2,0,0,0,0|2,0,0]=4 12011 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)F 62a_100000688818_100000185958 [0,2,0,0,0,0|2,0,0]=4 12012 B19R2.4101 Oc1cc(cc(c1)SCC(O)c2ccccc2)O 62a_100000185958_100009868816 [0,2,0,0,0,0|2,0,0]=4 12013 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Br 62a_100010068917_100011933945 [0,2,0,0,0,0|2,0,0]=4 12014 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Br 62a_100011933945_100010068917 [0,2,0,0,0,0|2,0,0]=4 12015 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100010068924_100011933945 [0,2,0,0,0,0|2,0,0]=4 12016 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)Cl 62a_100011933945_100010068924 [0,2,0,0,0,0|2,0,0]=4 12017 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)F 62a_100000688818_100011933945 [0,2,0,0,0,0|2,0,0]=4 12018 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)F 62a_100011933945_100000688818 [0,2,0,0,0,0|2,0,0]=4 12019 B19R2.4101 Oc1cc(cc(c1)SC[C@@H](O)c2ccccc2)O 62a_100011933945_100009868816 [0,2,0,0,0,0|2,0,0]=4 12020 B19R2.4366 Cc1cccc(c1)NC(=O)[C@H](O)c2ccccc2 22a_100000188690_100000684486 [0,2,0,0,0,0|1,0,1]=4 12021 B19R2.4366 Cc1cccc(n1)CC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000757606 [0,2,0,0,0,0|1,0,1]=4 12022 B19R2.4366 Cc1ccnc(c1)CC(=O)[C@H](O)c2ccccc2 1458a_100000684486_100000718516 [0,2,0,0,0,0|1,0,1]=4 12023 B19R2.4366 O=C(Cc1cc(ccn1)Br)[C@H](O)c2ccccc2 1458a_100000684486_100010173614 [0,2,0,0,0,0|1,0,1]=4 12024 B19R2.4366 O=C(Cc1cc(ccn1)Cl)[C@H](O)c2ccccc2 1458a_100000684486_100016988179 [0,2,0,0,0,0|1,0,1]=4 12025 B19R2.4366 O=C(Cc1cccc(n1)Br)[C@H](O)c2ccccc2 1458a_100000684486_100009889011 [0,2,0,0,0,0|1,0,1]=4 12026 B19R2.4366 O=C(Cc1cccc(n1)Cl)[C@H](O)c2ccccc2 1458a_100000684486_100000086093 [0,2,0,0,0,0|1,0,1]=4 12027 B19R2.4366 O=C(Cc1cccc(n1)F)[C@H](O)c2ccccc2 1458a_100000684486_100009819644 [0,2,0,0,0,0|1,0,1]=4 12028 B19R2.4366 O=C(Nc1cccc(c1)Br)[C@H](O)c2ccccc2 22a_100000210019_100000684486 [0,2,0,0,0,0|1,0,1]=4 12029 B19R2.4366 O=C(Nc1cccc(c1)Cl)[C@H](O)c2ccccc2 22a_100000185859_100000684486 [0,2,0,0,0,0|1,0,1]=4 12030 B19R2.4366 O=C(Nc1cccc(c1)F)[C@H](O)c2ccccc2 22a_100000210047_100000684486 [0,2,0,0,0,0|1,0,1]=4 12031 B19R2.4366 O=C(Nc1cccc(c1)I)[C@H](O)c2ccccc2 22a_100000211102_100000684486 [0,2,0,0,0,0|1,0,1]=4 12032 B19R2.4366 O=C(Nc1cccc(c1)O)[C@H](O)c2ccccc2 22a_100000210217_100000684486 [0,2,0,0,0,0|1,0,1]=4 12033 B19R2.101108 CC(C)(CNc1c[n+](ccn1)[O-])c2ccccc2 27a_100011211644_100009880115 [0,2,0,0,0,0|2,0,0]=4 12034 B19R2.101108 CC(C)(CNc1cc(ccn1)F)c2ccccc2 27a_100011211644_100000764206 [0,2,0,0,0,0|1,0,0]=3 12035 B19R2.101108 CC(C)(CNc1cc(ncn1)F)c2ccccc2 27a_100011211644_200009880791 [0,2,0,0,0,0|2,0,0]=4 12036 B19R2.101108 CC(C)(CNc1cc(ncn1)N)c2ccccc2 27a_100011211644_100000701291 [0,2,0,0,0,0|2,0,0]=4 12037 B19R2.101108 CC(C)(CNc1cc(ncn1)O)c2ccccc2 27a_100011211644_100000765262 [0,2,0,0,0,0|2,0,0]=4 12038 B19R2.101108 CC(C)(CNc1cc[nH]c(=O)n1)c2ccccc2 27a_100011211644_200000134032 [0,2,0,0,0,0|2,0,0]=4 12039 B19R2.101108 CC(C)(CNc1cccc(n1)F)c2ccccc2 27a_100011211644_100009815982 [0,2,0,0,0,0|1,0,0]=3 12040 B19R2.101108 CC(C)(CNc1ccnc(n1)N)c2ccccc2 27a_100011211644_100000055538 [0,2,0,0,0,0|2,0,0]=4 12041 B19R2.101108 CC(C)(CNc1cncc(n1)Cl)c2ccccc2 27a_100011211644_100010892449 [0,2,0,0,0,0|2,0,0]=4 12042 B19R2.101108 CC(C)(CNc1cncc(n1)F)c2ccccc2 27a_100011211644_200009863489 [0,2,0,0,0,0|2,0,0]=4 12043 B19R2.101108 CC(C)(CNc1nccc(n1)N)c2ccccc2 27a_100011211644_100000757536 [0,2,0,0,0,0|2,0,0]=4 12044 B19R2.101108 CC(C)(CNc1nccc(n1)O)c2ccccc2 27a_100011211644_100011649813 [0,2,0,0,0,0|2,0,0]=4 12045 B19R2.101108 CC(C)(CSc1cc(ccn1)Cl)c2ccccc2 62a_100000703224_100010167805 [0,2,0,0,0,0|2,0,0]=4 12046 B19R2.101108 CC(C)(CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000703224 [0,2,0,0,0,0|2,0,0]=4 12047 B19R2.101108 CC(C)(CSc1cc(ccn1)F)c2ccccc2 62a_100000703224_100000764206 [0,2,0,0,0,0|2,0,0]=4 12048 B19R2.101108 CC(C)(CSc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000703224 [0,2,0,0,0,0|2,0,0]=4 12049 B19R2.101108 CC(C)(CSc1cc(ccn1)N)c2ccccc2 62a_100000703224_100009814236 [0,2,0,0,0,0|2,0,0]=4 12050 B19R2.101108 CC(C)(CSc1cc(ccn1)N)c2ccccc2 62a_100009814236_100000703224 [0,2,0,0,0,0|2,0,0]=4 12051 B19R2.101108 CC(C)(CSc1cc(ccn1)O)c2ccccc2 62a_100000703224_100000762945 [0,2,0,0,0,0|2,0,0]=4 12052 B19R2.101108 CC(C)(CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000703224 [0,2,0,0,0,0|2,0,0]=4 12053 B19R2.101108 CC(C)(CSc1cccc(n1)Br)c2ccccc2 62a_100000703224_100000684672 [0,2,0,0,0,0|2,0,0]=4 12054 B19R2.101108 CC(C)(CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000703224 [0,2,0,0,0,0|2,0,0]=4 12055 B19R2.101108 CC(C)(CSc1cccc(n1)Cl)c2ccccc2 62a_100000703224_100000051397 [0,2,0,0,0,0|2,0,0]=4 12056 B19R2.101108 CC(C)(CSc1cccc(n1)F)c2ccccc2 62a_100000703224_100009815982 [0,2,0,0,0,0|2,0,0]=4 12057 B19R2.101108 CC(C)(CSc1cccc(n1)F)c2ccccc2 62a_100009815982_100000703224 [0,2,0,0,0,0|2,0,0]=4 12058 B19R2.101108 CC(C)(CSc1cccc(n1)N)c2ccccc2 62a_100000703224_100000740741 [0,2,0,0,0,0|2,0,0]=4 12059 B19R2.101108 CC(C)(CSc1cccc(n1)N)c2ccccc2 62a_100000740741_100000703224 [0,2,0,0,0,0|2,0,0]=4 12060 B19R2.101108 CC(O)(CNc1c[n+](ccn1)[O-])c2ccccc2 27a_100011660926_100009880115 [0,2,0,0,0,0|1,0,0]=3 12061 B19R2.101108 CC(O)(CNc1cc(ccn1)F)c2ccccc2 27a_100011660926_100000764206 [0,2,0,0,0,0|0,0,0]=2 12062 B19R2.101108 CC(O)(CNc1cc(ncn1)F)c2ccccc2 27a_100011660926_200009880791 [0,2,0,0,0,0|1,0,0]=3 12063 B19R2.101108 CC(O)(CNc1cc(ncn1)N)c2ccccc2 27a_100011660926_100000701291 [0,2,0,0,0,0|1,0,0]=3 12064 B19R2.101108 CC(O)(CNc1cc(ncn1)O)c2ccccc2 27a_100011660926_100000765262 [0,2,0,0,0,0|1,0,0]=3 12065 B19R2.101108 CC(O)(CNc1cc[nH]c(=O)c1)c2ccccc2 27a_100011660926_100000061649 [0,2,0,0,0,0|2,0,0]=4 12066 B19R2.101108 CC(O)(CNc1cc[nH]c(=O)n1)c2ccccc2 27a_100011660926_200000134032 [0,2,0,0,0,0|1,0,0]=3 12067 B19R2.101108 CC(O)(CNc1cccc(n1)F)c2ccccc2 27a_100011660926_100009815982 [0,2,0,0,0,0|0,0,0]=2 12068 B19R2.101108 CC(O)(CNc1ccnc(c1)F)c2ccccc2 27a_100011660926_100009816116 [0,2,0,0,0,0|2,0,0]=4 12069 B19R2.101108 CC(O)(CNc1ccnc(n1)N)c2ccccc2 27a_100011660926_100000055538 [0,2,0,0,0,0|1,0,0]=3 12070 B19R2.101108 CC(O)(CNc1cncc(n1)Cl)c2ccccc2 27a_100011660926_100010892449 [0,2,0,0,0,0|1,0,0]=3 12071 B19R2.101108 CC(O)(CNc1cncc(n1)F)c2ccccc2 27a_100011660926_200009863489 [0,2,0,0,0,0|1,0,0]=3 12072 B19R2.101108 CC(O)(CNc1nccc(n1)N)c2ccccc2 27a_100011660926_100000757536 [0,2,0,0,0,0|1,0,0]=3 12073 B19R2.101108 CC(O)(CNc1nccc(n1)O)c2ccccc2 27a_100011660926_100011649813 [0,2,0,0,0,0|1,0,0]=3 12074 B19R2.101108 CC(O)(CNc1ncnc(n1)N)c2ccccc2 27a_100011660926_100000123831 [0,2,0,0,0,0|2,0,0]=4 12075 B19R2.101108 Cc1cc(ccn1)NCC(C)(O)c2ccccc2 27a_100011660926_100000758586 [0,2,0,0,0,0|2,0,0]=4 12076 B19R2.101108 Cc1cc(ncn1)NCC(C)(C)c2ccccc2 27a_100011211644_100000744208 [0,2,0,0,0,0|2,0,0]=4 12077 B19R2.101108 Cc1cc(ncn1)NCC(C)(O)c2ccccc2 27a_100011660926_100000744208 [0,2,0,0,0,0|1,0,0]=3 12078 B19R2.101108 Cc1cc(ncn1)NCC(F)(F)c2ccccc2 27a_100000717977_100000744208 [0,2,0,0,0,0|2,0,0]=4 12079 B19R2.101108 Cc1cccc(c1)NCC(F)(F)c2ccccc2 34a_100000188690_100009875531 [0,2,0,0,0,0|2,0,0]=4 12080 B19R2.101108 Cc1cccc(n1)SCC(C)(C)c2ccccc2 62a_100000703224_100000742759 [0,2,0,0,0,0|2,0,0]=4 12081 B19R2.101108 Cc1cccc(n1)SCC(C)(C)c2ccccc2 62a_100000742759_100000703224 [0,2,0,0,0,0|2,0,0]=4 12082 B19R2.101108 Cc1cccc(n1)SCC(F)(F)c2ccccc2 62a_100000742759_100009875531 [0,2,0,0,0,0|2,0,0]=4 12083 B19R2.101108 Cc1cccc(n1)SCC(F)(F)c2ccccc2 62a_100009875531_100000742759 [0,2,0,0,0,0|2,0,0]=4 12084 B19R2.101108 Cc1ccnc(c1)SCC(C)(C)c2ccccc2 62a_100000703224_100000750283 [0,2,0,0,0,0|2,0,0]=4 12085 B19R2.101108 Cc1ccnc(c1)SCC(C)(C)c2ccccc2 62a_100000750283_100000703224 [0,2,0,0,0,0|2,0,0]=4 12086 B19R2.101108 Cc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100000750283_100009875531 [0,2,0,0,0,0|2,0,0]=4 12087 B19R2.101108 Cc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100009875531_100000750283 [0,2,0,0,0,0|2,0,0]=4 12088 B19R2.101108 Cc1ccnc(n1)NCC(C)(C)c2ccccc2 27a_100011211644_100000750684 [0,2,0,0,0,0|2,0,0]=4 12089 B19R2.101108 Cc1ccnc(n1)NCC(C)(O)c2ccccc2 27a_100011660926_100000750684 [0,2,0,0,0,0|1,0,0]=3 12090 B19R2.101108 Cc1ccnc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100000750684 [0,2,0,0,0,0|2,0,0]=4 12091 B19R2.101108 Cc1cncc(n1)NCC(C)(C)c2ccccc2 27a_100011211644_100000754123 [0,2,0,0,0,0|2,0,0]=4 12092 B19R2.101108 Cc1cncc(n1)NCC(C)(O)c2ccccc2 27a_100011660926_100000754123 [0,2,0,0,0,0|1,0,0]=3 12093 B19R2.101108 Cc1cncc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100000754123 [0,2,0,0,0,0|2,0,0]=4 12094 B19R2.101108 Cc1cnnc(c1)NCC(C)(C)c2ccccc2 27a_100011211644_100000070100 [0,2,0,0,0,0|2,0,0]=4 12095 B19R2.101108 Cc1cnnc(c1)NCC(C)(O)c2ccccc2 27a_100011660926_100000070100 [0,2,0,0,0,0|1,0,0]=3 12096 B19R2.101108 Cc1cnnc(c1)NCC(F)(F)c2ccccc2 27a_100000717977_100000070100 [0,2,0,0,0,0|2,0,0]=4 12097 B19R2.101108 Cc1nccc(n1)NCC(C)(C)c2ccccc2 27a_100011211644_100000749937 [0,2,0,0,0,0|2,0,0]=4 12098 B19R2.101108 Cc1nccc(n1)NCC(C)(O)c2ccccc2 27a_100011660926_100000749937 [0,2,0,0,0,0|1,0,0]=3 12099 B19R2.101108 Cc1nccc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100000749937 [0,2,0,0,0,0|2,0,0]=4 12100 B19R2.101108 FC(F)(CNc1cccc(c1)Br)c2ccccc2 34a_100000210019_100009875531 [0,2,0,0,0,0|2,0,0]=4 12101 B19R2.101108 FC(F)(CNc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100009875531 [0,2,0,0,0,0|2,0,0]=4 12102 B19R2.101108 FC(F)(CNc1cccc(c1)I)c2ccccc2 34a_100000211102_100009875531 [0,2,0,0,0,0|2,0,0]=4 12103 B19R2.101108 FC(F)(CNc1cncc(n1)Cl)c2ccccc2 27a_100000717977_100010892449 [0,2,0,0,0,0|2,0,0]=4 12104 B19R2.101108 FC(F)(CSc1cc(ccn1)Cl)c2ccccc2 62a_100009875531_100010167805 [0,2,0,0,0,0|2,0,0]=4 12105 B19R2.101108 FC(F)(CSc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100009875531 [0,2,0,0,0,0|2,0,0]=4 12106 B19R2.101108 FC(F)(CSc1cccc(n1)Br)c2ccccc2 62a_100000684672_100009875531 [0,2,0,0,0,0|2,0,0]=4 12107 B19R2.101108 FC(F)(CSc1cccc(n1)Br)c2ccccc2 62a_100009875531_100000684672 [0,2,0,0,0,0|2,0,0]=4 12108 B19R2.101108 FC(F)(CSc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100009875531 [0,2,0,0,0,0|2,0,0]=4 12109 B19R2.101108 FC(F)(CSc1cccc(n1)Cl)c2ccccc2 62a_100009875531_100000051397 [0,2,0,0,0,0|2,0,0]=4 12110 B19R2.101108 Fc1cc(ncn1)NCC(F)(F)c2ccccc2 27a_100000717977_200009880791 [0,2,0,0,0,0|2,0,0]=4 12111 B19R2.101108 Fc1cccc(c1)NCC(F)(F)c2ccccc2 34a_100000210047_100009875531 [0,2,0,0,0,0|2,0,0]=4 12112 B19R2.101108 Fc1cccc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100009815982 [0,2,0,0,0,0|1,0,0]=3 12113 B19R2.101108 Fc1cccc(n1)OCC(F)(F)c2ccccc2 34a_100011432558_100009875531 [0,2,0,0,0,0|2,0,0]=4 12114 B19R2.101108 Fc1cccc(n1)SCC(F)(F)c2ccccc2 62a_100009815982_100009875531 [0,2,0,0,0,0|2,0,0]=4 12115 B19R2.101108 Fc1cccc(n1)SCC(F)(F)c2ccccc2 62a_100009875531_100009815982 [0,2,0,0,0,0|2,0,0]=4 12116 B19R2.101108 Fc1ccnc(c1)NCC(F)(F)c2ccccc2 27a_100000717977_100000764206 [0,2,0,0,0,0|1,0,0]=3 12117 B19R2.101108 Fc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100000764206_100009875531 [0,2,0,0,0,0|2,0,0]=4 12118 B19R2.101108 Fc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100009875531_100000764206 [0,2,0,0,0,0|2,0,0]=4 12119 B19R2.101108 Fc1cncc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_200009863489 [0,2,0,0,0,0|2,0,0]=4 12120 B19R2.101108 Nc1cc(ncn1)NCC(F)(F)c2ccccc2 27a_100000717977_100000701291 [0,2,0,0,0,0|2,0,0]=4 12121 B19R2.101108 Nc1cccc(n1)SCC(F)(F)c2ccccc2 62a_100000740741_100009875531 [0,2,0,0,0,0|2,0,0]=4 12122 B19R2.101108 Nc1cccc(n1)SCC(F)(F)c2ccccc2 62a_100009875531_100000740741 [0,2,0,0,0,0|2,0,0]=4 12123 B19R2.101108 Nc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100009814236_100009875531 [0,2,0,0,0,0|2,0,0]=4 12124 B19R2.101108 Nc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100009875531_100009814236 [0,2,0,0,0,0|2,0,0]=4 12125 B19R2.101108 Nc1ccnc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100000757536 [0,2,0,0,0,0|2,0,0]=4 12126 B19R2.101108 Nc1nccc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100000055538 [0,2,0,0,0,0|2,0,0]=4 12127 B19R2.101108 O=c1nc(cc[nH]1)NCC(F)(F)c2ccccc2 27a_100000717977_200000134032 [0,2,0,0,0,0|2,0,0]=4 12128 B19R2.101108 Oc1cc(ncn1)NCC(F)(F)c2ccccc2 27a_100000717977_100000765262 [0,2,0,0,0,0|2,0,0]=4 12129 B19R2.101108 Oc1cccc(c1)NCC(F)(F)c2ccccc2 34a_100000210217_100009875531 [0,2,0,0,0,0|2,0,0]=4 12130 B19R2.101108 Oc1ccnc(c1)SCC(F)(F)c2ccccc2 62a_100009875531_100000762945 [0,2,0,0,0,0|2,0,0]=4 12131 B19R2.101108 Oc1ccnc(n1)NCC(F)(F)c2ccccc2 27a_100000717977_100011649813 [0,2,0,0,0,0|2,0,0]=4 12132 B19R2.101108 [O-][n+]1ccnc(c1)NCC(F)(F)c2ccccc2 27a_100000717977_100009880115 [0,2,0,0,0,0|2,0,0]=4 12133 B19R2.8927 C[C@](O)(C(=O)Cc1ccccn1)c2ccccc2 1458a_100000753667_100000721315 [0,2,0,0,0,0|1,0,1]=4 12134 B19R2.8927 C[C@](O)(C(=O)Nc1ccccc1)c2ccccc2 22a_100000106764_100000753667 [0,2,0,0,0,0|1,0,1]=4 12135 B19R2.9974 OC[C@@H](Nc1cccnn1)[C@H](O)c2ccccc2 27a_100000004308_100016991348 [0,2,0,0,0,0|1,0,0]=3 12136 B19R2.9974 OC[C@@H](Nc1ccncn1)[C@H](O)c2ccccc2 27a_100000004308_100000703185 [0,2,0,0,0,0|1,0,0]=3 12137 B19R2.9974 OC[C@@H](Nc1cnccn1)[C@H](O)c2ccccc2 27a_100000004308_100000211759 [0,2,0,0,0,0|1,0,0]=3 12138 B19R2.9974 OC[C@@H](Nc1ncccn1)[C@H](O)c2ccccc2 27a_100000004308_100000211032 [0,2,0,0,0,0|1,0,0]=3 12139 B17R2.45544 OC(CNCc1c[nH]cn1)c2ccccc2 2230a_100000210709_100000707719 [0,0,1,1,0,0|1,0,1]=4 12140 B17R2.45544 OC(CNCc1cc[nH]n1)c2ccccc2 207a_100000210709_100000738523 [0,0,1,1,0,0|1,0,1]=4 12141 B17R2.45544 OC(CNCc1cc[nH]n1)c2ccccc2 270004a_100000210709_100000738523 [0,0,1,1,0,0|1,0,1]=4 12142 B17R2.45544 OC(CNCc1ccco1)c2ccccc2 207a_100000210709_100000186105 [0,0,1,1,0,0|1,0,1]=4 12143 B17R2.45544 OC(CNCc1ccco1)c2ccccc2 2230a_100000185738_100000185958 [0,0,1,1,0,0|1,0,1]=4 12144 B17R2.45544 OC(CNCc1ccco1)c2ccccc2 270004a_100000210709_100000186105 [0,0,1,1,0,0|1,0,1]=4 12145 B17R2.45544 OC(CNCc1ccco1)c2ccccc2 34a_100000185738_100000185958 [0,0,1,1,0,0|1,0,1]=4 12146 B17R2.45544 OC(CNCc1cccs1)c2ccccc2 207a_100000210709_100000209959 [0,0,1,1,0,0|1,0,1]=4 12147 B17R2.45544 OC(CNCc1cccs1)c2ccccc2 2230a_100000211653_100000185958 [0,0,1,1,0,0|1,0,1]=4 12148 B17R2.45544 OC(CNCc1cccs1)c2ccccc2 270004a_100000210709_100000209959 [0,0,1,1,0,0|1,0,1]=4 12149 B17R2.45544 OC(CNCc1ccon1)c2ccccc2 2230a_100000210709_100000234950 [0,0,1,1,0,0|1,0,1]=4 12150 B17R2.45544 OC(CNCc1cocn1)c2ccccc2 270004a_100000210709_100000050382 [0,0,1,1,0,0|1,0,1]=4 12151 B17R2.45544 OC(CNCc1cscn1)c2ccccc2 207a_100000210709_100000743575 [0,0,1,1,0,0|1,0,1]=4 12152 B17R2.45544 OC(CNCc1cscn1)c2ccccc2 2230a_100000210709_100000205941 [0,0,1,1,0,0|1,0,1]=4 12153 B17R2.45544 OC(CNCc1cscn1)c2ccccc2 2230a_100015185402_100000185958 [0,0,1,1,0,0|1,0,1]=4 12154 B17R2.45544 OC(CNCc1cscn1)c2ccccc2 270004a_100000210709_100000743575 [0,0,1,1,0,0|1,0,1]=4 12155 B17R2.45544 OC(CNCc1ncc[nH]1)c2ccccc2 207a_100000210709_100000743867 [0,0,1,1,0,0|1,0,1]=4 12156 B17R2.45544 OC(CNCc1ncc[nH]1)c2ccccc2 2230a_100000210709_100016991755 [0,0,1,1,0,0|1,0,1]=4 12157 B17R2.45544 OC(CNCc1ncco1)c2ccccc2 2230a_100000210709_103436540062 [0,0,1,1,0,0|1,0,1]=4 12158 B17R2.45544 OC(CNCc1ncco1)c2ccccc2 2230a_100016994969_100000185958 [0,0,1,1,0,0|1,0,1]=4 12159 B17R2.45544 OC(CNCc1ncco1)c2ccccc2 270004a_100000210709_100000064290 [0,0,1,1,0,0|1,0,1]=4 12160 B17R2.45544 OC(CNCc1nccs1)c2ccccc2 207a_100000210709_100000750902 [0,0,1,1,0,0|1,0,1]=4 12161 B17R2.45544 OC(CNCc1nccs1)c2ccccc2 2230a_100000210709_100015184050 [0,0,1,1,0,0|1,0,1]=4 12162 B17R2.45544 OC(CNCc1nccs1)c2ccccc2 2230a_100000740555_100000185958 [0,0,1,1,0,0|1,0,1]=4 12163 B17R2.45544 OC(CNCc1nccs1)c2ccccc2 270004a_100000210709_100000750902 [0,0,1,1,0,0|1,0,1]=4 12164 B17R2.45544 O[C@H](CNCc1ccco1)c2ccccc2 2230a_100000185738_100011933945 [0,0,1,1,0,0|1,0,1]=4 12165 B17R2.45544 O[C@H](CNCc1ccco1)c2ccccc2 34a_100000185738_100011933945 [0,0,1,1,0,0|1,0,1]=4 12166 B17R2.45544 O[C@H](CNCc1cccs1)c2ccccc2 2230a_100000211653_100011933945 [0,0,1,1,0,0|1,0,1]=4 12167 B17R2.45544 O[C@H](CNCc1cscn1)c2ccccc2 2230a_100015185402_100011933945 [0,0,1,1,0,0|1,0,1]=4 12168 B17R2.45544 O[C@H](CNCc1ncco1)c2ccccc2 2230a_100016994969_100011933945 [0,0,1,1,0,0|1,0,1]=4 12169 B17R2.45544 O[C@H](CNCc1nccs1)c2ccccc2 2230a_100000740555_100011933945 [0,0,1,1,0,0|1,0,1]=4 12170 B17R2.2127 C=CC=CC(=O)N[C@H]1C[C@@H]1c2ccccc2 1626a_100020588832_100016291481 [0,0,1,1,0,0|2,0,0]=4 12171 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 271570a_100000695875_100000210277 [1,0,0,1,0,0|0,0,2]=4 12172 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 271570a_100011218836_100011934613 [1,0,0,1,0,0|0,0,2]=4 12173 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccn3 271570a_100011218836_100009888962 [1,0,0,1,0,0|1,0,1]=4 12174 B17R3.1939 c1ccc(cc1)OC2Cc3c2cccc3 7a_100000210340_100009813401 [1,0,0,1,0,0|2,0,0]=4 12175 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100000719477_100009813401 [1,0,0,1,0,0|2,0,0]=4 12176 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100009813401_100000041952 [1,0,0,1,0,0|2,0,0]=4 12177 B17R3.1939 c1ccc(nc1)SC2Cc3c2cccc3 62a_100009813401_100011216584 [1,0,0,1,0,0|1,0,0]=3 12178 B17R3.1939 c1ccc(nc1)SC2Cc3c2cccc3 62a_100011216584_100009813401 [1,0,0,1,0,0|1,0,0]=3 12179 B17R3.1939 c1ccc2c(c1)CC2Sc3ccncn3 62a_100000703185_100009813401 [1,0,0,1,0,0|2,0,0]=4 12180 B17R3.1939 c1ccc2c(c1)CC2Sc3ccncn3 62a_100009813401_100000703185 [1,0,0,1,0,0|2,0,0]=4 12181 B17R3.1939 c1ccc2c(c1)CC2Sc3cnccn3 62a_100000211759_100009813401 [1,0,0,1,0,0|2,0,0]=4 12182 B17R3.1939 c1ccc2c(c1)CC2Sc3cnccn3 62a_100009813401_100000211759 [1,0,0,1,0,0|2,0,0]=4 12183 B17R3.1939 c1cnc(nc1)SC2Cc3c2cccc3 62a_100000211032_100009813401 [1,0,0,1,0,0|2,0,0]=4 12184 B17R3.1939 c1cnc(nc1)SC2Cc3c2cccc3 62a_100009813401_100000211032 [1,0,0,1,0,0|2,0,0]=4 12185 B17R3.1939 c1cnnc(c1)SC2Cc3c2cccc3 62a_100009813401_100016991348 [1,0,0,1,0,0|2,0,0]=4 12186 B17R3.1939 c1cnnc(c1)SC2Cc3c2cccc3 62a_100016991348_100009813401 [1,0,0,1,0,0|2,0,0]=4 12187 B17R3.8708 c1ccc(cc1)c2cc3cccnc3[nH]2 271570a_100011218836_100010079843 [0,0,0,1,1,0|1,0,1]=4 12188 B19R3.288 O[C@@H]1Cc2ccccc2[C@@H]1Nc3cccnn3 27a_100000744645_100016991348 [0,0,0,1,0,1|1,0,0]=3 12189 B19R3.288 O[C@@H]1Cc2ccccc2[C@@H]1Nc3ccncn3 27a_100000744645_100000703185 [0,0,0,1,0,1|1,0,0]=3 12190 B19R3.288 O[C@@H]1Cc2ccccc2[C@@H]1Nc3cnccn3 27a_100000744645_100000211759 [0,0,0,1,0,1|1,0,0]=3 12191 B19R3.288 O[C@@H]1Cc2ccccc2[C@@H]1Nc3ncccn3 27a_100000744645_100000211032 [0,0,0,1,0,1|1,0,0]=3 12192 B19R3.19255 c1ccc(cc1)NCc2cc3ccccc3o2 207a_100000106764_100000229944 [0,0,0,1,0,1|1,0,1]=4 12193 B19R3.19255 c1ccc(cc1)NCc2cc3ccccc3o2 270302a_100000106764_100000229944 [0,0,0,1,0,1|1,0,1]=4 12194 B19R3.19255 c1ccc(cc1)NCc2nc3ccccc3o2 34a_100000106764_200012361514 [0,0,0,1,0,1|1,0,1]=4 12195 B19R3.19255 c1ccc(nc1)SCc2nc3ccccc3o2 62a_100011216584_100000195508 [0,0,0,1,0,1|1,0,1]=4 12196 B19R3.19255 c1ccc2c(c1)CC(C2)CNc3ccncn3 27a_100000757167_100000703185 [0,0,0,1,0,1|2,0,0]=4 12197 B19R3.19255 c1ccc2c(c1)CC(C2)CNc3cnccn3 27a_100000757167_100000211759 [0,0,0,1,0,1|2,0,0]=4 12198 B19R3.19255 c1ccc2c(c1)CC(O2)CNc3ccncn3 27a_100015207006_100000703185 [0,0,0,1,0,1|1,0,0]=3 12199 B19R3.19255 c1ccc2c(c1)CC(O2)CNc3cnccn3 27a_100015207006_100000211759 [0,0,0,1,0,1|1,0,0]=3 12200 B19R3.19255 c1ccc2oc(cc2c1)CNc3ccncn3 27a_100011220112_100000703185 [0,0,0,1,0,1|1,0,1]=4 12201 B19R3.19255 c1ccc2oc(cc2c1)CNc3cnccn3 27a_100011220112_100000211759 [0,0,0,1,0,1|1,0,1]=4 12202 B19R3.19255 c1cnc(nc1)NCC2Cc3ccccc3C2 27a_100000757167_100000211032 [0,0,0,1,0,1|2,0,0]=4 12203 B19R3.19255 c1cnc(nc1)NCC2Cc3ccccc3O2 27a_100015207006_100000211032 [0,0,0,1,0,1|1,0,0]=3 12204 B19R3.19255 c1cnc(nc1)NCc2cc3ccccc3o2 27a_100011220112_100000211032 [0,0,0,1,0,1|1,0,1]=4 12205 B19R3.19255 c1cnnc(c1)NCC2Cc3ccccc3C2 27a_100000757167_100016991348 [0,0,0,1,0,1|2,0,0]=4 12206 B19R3.19255 c1cnnc(c1)NCC2Cc3ccccc3O2 27a_100015207006_100016991348 [0,0,0,1,0,1|1,0,0]=3 12207 B19R3.19255 c1cnnc(c1)NCc2cc3ccccc3o2 27a_100011220112_100016991348 [0,0,0,1,0,1|1,0,1]=4 12208 B19R3.19273 c1ccc(cc1)OC2CN(C2)c3cccnn3 27a_100000751016_100016991348 [0,0,0,1,0,1|2,0,0]=4 12209 B19R3.19273 c1ccc(cc1)OC2CN(C2)c3ccncn3 27a_100000751016_100000703185 [0,0,0,1,0,1|2,0,0]=4 12210 B19R3.19273 c1ccc(cc1)OC2CN(C2)c3cnccn3 27a_100000751016_100000211759 [0,0,0,1,0,1|2,0,0]=4 12211 B19R3.19273 c1ccc(cc1)OC2CN(C2)c3ncccn3 27a_100000751016_100000211032 [0,0,0,1,0,1|2,0,0]=4 12212 B19R3.27 c1ccc(cc1)C2CCN(C2)c3cccnn3 27a_100000747531_100016991348 [0,0,0,1,0,1|2,0,0]=4 12213 B19R3.27 c1ccc(cc1)C2CCN(C2)c3ccncn3 27a_100000747531_100000703185 [0,0,0,1,0,1|2,0,0]=4 12214 B19R3.27 c1ccc(cc1)C2CCN(C2)c3cnccn3 27a_100000747531_100000211759 [0,0,0,1,0,1|2,0,0]=4 12215 B19R3.27 c1ccc(cc1)C2CCN(C2)c3ncccn3 27a_100000747531_100000211032 [0,0,0,1,0,1|2,0,0]=4 12216 B19R3.2382 c1ccc(nc1)CCSC2Cc3c2cccc3 62a_100009813401_100015183660 [0,0,0,1,0,1|2,0,0]=4 12217 B19R3.2382 c1ccc(nc1)CCSC2Cc3c2cccc3 62a_100015183660_100009813401 [0,0,0,1,0,1|2,0,0]=4 12218 B19R3.2382 c1ccc(nc1)COCC2Cc3c2cccc3 34a_100012476685_100000721315 [0,0,0,1,0,1|2,0,0]=4 12219 B19R3.2382 c1ccc(nc1)COCC2Cc3c2cccc3 7a_100012476685_100000721315 [0,0,0,1,0,1|2,0,0]=4 12220 B19R3.3821 Brc1ccc(cc1)C2CC2Nc3cccnn3 27a_100000755575_100016991348 [0,1,0,1,0,0|2,0,0]=4 12221 B19R3.3821 Brc1ccc(cc1)C2CC2Nc3ccncn3 27a_100000755575_100000703185 [0,1,0,1,0,0|2,0,0]=4 12222 B19R3.3821 Brc1ccc(cc1)C2CC2Nc3cnccn3 27a_100000755575_100000211759 [0,1,0,1,0,0|2,0,0]=4 12223 B19R3.3821 Brc1ccc(cc1)C2CC2Nc3ncccn3 27a_100000755575_100000211032 [0,1,0,1,0,0|2,0,0]=4 12224 B19R3.3837 Brc1ccc(nc1)N2CC(C2)c3cccnc3 27a_100015183634_100000686858 [0,1,0,1,0,0|2,0,0]=4 12225 B19R3.3837 Brc1ccc(nc1)N2CC(C2)c3ccncc3 27a_100015185986_100000686858 [0,1,0,1,0,0|2,0,0]=4 12226 B19R3.13071 Brc1ccc(nc1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000686858 [0,1,0,1,0,0|1,0,0]=3 12227 B19R3.13071 Brc1cnc(cn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100010187541 [0,1,0,1,0,0|2,0,0]=4 12228 B19R3.13071 Brc1cnc(nc1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000690281 [0,1,0,1,0,0|2,0,0]=4 12229 B19R3.13071 Cc1ccc(nn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000744512 [0,1,0,1,0,0|2,0,0]=4 12230 B19R3.13071 Cc1cnc(cn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000074397 [0,1,0,1,0,0|2,0,0]=4 12231 B19R3.13071 Cc1cnc(nc1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000061069 [0,1,0,1,0,0|2,0,0]=4 12232 B19R3.13071 Clc1cnc(nc1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100011356929 [0,1,0,1,0,0|2,0,0]=4 12233 B19R3.13071 Fc1cnc(cn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100009856528 [0,1,0,1,0,0|2,0,0]=4 12234 B19R3.13071 Fc1cnc(nc1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000685220 [0,1,0,1,0,0|2,0,0]=4 12235 B19R3.2370 c1ccc(cc1)NCc2coc3c2cccc3 207a_100000106764_100000688544 [0,1,0,1,0,0|1,0,1]=4 12236 B19R3.2370 c1ccc(cc1)NCc2coc3c2cccc3 270302a_100000106764_100000688544 [0,1,0,1,0,0|1,0,1]=4 12237 B19R3.2370 c1ccc(cc1)NCc2noc3c2cccc3 34a_100000106764_100009813815 [0,1,0,1,0,0|1,0,1]=4 12238 B19R3.2370 c1ccc(nc1)CNC2COc3c2cccc3 207a_100000747519_100000209966 [0,1,0,1,0,0|2,0,0]=4 12239 B19R3.2370 c1ccc(nc1)CNC2COc3c2cccc3 2230a_100000747519_100000721315 [0,1,0,1,0,0|2,0,0]=4 12240 B19R3.2370 c1ccc(nc1)CNC2COc3c2cccc3 270004a_100000747519_100000209966 [0,1,0,1,0,0|2,0,0]=4 12241 B19R3.2370 c1ccc(nc1)NN=C2COc3c2cccc3 4a_100000183288_100000185568 [0,1,0,1,0,0|1,0,1]=4 12242 B19R3.2370 c1ccc(nc1)SCc2noc3c2cccc3 62a_100009813815_100011216584 [0,1,0,1,0,0|1,0,1]=4 12243 B19R3.2370 c1ccc(nc1)SCc2noc3c2cccc3 62a_100011216584_100009813815 [0,1,0,1,0,0|1,0,1]=4 12244 B19R3.2370 c1ccc2c(c1)CCC2CNc3ccncn3 27a_100020632452_100000703185 [0,1,0,1,0,0|2,0,0]=4 12245 B19R3.2370 c1ccc2c(c1)CCC2CNc3cnccn3 27a_100020632452_100000211759 [0,1,0,1,0,0|2,0,0]=4 12246 B19R3.2370 c1cnc(nc1)NCC2CCc3c2cccc3 27a_100020632452_100000211032 [0,1,0,1,0,0|2,0,0]=4 12247 B19R3.2370 c1cnnc(c1)NCC2CCc3c2cccc3 27a_100020632452_100016991348 [0,1,0,1,0,0|2,0,0]=4 12248 B19R3.19209 c1ccc(cc1)C2(CC2)CNc3cccnn3 27a_100000242008_100016991348 [0,1,0,1,0,0|2,0,0]=4 12249 B19R3.19209 c1ccc(cc1)C2(CC2)CNc3ccncn3 27a_100000242008_100000703185 [0,1,0,1,0,0|2,0,0]=4 12250 B19R3.19209 c1ccc(cc1)C2(CC2)CNc3cnccn3 27a_100000242008_100000211759 [0,1,0,1,0,0|2,0,0]=4 12251 B19R3.19209 c1ccc(cc1)C2(CC2)CNc3ncccn3 27a_100000242008_100000211032 [0,1,0,1,0,0|2,0,0]=4 12252 B19R3.4319 OC1(CN(C1)c2cccnn2)c3ccccc3 27a_100000717221_100016991348 [0,1,0,1,0,0|1,0,0]=3 12253 B19R3.4319 OC1(CN(C1)c2ccncn2)c3ccccc3 27a_100000717221_100000703185 [0,1,0,1,0,0|1,0,0]=3 12254 B19R3.4319 OC1(CN(C1)c2cnccn2)c3ccccc3 27a_100000717221_100000211759 [0,1,0,1,0,0|1,0,0]=3 12255 B19R3.4319 OC1(CN(C1)c2ncccn2)c3ccccc3 27a_100000717221_100000211032 [0,1,0,1,0,0|1,0,0]=3 12256 B19R3.9171 CC1CN(Cc2c1cccc2)c3cccnn3 27a_100015190047_100016991348 [0,1,0,1,0,0|2,0,0]=4 12257 B19R3.9171 CC1CN(Cc2c1cccc2)c3ccncn3 27a_100015190047_100000703185 [0,1,0,1,0,0|2,0,0]=4 12258 B19R3.9171 CC1CN(Cc2c1cccc2)c3cnccn3 27a_100015190047_100000211759 [0,1,0,1,0,0|2,0,0]=4 12259 B19R3.9171 CC1CN(Cc2c1cccc2)c3ncccn3 27a_100015190047_100000211032 [0,1,0,1,0,0|2,0,0]=4 12260 B19R3.5492 Brc1cccnc1N2CC(C2)c3cccnc3 27a_100015183634_100000696092 [0,1,0,1,0,0|2,0,0]=4 12261 B19R3.5492 Brc1cccnc1N2CC(C2)c3ccncc3 27a_100015185986_100000696092 [0,1,0,1,0,0|2,0,0]=4 12262 B19R3.9144 Brc1cccnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000696092 [0,1,0,1,0,0|1,0,0]=3 12263 B19R3.9144 Cc1ccnnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000089043 [0,1,0,1,0,0|2,0,0]=4 12264 B19R3.9144 Cc1cncnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100011998708 [0,1,0,1,0,0|2,0,0]=4 12265 B19R3.9144 Cc1nccnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100011999405 [0,1,0,1,0,0|2,0,0]=4 12266 B19R3.9144 Fc1cncnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000069762 [0,1,0,1,0,0|2,0,0]=4 12267 B19R3.9144 Fc1nccnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_200010125657 [0,1,0,1,0,0|2,0,0]=4 12268 B19R3.9144 Nc1cncnc1N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000709731 [0,1,0,1,0,0|2,0,0]=4 12269 B19R3.182 OC1c2ccccc2CC1Nc3ccccc3 34a_100000106764_100000211646 [0,1,0,1,0,0|1,0,0]=3 12270 B19R3.182 OC1c2ccccc2CC1Oc3ccccc3 34a_100000210340_100000211646 [0,1,0,1,0,0|2,0,0]=4 12271 B19R3.182 OC1c2ccccc2CC1Sc3ccccc3 62a_100000211646_100000041952 [0,1,0,1,0,0|2,0,0]=4 12272 B19R3.182 OC1c2ccccc2CC1Sc3ccccc3 62a_100000719477_100000211646 [0,1,0,1,0,0|2,0,0]=4 12273 B19R3.182 OC1c2ccccc2CC1Sc3ccccn3 62a_100000211646_100011216584 [0,1,0,1,0,0|1,0,0]=3 12274 B19R3.182 OC1c2ccccc2CC1Sc3ccccn3 62a_100011216584_100000211646 [0,1,0,1,0,0|1,0,0]=3 12275 B19R3.182 OC1c2ccccc2CC1Sc3cccnn3 62a_100000211646_100016991348 [0,1,0,1,0,0|2,0,0]=4 12276 B19R3.182 OC1c2ccccc2CC1Sc3cccnn3 62a_100016991348_100000211646 [0,1,0,1,0,0|2,0,0]=4 12277 B19R3.182 OC1c2ccccc2CC1Sc3ccncn3 62a_100000211646_100000703185 [0,1,0,1,0,0|2,0,0]=4 12278 B19R3.182 OC1c2ccccc2CC1Sc3ccncn3 62a_100000703185_100000211646 [0,1,0,1,0,0|2,0,0]=4 12279 B19R3.182 OC1c2ccccc2CC1Sc3cnccn3 62a_100000211646_100000211759 [0,1,0,1,0,0|2,0,0]=4 12280 B19R3.182 OC1c2ccccc2CC1Sc3cnccn3 62a_100000211759_100000211646 [0,1,0,1,0,0|2,0,0]=4 12281 B19R3.182 OC1c2ccccc2CC1Sc3ncccn3 62a_100000211032_100000211646 [0,1,0,1,0,0|2,0,0]=4 12282 B19R3.182 OC1c2ccccc2CC1Sc3ncccn3 62a_100000211646_100000211032 [0,1,0,1,0,0|2,0,0]=4 12283 B19R3.5481 Fc1ccccc1C2CC2Nc3cccnn3 27a_100000753450_100016991348 [0,1,0,1,0,0|2,0,0]=4 12284 B19R3.5481 Fc1ccccc1C2CC2Nc3ccncn3 27a_100000753450_100000703185 [0,1,0,1,0,0|2,0,0]=4 12285 B19R3.5481 Fc1ccccc1C2CC2Nc3cnccn3 27a_100000753450_100000211759 [0,1,0,1,0,0|2,0,0]=4 12286 B19R3.5481 Fc1ccccc1C2CC2Nc3ncccn3 27a_100000753450_100000211032 [0,1,0,1,0,0|2,0,0]=4 12287 B19R3.3940 Fc1cccc(n1)N2CC(C2)c3cccnc3 27a_100015183634_100009815982 [0,1,0,1,0,0|2,0,0]=4 12288 B19R3.3940 Fc1cccc(n1)N2CC(C2)c3ccncc3 27a_100015185986_100009815982 [0,1,0,1,0,0|2,0,0]=4 12289 B19R3.3940 Fc1ccnc(c1)N2CC(C2)c3cccnc3 27a_100015183634_100000764206 [0,1,0,1,0,0|2,0,0]=4 12290 B19R3.3940 Fc1ccnc(c1)N2CC(C2)c3ccncc3 27a_100015185986_100000764206 [0,1,0,1,0,0|2,0,0]=4 12291 B19R3.3969 Cc1cc(ncn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000744208 [0,1,0,1,0,0|2,0,0]=4 12292 B19R3.3969 Cc1ccnc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000750684 [0,1,0,1,0,0|2,0,0]=4 12293 B19R3.3969 Cc1cncc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000754123 [0,1,0,1,0,0|2,0,0]=4 12294 B19R3.3969 Cc1cnnc(c1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000070100 [0,1,0,1,0,0|2,0,0]=4 12295 B19R3.3969 Cc1nccc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000749937 [0,1,0,1,0,0|2,0,0]=4 12296 B19R3.3969 Clc1cncc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100010892449 [0,1,0,1,0,0|2,0,0]=4 12297 B19R3.3969 Fc1cc(ncn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_200009880791 [0,1,0,1,0,0|2,0,0]=4 12298 B19R3.3969 Fc1cccc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100009815982 [0,1,0,1,0,0|1,0,0]=3 12299 B19R3.3969 Fc1ccnc(c1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000764206 [0,1,0,1,0,0|1,0,0]=3 12300 B19R3.3969 Fc1cncc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_200009863489 [0,1,0,1,0,0|2,0,0]=4 12301 B19R3.3969 Nc1cc(ncn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000701291 [0,1,0,1,0,0|2,0,0]=4 12302 B19R3.3969 Nc1ccnc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000757536 [0,1,0,1,0,0|2,0,0]=4 12303 B19R3.3969 Nc1nccc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000055538 [0,1,0,1,0,0|2,0,0]=4 12304 B19R3.3969 O=c1nc(cc[nH]1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_200000134032 [0,1,0,1,0,0|2,0,0]=4 12305 B19R3.3969 Oc1cc(ncn1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100000765262 [0,1,0,1,0,0|2,0,0]=4 12306 B19R3.3969 Oc1ccnc(n1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100011649813 [0,1,0,1,0,0|2,0,0]=4 12307 B19R3.3969 [O-][n+]1ccnc(c1)N[C@H]2C[C@@H]2c3ccccc3 27a_100020588832_100009880115 [0,1,0,1,0,0|2,0,0]=4 12308 B15R1.115 C=CC=CC(=O)CC(C)c1ccccc1 1458a_100016291481_100000756946 [0,0,1,0,1,0|2,0,0]=4 12309 B15R1.115 C=CC=CC(=O)CC(O)c1ccccc1 1458a_100016291481_100000185958 [0,0,1,0,1,0|1,0,0]=3 12310 B15R1.115 C=CC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100016291481_100011933945 [0,0,1,0,1,0|1,0,0]=3 12311 B15R1.115 C=CC=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100016291481 [0,0,1,0,1,0|2,0,0]=4 12312 B15R2.2195 C(#Cc1ccccn1)c2ccccc2 271570a_100000069678_100011216584 [1,0,0,0,1,0|0,0,2]=4 12313 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [1,0,0,0,1,0|0,0,2]=4 12314 B15R2.2195 c1cc(ccn1)CNc2ccncn2 27a_100000210450_100000703185 [1,0,0,0,1,0|2,0,0]=4 12315 B15R2.2195 c1cc(ccn1)CNc2cnccn2 27a_100000210450_100000211759 [1,0,0,0,1,0|2,0,0]=4 12316 B15R2.2195 c1ccc(cc1)CNc2ccccc2 207a_100000106764_100015611070 [1,0,0,0,1,0|1,0,0]=3 12317 B15R2.2195 c1ccc(cc1)CNc2ccccc2 270302a_100000106764_100015611070 [1,0,0,0,1,0|1,0,0]=3 12318 B15R2.2195 c1ccc(cc1)CNc2ccccc2 34a_100000106764_100015291786 [1,0,0,0,1,0|1,0,0]=3 12319 B15R2.2195 c1ccc(cc1)CNc2cccnn2 27a_100015324214_100016991348 [1,0,0,0,1,0|1,0,0]=3 12320 B15R2.2195 c1ccc(cc1)CNc2ccncn2 27a_100015324214_100000703185 [1,0,0,0,1,0|1,0,0]=3 12321 B15R2.2195 c1ccc(cc1)CNc2cnccn2 27a_100015324214_100000211759 [1,0,0,0,1,0|1,0,0]=3 12322 B15R2.2195 c1ccc(cc1)CNc2ncccn2 27a_100015324214_100000211032 [1,0,0,0,1,0|1,0,0]=3 12323 B15R2.2195 c1ccc(cc1)COc2ccccc2 34a_100000210340_100015291786 [1,0,0,0,1,0|2,0,0]=4 12324 B15R2.2195 c1ccc(cc1)COc2ccccc2 7a_100000210340_100000211182 [1,0,0,0,1,0|2,0,0]=4 12325 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000211182_100000041952 [1,0,0,0,1,0|2,0,0]=4 12326 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000719477_100015291786 [1,0,0,0,1,0|2,0,0]=4 12327 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100000211182_100011216584 [1,0,0,0,1,0|1,0,0]=3 12328 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100011216584_100015291786 [1,0,0,0,1,0|1,0,0]=3 12329 B15R2.2195 c1ccc(cc1)CSc2cccnn2 62a_100000211182_100016991348 [1,0,0,0,1,0|2,0,0]=4 12330 B15R2.2195 c1ccc(cc1)CSc2cccnn2 62a_100016991348_100015291786 [1,0,0,0,1,0|2,0,0]=4 12331 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000211182_100000703185 [1,0,0,0,1,0|2,0,0]=4 12332 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000703185_100015291786 [1,0,0,0,1,0|2,0,0]=4 12333 B15R2.2195 c1ccc(cc1)CSc2cnccn2 62a_100000211182_100000211759 [1,0,0,0,1,0|2,0,0]=4 12334 B15R2.2195 c1ccc(cc1)CSc2cnccn2 62a_100000211759_100015291786 [1,0,0,0,1,0|2,0,0]=4 12335 B15R2.2195 c1ccc(cc1)CSc2ncccn2 62a_100000211032_100015291786 [1,0,0,0,1,0|2,0,0]=4 12336 B15R2.2195 c1ccc(cc1)CSc2ncccn2 62a_100000211182_100000211032 [1,0,0,0,1,0|2,0,0]=4 12337 B15R2.2195 c1ccc(cc1)NCc2ccccn2 207a_100000106764_100000209966 [1,0,0,0,1,0|1,0,0]=3 12338 B15R2.2195 c1ccc(cc1)NCc2ccccn2 270302a_100000106764_100000209966 [1,0,0,0,1,0|1,0,0]=3 12339 B15R2.2195 c1ccc(cc1)NCc2ccccn2 34a_100000106764_100000721315 [1,0,0,0,1,0|1,0,0]=3 12340 B15R2.2195 c1ccc(cc1)NCc2cccnc2 207a_100000106764_100000209961 [1,0,0,0,1,0|2,0,0]=4 12341 B15R2.2195 c1ccc(cc1)NCc2cccnc2 270302a_100000106764_100000209961 [1,0,0,0,1,0|2,0,0]=4 12342 B15R2.2195 c1ccc(cc1)NCc2cccnc2 34a_100000106764_100000733263 [1,0,0,0,1,0|2,0,0]=4 12343 B15R2.2195 c1ccc(cc1)NCc2cccnn2 34a_100000106764_100016990269 [1,0,0,0,1,0|2,0,0]=4 12344 B15R2.2195 c1ccc(cc1)NCc2ccncc2 207a_100000106764_100000186114 [1,0,0,0,1,0|2,0,0]=4 12345 B15R2.2195 c1ccc(cc1)NCc2cnccn2 34a_100000106764_100016995436 [1,0,0,0,1,0|2,0,0]=4 12346 B15R2.2195 c1ccc(cc1)NCc2ncccn2 34a_100000106764_100000703007 [1,0,0,0,1,0|2,0,0]=4 12347 B15R2.2195 c1ccc(cc1)OCc2ccccn2 34a_100000210340_100000721315 [1,0,0,0,1,0|1,0,0]=3 12348 B15R2.2195 c1ccc(cc1)OCc2ccccn2 7a_100000210340_100000721315 [1,0,0,0,1,0|1,0,0]=3 12349 B15R2.2195 c1ccc(cc1)OCc2cccnn2 34a_100000210340_100016990269 [1,0,0,0,1,0|2,0,0]=4 12350 B15R2.2195 c1ccc(cc1)OCc2cccnn2 7a_100000210340_100016990269 [1,0,0,0,1,0|2,0,0]=4 12351 B15R2.2195 c1ccc(cc1)OCc2cnccn2 34a_100000210340_100016995436 [1,0,0,0,1,0|2,0,0]=4 12352 B15R2.2195 c1ccc(cc1)OCc2cnccn2 7a_100000210340_100016995436 [1,0,0,0,1,0|2,0,0]=4 12353 B15R2.2195 c1ccc(cc1)OCc2ncccn2 34a_100000210340_100000703007 [1,0,0,0,1,0|2,0,0]=4 12354 B15R2.2195 c1ccc(cc1)OCc2ncccn2 7a_100000210340_100000703007 [1,0,0,0,1,0|2,0,0]=4 12355 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000719477_100000721315 [1,0,0,0,1,0|1,0,0]=3 12356 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000721315_100000041952 [1,0,0,0,1,0|1,0,0]=3 12357 B15R2.2195 c1ccc(cc1)SCc2cccnn2 62a_100000719477_100016990269 [1,0,0,0,1,0|2,0,0]=4 12358 B15R2.2195 c1ccc(cc1)SCc2cccnn2 62a_100016990269_100000041952 [1,0,0,0,1,0|2,0,0]=4 12359 B15R2.2195 c1ccc(cc1)SCc2cnccn2 62a_100000719477_100016995436 [1,0,0,0,1,0|2,0,0]=4 12360 B15R2.2195 c1ccc(cc1)SCc2cnccn2 62a_100016995436_100000041952 [1,0,0,0,1,0|2,0,0]=4 12361 B15R2.2195 c1ccc(cc1)SCc2ncccn2 62a_100000703007_100000041952 [1,0,0,0,1,0|2,0,0]=4 12362 B15R2.2195 c1ccc(cc1)SCc2ncccn2 62a_100000719477_100000703007 [1,0,0,0,1,0|2,0,0]=4 12363 B15R2.2195 c1ccc(nc1)CNc2cccnn2 27a_100000210449_100016991348 [1,0,0,0,1,0|2,0,0]=4 12364 B15R2.2195 c1ccc(nc1)CNc2ccncn2 27a_100000210449_100000703185 [1,0,0,0,1,0|2,0,0]=4 12365 B15R2.2195 c1ccc(nc1)CNc2cnccn2 27a_100000210449_100000211759 [1,0,0,0,1,0|2,0,0]=4 12366 B15R2.2195 c1ccc(nc1)CNc2ncccn2 27a_100000210449_100000211032 [1,0,0,0,1,0|2,0,0]=4 12367 B15R2.2195 c1ccc(nc1)COc2cccnc2 34a_100000210849_100000721315 [1,0,0,0,1,0|2,0,0]=4 12368 B15R2.2195 c1ccc(nc1)COc2cccnc2 7a_100000210849_100000721315 [1,0,0,0,1,0|2,0,0]=4 12369 B15R2.2195 c1ccc(nc1)COc2ccncc2 34a_100000212176_100000721315 [1,0,0,0,1,0|2,0,0]=4 12370 B15R2.2195 c1ccc(nc1)CSc2ccccn2 62a_100000721315_100011216584 [1,0,0,0,1,0|2,0,0]=4 12371 B15R2.2195 c1ccc(nc1)CSc2ccccn2 62a_100011216584_100000721315 [1,0,0,0,1,0|2,0,0]=4 12372 B15R2.2195 c1ccc(nc1)CSc2cccnc2 62a_100000210063_100000721315 [1,0,0,0,1,0|2,0,0]=4 12373 B15R2.2195 c1ccc(nc1)CSc2cccnc2 62a_100000721315_100000210063 [1,0,0,0,1,0|2,0,0]=4 12374 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000721315_100000728582 [1,0,0,0,1,0|2,0,0]=4 12375 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000728582_100000721315 [1,0,0,0,1,0|2,0,0]=4 12376 B15R2.2195 c1ccc(nc1)SCc2cccnc2 62a_100000741622_100011216584 [1,0,0,0,1,0|2,0,0]=4 12377 B15R2.2195 c1ccc(nc1)SCc2cccnc2 62a_100011216584_100000741622 [1,0,0,0,1,0|2,0,0]=4 12378 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100011216584_100015193705 [1,0,0,0,1,0|2,0,0]=4 12379 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100015193705_100011216584 [1,0,0,0,1,0|2,0,0]=4 12380 B15R2.2195 c1cnc(nc1)NCc2cccnc2 27a_100000210453_100000211032 [1,0,0,0,1,0|2,0,0]=4 12381 B15R2.2195 c1cnc(nc1)NCc2ccncc2 27a_100000210450_100000211032 [1,0,0,0,1,0|2,0,0]=4 12382 B15R2.2195 c1cncc(c1)CNc2cccnn2 27a_100000210453_100016991348 [1,0,0,0,1,0|2,0,0]=4 12383 B15R2.2195 c1cncc(c1)CNc2ccncn2 27a_100000210453_100000703185 [1,0,0,0,1,0|2,0,0]=4 12384 B15R2.2195 c1cncc(c1)CNc2cnccn2 27a_100000210453_100000211759 [1,0,0,0,1,0|2,0,0]=4 12385 B15R2.2195 c1cnnc(c1)NCc2ccncc2 27a_100000210450_100016991348 [1,0,0,0,1,0|2,0,0]=4 12386 B15R2.2196 c1cc(ncn1)NCCc2ccsc2 27a_100000692642_100000703185 [1,0,0,0,1,0|2,0,0]=4 12387 B15R2.2196 c1ccc(cc1)CCNc2ncns2 27a_100000106460_100000693119 [1,0,0,0,1,0|2,0,0]=4 12388 B15R2.2196 c1ccc(cc1)CCNc2nncs2 27a_100000106460_100000739804 [1,0,0,0,1,0|2,0,0]=4 12389 B15R2.2196 c1ccc(cc1)CCOc2ccsc2 34a_100000106738_100000765856 [1,0,0,0,1,0|2,0,0]=4 12390 B15R2.2196 c1ccc(cc1)CCOc2ccsc2 7a_100000106738_100000765856 [1,0,0,0,1,0|2,0,0]=4 12391 B15R2.2196 c1ccc(cc1)CCSc2c[nH]cn2 62a_100000756875_100011218657 [1,0,0,0,1,0|2,0,0]=4 12392 B15R2.2196 c1ccc(cc1)CCSc2c[nH]cn2 62a_100000765856_100000756875 [1,0,0,0,1,0|2,0,0]=4 12393 B15R2.2196 c1ccc(cc1)CCSc2cc[nH]n2 62a_100000062575_100011218657 [1,0,0,0,1,0|2,0,0]=4 12394 B15R2.2196 c1ccc(cc1)CCSc2cc[nH]n2 62a_100000765856_100000062575 [1,0,0,0,1,0|2,0,0]=4 12395 B15R2.2196 c1ccc(cc1)CCSc2ccco2 62a_100000765856_100009814098 [1,0,0,0,1,0|2,0,0]=4 12396 B15R2.2196 c1ccc(cc1)CCSc2ccco2 62a_100009814098_100011218657 [1,0,0,0,1,0|2,0,0]=4 12397 B15R2.2196 c1ccc(cc1)CCSc2cccs2 62a_100000765856_100011215356 [1,0,0,0,1,0|2,0,0]=4 12398 B15R2.2196 c1ccc(cc1)CCSc2cccs2 62a_100011215356_100011218657 [1,0,0,0,1,0|2,0,0]=4 12399 B15R2.2196 c1ccc(cc1)CCSc2ccoc2 62a_100000765856_100011215275 [1,0,0,0,1,0|2,0,0]=4 12400 B15R2.2196 c1ccc(cc1)CCSc2ccoc2 62a_100011215275_100011218657 [1,0,0,0,1,0|2,0,0]=4 12401 B15R2.2196 c1ccc(cc1)CCSc2ccon2 62a_100000765856_100009818083 [1,0,0,0,1,0|2,0,0]=4 12402 B15R2.2196 c1ccc(cc1)CCSc2ccon2 62a_100009818083_100011218657 [1,0,0,0,1,0|2,0,0]=4 12403 B15R2.2196 c1ccc(cc1)CCSc2ccsc2 62a_100000738268_100011218657 [1,0,0,0,1,0|2,0,0]=4 12404 B15R2.2196 c1ccc(cc1)CCSc2ccsc2 62a_100000765856_100000738268 [1,0,0,0,1,0|2,0,0]=4 12405 B15R2.2196 c1ccc(cc1)CCSc2ccsn2 62a_100000765856_100009818082 [1,0,0,0,1,0|2,0,0]=4 12406 B15R2.2196 c1ccc(cc1)CCSc2ccsn2 62a_100009818082_100011218657 [1,0,0,0,1,0|2,0,0]=4 12407 B15R2.2196 c1ccc(cc1)CCSc2cscn2 62a_100000751502_100011218657 [1,0,0,0,1,0|2,0,0]=4 12408 B15R2.2196 c1ccc(cc1)CCSc2cscn2 62a_100000765856_100000751502 [1,0,0,0,1,0|2,0,0]=4 12409 B15R2.2196 c1ccc(cc1)CCSc2ncc[nH]2 62a_100000765856_100025796157 [1,0,0,0,1,0|2,0,0]=4 12410 B15R2.2196 c1ccc(cc1)CCSc2ncc[nH]2 62a_100025796157_100011218657 [1,0,0,0,1,0|2,0,0]=4 12411 B15R2.2196 c1ccc(cc1)CCSc2ncco2 62a_100000765856_100011787736 [1,0,0,0,1,0|2,0,0]=4 12412 B15R2.2196 c1ccc(cc1)CCSc2ncco2 62a_100011787736_100011218657 [1,0,0,0,1,0|2,0,0]=4 12413 B15R2.2196 c1ccc(cc1)CCSc2nccs2 62a_100000211983_100011218657 [1,0,0,0,1,0|2,0,0]=4 12414 B15R2.2196 c1ccc(cc1)CCSc2nccs2 62a_100000765856_100000211983 [1,0,0,0,1,0|2,0,0]=4 12415 B15R2.2196 c1ccc(cc1)NCCc2cccs2 34a_100000106764_100000748579 [1,0,0,0,1,0|2,0,0]=4 12416 B15R2.2196 c1ccc(nc1)SCCc2cccs2 62a_100000748579_100011216584 [1,0,0,0,1,0|2,0,0]=4 12417 B15R2.2196 c1ccc(nc1)SCCc2cccs2 62a_100011216584_100000748579 [1,0,0,0,1,0|2,0,0]=4 12418 B15R2.2196 c1ccc(nc1)SCCn2cccc2 62a_100011216584_200000035178 [1,0,0,0,1,0|2,0,0]=4 12419 B15R2.2196 c1ccc(nc1)SCCn2cccc2 62a_200009811947_100011216584 [1,0,0,0,1,0|2,0,0]=4 12420 B15R2.2196 c1ccn(c1)CCNc2ccncn2 27a_100011368172_100000703185 [1,0,0,0,1,0|2,0,0]=4 12421 B15R2.2196 c1ccn(c1)CCNc2cnccn2 27a_100011368172_100000211759 [1,0,0,0,1,0|2,0,0]=4 12422 B15R2.2196 c1cnc(cn1)NCCc2ccsc2 27a_100000692642_100000211759 [1,0,0,0,1,0|2,0,0]=4 12423 B15R2.2196 c1cnc(nc1)NCCc2ccco2 27a_100000694680_100000211032 [1,0,0,0,1,0|2,0,0]=4 12424 B15R2.2196 c1cnc(nc1)NCCc2cccs2 27a_100000203755_100000211032 [1,0,0,0,1,0|2,0,0]=4 12425 B15R2.2196 c1cnc(nc1)NCCc2ccsc2 27a_100000692642_100000211032 [1,0,0,0,1,0|2,0,0]=4 12426 B15R2.2196 c1cnc(nc1)NCCn2cccc2 27a_100011368172_100000211032 [1,0,0,0,1,0|2,0,0]=4 12427 B15R2.2196 c1cnnc(c1)NCCc2ccco2 27a_100000694680_100016991348 [1,0,0,0,1,0|2,0,0]=4 12428 B15R2.2196 c1cnnc(c1)NCCc2cccs2 27a_100000203755_100016991348 [1,0,0,0,1,0|2,0,0]=4 12429 B15R2.2196 c1cnnc(c1)NCCc2ccsc2 27a_100000692642_100016991348 [1,0,0,0,1,0|2,0,0]=4 12430 B15R2.2196 c1cnnc(c1)NCCn2cccc2 27a_100011368172_100016991348 [1,0,0,0,1,0|2,0,0]=4 12431 B15R2.2196 c1coc(c1)CCNc2ccncn2 27a_100000694680_100000703185 [1,0,0,0,1,0|2,0,0]=4 12432 B15R2.2196 c1coc(c1)CCNc2cnccn2 27a_100000694680_100000211759 [1,0,0,0,1,0|2,0,0]=4 12433 B15R2.2196 c1csc(c1)CCNc2ccncn2 27a_100000203755_100000703185 [1,0,0,0,1,0|2,0,0]=4 12434 B15R2.2196 c1csc(c1)CCNc2cnccn2 27a_100000203755_100000211759 [1,0,0,0,1,0|2,0,0]=4 12435 B15R2.1259 CC(Cc1c[nH]cn1)c2ccccc2 271570a_100000062452_100000756875 [0,0,0,0,2,0|2,0,0]=4 12436 B15R2.1259 CC(Cc1cc[nH]n1)c2ccccc2 271570a_100000062452_100000062575 [0,0,0,0,2,0|2,0,0]=4 12437 B15R2.1259 CC(Cc1ccco1)c2ccccc2 271570a_100000062452_100009814098 [0,0,0,0,2,0|2,0,0]=4 12438 B15R2.1259 CC(Cc1cccs1)c2ccccc2 271570a_100000062452_100011215356 [0,0,0,0,2,0|2,0,0]=4 12439 B15R2.1259 CC(Cc1ccoc1)c2ccccc2 271570a_100000062452_100011215275 [0,0,0,0,2,0|2,0,0]=4 12440 B15R2.1259 CC(Cc1ccsc1)c2ccccc2 271570a_100000062452_100000738268 [0,0,0,0,2,0|2,0,0]=4 12441 B15R2.1259 CC(Cc1ccsn1)c2ccccc2 271570a_100000062452_100009818082 [0,0,0,0,2,0|2,0,0]=4 12442 B15R2.1259 CC(Cc1cscn1)c2ccccc2 271570a_100000062452_100000751502 [0,0,0,0,2,0|2,0,0]=4 12443 B15R2.1259 CC(Cc1ncc[nH]1)c2ccccc2 271570a_100000062452_100025796157 [0,0,0,0,2,0|2,0,0]=4 12444 B15R2.1259 CC(Cc1ncco1)c2ccccc2 271570a_100000062452_100011787736 [0,0,0,0,2,0|2,0,0]=4 12445 B15R2.1259 CC(Cc1nccs1)c2ccccc2 271570a_100000062452_100000211983 [0,0,0,0,2,0|2,0,0]=4 12446 B15R2.2226 C=C(c1ccccc1)c2ccccn2 271570a_100000068269_100011216584 [0,0,0,0,2,0|1,0,1]=4 12447 B17R1.1561 C=CC=CC(=O)NCC(C)Oc1ccccc1 1626a_100000755676_100016291481 [0,0,1,0,0,1|2,0,0]=4 12448 B17R2.2382 C(#Cc1ccccc1)CNc2ccccc2 34a_100000106764_100011352542 [1,0,0,0,0,1|1,0,1]=4 12449 B17R2.2382 C(#Cc1ccccc1)CSc2ccccn2 62a_100011216584_100011352542 [1,0,0,0,0,1|1,0,1]=4 12450 B17R2.2382 C(=C/c1ccccc1)\CNc2ccccc2 34a_100000106764_100016265936 [1,0,0,0,0,1|1,0,1]=4 12451 B17R2.2382 C(=C/c1ccccc1)\CNc2cccnn2 27a_100020603302_100016991348 [1,0,0,0,0,1|1,0,1]=4 12452 B17R2.2382 C(=C/c1ccccc1)\CNc2ccncn2 27a_100020603302_100000703185 [1,0,0,0,0,1|1,0,1]=4 12453 B17R2.2382 C(=C/c1ccccc1)\CNc2cnccn2 27a_100020603302_100000211759 [1,0,0,0,0,1|1,0,1]=4 12454 B17R2.2382 C(=C/c1ccccc1)\CNc2ncccn2 27a_100020603302_100000211032 [1,0,0,0,0,1|1,0,1]=4 12455 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccn2 62a_100011216584_100016265936 [1,0,0,0,0,1|1,0,1]=4 12456 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccn2 62a_100016265936_100011216584 [1,0,0,0,0,1|1,0,1]=4 12457 B17R2.2382 C(=NNCc1ccccc1)c2ccccn2 4a_100000007032_100000209966 [1,0,0,0,0,1|1,0,1]=4 12458 B17R2.2382 C(=NNCc1ccccn1)c2ccccc2 4a_100000736832_100015611070 [1,0,0,0,0,1|1,0,1]=4 12459 B17R2.2382 C(=NNc1ccccc1)Cc2ccccc2 4a_100015195140_100000209964 [1,0,0,0,0,1|1,0,1]=4 12460 B17R2.2382 C(=NNc1ccccn1)Cc2ccccc2 4a_100000183288_100000209964 [1,0,0,0,0,1|0,0,1]=3 12461 B17R2.2382 C(=NNc1cccnn1)Cc2ccccc2 4a_100000757824_100000209964 [1,0,0,0,0,1|1,0,1]=4 12462 B17R2.2382 C(=NNc1ccncn1)Cc2ccccc2 4a_100011438088_100000209964 [1,0,0,0,0,1|1,0,1]=4 12463 B17R2.2382 C(=NNc1cnccn1)Cc2ccccc2 4a_100000736894_100000209964 [1,0,0,0,0,1|1,0,1]=4 12464 B17R2.2382 C(=NNc1ncccn1)Cc2ccccc2 4a_100000736892_100000209964 [1,0,0,0,0,1|1,0,1]=4 12465 B17R2.2382 c1cc(ccn1)CCCNc2ccncn2 27a_100011275580_100000703185 [1,0,0,0,0,1|2,0,0]=4 12466 B17R2.2382 c1cc(ccn1)CCCNc2cnccn2 27a_100011275580_100000211759 [1,0,0,0,0,1|2,0,0]=4 12467 B17R2.2382 c1cc(ccn1)CCNCc2cnccn2 270004a_100000742849_100000749867 [1,0,0,0,0,1|2,0,0]=4 12468 B17R2.2382 c1cc(ccn1)OCCNc2ccncn2 27a_100025717301_100000703185 [1,0,0,0,0,1|2,0,0]=4 12469 B17R2.2382 c1cc(ccn1)OCCNc2cnccn2 27a_100025717301_100000211759 [1,0,0,0,0,1|2,0,0]=4 12470 B17R2.2382 c1ccc(cc1)CCCNc2ccccc2 34a_100000106764_100000211621 [1,0,0,0,0,1|1,0,0]=3 12471 B17R2.2382 c1ccc(cc1)CCCNc2cccnn2 27a_100000211184_100016991348 [1,0,0,0,0,1|1,0,0]=3 12472 B17R2.2382 c1ccc(cc1)CCCNc2ccncn2 27a_100000211184_100000703185 [1,0,0,0,0,1|1,0,0]=3 12473 B17R2.2382 c1ccc(cc1)CCCNc2cnccn2 27a_100000211184_100000211759 [1,0,0,0,0,1|1,0,0]=3 12474 B17R2.2382 c1ccc(cc1)CCCNc2ncccn2 27a_100000211184_100000211032 [1,0,0,0,0,1|1,0,0]=3 12475 B17R2.2382 c1ccc(cc1)CCCOc2ccccc2 34a_100000210340_100000211621 [1,0,0,0,0,1|2,0,0]=4 12476 B17R2.2382 c1ccc(cc1)CCCOc2ccccc2 7a_100000210340_100000211621 [1,0,0,0,0,1|2,0,0]=4 12477 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 62a_100000211621_100000041952 [1,0,0,0,0,1|2,0,0]=4 12478 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 62a_100000719477_100000211621 [1,0,0,0,0,1|2,0,0]=4 12479 B17R2.2382 c1ccc(cc1)CCCSc2ccccn2 62a_100000211621_100011216584 [1,0,0,0,0,1|1,0,0]=3 12480 B17R2.2382 c1ccc(cc1)CCCSc2ccccn2 62a_100011216584_100000211621 [1,0,0,0,0,1|1,0,0]=3 12481 B17R2.2382 c1ccc(cc1)CCCSc2cccnn2 62a_100000211621_100016991348 [1,0,0,0,0,1|2,0,0]=4 12482 B17R2.2382 c1ccc(cc1)CCCSc2cccnn2 62a_100016991348_100000211621 [1,0,0,0,0,1|2,0,0]=4 12483 B17R2.2382 c1ccc(cc1)CCCSc2ccncn2 62a_100000211621_100000703185 [1,0,0,0,0,1|2,0,0]=4 12484 B17R2.2382 c1ccc(cc1)CCCSc2ccncn2 62a_100000703185_100000211621 [1,0,0,0,0,1|2,0,0]=4 12485 B17R2.2382 c1ccc(cc1)CCCSc2cnccn2 62a_100000211621_100000211759 [1,0,0,0,0,1|2,0,0]=4 12486 B17R2.2382 c1ccc(cc1)CCCSc2cnccn2 62a_100000211759_100000211621 [1,0,0,0,0,1|2,0,0]=4 12487 B17R2.2382 c1ccc(cc1)CCCSc2ncccn2 62a_100000211032_100000211621 [1,0,0,0,0,1|2,0,0]=4 12488 B17R2.2382 c1ccc(cc1)CCCSc2ncccn2 62a_100000211621_100000211032 [1,0,0,0,0,1|2,0,0]=4 12489 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 207a_100000106460_100015611070 [1,0,0,0,0,1|1,0,0]=3 12490 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 2230a_100000106460_100015291786 [1,0,0,0,0,1|1,0,0]=3 12491 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 2230a_100015324214_100000765856 [1,0,0,0,0,1|1,0,0]=3 12492 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 270004a_100000106460_100015611070 [1,0,0,0,0,1|1,0,0]=3 12493 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 34a_100000106460_100015291786 [1,0,0,0,0,1|1,0,0]=3 12494 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 34a_100015324214_100000765856 [1,0,0,0,0,1|1,0,0]=3 12495 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 207a_100000106460_100000209966 [1,0,0,0,0,1|0,0,0]=2 12496 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 2230a_100000106460_100000721315 [1,0,0,0,0,1|0,0,0]=2 12497 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 270004a_100000106460_100000209966 [1,0,0,0,0,1|0,0,0]=2 12498 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 34a_100000106460_100000721315 [1,0,0,0,0,1|0,0,0]=2 12499 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 207a_100000106460_100000209961 [1,0,0,0,0,1|2,0,0]=4 12500 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 2230a_100000106460_100000741622 [1,0,0,0,0,1|2,0,0]=4 12501 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 270004a_100000106460_100000209961 [1,0,0,0,0,1|2,0,0]=4 12502 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 34a_100000106460_100000733263 [1,0,0,0,0,1|2,0,0]=4 12503 B17R2.2382 c1ccc(cc1)CCNCc2cccnn2 2230a_100000106460_100016990269 [1,0,0,0,0,1|1,0,0]=3 12504 B17R2.2382 c1ccc(cc1)CCNCc2cccnn2 2230a_100159270163_100000765856 [1,0,0,0,0,1|1,0,0]=3 12505 B17R2.2382 c1ccc(cc1)CCNCc2cccnn2 34a_100000106460_100016990269 [1,0,0,0,0,1|1,0,0]=3 12506 B17R2.2382 c1ccc(cc1)CCNCc2ccncc2 207a_100000106460_100000186114 [1,0,0,0,0,1|2,0,0]=4 12507 B17R2.2382 c1ccc(cc1)CCNCc2ccncc2 2230a_100000106460_100015193705 [1,0,0,0,0,1|2,0,0]=4 12508 B17R2.2382 c1ccc(cc1)CCNCc2cnccn2 2230a_100000106460_100016995436 [1,0,0,0,0,1|1,0,0]=3 12509 B17R2.2382 c1ccc(cc1)CCNCc2cnccn2 270004a_100000106460_100000749867 [1,0,0,0,0,1|1,0,0]=3 12510 B17R2.2382 c1ccc(cc1)CCNCc2cnccn2 34a_100000106460_100016995436 [1,0,0,0,0,1|1,0,0]=3 12511 B17R2.2382 c1ccc(cc1)CCNCc2ncccn2 2230a_100000106460_100000703007 [1,0,0,0,0,1|1,0,0]=3 12512 B17R2.2382 c1ccc(cc1)CCNCc2ncccn2 270004a_100000106460_100011532527 [1,0,0,0,0,1|1,0,0]=3 12513 B17R2.2382 c1ccc(cc1)CCNCc2ncccn2 34a_100000106460_100000703007 [1,0,0,0,0,1|1,0,0]=3 12514 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 34a_100000210268_100015291786 [1,0,0,0,0,1|2,0,0]=4 12515 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 34a_100000210790_100000765856 [1,0,0,0,0,1|2,0,0]=4 12516 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 7a_100000210268_100000211182 [1,0,0,0,0,1|2,0,0]=4 12517 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 7a_100000210790_100000765856 [1,0,0,0,0,1|2,0,0]=4 12518 B17R2.2382 c1ccc(cc1)CCOCc2ccccn2 34a_100000210268_100000721315 [1,0,0,0,0,1|1,0,0]=3 12519 B17R2.2382 c1ccc(cc1)CCOCc2ccccn2 7a_100000210268_100000721315 [1,0,0,0,0,1|1,0,0]=3 12520 B17R2.2382 c1ccc(cc1)CCOCc2cccnn2 34a_100000210268_100016990269 [1,0,0,0,0,1|2,0,0]=4 12521 B17R2.2382 c1ccc(cc1)CCOCc2cccnn2 7a_100000210268_100016990269 [1,0,0,0,0,1|2,0,0]=4 12522 B17R2.2382 c1ccc(cc1)CCOCc2cnccn2 34a_100000210268_100016995436 [1,0,0,0,0,1|2,0,0]=4 12523 B17R2.2382 c1ccc(cc1)CCOCc2cnccn2 7a_100000210268_100016995436 [1,0,0,0,0,1|2,0,0]=4 12524 B17R2.2382 c1ccc(cc1)CCOCc2ncccn2 34a_100000210268_100000703007 [1,0,0,0,0,1|2,0,0]=4 12525 B17R2.2382 c1ccc(cc1)CCOCc2ncccn2 7a_100000210268_100000703007 [1,0,0,0,0,1|2,0,0]=4 12526 B17R2.2382 c1ccc(cc1)CCSCc2ccccc2 62a_100000211182_100011218657 [1,0,0,0,0,1|2,0,0]=4 12527 B17R2.2382 c1ccc(cc1)CCSCc2ccccc2 62a_100000765856_100015291786 [1,0,0,0,0,1|2,0,0]=4 12528 B17R2.2382 c1ccc(cc1)CCSCc2ccccn2 62a_100000721315_100011218657 [1,0,0,0,0,1|1,0,0]=3 12529 B17R2.2382 c1ccc(cc1)CCSCc2ccccn2 62a_100000765856_100000721315 [1,0,0,0,0,1|1,0,0]=3 12530 B17R2.2382 c1ccc(cc1)CCSCc2cccnn2 62a_100000765856_100016990269 [1,0,0,0,0,1|2,0,0]=4 12531 B17R2.2382 c1ccc(cc1)CCSCc2cccnn2 62a_100016990269_100011218657 [1,0,0,0,0,1|2,0,0]=4 12532 B17R2.2382 c1ccc(cc1)CCSCc2cnccn2 62a_100000765856_100016995436 [1,0,0,0,0,1|2,0,0]=4 12533 B17R2.2382 c1ccc(cc1)CCSCc2cnccn2 62a_100016995436_100011218657 [1,0,0,0,0,1|2,0,0]=4 12534 B17R2.2382 c1ccc(cc1)CCSCc2ncccn2 62a_100000703007_100011218657 [1,0,0,0,0,1|2,0,0]=4 12535 B17R2.2382 c1ccc(cc1)CCSCc2ncccn2 62a_100000765856_100000703007 [1,0,0,0,0,1|2,0,0]=4 12536 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 207a_100000211156_100015611070 [1,0,0,0,0,1|1,0,0]=3 12537 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 2230a_100015324214_100015183660 [1,0,0,0,0,1|1,0,0]=3 12538 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 270004a_100000211156_100015611070 [1,0,0,0,0,1|1,0,0]=3 12539 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 207a_100000736294_100015611070 [1,0,0,0,0,1|2,0,0]=4 12540 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 2230a_100000736294_100015291786 [1,0,0,0,0,1|2,0,0]=4 12541 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 2230a_100015324214_200011713674 [1,0,0,0,0,1|2,0,0]=4 12542 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 270004a_100000736294_100015611070 [1,0,0,0,0,1|2,0,0]=4 12543 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 207a_100000742849_100015611070 [1,0,0,0,0,1|2,0,0]=4 12544 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 2230a_100015324214_100000723409 [1,0,0,0,0,1|2,0,0]=4 12545 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 270004a_100000742849_100015611070 [1,0,0,0,0,1|2,0,0]=4 12546 B17R2.2382 c1ccc(cc1)CNCCc2cnccn2 207a_100000723456_100015611070 [1,0,0,0,0,1|2,0,0]=4 12547 B17R2.2382 c1ccc(cc1)CNCCc2cnccn2 270004a_100000723456_100015611070 [1,0,0,0,0,1|2,0,0]=4 12548 B17R2.2382 c1ccc(cc1)CNCSc2ccccc2 2230a_100015324214_100011218342 [1,0,0,0,0,1|2,0,0]=4 12549 B17R2.2382 c1ccc(cc1)COCCc2ccccn2 34a_100000210271_100015291786 [1,0,0,0,0,1|1,0,0]=3 12550 B17R2.2382 c1ccc(cc1)COCCc2ccccn2 7a_100000210790_100015183660 [1,0,0,0,0,1|1,0,0]=3 12551 B17R2.2382 c1ccc(cc1)COCCc2cnccn2 34a_100011349526_100015291786 [1,0,0,0,0,1|2,0,0]=4 12552 B17R2.2382 c1ccc(cc1)COCNc2ccccc2 34a_100000106764_100000763385 [1,0,0,0,0,1|1,0,0]=3 12553 B17R2.2382 c1ccc(cc1)COCOc2ccccc2 34a_100000210340_100000763385 [1,0,0,0,0,1|2,0,0]=4 12554 B17R2.2382 c1ccc(cc1)COCSc2ccccc2 62a_100000719477_100000763385 [1,0,0,0,0,1|2,0,0]=4 12555 B17R2.2382 c1ccc(cc1)COCSc2ccccc2 62a_100000763385_100000041952 [1,0,0,0,0,1|2,0,0]=4 12556 B17R2.2382 c1ccc(cc1)COCSc2ccccn2 62a_100000763385_100011216584 [1,0,0,0,0,1|1,0,0]=3 12557 B17R2.2382 c1ccc(cc1)COCSc2ccccn2 62a_100011216584_100000763385 [1,0,0,0,0,1|1,0,0]=3 12558 B17R2.2382 c1ccc(cc1)COCSc2cccnn2 62a_100000763385_100016991348 [1,0,0,0,0,1|2,0,0]=4 12559 B17R2.2382 c1ccc(cc1)COCSc2cccnn2 62a_100016991348_100000763385 [1,0,0,0,0,1|2,0,0]=4 12560 B17R2.2382 c1ccc(cc1)COCSc2ccncn2 62a_100000703185_100000763385 [1,0,0,0,0,1|2,0,0]=4 12561 B17R2.2382 c1ccc(cc1)COCSc2ccncn2 62a_100000763385_100000703185 [1,0,0,0,0,1|2,0,0]=4 12562 B17R2.2382 c1ccc(cc1)COCSc2cnccn2 62a_100000211759_100000763385 [1,0,0,0,0,1|2,0,0]=4 12563 B17R2.2382 c1ccc(cc1)COCSc2cnccn2 62a_100000763385_100000211759 [1,0,0,0,0,1|2,0,0]=4 12564 B17R2.2382 c1ccc(cc1)COCSc2ncccn2 62a_100000211032_100000763385 [1,0,0,0,0,1|2,0,0]=4 12565 B17R2.2382 c1ccc(cc1)COCSc2ncccn2 62a_100000763385_100000211032 [1,0,0,0,0,1|2,0,0]=4 12566 B17R2.2382 c1ccc(cc1)CSCCc2ccccn2 62a_100000211182_100015183660 [1,0,0,0,0,1|1,0,0]=3 12567 B17R2.2382 c1ccc(cc1)CSCCc2ccccn2 62a_100015183660_100015291786 [1,0,0,0,0,1|1,0,0]=3 12568 B17R2.2382 c1ccc(cc1)CSCNc2ccccc2 34a_100000106764_200011217039 [1,0,0,0,0,1|1,0,0]=3 12569 B17R2.2382 c1ccc(cc1)CSCOc2ccccc2 34a_100000210340_200011217039 [1,0,0,0,0,1|2,0,0]=4 12570 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000211182_100011218342 [1,0,0,0,0,1|2,0,0]=4 12571 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000719477_200011217039 [1,0,0,0,0,1|2,0,0]=4 12572 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100011218342_100015291786 [1,0,0,0,0,1|2,0,0]=4 12573 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_200011217039_100000041952 [1,0,0,0,0,1|2,0,0]=4 12574 B17R2.2382 c1ccc(cc1)CSCSc2ccccn2 62a_100011216584_200011217039 [1,0,0,0,0,1|1,0,0]=3 12575 B17R2.2382 c1ccc(cc1)CSCSc2ccccn2 62a_200011217039_100011216584 [1,0,0,0,0,1|1,0,0]=3 12576 B17R2.2382 c1ccc(cc1)CSCSc2cccnn2 62a_100016991348_200011217039 [1,0,0,0,0,1|2,0,0]=4 12577 B17R2.2382 c1ccc(cc1)CSCSc2cccnn2 62a_200011217039_100016991348 [1,0,0,0,0,1|2,0,0]=4 12578 B17R2.2382 c1ccc(cc1)CSCSc2ccncn2 62a_100000703185_200011217039 [1,0,0,0,0,1|2,0,0]=4 12579 B17R2.2382 c1ccc(cc1)CSCSc2ccncn2 62a_200011217039_100000703185 [1,0,0,0,0,1|2,0,0]=4 12580 B17R2.2382 c1ccc(cc1)CSCSc2cnccn2 62a_100000211759_200011217039 [1,0,0,0,0,1|2,0,0]=4 12581 B17R2.2382 c1ccc(cc1)CSCSc2cnccn2 62a_200011217039_100000211759 [1,0,0,0,0,1|2,0,0]=4 12582 B17R2.2382 c1ccc(cc1)CSCSc2ncccn2 62a_100000211032_200011217039 [1,0,0,0,0,1|2,0,0]=4 12583 B17R2.2382 c1ccc(cc1)CSCSc2ncccn2 62a_200011217039_100000211032 [1,0,0,0,0,1|2,0,0]=4 12584 B17R2.2382 c1ccc(cc1)NCCOc2ccccc2 34a_100000106764_100000184471 [1,0,0,0,0,1|1,0,0]=3 12585 B17R2.2382 c1ccc(cc1)NCCSc2ccccc2 34a_100000106764_100000246102 [1,0,0,0,0,1|1,0,0]=3 12586 B17R2.2382 c1ccc(cc1)OCCNc2cccnn2 27a_100000174943_100016991348 [1,0,0,0,0,1|1,0,0]=3 12587 B17R2.2382 c1ccc(cc1)OCCNc2ccncn2 27a_100000174943_100000703185 [1,0,0,0,0,1|1,0,0]=3 12588 B17R2.2382 c1ccc(cc1)OCCNc2cnccn2 27a_100000174943_100000211759 [1,0,0,0,0,1|1,0,0]=3 12589 B17R2.2382 c1ccc(cc1)OCCNc2ncccn2 27a_100000174943_100000211032 [1,0,0,0,0,1|1,0,0]=3 12590 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 34a_100000210340_100000184471 [1,0,0,0,0,1|2,0,0]=4 12591 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 7a_100000210340_100000184471 [1,0,0,0,0,1|2,0,0]=4 12592 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 34a_100000210340_100000246102 [1,0,0,0,0,1|2,0,0]=4 12593 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 62a_100000184471_100000041952 [1,0,0,0,0,1|2,0,0]=4 12594 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 62a_100000719477_100000184471 [1,0,0,0,0,1|2,0,0]=4 12595 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 7a_100000210340_100000246102 [1,0,0,0,0,1|2,0,0]=4 12596 B17R2.2382 c1ccc(cc1)OCCSc2ccccn2 62a_100000184471_100011216584 [1,0,0,0,0,1|1,0,0]=3 12597 B17R2.2382 c1ccc(cc1)OCCSc2ccccn2 62a_100011216584_100000184471 [1,0,0,0,0,1|1,0,0]=3 12598 B17R2.2382 c1ccc(cc1)OCCSc2cccnn2 62a_100000184471_100016991348 [1,0,0,0,0,1|2,0,0]=4 12599 B17R2.2382 c1ccc(cc1)OCCSc2cccnn2 62a_100016991348_100000184471 [1,0,0,0,0,1|2,0,0]=4 12600 B17R2.2382 c1ccc(cc1)OCCSc2ccncn2 62a_100000184471_100000703185 [1,0,0,0,0,1|2,0,0]=4 12601 B17R2.2382 c1ccc(cc1)OCCSc2ccncn2 62a_100000703185_100000184471 [1,0,0,0,0,1|2,0,0]=4 12602 B17R2.2382 c1ccc(cc1)OCCSc2cnccn2 62a_100000184471_100000211759 [1,0,0,0,0,1|2,0,0]=4 12603 B17R2.2382 c1ccc(cc1)OCCSc2cnccn2 62a_100000211759_100000184471 [1,0,0,0,0,1|2,0,0]=4 12604 B17R2.2382 c1ccc(cc1)OCCSc2ncccn2 62a_100000184471_100000211032 [1,0,0,0,0,1|2,0,0]=4 12605 B17R2.2382 c1ccc(cc1)OCCSc2ncccn2 62a_100000211032_100000184471 [1,0,0,0,0,1|2,0,0]=4 12606 B17R2.2382 c1ccc(cc1)SCCNc2cccnn2 27a_100000189519_100016991348 [1,0,0,0,0,1|1,0,0]=3 12607 B17R2.2382 c1ccc(cc1)SCCNc2ccncn2 27a_100000189519_100000703185 [1,0,0,0,0,1|1,0,0]=3 12608 B17R2.2382 c1ccc(cc1)SCCNc2cnccn2 27a_100000189519_100000211759 [1,0,0,0,0,1|1,0,0]=3 12609 B17R2.2382 c1ccc(cc1)SCCNc2ncccn2 27a_100000189519_100000211032 [1,0,0,0,0,1|1,0,0]=3 12610 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000246102_100000041952 [1,0,0,0,0,1|2,0,0]=4 12611 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000719477_100000246102 [1,0,0,0,0,1|2,0,0]=4 12612 B17R2.2382 c1ccc(cc1)SCCSc2ccccn2 62a_100000246102_100011216584 [1,0,0,0,0,1|1,0,0]=3 12613 B17R2.2382 c1ccc(cc1)SCCSc2ccccn2 62a_100011216584_100000246102 [1,0,0,0,0,1|1,0,0]=3 12614 B17R2.2382 c1ccc(cc1)SCCSc2cccnn2 62a_100000246102_100016991348 [1,0,0,0,0,1|2,0,0]=4 12615 B17R2.2382 c1ccc(cc1)SCCSc2cccnn2 62a_100016991348_100000246102 [1,0,0,0,0,1|2,0,0]=4 12616 B17R2.2382 c1ccc(cc1)SCCSc2ccncn2 62a_100000246102_100000703185 [1,0,0,0,0,1|2,0,0]=4 12617 B17R2.2382 c1ccc(cc1)SCCSc2ccncn2 62a_100000703185_100000246102 [1,0,0,0,0,1|2,0,0]=4 12618 B17R2.2382 c1ccc(cc1)SCCSc2cnccn2 62a_100000211759_100000246102 [1,0,0,0,0,1|2,0,0]=4 12619 B17R2.2382 c1ccc(cc1)SCCSc2cnccn2 62a_100000246102_100000211759 [1,0,0,0,0,1|2,0,0]=4 12620 B17R2.2382 c1ccc(cc1)SCCSc2ncccn2 62a_100000211032_100000246102 [1,0,0,0,0,1|2,0,0]=4 12621 B17R2.2382 c1ccc(cc1)SCCSc2ncccn2 62a_100000246102_100000211032 [1,0,0,0,0,1|2,0,0]=4 12622 B17R2.2382 c1ccc(cc1)SCNCc2cccnn2 2230a_100159270163_100011218342 [1,0,0,0,0,1|2,0,0]=4 12623 B17R2.2382 c1ccc(cc1)SCSCc2ccccn2 62a_100000721315_100011218342 [1,0,0,0,0,1|2,0,0]=4 12624 B17R2.2382 c1ccc(cc1)SCSCc2ccccn2 62a_100011218342_100000721315 [1,0,0,0,0,1|2,0,0]=4 12625 B17R2.2382 c1ccc(nc1)CCCNc2cccnn2 27a_100000689020_100016991348 [1,0,0,0,0,1|2,0,0]=4 12626 B17R2.2382 c1ccc(nc1)CCCNc2ccncn2 27a_100000689020_100000703185 [1,0,0,0,0,1|2,0,0]=4 12627 B17R2.2382 c1ccc(nc1)CCCNc2cnccn2 27a_100000689020_100000211759 [1,0,0,0,0,1|2,0,0]=4 12628 B17R2.2382 c1ccc(nc1)CCCNc2ncccn2 27a_100000689020_100000211032 [1,0,0,0,0,1|2,0,0]=4 12629 B17R2.2382 c1ccc(nc1)CCNCc2ccccn2 207a_100000211156_100000209966 [1,0,0,0,0,1|1,0,0]=3 12630 B17R2.2382 c1ccc(nc1)CCNCc2ccccn2 270004a_100000211156_100000209966 [1,0,0,0,0,1|1,0,0]=3 12631 B17R2.2382 c1ccc(nc1)CCNCc2cccnc2 207a_100000211156_100000209961 [1,0,0,0,0,1|2,0,0]=4 12632 B17R2.2382 c1ccc(nc1)CCNCc2cccnc2 270004a_100000211156_100000209961 [1,0,0,0,0,1|2,0,0]=4 12633 B17R2.2382 c1ccc(nc1)CCNCc2cccnn2 2230a_100159270163_100015183660 [1,0,0,0,0,1|2,0,0]=4 12634 B17R2.2382 c1ccc(nc1)CCNCc2ccncc2 207a_100000211156_100000186114 [1,0,0,0,0,1|2,0,0]=4 12635 B17R2.2382 c1ccc(nc1)CCNCc2cnccn2 270004a_100000211156_100000749867 [1,0,0,0,0,1|2,0,0]=4 12636 B17R2.2382 c1ccc(nc1)CCNCc2ncccn2 270004a_100000211156_100011532527 [1,0,0,0,0,1|2,0,0]=4 12637 B17R2.2382 c1ccc(nc1)CCOCc2ccccn2 34a_100000210271_100000721315 [1,0,0,0,0,1|2,0,0]=4 12638 B17R2.2382 c1ccc(nc1)CCOCc2cccnc2 34a_100000210271_100000733263 [1,0,0,0,0,1|2,0,0]=4 12639 B17R2.2382 c1ccc(nc1)CCSCc2ccccn2 62a_100000721315_100015183660 [1,0,0,0,0,1|2,0,0]=4 12640 B17R2.2382 c1ccc(nc1)CCSCc2ccccn2 62a_100015183660_100000721315 [1,0,0,0,0,1|2,0,0]=4 12641 B17R2.2382 c1ccc(nc1)CCSCc2cccnc2 62a_100000741622_100015183660 [1,0,0,0,0,1|2,0,0]=4 12642 B17R2.2382 c1ccc(nc1)CCSCc2cccnc2 62a_100015183660_100000741622 [1,0,0,0,0,1|2,0,0]=4 12643 B17R2.2382 c1ccc(nc1)CCSCc2ccncc2 62a_100015183660_100015193705 [1,0,0,0,0,1|2,0,0]=4 12644 B17R2.2382 c1ccc(nc1)CCSCc2ccncc2 62a_100015193705_100015183660 [1,0,0,0,0,1|2,0,0]=4 12645 B17R2.2382 c1ccc(nc1)CNCCc2cccnc2 207a_100000736294_100000209966 [1,0,0,0,0,1|1,0,0]=3 12646 B17R2.2382 c1ccc(nc1)CNCCc2cccnc2 2230a_100000736294_100000721315 [1,0,0,0,0,1|1,0,0]=3 12647 B17R2.2382 c1ccc(nc1)CNCCc2cccnc2 270004a_100000736294_100000209966 [1,0,0,0,0,1|1,0,0]=3 12648 B17R2.2382 c1ccc(nc1)CNCCc2ccncc2 207a_100000742849_100000209966 [1,0,0,0,0,1|1,0,0]=3 12649 B17R2.2382 c1ccc(nc1)CNCCc2ccncc2 270004a_100000742849_100000209966 [1,0,0,0,0,1|1,0,0]=3 12650 B17R2.2382 c1ccc(nc1)CNCCc2cnccn2 207a_100000723456_100000209966 [1,0,0,0,0,1|2,0,0]=4 12651 B17R2.2382 c1ccc(nc1)CNCCc2cnccn2 270004a_100000723456_100000209966 [1,0,0,0,0,1|2,0,0]=4 12652 B17R2.2382 c1ccc(nc1)COCCc2cccnc2 34a_100011217484_100000721315 [1,0,0,0,0,1|2,0,0]=4 12653 B17R2.2382 c1ccc(nc1)COCCc2ccncc2 34a_100011216225_100000721315 [1,0,0,0,0,1|2,0,0]=4 12654 B17R2.2382 c1ccc(nc1)CSCCc2cccnc2 62a_100000721315_200011713674 [1,0,0,0,0,1|2,0,0]=4 12655 B17R2.2382 c1ccc(nc1)CSCCc2cccnc2 62a_200011713674_100000721315 [1,0,0,0,0,1|2,0,0]=4 12656 B17R2.2382 c1ccc(nc1)CSCCc2ccncc2 62a_100000721315_100000723409 [1,0,0,0,0,1|2,0,0]=4 12657 B17R2.2382 c1ccc(nc1)CSCCc2ccncc2 62a_100000723409_100000721315 [1,0,0,0,0,1|2,0,0]=4 12658 B17R2.2382 c1ccc(nc1)OCCNc2cccnn2 27a_106741647558_100016991348 [1,0,0,0,0,1|2,0,0]=4 12659 B17R2.2382 c1ccc(nc1)OCCNc2ccncn2 27a_106741647558_100000703185 [1,0,0,0,0,1|2,0,0]=4 12660 B17R2.2382 c1ccc(nc1)OCCNc2cnccn2 27a_106741647558_100000211759 [1,0,0,0,0,1|2,0,0]=4 12661 B17R2.2382 c1ccc(nc1)OCCNc2ncccn2 27a_106741647558_100000211032 [1,0,0,0,0,1|2,0,0]=4 12662 B17R2.2382 c1cnc(nc1)CNCCc2cccnc2 2230a_100000736294_100000703007 [1,0,0,0,0,1|2,0,0]=4 12663 B17R2.2382 c1cnc(nc1)CNCCc2cccnc2 270004a_100000736294_100011532527 [1,0,0,0,0,1|2,0,0]=4 12664 B17R2.2382 c1cnc(nc1)CNCCc2ccncc2 270004a_100000742849_100011532527 [1,0,0,0,0,1|2,0,0]=4 12665 B17R2.2382 c1cnc(nc1)NCCCc2cccnc2 27a_100011532358_100000211032 [1,0,0,0,0,1|2,0,0]=4 12666 B17R2.2382 c1cnc(nc1)NCCCc2ccncc2 27a_100011275580_100000211032 [1,0,0,0,0,1|2,0,0]=4 12667 B17R2.2382 c1cnc(nc1)NCCOc2cccnc2 27a_100000754688_100000211032 [1,0,0,0,0,1|2,0,0]=4 12668 B17R2.2382 c1cnc(nc1)NCCOc2ccncc2 27a_100025717301_100000211032 [1,0,0,0,0,1|2,0,0]=4 12669 B17R2.2382 c1cncc(c1)CCCNc2cccnn2 27a_100011532358_100016991348 [1,0,0,0,0,1|2,0,0]=4 12670 B17R2.2382 c1cncc(c1)CCCNc2ccncn2 27a_100011532358_100000703185 [1,0,0,0,0,1|2,0,0]=4 12671 B17R2.2382 c1cncc(c1)CCCNc2cnccn2 27a_100011532358_100000211759 [1,0,0,0,0,1|2,0,0]=4 12672 B17R2.2382 c1cncc(c1)CCNCc2cccnn2 2230a_100000736294_100016990269 [1,0,0,0,0,1|2,0,0]=4 12673 B17R2.2382 c1cncc(c1)CCNCc2cccnn2 2230a_100159270163_200011713674 [1,0,0,0,0,1|2,0,0]=4 12674 B17R2.2382 c1cncc(c1)CCNCc2cnccn2 2230a_100000736294_100016995436 [1,0,0,0,0,1|2,0,0]=4 12675 B17R2.2382 c1cncc(c1)CCNCc2cnccn2 270004a_100000736294_100000749867 [1,0,0,0,0,1|2,0,0]=4 12676 B17R2.2382 c1cncc(c1)OCCNc2cccnn2 27a_100000754688_100016991348 [1,0,0,0,0,1|2,0,0]=4 12677 B17R2.2382 c1cncc(c1)OCCNc2ccncn2 27a_100000754688_100000703185 [1,0,0,0,0,1|2,0,0]=4 12678 B17R2.2382 c1cncc(c1)OCCNc2cnccn2 27a_100000754688_100000211759 [1,0,0,0,0,1|2,0,0]=4 12679 B17R2.2382 c1cnnc(c1)CNCCc2ccncc2 2230a_100159270163_100000723409 [1,0,0,0,0,1|2,0,0]=4 12680 B17R2.2382 c1cnnc(c1)NCCCc2ccncc2 27a_100011275580_100016991348 [1,0,0,0,0,1|2,0,0]=4 12681 B17R2.2382 c1cnnc(c1)NCCOc2ccncc2 27a_100025717301_100016991348 [1,0,0,0,0,1|2,0,0]=4 12682 B17R2.5714 OC(CNCc1ccccc1)c2ccco2 207a_100000738650_100015611070 [0,0,0,0,1,1|2,0,0]=4 12683 B17R2.5714 OC(CNCc1ccccc1)c2ccco2 2230a_100000738650_100015291786 [0,0,0,0,1,1|2,0,0]=4 12684 B17R2.5714 OC(CNCc1ccccc1)c2ccco2 270004a_100000738650_100015611070 [0,0,0,0,1,1|2,0,0]=4 12685 B17R2.5714 OC(CNCc1ccccc1)c2ccsc2 207a_100000758718_100015611070 [0,0,0,0,1,1|2,0,0]=4 12686 B17R2.5714 OC(CNCc1ccccc1)c2ccsc2 2230a_100000758718_100015291786 [0,0,0,0,1,1|2,0,0]=4 12687 B17R2.5714 OC(CNCc1ccccc1)c2ccsc2 270004a_100000758718_100015611070 [0,0,0,0,1,1|2,0,0]=4 12688 B17R2.5714 OC(CNCc1ccccc1)c2ccsc2 34a_100000758718_100015291786 [0,0,0,0,1,1|2,0,0]=4 12689 B17R2.5714 OC(CNCc1ccccn1)c2ccco2 207a_100000738650_100000209966 [0,0,0,0,1,1|1,0,0]=3 12690 B17R2.5714 OC(CNCc1ccccn1)c2ccco2 2230a_100000738650_100000721315 [0,0,0,0,1,1|1,0,0]=3 12691 B17R2.5714 OC(CNCc1ccccn1)c2ccco2 270004a_100000738650_100000209966 [0,0,0,0,1,1|1,0,0]=3 12692 B17R2.5714 OC(CNCc1ccccn1)c2ccsc2 207a_100000758718_100000209966 [0,0,0,0,1,1|1,0,0]=3 12693 B17R2.5714 OC(CNCc1ccccn1)c2ccsc2 2230a_100000758718_100000721315 [0,0,0,0,1,1|1,0,0]=3 12694 B17R2.5714 OC(CNCc1ccccn1)c2ccsc2 270004a_100000758718_100000209966 [0,0,0,0,1,1|1,0,0]=3 12695 B17R2.5714 OC(CNCc1ccccn1)c2ccsc2 34a_100000758718_100000721315 [0,0,0,0,1,1|1,0,0]=3 12696 B17R2.5714 OC(CNCc1cccnn1)c2ccco2 2230a_100000738650_100016990269 [0,0,0,0,1,1|2,0,0]=4 12697 B17R2.5714 OC(CNCc1cccnn1)c2ccsc2 2230a_100000758718_100016990269 [0,0,0,0,1,1|2,0,0]=4 12698 B17R2.5714 OC(CNCc1cccnn1)c2ccsc2 34a_100000758718_100016990269 [0,0,0,0,1,1|2,0,0]=4 12699 B17R2.5714 OC(CNCc1cnccn1)c2ccco2 2230a_100000738650_100016995436 [0,0,0,0,1,1|2,0,0]=4 12700 B17R2.5714 OC(CNCc1cnccn1)c2ccco2 270004a_100000738650_100000749867 [0,0,0,0,1,1|2,0,0]=4 12701 B17R2.5714 OC(CNCc1cnccn1)c2ccsc2 2230a_100000758718_100016995436 [0,0,0,0,1,1|2,0,0]=4 12702 B17R2.5714 OC(CNCc1cnccn1)c2ccsc2 270004a_100000758718_100000749867 [0,0,0,0,1,1|2,0,0]=4 12703 B17R2.5714 OC(CNCc1cnccn1)c2ccsc2 34a_100000758718_100016995436 [0,0,0,0,1,1|2,0,0]=4 12704 B17R2.5714 OC(CNCc1ncccn1)c2ccco2 2230a_100000738650_100000703007 [0,0,0,0,1,1|2,0,0]=4 12705 B17R2.5714 OC(CNCc1ncccn1)c2ccco2 270004a_100000738650_100011532527 [0,0,0,0,1,1|2,0,0]=4 12706 B17R2.5714 OC(CNCc1ncccn1)c2ccsc2 2230a_100000758718_100000703007 [0,0,0,0,1,1|2,0,0]=4 12707 B17R2.5714 OC(CNCc1ncccn1)c2ccsc2 270004a_100000758718_100011532527 [0,0,0,0,1,1|2,0,0]=4 12708 B17R2.5714 OC(CNCc1ncccn1)c2ccsc2 34a_100000758718_100000703007 [0,0,0,0,1,1|2,0,0]=4 12709 B17R2.8341 OC(CNc1ncns1)Cc2ccccc2 27a_100000752270_100000693119 [0,0,0,0,1,1|2,0,0]=4 12710 B17R2.8341 OC(CNc1nncs1)Cc2ccccc2 27a_100000752270_100000739804 [0,0,0,0,1,1|2,0,0]=4 12711 B17R2.8341 O[C@H](COc1ccsc1)Cc2ccccc2 34a_100000106738_100000729385 [0,0,0,0,1,1|2,0,0]=4 12712 B17R2.8341 O[C@H](COc1ccsc1)Cc2ccccc2 7a_100000106738_100000729385 [0,0,0,0,1,1|2,0,0]=4 12713 B17R2.8341 O[C@H](CSc1c[nH]cn1)Cc2ccccc2 62a_100000729385_100000756875 [0,0,0,0,1,1|2,0,0]=4 12714 B17R2.8341 O[C@H](CSc1c[nH]cn1)Cc2ccccc2 62a_100000756875_100000729385 [0,0,0,0,1,1|2,0,0]=4 12715 B17R2.8341 O[C@H](CSc1cc[nH]n1)Cc2ccccc2 62a_100000062575_100000729385 [0,0,0,0,1,1|2,0,0]=4 12716 B17R2.8341 O[C@H](CSc1cc[nH]n1)Cc2ccccc2 62a_100000729385_100000062575 [0,0,0,0,1,1|2,0,0]=4 12717 B17R2.8341 O[C@H](CSc1ccco1)Cc2ccccc2 62a_100000729385_100009814098 [0,0,0,0,1,1|2,0,0]=4 12718 B17R2.8341 O[C@H](CSc1ccco1)Cc2ccccc2 62a_100009814098_100000729385 [0,0,0,0,1,1|2,0,0]=4 12719 B17R2.8341 O[C@H](CSc1cccs1)Cc2ccccc2 62a_100000729385_100011215356 [0,0,0,0,1,1|2,0,0]=4 12720 B17R2.8341 O[C@H](CSc1cccs1)Cc2ccccc2 62a_100011215356_100000729385 [0,0,0,0,1,1|2,0,0]=4 12721 B17R2.8341 O[C@H](CSc1ccoc1)Cc2ccccc2 62a_100000729385_100011215275 [0,0,0,0,1,1|2,0,0]=4 12722 B17R2.8341 O[C@H](CSc1ccoc1)Cc2ccccc2 62a_100011215275_100000729385 [0,0,0,0,1,1|2,0,0]=4 12723 B17R2.8341 O[C@H](CSc1ccon1)Cc2ccccc2 62a_100000729385_100009818083 [0,0,0,0,1,1|2,0,0]=4 12724 B17R2.8341 O[C@H](CSc1ccon1)Cc2ccccc2 62a_100009818083_100000729385 [0,0,0,0,1,1|2,0,0]=4 12725 B17R2.8341 O[C@H](CSc1ccsc1)Cc2ccccc2 62a_100000729385_100000738268 [0,0,0,0,1,1|2,0,0]=4 12726 B17R2.8341 O[C@H](CSc1ccsc1)Cc2ccccc2 62a_100000738268_100000729385 [0,0,0,0,1,1|2,0,0]=4 12727 B17R2.8341 O[C@H](CSc1ccsn1)Cc2ccccc2 62a_100000729385_100009818082 [0,0,0,0,1,1|2,0,0]=4 12728 B17R2.8341 O[C@H](CSc1ccsn1)Cc2ccccc2 62a_100009818082_100000729385 [0,0,0,0,1,1|2,0,0]=4 12729 B17R2.8341 O[C@H](CSc1cscn1)Cc2ccccc2 62a_100000729385_100000751502 [0,0,0,0,1,1|2,0,0]=4 12730 B17R2.8341 O[C@H](CSc1cscn1)Cc2ccccc2 62a_100000751502_100000729385 [0,0,0,0,1,1|2,0,0]=4 12731 B17R2.8341 O[C@H](CSc1ncc[nH]1)Cc2ccccc2 62a_100000729385_100025796157 [0,0,0,0,1,1|2,0,0]=4 12732 B17R2.8341 O[C@H](CSc1ncc[nH]1)Cc2ccccc2 62a_100025796157_100000729385 [0,0,0,0,1,1|2,0,0]=4 12733 B17R2.8341 O[C@H](CSc1ncco1)Cc2ccccc2 62a_100000729385_100011787736 [0,0,0,0,1,1|2,0,0]=4 12734 B17R2.8341 O[C@H](CSc1ncco1)Cc2ccccc2 62a_100011787736_100000729385 [0,0,0,0,1,1|2,0,0]=4 12735 B17R2.8341 O[C@H](CSc1nccs1)Cc2ccccc2 62a_100000211983_100000729385 [0,0,0,0,1,1|2,0,0]=4 12736 B17R2.8341 O[C@H](CSc1nccs1)Cc2ccccc2 62a_100000729385_100000211983 [0,0,0,0,1,1|2,0,0]=4 12737 B19R2.8900 CC(CNCc1ccccc1)Oc2ccccc2 207a_100000755676_100015611070 [0,0,0,0,0,2|2,0,0]=4 12738 B19R2.8900 CC(CNCc1ccccc1)Oc2ccccc2 2230a_100000755676_100015291786 [0,0,0,0,0,2|2,0,0]=4 12739 B19R2.8900 CC(CNCc1ccccc1)Oc2ccccc2 270004a_100000755676_100015611070 [0,0,0,0,0,2|2,0,0]=4 12740 B19R2.8900 CC(CNCc1ccccc1)Oc2ccccc2 34a_100000755676_100015291786 [0,0,0,0,0,2|2,0,0]=4 12741 B19R2.8900 CC(CNCc1ccccn1)Oc2ccccc2 207a_100000755676_100000209966 [0,0,0,0,0,2|1,0,0]=3 12742 B19R2.8900 CC(CNCc1ccccn1)Oc2ccccc2 2230a_100000755676_100000721315 [0,0,0,0,0,2|1,0,0]=3 12743 B19R2.8900 CC(CNCc1ccccn1)Oc2ccccc2 270004a_100000755676_100000209966 [0,0,0,0,0,2|1,0,0]=3 12744 B19R2.8900 CC(CNCc1ccccn1)Oc2ccccc2 34a_100000755676_100000721315 [0,0,0,0,0,2|1,0,0]=3 12745 B19R2.8900 CC(CNCc1ccccn1)Oc2cccnc2 207a_200011219418_100000209966 [0,0,0,0,0,2|2,0,0]=4 12746 B19R2.8900 CC(CNCc1ccccn1)Oc2cccnc2 2230a_200011219418_100000721315 [0,0,0,0,0,2|2,0,0]=4 12747 B19R2.8900 CC(CNCc1ccccn1)Oc2cccnc2 270004a_200011219418_100000209966 [0,0,0,0,0,2|2,0,0]=4 12748 B19R2.8900 CC(CNCc1cccnn1)Oc2ccccc2 2230a_100000755676_100016990269 [0,0,0,0,0,2|2,0,0]=4 12749 B19R2.8900 CC(CNCc1cccnn1)Oc2ccccc2 34a_100000755676_100016990269 [0,0,0,0,0,2|2,0,0]=4 12750 B19R2.8900 CC(CNCc1cnccn1)Oc2ccccc2 2230a_100000755676_100016995436 [0,0,0,0,0,2|2,0,0]=4 12751 B19R2.8900 CC(CNCc1cnccn1)Oc2ccccc2 270004a_100000755676_100000749867 [0,0,0,0,0,2|2,0,0]=4 12752 B19R2.8900 CC(CNCc1cnccn1)Oc2ccccc2 34a_100000755676_100016995436 [0,0,0,0,0,2|2,0,0]=4 12753 B19R2.8900 CC(CNCc1ncccn1)Oc2ccccc2 2230a_100000755676_100000703007 [0,0,0,0,0,2|2,0,0]=4 12754 B19R2.8900 CC(CNCc1ncccn1)Oc2ccccc2 270004a_100000755676_100011532527 [0,0,0,0,0,2|2,0,0]=4 12755 B19R2.8900 CC(CNCc1ncccn1)Oc2ccccc2 34a_100000755676_100000703007 [0,0,0,0,0,2|2,0,0]=4 12756 B19R2.8900 CC(COCc1ccccn1)Cc2ccccc2 34a_100012125295_100000721315 [0,0,0,0,0,2|2,0,0]=4 12757 B19R2.8900 CC(COCc1ccccn1)Cc2ccccc2 7a_100012125295_100000721315 [0,0,0,0,0,2|2,0,0]=4 12758 B19R2.8900 CC(COCc1ccccn1)Oc2ccccc2 34a_200000036796_100000721315 [0,0,0,0,0,2|2,0,0]=4 12759 B19R2.8900 CC(COCc1ccccn1)Oc2ccccc2 7a_200000036796_100000721315 [0,0,0,0,0,2|2,0,0]=4 12760 B19R2.8900 CC(Cc1ccccc1)OCCc2ccccn2 34a_100000210271_200011218536 [0,0,0,0,0,2|2,0,0]=4 12761 B19R2.8900 CC(Cc1ccccc1)OCCc2ccccn2 7a_100000748627_100015183660 [0,0,0,0,0,2|2,0,0]=4 12762 B19R2.8900 CC(Cc1ccccc1)SCCc2ccccn2 62a_100015183660_200011218536 [0,0,0,0,0,2|2,0,0]=4 12763 B19R2.8900 CC(Cc1ccccc1)SCCc2ccccn2 62a_200011218536_100015183660 [0,0,0,0,0,2|2,0,0]=4 12764 B19R2.8900 NC(COCc1ccccn1)Cc2ccccc2 34a_100000739027_100000721315 [0,0,0,0,0,2|2,0,0]=4 12765 B19R2.8900 O=C(CNCc1ccccn1)Nc2ccccc2 270004a_100000742222_100000209966 [0,0,0,0,0,2|0,0,2]=4 12766 B19R2.8900 OC(CNCc1ccccc1)Cc2ccccc2 207a_100000752270_100015611070 [0,0,0,0,0,2|1,0,0]=3 12767 B19R2.8900 OC(CNCc1ccccc1)Cc2ccccc2 2230a_100000752270_100015291786 [0,0,0,0,0,2|1,0,0]=3 12768 B19R2.8900 OC(CNCc1ccccc1)Cc2ccccc2 270004a_100000752270_100015611070 [0,0,0,0,0,2|1,0,0]=3 12769 B19R2.8900 OC(CNCc1ccccn1)Cc2ccccc2 207a_100000752270_100000209966 [0,0,0,0,0,2|0,0,0]=2 12770 B19R2.8900 OC(CNCc1ccccn1)Cc2ccccc2 2230a_100000752270_100000721315 [0,0,0,0,0,2|0,0,0]=2 12771 B19R2.8900 OC(CNCc1ccccn1)Cc2ccccc2 270004a_100000752270_100000209966 [0,0,0,0,0,2|0,0,0]=2 12772 B19R2.8900 OC(CNCc1cccnc1)Cc2ccccc2 207a_100000752270_100000209961 [0,0,0,0,0,2|2,0,0]=4 12773 B19R2.8900 OC(CNCc1cccnc1)Cc2ccccc2 2230a_100000752270_100000741622 [0,0,0,0,0,2|2,0,0]=4 12774 B19R2.8900 OC(CNCc1cccnc1)Cc2ccccc2 270004a_100000752270_100000209961 [0,0,0,0,0,2|2,0,0]=4 12775 B19R2.8900 OC(CNCc1cccnn1)Cc2ccccc2 2230a_100000752270_100016990269 [0,0,0,0,0,2|1,0,0]=3 12776 B19R2.8900 OC(CNCc1ccncc1)Cc2ccccc2 207a_100000752270_100000186114 [0,0,0,0,0,2|2,0,0]=4 12777 B19R2.8900 OC(CNCc1ccncc1)Cc2ccccc2 2230a_100000752270_100015193705 [0,0,0,0,0,2|2,0,0]=4 12778 B19R2.8900 OC(CNCc1cnccn1)Cc2ccccc2 2230a_100000752270_100016995436 [0,0,0,0,0,2|1,0,0]=3 12779 B19R2.8900 OC(CNCc1cnccn1)Cc2ccccc2 270004a_100000752270_100000749867 [0,0,0,0,0,2|1,0,0]=3 12780 B19R2.8900 OC(CNCc1ncccn1)Cc2ccccc2 2230a_100000752270_100000703007 [0,0,0,0,0,2|1,0,0]=3 12781 B19R2.8900 OC(CNCc1ncccn1)Cc2ccccc2 270004a_100000752270_100011532527 [0,0,0,0,0,2|1,0,0]=3 12782 B19R2.8900 O[C@H](CNCc1ccccc1)Cc2ccccc2 2230a_100015324214_100000729385 [0,0,0,0,0,2|1,0,0]=3 12783 B19R2.8900 O[C@H](CNCc1ccccc1)Cc2ccccc2 34a_100015324214_100000729385 [0,0,0,0,0,2|1,0,0]=3 12784 B19R2.8900 O[C@H](CNCc1cccnn1)Cc2ccccc2 2230a_100159270163_100000729385 [0,0,0,0,0,2|1,0,0]=3 12785 B19R2.8900 O[C@H](COCc1ccccc1)Cc2ccccc2 34a_100000210790_100000729385 [0,0,0,0,0,2|2,0,0]=4 12786 B19R2.8900 O[C@H](COCc1ccccc1)Cc2ccccc2 7a_100000210790_100000729385 [0,0,0,0,0,2|2,0,0]=4 12787 B19R2.8900 O[C@H](CSCc1ccccc1)Cc2ccccc2 62a_100000211182_100000729385 [0,0,0,0,0,2|2,0,0]=4 12788 B19R2.8900 O[C@H](CSCc1ccccc1)Cc2ccccc2 62a_100000729385_100015291786 [0,0,0,0,0,2|2,0,0]=4 12789 B19R2.8900 O[C@H](CSCc1ccccn1)Cc2ccccc2 62a_100000721315_100000729385 [0,0,0,0,0,2|1,0,0]=3 12790 B19R2.8900 O[C@H](CSCc1ccccn1)Cc2ccccc2 62a_100000729385_100000721315 [0,0,0,0,0,2|1,0,0]=3 12791 B19R2.8900 O[C@H](CSCc1cccnn1)Cc2ccccc2 62a_100000729385_100016990269 [0,0,0,0,0,2|2,0,0]=4 12792 B19R2.8900 O[C@H](CSCc1cccnn1)Cc2ccccc2 62a_100016990269_100000729385 [0,0,0,0,0,2|2,0,0]=4 12793 B19R2.8900 O[C@H](CSCc1cnccn1)Cc2ccccc2 62a_100000729385_100016995436 [0,0,0,0,0,2|2,0,0]=4 12794 B19R2.8900 O[C@H](CSCc1cnccn1)Cc2ccccc2 62a_100016995436_100000729385 [0,0,0,0,0,2|2,0,0]=4 12795 B19R2.8900 O[C@H](CSCc1ncccn1)Cc2ccccc2 62a_100000703007_100000729385 [0,0,0,0,0,2|2,0,0]=4 12796 B19R2.8900 O[C@H](CSCc1ncccn1)Cc2ccccc2 62a_100000729385_100000703007 [0,0,0,0,0,2|2,0,0]=4 12797 B19R2.16162 OC(CNc1cccnn1)COc2ccccc2 27a_100000738913_100016991348 [0,0,0,0,0,2|1,0,0]=3 12798 B19R2.16162 OC(CNc1ccncn1)COc2ccccc2 27a_100000738913_100000703185 [0,0,0,0,0,2|1,0,0]=3 12799 B19R2.16162 OC(CNc1cnccn1)COc2ccccc2 27a_100000738913_100000211759 [0,0,0,0,0,2|1,0,0]=3 12800 B19R2.16162 OC(CNc1ncccn1)COc2ccccc2 27a_100000738913_100000211032 [0,0,0,0,0,2|1,0,0]=3 12801 B19R2.8899 CC(C=NNCc1ccccn1)c2ccccc2 4a_100000736832_100000212034 [0,0,0,0,0,2|1,0,1]=4 12802 B19R2.8899 CC(CC=NNc1ccccc1)c2ccccc2 4a_100015195140_100000189432 [0,0,0,0,0,2|2,0,0]=4 12803 B19R2.8899 CC(CC=NNc1ccccn1)c2ccccc2 4a_100000183288_100000189432 [0,0,0,0,0,2|1,0,0]=3 12804 B19R2.8899 CC(CC=NNc1cccnn1)c2ccccc2 4a_100000757824_100000189432 [0,0,0,0,0,2|2,0,0]=4 12805 B19R2.8899 CC(CC=NNc1ccncn1)c2ccccc2 4a_100011438088_100000189432 [0,0,0,0,0,2|2,0,0]=4 12806 B19R2.8899 CC(CC=NNc1cnccn1)c2ccccc2 4a_100000736894_100000189432 [0,0,0,0,0,2|2,0,0]=4 12807 B19R2.8899 CC(CC=NNc1ncccn1)c2ccccc2 4a_100000736892_100000189432 [0,0,0,0,0,2|2,0,0]=4 12808 B19R2.8899 CC(CCNCc1ccccc1)c2ccccc2 270004a_100015324214_100000189432 [0,0,0,0,0,2|2,0,0]=4 12809 B19R2.8899 CC(CCNCc1ccccn1)c2ccccc2 270004a_100000210449_100000189432 [0,0,0,0,0,2|1,0,0]=3 12810 B19R2.8899 CC(CNCCc1ccccc1)c2ccccc2 2230a_100000106460_100000756946 [0,0,0,0,0,2|2,0,0]=4 12811 B19R2.8899 CC(CNCCc1ccccc1)c2ccccc2 2230a_100000701038_100000765856 [0,0,0,0,0,2|2,0,0]=4 12812 B19R2.8899 CC(CNCCc1ccccc1)c2ccccc2 270004a_100000106460_100000212034 [0,0,0,0,0,2|2,0,0]=4 12813 B19R2.8899 CC(CNCCc1ccccc1)c2ccccc2 34a_100000106460_100000756946 [0,0,0,0,0,2|2,0,0]=4 12814 B19R2.8899 CC(CNCCc1ccccc1)c2ccccc2 34a_100000701038_100000765856 [0,0,0,0,0,2|2,0,0]=4 12815 B19R2.8899 CC(CNCCc1ccccn1)c2ccccc2 2230a_100000701038_100015183660 [0,0,0,0,0,2|1,0,0]=3 12816 B19R2.8899 CC(CNCCc1ccccn1)c2ccccc2 270004a_100000211156_100000212034 [0,0,0,0,0,2|1,0,0]=3 12817 B19R2.8899 CC(CNCCc1cnccn1)c2ccccc2 270004a_100000723456_100000212034 [0,0,0,0,0,2|2,0,0]=4 12818 B19R2.8899 CC(CNCSc1ccccc1)c2ccccc2 2230a_100000701038_100011218342 [0,0,0,0,0,2|2,0,0]=4 12819 B19R2.8899 CC(COCCc1ccccn1)c2ccccc2 34a_100000210271_100000756946 [0,0,0,0,0,2|2,0,0]=4 12820 B19R2.8899 CC(COCCc1ccccn1)c2ccccc2 7a_100011215166_100015183660 [0,0,0,0,0,2|2,0,0]=4 12821 B19R2.8899 CC(CSCCc1ccccn1)c2ccccc2 62a_100000756946_100015183660 [0,0,0,0,0,2|2,0,0]=4 12822 B19R2.8899 CC(CSCCc1ccccn1)c2ccccc2 62a_100015183660_100000756946 [0,0,0,0,0,2|2,0,0]=4 12823 B19R2.8899 CC(NCCCc1ccccn1)c2ccccc2 269862a_100000689020_100000185851 [0,0,0,0,0,2|2,0,0]=4 12824 B19R2.8899 CC(NCCOc1ccccn1)c2ccccc2 2230a_106741647558_100000230085 [0,0,0,0,0,2|2,0,0]=4 12825 B19R2.8899 CC(NCCOc1ccccn1)c2ccccc2 269862a_106741647558_100000185851 [0,0,0,0,0,2|2,0,0]=4 12826 B19R2.8899 CC(OCC#Cc1ccccn1)c2ccccc2 34a_100011894333_100000211855 [0,0,0,0,0,2|2,0,0]=4 12827 B19R2.8899 CC(OCCCc1ccccn1)c2ccccc2 34a_100011215068_100000211855 [0,0,0,0,0,2|2,0,0]=4 12828 B19R2.8899 CC(OCCNc1ccccc1)c2ccccc2 34a_100000211345_100000211855 [0,0,0,0,0,2|2,0,0]=4 12829 B19R2.8899 CC(OCCSc1ccccn1)c2ccccc2 7a_100000156319_100000230085 [0,0,0,0,0,2|2,0,0]=4 12830 B19R2.8899 CN(CCNCc1ccccn1)c2ccccc2 207a_100000231046_100000209966 [0,0,0,0,0,2|2,0,0]=4 12831 B19R2.8899 CN(CCNCc1ccccn1)c2ccccc2 270004a_100000231046_100000209966 [0,0,0,0,0,2|2,0,0]=4 12832 B19R2.8899 N[C@@H](CCOCc1ccccn1)c2ccccc2 34a_100025705951_100000721315 [0,0,0,0,0,2|2,0,0]=4 12833 B19R2.8899 OC(CCNCc1ccccc1)c2ccccc2 207a_100000763605_100015611070 [0,0,0,0,0,2|1,0,0]=3 12834 B19R2.8899 OC(CCNCc1ccccc1)c2ccccc2 2230a_100000763605_100015291786 [0,0,0,0,0,2|1,0,0]=3 12835 B19R2.8899 OC(CCNCc1ccccc1)c2ccccc2 270004a_100000763605_100015611070 [0,0,0,0,0,2|1,0,0]=3 12836 B19R2.8899 OC(CCNCc1ccccn1)c2ccccc2 207a_100000763605_100000209966 [0,0,0,0,0,2|0,0,0]=2 12837 B19R2.8899 OC(CCNCc1ccccn1)c2ccccc2 2230a_100000763605_100000721315 [0,0,0,0,0,2|0,0,0]=2 12838 B19R2.8899 OC(CCNCc1ccccn1)c2ccccc2 270004a_100000763605_100000209966 [0,0,0,0,0,2|0,0,0]=2 12839 B19R2.8899 OC(CCNCc1cccnc1)c2ccccc2 207a_100000763605_100000209961 [0,0,0,0,0,2|2,0,0]=4 12840 B19R2.8899 OC(CCNCc1cccnc1)c2ccccc2 2230a_100000763605_100000741622 [0,0,0,0,0,2|2,0,0]=4 12841 B19R2.8899 OC(CCNCc1cccnc1)c2ccccc2 270004a_100000763605_100000209961 [0,0,0,0,0,2|2,0,0]=4 12842 B19R2.8899 OC(CCNCc1cccnn1)c2ccccc2 2230a_100000763605_100016990269 [0,0,0,0,0,2|1,0,0]=3 12843 B19R2.8899 OC(CCNCc1ccncc1)c2ccccc2 207a_100000763605_100000186114 [0,0,0,0,0,2|2,0,0]=4 12844 B19R2.8899 OC(CCNCc1ccncc1)c2ccccc2 2230a_100000763605_100015193705 [0,0,0,0,0,2|2,0,0]=4 12845 B19R2.8899 OC(CCNCc1cnccn1)c2ccccc2 2230a_100000763605_100016995436 [0,0,0,0,0,2|1,0,0]=3 12846 B19R2.8899 OC(CCNCc1cnccn1)c2ccccc2 270004a_100000763605_100000749867 [0,0,0,0,0,2|1,0,0]=3 12847 B19R2.8899 OC(CCNCc1ncccn1)c2ccccc2 2230a_100000763605_100000703007 [0,0,0,0,0,2|1,0,0]=3 12848 B19R2.8899 OC(CCNCc1ncccn1)c2ccccc2 270004a_100000763605_100011532527 [0,0,0,0,0,2|1,0,0]=3 12849 B19R2.8899 OC(CNCCc1ccccc1)c2ccccc2 2230a_100000106460_100000185958 [0,0,0,0,0,2|1,0,0]=3 12850 B19R2.8899 OC(CNCCc1ccccc1)c2ccccc2 2230a_100000210709_100000765856 [0,0,0,0,0,2|1,0,0]=3 12851 B19R2.8899 OC(CNCCc1ccccc1)c2ccccc2 34a_100000106460_100000185958 [0,0,0,0,0,2|1,0,0]=3 12852 B19R2.8899 OC(CNCCc1ccccc1)c2ccccn2 2230a_100000691469_100000765856 [0,0,0,0,0,2|2,0,0]=4 12853 B19R2.8899 OC(CNCCc1ccccc1)c2cccnc2 2230a_100020605170_100000765856 [0,0,0,0,0,2|2,0,0]=4 12854 B19R2.8899 OC(CNCCc1ccccn1)c2ccccc2 2230a_100000210709_100015183660 [0,0,0,0,0,2|0,0,0]=2 12855 B19R2.8899 OC(CNCCc1ccccn1)c2ccccn2 2230a_100000691469_100015183660 [0,0,0,0,0,2|1,0,0]=3 12856 B19R2.8899 OC(CNCCc1ccccn1)c2cccnc2 2230a_100020605170_100015183660 [0,0,0,0,0,2|1,0,0]=3 12857 B19R2.8899 OC(CNCCc1cccnc1)c2ccccc2 2230a_100000210709_200011713674 [0,0,0,0,0,2|2,0,0]=4 12858 B19R2.8899 OC(CNCCc1cccnc1)c2ccccc2 2230a_100000736294_100000185958 [0,0,0,0,0,2|2,0,0]=4 12859 B19R2.8899 OC(CNCCc1ccncc1)c2ccccc2 2230a_100000210709_100000723409 [0,0,0,0,0,2|2,0,0]=4 12860 B19R2.8899 OC(CNCSc1ccccc1)c2ccccc2 2230a_100000210709_100011218342 [0,0,0,0,0,2|1,0,0]=3 12861 B19R2.8899 OC(CNCSc1ccccc1)c2ccccn2 2230a_100000691469_100011218342 [0,0,0,0,0,2|2,0,0]=4 12862 B19R2.8899 OC(CNCSc1ccccc1)c2cccnc2 2230a_100020605170_100011218342 [0,0,0,0,0,2|2,0,0]=4 12863 B19R2.8899 OC(COCCc1ccccc1)c2ccccc2 34a_100000210268_100000185958 [0,0,0,0,0,2|2,0,0]=4 12864 B19R2.8899 OC(COCCc1ccccc1)c2ccccc2 7a_100000210268_100000185958 [0,0,0,0,0,2|2,0,0]=4 12865 B19R2.8899 OC(COCCc1ccccn1)c2ccccc2 34a_100000210271_100000185958 [0,0,0,0,0,2|1,0,0]=3 12866 B19R2.8899 OC(COCCc1cnccn1)c2ccccc2 34a_100011349526_100000185958 [0,0,0,0,0,2|2,0,0]=4 12867 B19R2.8899 OC(CSCCc1ccccc1)c2ccccc2 62a_100000185958_100011218657 [0,0,0,0,0,2|2,0,0]=4 12868 B19R2.8899 OC(CSCCc1ccccc1)c2ccccc2 62a_100000765856_100000185958 [0,0,0,0,0,2|2,0,0]=4 12869 B19R2.8899 OC(CSCCc1ccccn1)c2ccccc2 62a_100000185958_100015183660 [0,0,0,0,0,2|1,0,0]=3 12870 B19R2.8899 OC(CSCCc1ccccn1)c2ccccc2 62a_100015183660_100000185958 [0,0,0,0,0,2|1,0,0]=3 12871 B19R2.8899 OC(CSCSc1ccccc1)c2ccccc2 62a_100000185958_100011218342 [0,0,0,0,0,2|2,0,0]=4 12872 B19R2.8899 OC(CSCSc1ccccc1)c2ccccc2 62a_100011218342_100000185958 [0,0,0,0,0,2|2,0,0]=4 12873 B19R2.8899 O[C@H](CCNCc1ccccc1)c2ccccc2 2230a_100015324214_100000729684 [0,0,0,0,0,2|1,0,0]=3 12874 B19R2.8899 O[C@H](CCNCc1ccccc1)c2ccccc2 34a_100015324214_100000729684 [0,0,0,0,0,2|1,0,0]=3 12875 B19R2.8899 O[C@H](CCNCc1cccnn1)c2ccccc2 2230a_100159270163_100000729684 [0,0,0,0,0,2|1,0,0]=3 12876 B19R2.8899 O[C@H](CCOCc1ccccc1)c2ccccc2 34a_100000210790_100000729684 [0,0,0,0,0,2|2,0,0]=4 12877 B19R2.8899 O[C@H](CCOCc1ccccc1)c2ccccc2 7a_100000210790_100000729684 [0,0,0,0,0,2|2,0,0]=4 12878 B19R2.8899 O[C@H](CCSCc1ccccc1)c2ccccc2 62a_100000211182_100000729684 [0,0,0,0,0,2|2,0,0]=4 12879 B19R2.8899 O[C@H](CCSCc1ccccc1)c2ccccc2 62a_100000729684_100015291786 [0,0,0,0,0,2|2,0,0]=4 12880 B19R2.8899 O[C@H](CCSCc1ccccn1)c2ccccc2 62a_100000721315_100000729684 [0,0,0,0,0,2|1,0,0]=3 12881 B19R2.8899 O[C@H](CCSCc1ccccn1)c2ccccc2 62a_100000729684_100000721315 [0,0,0,0,0,2|1,0,0]=3 12882 B19R2.8899 O[C@H](CCSCc1cccnn1)c2ccccc2 62a_100000729684_100016990269 [0,0,0,0,0,2|2,0,0]=4 12883 B19R2.8899 O[C@H](CCSCc1cccnn1)c2ccccc2 62a_100016990269_100000729684 [0,0,0,0,0,2|2,0,0]=4 12884 B19R2.8899 O[C@H](CCSCc1cnccn1)c2ccccc2 62a_100000729684_100016995436 [0,0,0,0,0,2|2,0,0]=4 12885 B19R2.8899 O[C@H](CCSCc1cnccn1)c2ccccc2 62a_100016995436_100000729684 [0,0,0,0,0,2|2,0,0]=4 12886 B19R2.8899 O[C@H](CCSCc1ncccn1)c2ccccc2 62a_100000703007_100000729684 [0,0,0,0,0,2|2,0,0]=4 12887 B19R2.8899 O[C@H](CCSCc1ncccn1)c2ccccc2 62a_100000729684_100000703007 [0,0,0,0,0,2|2,0,0]=4 12888 B19R2.8899 O[C@H](CNCCc1ccccc1)c2ccccc2 2230a_100000106460_100011933945 [0,0,0,0,0,2|1,0,0]=3 12889 B19R2.8899 O[C@H](CNCCc1ccccc1)c2ccccc2 34a_100000106460_100011933945 [0,0,0,0,0,2|1,0,0]=3 12890 B19R2.8899 O[C@H](CNCCc1cccnc1)c2ccccc2 2230a_100000736294_100011933945 [0,0,0,0,0,2|2,0,0]=4 12891 B19R2.8899 O[C@H](COCCc1ccccc1)c2ccccc2 34a_100000210268_100011933945 [0,0,0,0,0,2|2,0,0]=4 12892 B19R2.8899 O[C@H](COCCc1ccccc1)c2ccccc2 7a_100000210268_100011933945 [0,0,0,0,0,2|2,0,0]=4 12893 B19R2.8899 O[C@H](COCCc1ccccn1)c2ccccc2 34a_100000210271_100011933945 [0,0,0,0,0,2|1,0,0]=3 12894 B19R2.8899 O[C@H](COCCc1cnccn1)c2ccccc2 34a_100011349526_100011933945 [0,0,0,0,0,2|2,0,0]=4 12895 B19R2.8899 O[C@H](CSCCc1ccccc1)c2ccccc2 62a_100000765856_100011933945 [0,0,0,0,0,2|2,0,0]=4 12896 B19R2.8899 O[C@H](CSCCc1ccccc1)c2ccccc2 62a_100011933945_100011218657 [0,0,0,0,0,2|2,0,0]=4 12897 B19R2.8899 O[C@H](CSCCc1ccccn1)c2ccccc2 62a_100011933945_100015183660 [0,0,0,0,0,2|1,0,0]=3 12898 B19R2.8899 O[C@H](CSCCc1ccccn1)c2ccccc2 62a_100015183660_100011933945 [0,0,0,0,0,2|1,0,0]=3 12899 B19R2.8899 O[C@H](CSCSc1ccccc1)c2ccccc2 62a_100011218342_100011933945 [0,0,0,0,0,2|2,0,0]=4 12900 B19R2.8899 O[C@H](CSCSc1ccccc1)c2ccccc2 62a_100011933945_100011218342 [0,0,0,0,0,2|2,0,0]=4