0 B9R1.6 CC(=O)C1=CNCCC1 1P019L18 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1=COCCC1 1P01BSDK [0,0,0,0,0,0|1,1,0]=2 2 B9R1.6 CC(=O)C1=COCCO1 1P01A0MG [0,0,0,0,0,0|1,1,0]=2 3 B9R1.6 CC(=O)C1CCCCC1 1P00337P [0,0,0,0,0,0|2,0,2]=4 4 B9R1.6 CC(=O)C1CCCCN1 1P007DH9 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.6 CC(=O)C1CCCCO1 1P01BY6Z [0,0,0,0,0,0|2,0,2]=4 6 B9R1.6 CC(=O)C1CCCNC1 1P00G51Z [0,0,0,0,0,0|2,0,2]=4 7 B9R1.6 CC(=O)C1CCCNC1 1P00H3H8 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(=O)C1CCCOC1 1P01A63Q [0,0,0,0,0,0|1,1,2]=4 9 B9R1.6 CC(=O)C1CNCCO1 1P000K3R [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 CC(=O)C1COCCO1 1P01A0J7 [0,0,0,0,0,0|1,1,2]=4 11 B9R1.6 CC(=O)N1CCCCC1 1P003DKT [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(=O)N1CCCCO1 1P0288PQ [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 CC(=O)N1CCCOC1 1P028Z9H [0,0,0,0,0,0|2,1,1]=4 14 B9R1.6 CC(=O)[C@@H]1CCCCN1 1P01ANWE [0,0,0,0,0,0|1,0,2]=3 15 B9R1.6 CC(=O)[C@H]1CCCCN1 1P01ANWF [0,0,0,0,0,0|1,0,2]=3 16 B9R1.6 CC(=O)c1ccccc1 1P0036AX [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 CC(=O)c1ccccn1 1P003GS6 [0,0,0,0,0,0|1,0,3]=4 18 B9R1.6 CC(=O)c1cccnc1 1P003JA6 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.6 CC(=O)c1cccnn1 1P007UEX [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 CC(=O)c1ccncc1 1P003L3Q [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 CC(=O)c1ccncn1 1P00BYH9 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 CC(=O)c1ccnnc1 1P006VU7 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 CC(=O)c1cnccn1 1P003O4N [0,0,0,0,0,0|1,0,3]=4 24 B9R1.6 CC(=O)c1cncnc1 1P003DIC [0,0,0,0,0,0|3,0,1]=4 25 B9R1.6 CC(C1=CCCCC1)N 1P00J224 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.6 NC(=O)C1=CCNCC1 1P028UNB [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 NC(=O)C1=CNCCC1 1P00FAZF [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 NC(=O)C1CCCCN1 1P002C8O [0,0,0,0,0,0|2,0,2]=4 29 B9R1.6 NC(=O)C1CCCCN1 1P00G4KZ [0,0,0,0,0,0|2,0,2]=4 30 B9R1.6 NC(=O)C1CNCCN1 1P004SGN [0,0,0,0,0,0|2,0,2]=4 31 B9R1.6 NC(=O)C1COCCN1 1P00G8P7 [0,0,0,0,0,0|1,1,2]=4 32 B9R1.6 NC(=O)C1CSCCN1 1P009T23 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.6 NC(=O)[C@@H]1CCCCN1 1P00H6KN [0,0,0,0,0,0|2,0,2]=4 34 B9R1.6 NC(=O)[C@H]1CCCCN1 1P005E3G [0,0,0,0,0,0|2,0,2]=4 35 B9R1.6 NC(=O)[C@H]1COCCN1 1P01BTVJ [0,0,0,0,0,0|1,1,2]=4 36 B9R1.6 NC(=O)[C@H]1NCCNC1 1P024SD6 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.6 OC(=O)C1=CCCCC1 1P003EPS [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 OC(=O)C1=CCCCO1 1P0034MW [0,0,0,0,0,0|3,0,0]=3 39 B9R1.6 OC(=O)C1=CCCNC1 1P00EFBN [0,0,0,0,0,0|3,0,1]=4 40 B9R1.6 OC(=O)C1=CCCOC1 1P00022F [0,0,0,0,0,0|2,1,1]=4 41 B9R1.6 OC(=O)C1=CCCSC1 1P01AI3M [0,0,0,0,0,0|2,0,1]=3 42 B9R1.6 OC(=O)C1=CCNCC1 1P00330Q [0,0,0,0,0,0|4,0,0]=4 43 B9R1.6 OC(=O)C1=CCOCC1 1P01A72P [0,0,0,0,0,0|4,0,0]=4 44 B9R1.6 OC(=O)C1=COCCC1 1P00CLQT [0,0,0,0,0,0|2,1,0]=3 45 B9R1.6 OC(=O)C1=COCCO1 1P00EJAE [0,0,0,0,0,0|2,1,0]=3 46 B9R1.6 OC(=O)C1=CSCCO1 1P000GOL [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 OC(=O)C1CCCC=C1 1P01A4K3 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.6 OC(=O)C1CCCCN1 1P001QUT [0,0,0,0,0,0|2,0,2]=4 49 B9R1.6 OC(=O)C1CCCCN1 1P0032UQ [0,0,0,0,0,0|2,0,2]=4 50 B9R1.6 OC(=O)C1CCCSC1 1P001SWD [0,0,0,0,0,0|2,0,2]=4 51 B9R1.6 OC(=O)C1CCCSS1 1P00AGUG [0,0,0,0,0,0|3,0,1]=4 52 B9R1.6 OC(=O)C1CNCCN1 1P002UQ4 [0,0,0,0,0,0|2,0,2]=4 53 B9R1.6 OC(=O)C1CNCCN1 1P00JKZR [0,0,0,0,0,0|2,0,2]=4 54 B9R1.6 OC(=O)C1COCCN1 1P00348D [0,0,0,0,0,0|1,1,2]=4 55 B9R1.6 OC(=O)C1COCCN1 1P00348E [0,0,0,0,0,0|1,1,2]=4 56 B9R1.6 OC(=O)C1CSCCN1 1P002KT8 [0,0,0,0,0,0|1,0,2]=3 57 B9R1.6 OC(=O)C1CSCCN1 1P005U2E [0,0,0,0,0,0|1,0,2]=3 58 B9R1.6 OC(=O)C1CSCCS1 1P019POD [0,0,0,0,0,0|2,0,2]=4 59 B9R1.6 OC(=O)C1NCCC=C1 1P0206WO [0,0,0,0,0,0|2,0,1]=3 60 B9R1.6 OC(=O)C1NCCCS1 1P005CY3 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.6 OC(=O)C1NCCCS1 1P028RJW [0,0,0,0,0,0|3,0,1]=4 62 B9R1.6 OC(=O)C1NCCNC1 1P00I64V [0,0,0,0,0,0|2,0,2]=4 63 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0032HJ [0,0,0,0,0,0|2,0,2]=4 64 B9R1.6 OC(=O)[C@@H]1CCCCN1 1P0073ED [0,0,0,0,0,0|2,0,2]=4 65 B9R1.6 OC(=O)[C@@H]1CNCCN1 1P007KK0 [0,0,0,0,0,0|2,0,2]=4 66 B9R1.6 OC(=O)[C@@H]1COCCN1 1P003D2S [0,0,0,0,0,0|1,1,2]=4 67 B9R1.6 OC(=O)[C@@H]1COCCN1 1P0081DN [0,0,0,0,0,0|1,1,2]=4 68 B9R1.6 OC(=O)[C@@H]1NCCNC1 1P000T44 [0,0,0,0,0,0|2,0,2]=4 69 B9R1.6 OC(=O)[C@H]1CCCCN1 1P00C087 [0,0,0,0,0,0|2,0,2]=4 70 B9R1.6 OC(=O)[C@H]1COCCN1 1P0039ZQ [0,0,0,0,0,0|1,1,2]=4 71 B9R1.6 OC(=O)[C@H]1COCCN1 1P003CQE [0,0,0,0,0,0|1,1,2]=4 72 B9R1.6 OC(=O)[C@H]1CSCCN1 1P005OO5 [0,0,0,0,0,0|1,0,2]=3 73 B9R1.6 OC(=O)[C@H]1NCCNC1 1P001R7K [0,0,0,0,0,0|2,0,2]=4 74 B9R1.6 [O-][N+](=O)C1=CCCCC1 1P0033AB [0,0,0,0,0,0|4,0,0]=4 75 B8R1.2 C1CCOC=C1C=O 1P002QWH [1,0,0,0,0,0|1,1,0]=3 76 B8R1.2 C1COC=C(O1)C=O 1P00EBAA [1,0,0,0,0,0|1,1,0]=3 77 B8R1.2 C1OCCC=C1C=O 1P0080J9 [1,0,0,0,0,0|1,1,1]=4 78 B8R1.2 C1SCCC=C1C=O 1P00JSRB [1,0,0,0,0,0|1,0,1]=3 79 B8R1.2 CSC1=NCCCN1 1P00D9CI [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 O=CC1=CCCCC1 1P000IU6 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.2 O=CC1=CCOCC1 1P020KL3 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 O=CC1CCCCN1 1P008UYW [1,0,0,0,0,0|1,0,2]=4 83 B8R1.2 O=CC1CCCSC1 1P00F5E0 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.13 CC1CCC(=CC1)C(=O)O 1P01AF3C [0,1,0,0,0,0|3,0,0]=4 85 B10R1.13 NC1CCC(=CC1)C(=O)O 1P028HMQ [0,1,0,0,0,0|3,0,0]=4 86 B10R1.15 CCC(=O)C1CCCCN1 1P01AII9 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.15 CNC(=O)C1CCCCN1 1P00AAJL [0,1,0,0,0,0|1,0,2]=4 88 B10R1.15 CNC(=O)C1CCCCN1 1P00DD8G [0,1,0,0,0,0|1,0,2]=4 89 B10R1.15 CNC(=O)C1COCCN1 1P027ZDE [0,1,0,0,0,0|0,1,2]=4 90 B10R1.15 CNC(=O)[C@H]1CCCCN1 1P00CHHR [0,1,0,0,0,0|1,0,2]=4 91 B10R1.15 COC(=O)C1=CCCCC1 1P003S0W [0,1,0,0,0,0|2,0,0]=3 92 B10R1.15 COC(=O)C1=CCCNC1 1P00ADME [0,1,0,0,0,0|2,0,1]=4 93 B10R1.15 COC(=O)C1=CCCNC1 1P00IBEV [0,1,0,0,0,0|2,0,1]=4 94 B10R1.15 COC(=O)C1=CCCOC1 1P028PE7 [0,1,0,0,0,0|1,1,1]=4 95 B10R1.15 COC(=O)C1=CCNCC1 1P003S07 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.15 COC(=O)C1=CCOCC1 1P007FI6 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.15 COC(=O)C1=CNCCC1 1P00B583 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.15 COC(=O)C1=COCCC1 1P004OK3 [0,1,0,0,0,0|1,1,0]=3 99 B10R1.15 COC(=O)C1CCCC=C1 1P007MTW [0,1,0,0,0,0|2,0,1]=4 100 B10R1.15 COC(=O)C1CCCCN1 1P003SIT [0,1,0,0,0,0|1,0,2]=4 101 B10R1.15 COC(=O)C1CCCCN1 1P00I8MK [0,1,0,0,0,0|1,0,2]=4 102 B10R1.15 COC(=O)C1COCCN1 1P000SW3 [0,1,0,0,0,0|0,1,2]=4 103 B10R1.15 COC(=O)C1COCCN1 1P0015HE [0,1,0,0,0,0|0,1,2]=4 104 B10R1.15 COC(=O)C1NCCC=C1 1P0206VW [0,1,0,0,0,0|1,0,1]=3 105 B10R1.15 COC(=O)C1NCCNC1 1P0017KE [0,1,0,0,0,0|1,0,2]=4 106 B10R1.15 COC(=O)[C@@H]1CCCCN1 1P0038OA [0,1,0,0,0,0|1,0,2]=4 107 B10R1.15 COC(=O)[C@@H]1COCCN1 1P001KMW [0,1,0,0,0,0|0,1,2]=4 108 B10R1.15 COC(=O)[C@@H]1COCCN1 1P003RZZ [0,1,0,0,0,0|0,1,2]=4 109 B10R1.15 COC(=O)[C@@H]1NCCNC1 1P00EB7O [0,1,0,0,0,0|1,0,2]=4 110 B10R1.15 COC(=O)[C@H]1CCCCN1 1P00764V [0,1,0,0,0,0|1,0,2]=4 111 B10R1.15 COC(=O)[C@H]1COCCN1 1P0038RQ [0,1,0,0,0,0|0,1,2]=4 112 B10R1.15 COC(=O)[C@H]1COCCN1 1P0092S9 [0,1,0,0,0,0|0,1,2]=4 113 B10R1.28 CS(=O)(=O)C1NCCSC1 1P01AKUE [0,1,0,0,0,0|1,0,2]=4 114 B10R1.61 BrC1=C(CCCC1)C(=O)C 1P009YD9 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.61 BrC1=C(CCCC1)C(=O)O 1P006FF2 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.61 CC1CCCC=C1C(=O)O 1P00IAO0 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.61 ClC1=C(CCCC1)C(=O)O 1P00ERMD [0,1,0,0,0,0|3,0,0]=4 118 B10R1.61 NC(=O)C1NCCNC1=O 1P028FR6 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.61 O=C1CCCCC1C(=O)C 1P0036RZ [0,1,0,0,0,0|2,0,1]=4 120 B10R1.61 O=C1CCCCN1C(=O)C 1P00C08G [0,1,0,0,0,0|3,0,0]=4 121 B10R1.61 OC(=O)C1=C(C)OCCC1 1P00DDEW [0,1,0,0,0,0|2,1,0]=4 122 B10R1.61 OC(=O)C1=C(C)OCCO1 1P0080VE [0,1,0,0,0,0|2,1,0]=4 123 B10R1.61 OC(=O)C1=C(C)OCCS1 1P00FEHC [0,1,0,0,0,0|2,1,0]=4 124 B10R1.113 CC1CSCC(N1)C(=O)O 1P01FIWT [0,1,0,0,0,0|1,0,2]=4 125 B10R1.113 O=S1CCCC(=C1)C(=O)O 1P006A1T [0,1,0,0,0,0|2,0,1]=4 126 B10R1.113 OC1CCCC(=C1)C(=O)O 1P028IGO [0,1,0,0,0,0|3,0,0]=4 127 B10R1.363 CC1(NCCC=C1)C(=O)O 1P02813M [0,1,0,0,0,0|2,0,1]=4 128 B8R0.7 C=CCCCCC(=O)C 1P00D0BP [0,0,1,0,0,0|2,0,1]=4 129 B8R0.7 C=CCCNCC(=O)N 1P01BGFU [0,0,1,0,0,0|2,0,1]=4 130 B8R0.7 CCCCC=CC(=O)C 1P001XGQ [0,0,1,0,0,0|2,0,0]=3 131 B8R0.7 CCCCC=CC(=O)O 1P002ENX [0,0,1,0,0,0|3,0,0]=4 132 B8R0.7 CCCC\C=C\C(=O)C 1P0076C0 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.7 CCCS\C=C/C(=O)O 1P028EBP [0,0,1,0,0,0|2,0,0]=3 134 B8R0.7 CSCCCOC(=O)C 1P001X2X [0,0,1,0,0,0|2,0,1]=4 135 B8R0.7 CSCCNCC(=O)O 1P01B5S2 [0,0,1,0,0,0|1,0,2]=4 136 B8R0.7 NCCCCCC(=O)C 1P00IKV4 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.7 NCCCCNC(=O)C 1P00244C [0,0,1,0,0,0|2,0,1]=4 138 B8R0.7 NCCCCNC(=O)C 1P003T5V [0,0,1,0,0,0|2,0,1]=4 139 B8R0.7 NCCCCSC(=O)C 1P01XFJ1 [0,0,1,0,0,0|2,0,1]=4 140 B8R0.7 NC\C=C\C=C\C(=O)O 1P0282JT [0,0,1,0,0,0|2,0,1]=4 141 B8R0.7 OCCS\C=C/C(=O)O 1P028O4K [0,0,1,0,0,0|2,0,0]=3 142 B8R0.7 [O-]C(=O)C=CCCSC 1P028BF9 [0,0,1,0,0,0|2,0,1]=4 143 B8R0.8 CC(=C)C(=O)NCCN 1P00GGS2 [0,0,1,0,0,0|3,0,0]=4 144 B8R0.8 CC(=C)C(=O)NCCO 1P00DIZS [0,0,1,0,0,0|2,1,0]=4 145 B8R0.8 CC(=CCCC)C(=O)O 1P002XFF [0,0,1,0,0,0|3,0,0]=4 146 B8R0.8 CCCNC(=O)C(=O)O 1P0058KI [0,0,1,0,0,0|3,0,0]=4 147 B8R0.8 CCCOC(=O)C(=O)C 1P0028VH [0,0,1,0,0,0|3,0,0]=4 148 B10R2.62 O=C1CC2CC[C@H]1C=C2 1P006GJP [0,0,0,1,0,0|2,0,1]=4 149 B8R1.7 CC(=C)C1=NCCO1 1P008X9F [0,0,0,0,1,0|1,1,1]=4 150 B8R1.7 CC(=O)C1=NCCS1 1P003GRI [0,0,0,0,1,0|0,0,1]=2 151 B8R1.7 CC(=O)C1CCCC1 1P00354R [0,0,0,0,1,0|1,0,2]=4 152 B8R1.7 CC(=O)C1CCCO1 1P00C4ID [0,0,0,0,1,0|1,0,2]=4 153 B8R1.7 CC(=O)C1CNCC1 1P00H3IM [0,0,0,0,1,0|1,0,2]=4 154 B8R1.7 CC(=O)C1CNCC1 1P01EK9N [0,0,0,0,1,0|1,0,2]=4 155 B8R1.7 CC(=O)C1COCC1 1P0097RM [0,0,0,0,1,0|0,1,2]=4 156 B8R1.7 CC(=O)C1CSCC1 1P009O5F [0,0,0,0,1,0|0,0,2]=3 157 B8R1.7 CC(=O)C1NCCS1 1P002CHV [0,0,0,0,1,0|0,0,1]=2 158 B8R1.7 CC(=O)N1CCCC1 1P003EDH [0,0,0,0,1,0|2,0,1]=4 159 B8R1.7 CC(=O)N1CCCO1 1P0288ND [0,0,0,0,1,0|2,0,1]=4 160 B8R1.7 CC(=O)N1COCC1 1P01HYRK [0,0,0,0,1,0|1,1,1]=4 161 B8R1.7 CC(=O)[C@@H]1CCCN1 1P00H3GI [0,0,0,0,1,0|0,0,2]=3 162 B8R1.7 CC(=O)[C@@H]1CCCO1 1P000WFC [0,0,0,0,1,0|1,0,2]=4 163 B8R1.7 CC(=O)c1c[nH]cc1 1P0039FK [0,0,0,0,1,0|1,0,2]=4 164 B8R1.7 CC(=O)c1c[nH]cn1 1P00EB8A [0,0,0,0,1,0|1,0,2]=4 165 B8R1.7 CC(=O)c1c[nH]nc1 1P002QO6 [0,0,0,0,1,0|2,0,1]=4 166 B8R1.7 CC(=O)c1c[nH]nc1 1P01BHYR [0,0,0,0,1,0|2,0,1]=4 167 B8R1.7 CC(=O)c1c[nH]nn1 1P01C1S8 [0,0,0,0,1,0|2,0,1]=4 168 B8R1.7 CC(=O)c1ccc[nH]1 1P003GRE [0,0,0,0,1,0|0,0,2]=3 169 B8R1.7 CC(=O)c1ccco1 1P000IT2 [0,0,0,0,1,0|1,0,2]=4 170 B8R1.7 CC(=O)c1cccs1 1P0035MZ [0,0,0,0,1,0|1,0,2]=4 171 B8R1.7 CC(=O)c1ccn[nH]1 1P00APO8 [0,0,0,0,1,0|1,0,1]=3 172 B8R1.7 CC(=O)c1ccn[nH]1 1P00BGL1 [0,0,0,0,1,0|1,0,1]=3 173 B8R1.7 CC(=O)c1ccno1 1P0049B3 [0,0,0,0,1,0|2,0,1]=4 174 B8R1.7 CC(=O)c1ccns1 1P00C067 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.7 CC(=O)c1ccon1 1P00490X [0,0,0,0,1,0|1,0,2]=4 176 B8R1.7 CC(=O)c1ccsn1 1P00H14V [0,0,0,0,1,0|1,0,2]=4 177 B8R1.7 CC(=O)c1cnco1 1P009KIG [0,0,0,0,1,0|2,0,1]=4 178 B8R1.7 CC(=O)c1cncs1 1P00GT31 [0,0,0,0,1,0|2,0,1]=4 179 B8R1.7 CC(=O)c1cnn[nH]1 1P024SAL [0,0,0,0,1,0|2,0,0]=3 180 B8R1.7 CC(=O)c1cnns1 1P0080BZ [0,0,0,0,1,0|3,0,0]=4 181 B8R1.7 CC(=O)c1cocc1 1P009E7F [0,0,0,0,1,0|0,1,2]=4 182 B8R1.7 CC(=O)c1cocn1 1P00H3H6 [0,0,0,0,1,0|0,1,2]=4 183 B8R1.7 CC(=O)c1cscc1 1P001ETA [0,0,0,0,1,0|0,0,2]=3 184 B8R1.7 CC(=O)c1cscn1 1P007BLA [0,0,0,0,1,0|0,0,2]=3 185 B8R1.7 CC(=O)c1ncc[nH]1 1P00D9MM [0,0,0,0,1,0|1,0,2]=4 186 B8R1.7 CC(=O)c1ncc[nH]1 1P01BDZZ [0,0,0,0,1,0|1,0,2]=4 187 B8R1.7 CC(=O)c1nccs1 1P003D8V [0,0,0,0,1,0|0,0,3]=4 188 B8R1.7 CC(=O)c1nnc[nH]1 1P00ADE4 [0,0,0,0,1,0|2,0,1]=4 189 B8R1.7 CC(C1=NCCN1)N 1P0289XC [0,0,0,0,1,0|2,0,1]=4 190 B8R1.7 ClC(=O)C1CSCC1 1P028ZJR [0,0,0,0,1,0|1,0,2]=4 191 B8R1.7 ClC(=O)N1CSCC1 1P028FU1 [0,0,0,0,1,0|2,0,1]=4 192 B8R1.7 ClC(=O)c1ccc[nH]1 1P01I097 [0,0,0,0,1,0|1,0,2]=4 193 B8R1.7 ClC(=O)c1cscc1 1P00IL11 [0,0,0,0,1,0|1,0,2]=4 194 B8R1.7 ClC(=O)c1cscn1 1P00I7TT [0,0,0,0,1,0|1,0,2]=4 195 B8R1.7 NC(=O)C1CCCN1 1P000GQT [0,0,0,0,1,0|1,0,2]=4 196 B8R1.7 NC(=O)C1CCCN1 1P00BFWF [0,0,0,0,1,0|1,0,2]=4 197 B8R1.7 NC(=O)C1CSCN1 1P007XN0 [0,0,0,0,1,0|1,0,2]=4 198 B8R1.7 NC(=O)[C@@H]1CCCN1 1P0035GU [0,0,0,0,1,0|1,0,2]=4 199 B8R1.7 NC(=O)[C@@H]1CCCN1 1P003D4X [0,0,0,0,1,0|1,0,2]=4 200 B8R1.7 NC(=O)[C@H]1CCCN1 1P006W16 [0,0,0,0,1,0|1,0,2]=4 201 B8R1.7 NC(=O)[C@H]1CCCN1 1P00IBKU [0,0,0,0,1,0|1,0,2]=4 202 B8R1.7 NC(=O)c1ccc[nH]1 1P00DASS [0,0,0,0,1,0|1,0,2]=4 203 B8R1.7 NC(=O)c1cscc1 1P003V9E [0,0,0,0,1,0|1,0,2]=4 204 B8R1.7 NC(=O)c1cscn1 1P00C1EW [0,0,0,0,1,0|1,0,2]=4 205 B8R1.7 NC(=O)c1csnn1 1P00C0TL [0,0,0,0,1,0|2,0,1]=4 206 B8R1.7 O=C(C1=CCOC1)O 1P01JXNN [0,0,0,0,1,0|3,0,0]=4 207 B8R1.7 OC(=O)C1=CCCC1 1P001OVH [0,0,0,0,1,0|2,0,0]=3 208 B8R1.7 OC(=O)C1=CCCO1 1P018SRH [0,0,0,0,1,0|2,0,0]=3 209 B8R1.7 OC(=O)C1=CCCS1 1P01AJ4A [0,0,0,0,1,0|2,0,0]=3 210 B8R1.7 OC(=O)C1=CCNC1 1P028OIS [0,0,0,0,1,0|3,0,0]=4 211 B8R1.7 OC(=O)C1=COCC1 1P00IKH9 [0,0,0,0,1,0|1,1,0]=3 212 B8R1.7 OC(=O)C1=NOCC1 1P01AG5J [0,0,0,0,1,0|2,1,0]=4 213 B8R1.7 OC(=O)C1CCC=C1 1P002NU7 [0,0,0,0,1,0|2,0,1]=4 214 B8R1.7 OC(=O)C1CCCN1 1P003QB6 [0,0,0,0,1,0|1,0,2]=4 215 B8R1.7 OC(=O)C1CCCN1 1P019VB2 [0,0,0,0,1,0|1,0,2]=4 216 B8R1.7 OC(=O)C1CCCS1 1P00ARL8 [0,0,0,0,1,0|2,0,1]=4 217 B8R1.7 OC(=O)C1CSCC1 1P00B6RR [0,0,0,0,1,0|1,0,2]=4 218 B8R1.7 OC(=O)C1CSCN1 1P002UJX [0,0,0,0,1,0|1,0,2]=4 219 B8R1.7 OC(=O)C1NCC=C1 1P003IW1 [0,0,0,0,1,0|1,0,2]=4 220 B8R1.7 OC(=O)C1NCC=C1 1P01EMGG [0,0,0,0,1,0|1,0,2]=4 221 B8R1.7 OC(=O)C1NCCS1 1P001U81 [0,0,0,0,1,0|1,0,1]=3 222 B8R1.7 OC(=O)C1SCCS1 1P00DW6Q [0,0,0,0,1,0|2,0,1]=4 223 B8R1.7 OC(=O)[C@@H]1CCCN1 1P0035JG [0,0,0,0,1,0|1,0,2]=4 224 B8R1.7 OC(=O)[C@@H]1CCCN1 1P005891 [0,0,0,0,1,0|1,0,2]=4 225 B8R1.7 OC(=O)[C@@H]1CSCN1 1P0035JH [0,0,0,0,1,0|1,0,2]=4 226 B8R1.7 OC(=O)[C@@H]1NCC=C1 1P00E9QJ [0,0,0,0,1,0|1,0,2]=4 227 B8R1.7 OC(=O)[C@H]1CCCN1 1P00359V [0,0,0,0,1,0|1,0,2]=4 228 B8R1.7 OC(=O)[C@H]1CSCN1 1P00I8ZG [0,0,0,0,1,0|1,0,2]=4 229 B8R1.7 OC(=O)[C@H]1NCC=C1 1P002DVL [0,0,0,0,1,0|1,0,2]=4 230 B8R1.7 OC(=O)[C@H]1NCC=C1 1P003IW2 [0,0,0,0,1,0|1,0,2]=4 231 B8R1.7 OC(=O)c1ccc[nH]1 1P00360N [0,0,0,0,1,0|1,0,2]=4 232 B8R1.7 OC(=O)c1ccn[nH]1 1P008M23 [0,0,0,0,1,0|2,0,1]=4 233 B8R1.7 OC(=O)c1cnn[nH]1 1P00EIWD [0,0,0,0,1,0|3,0,0]=4 234 B8R1.7 OC(=O)c1cnn[nH]1 1P01JRD6 [0,0,0,0,1,0|3,0,0]=4 235 B8R1.7 OC(=O)c1cscc1 1P00348Y [0,0,0,0,1,0|1,0,2]=4 236 B8R1.7 OC(=O)c1cscn1 1P003MJ5 [0,0,0,0,1,0|1,0,2]=4 237 B8R1.7 OC(=O)c1csnc1 1P0050GK [0,0,0,0,1,0|2,0,1]=4 238 B8R1.7 OC(=O)c1csnn1 1P003DRD [0,0,0,0,1,0|2,0,1]=4 239 B8R1.7 [O-]C(=O)[C@@H]1CCCN1 1P00AQX8 [0,0,0,0,1,0|1,0,2]=4 240 B8R1.7 [O-]C(=O)c1cscn1 1P01A81R [0,0,0,0,1,0|1,0,2]=4 241 B10R1.18 CC(=O)C=C1CCCCC1 1P01A5S0 [0,0,0,0,0,1|2,0,1]=4 242 B10R1.18 CC(=O)CC1CCCCN1 1P01I82G [0,0,0,0,0,1|1,0,2]=4 243 B10R1.18 CC(=O)CC1COCCN1 1P01A6Q5 [0,0,0,0,0,1|0,1,2]=4 244 B10R1.18 CC(=O)OC1=CCCCC1 1P003EPT [0,0,0,0,0,1|2,0,0]=3 245 B10R1.18 OC(=O)CC1=CCCCC1 1P0024QW [0,0,0,0,0,1|3,0,0]=4 246 B10R1.348 OC(=O)C1=CCCCCC1 1P019TE3 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.348 OC(=O)C1=CCCOCC1 1P01C48Q [0,0,0,0,0,1|3,0,0]=4 248 B7R0.1 CCCC\C=C\C=O 1P002H9Q [1,0,1,0,0,0|2,0,0]=4 249 B7R0.4 CC(=O)NCCC#C 1P01C3FB [1,0,1,0,0,0|1,0,1]=4 250 B7R0.4 CC(=O)NCCC#N 1P007VIH [1,0,1,0,0,0|2,0,0]=4 251 B7R0.4 CC(=O)NCCCBr 1P019XXZ [1,0,1,0,0,0|2,0,0]=4 252 B7R0.4 CC(=O)NCCCCl 1P001DGW [1,0,1,0,0,0|2,0,0]=4 253 B7R0.4 CC(=O)NCCCN 1P00CJ9K [1,0,1,0,0,0|1,0,1]=4 254 B7R0.4 CC(=O)NCCCN 1P00DL1J [1,0,1,0,0,0|1,0,1]=4 255 B7R0.4 CC(=O)NCCCO 1P009RY1 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.4 CC(=O)OCCC=C 1P001Q0I [1,0,1,0,0,0|2,0,0]=4 257 B7R0.4 CCCC=CC(=O)C 1P003JZ4 [1,0,1,0,0,0|1,0,0]=3 258 B7R0.4 CCCCNC(=O)C 1P007VII [1,0,1,0,0,0|1,0,1]=4 259 B7R0.4 CCCSCC(=O)C 1P01CANS [1,0,1,0,0,0|1,0,1]=4 260 B7R0.4 CCC\C=C\C(=O)O 1P00HTPU [1,0,1,0,0,0|2,0,0]=4 261 B7R0.4 CCOC=CC(=O)Cl 1P01A0FZ [1,0,1,0,0,0|1,1,0]=4 262 B7R0.4 CCOC=CC(=O)O 1P003AAM [1,0,1,0,0,0|1,1,0]=4 263 B7R0.4 CCO\C=C\C(=O)Cl 1P00IBEN [1,0,1,0,0,0|1,1,0]=4 264 B7R0.4 CCO\C=C\C(=O)O 1P001ERC [1,0,1,0,0,0|1,1,0]=4 265 B7R0.4 CNCCNC(=O)C 1P01A2SE [1,0,1,0,0,0|1,0,1]=4 266 B7R0.4 CNCCNC(=O)C 1P01AF4E [1,0,1,0,0,0|1,0,1]=4 267 B7R0.4 CSCCNC(=O)N 1P005LMJ [1,0,1,0,0,0|1,0,1]=4 268 B7R0.4 C\C=C\C=C\C(=O)C 1P003GC2 [1,0,1,0,0,0|1,0,1]=4 269 B7R0.4 FCCSCC(=O)C 1P01B2Y7 [1,0,1,0,0,0|1,0,1]=4 270 B7R0.4 NCCSCC(=O)O 1P00VUW5 [1,0,1,0,0,0|1,0,1]=4 271 B7R0.5 CCC=C(C(=O)O)F 1P01C40M [1,0,1,0,0,0|2,0,0]=4 272 B7R0.5 CCCC(=C)C(=O)Cl 1P005BJY [1,0,1,0,0,0|2,0,0]=4 273 B7R0.5 CCCC(=C)C(=O)O 1P00EIR9 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.5 CCCC(=O)C(=O)C 1P003G1L [1,0,1,0,0,0|1,0,1]=4 275 B7R0.5 CCNC(=O)C(=O)O 1P00JEDA [1,0,1,0,0,0|1,1,0]=4 276 B7R0.5 CCOC(=C)C(=O)O 1P01Q8PF [1,0,1,0,0,0|2,0,0]=4 277 B7R0.5 CCOC(=O)C(=O)C 1P0035DH [1,0,1,0,0,0|1,1,0]=4 278 B7R0.5 C\C(=C/CC)\C(=O)O 1P003I2Q [1,0,1,0,0,0|2,0,0]=4 279 B7R1.3 C1CC=NC(=O)N1 1P023TVL [2,0,0,0,0,0|2,0,0]=4 280 B7R1.3 C=C1CCCCN1 1P01C54B [2,0,0,0,0,0|1,0,1]=4 281 B7R1.3 CC1CSCCN1 1P00GGVG [2,0,0,0,0,0|0,0,2]=4 282 B7R1.3 C[C@@H]1CSCCN1 1P01EJOQ [2,0,0,0,0,0|0,0,2]=4 283 B7R1.3 C[C@H]1CSCCN1 1P028NM4 [2,0,0,0,0,0|0,0,2]=4 284 B7R1.3 O=C1CCCC=C1 1P0033QS [2,0,0,0,0,0|2,0,0]=4 285 B7R1.3 O=C1CCCCN1 1P0033W9 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.3 O=C1CCCSC1 1P002FDM [2,0,0,0,0,0|1,0,1]=4 287 B7R1.3 O=C1CNCCN1 1P003ICU [2,0,0,0,0,0|1,0,1]=4 288 B7R1.3 O=C1COCCN1 1P003K2V [2,0,0,0,0,0|0,1,1]=4 289 B7R1.3 O=C1CSCCN1 1P0028EL [2,0,0,0,0,0|0,0,1]=3 290 B7R1.3 O=C1NCCC=C1 1P00EDGZ [2,0,0,0,0,0|1,0,0]=3 291 B7R1.3 O=C1NCCCN1 1P003V5G [2,0,0,0,0,0|2,0,0]=4 292 B7R1.3 O=C1NCCCO1 1P003E20 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.3 O=C1NCCCS1 1P001LQ4 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.3 O=C1OCCC=C1 1P003MQL [2,0,0,0,0,0|2,0,0]=4 295 B7R1.3 S=C1CSCCN1 1P002L18 [2,0,0,0,0,0|0,1,1]=4 296 B9R0.2 CCCC=CC=CC(=O)C 1P028NTR [0,1,1,0,0,0|2,0,0]=4 297 B9R0.2 CCCCC\C=C\C(=O)C 1P00348G [0,1,1,0,0,0|2,0,0]=4 298 B9R0.2 NCCCC\C=C\C(=O)O 1P028PA8 [0,1,1,0,0,0|2,0,0]=4 299 B9R0.2 NCCSCCC=C(C)C 1P028KK9 [0,1,1,0,0,0|1,0,1]=4 300 B9R0.46 CCCSC=CC(=O)OC 1P01C4A0 [0,1,1,0,0,0|1,0,0]=3 301 B9R0.46 COC(=O)CCSCCN 1P01AINZ [0,1,1,0,0,0|0,0,2]=4 302 B9R0.46 CSCCC=CC(=O)OC 1P028PHL [0,1,1,0,0,0|1,0,1]=4 303 B9R0.46 NCCSCCC(=O)OC 1P01A1UO [0,1,1,0,0,0|0,0,2]=4 304 B9R0.6 CCOC(=O)C(C(=O)C)N 1P0028IB [0,1,1,0,0,0|0,1,1]=4 305 B9R1.8 O=CCC1=CCCCC1 1P00CT8D [1,1,0,0,0,0|2,0,0]=4 306 B9R1.8 O=CNC1=CCCCC1 1P00763S [1,1,0,0,0,0|2,0,0]=4 307 B9R1.15 O=CC1=C(Br)CCCC1 1P00CMR0 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.15 O=CC1=C(Cl)CCCC1 1P007W51 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.11 BrCC(=O)c1ccc[nH]1 1P005CA3 [0,1,0,0,1,0|0,0,2]=4 310 B9R1.11 BrCC(=O)c1cscc1 1P001ETB [0,1,0,0,1,0|0,0,2]=4 311 B9R1.11 C=CC(=O)C1=CCCC1 1P01BCFC [0,1,0,0,1,0|1,0,1]=4 312 B9R1.11 CCC(=O)[C@@H]1CCCN1 1P01C2EY [0,1,0,0,1,0|0,0,2]=4 313 B9R1.11 CCC(=O)c1ccc[nH]1 1P003ID5 [0,1,0,0,1,0|0,0,2]=4 314 B9R1.11 CCC(=O)c1cnc[nH]1 1P00BHRO [0,1,0,0,1,0|1,0,1]=4 315 B9R1.11 CNC(=O)C1CCCN1 1P019VH8 [0,1,0,0,1,0|0,0,2]=4 316 B9R1.11 CNC(=O)C1CSCN1 1P0289EB [0,1,0,0,1,0|0,0,2]=4 317 B9R1.11 CNC(=O)C1NCC=C1 1P028X44 [0,1,0,0,1,0|0,0,2]=4 318 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00C66X [0,1,0,0,1,0|0,0,2]=4 319 B9R1.11 CNC(=O)[C@@H]1CCCN1 1P00DKAX [0,1,0,0,1,0|0,0,2]=4 320 B9R1.11 COC(=O)C1=CCCC1 1P003S0X [0,1,0,0,1,0|1,0,0]=3 321 B9R1.11 COC(=O)C1=CCCO1 1P005HNO [0,1,0,0,1,0|1,0,0]=3 322 B9R1.11 COC(=O)C1=CCOC1 1P002XE9 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.11 COC(=O)C1=CCSC1 1P003S2J [0,1,0,0,1,0|0,0,2]=4 324 B9R1.11 COC(=O)C1=CSCC1 1P028QT6 [0,1,0,0,1,0|0,0,0]=2 325 B9R1.11 COC(=O)C1=NOCC1 1P006Z2N [0,1,0,0,1,0|1,1,0]=4 326 B9R1.11 COC(=O)C1CCC=C1 1P006Y0C [0,1,0,0,1,0|1,0,1]=4 327 B9R1.11 COC(=O)C1CCCN1 1P00DFHC [0,1,0,0,1,0|0,0,2]=4 328 B9R1.11 COC(=O)C1CCCN1 1P00G418 [0,1,0,0,1,0|0,0,2]=4 329 B9R1.11 COC(=O)C1CCSS1 1P028QBT [0,1,0,0,1,0|1,0,1]=4 330 B9R1.11 COC(=O)C1CSCN1 1P00C8SP [0,1,0,0,1,0|0,0,2]=4 331 B9R1.11 COC(=O)C1NCC=C1 1P00DSTT [0,1,0,0,1,0|0,0,2]=4 332 B9R1.11 COC(=O)C1NCCS1 1P003SJE [0,1,0,0,1,0|0,0,1]=3 333 B9R1.11 COC(=O)[C@@H]1CCCN1 1P0039CV [0,1,0,0,1,0|0,0,2]=4 334 B9R1.11 COC(=O)[C@H]1CCCN1 1P003QCV [0,1,0,0,1,0|0,0,2]=4 335 B9R1.11 COC(=O)[C@H]1NCC=C1 1P007SWR [0,1,0,0,1,0|0,0,2]=4 336 B9R1.11 COC(=O)c1ccc[nH]1 1P000J0Q [0,1,0,0,1,0|0,0,2]=4 337 B9R1.11 COC(=O)c1ccn[nH]1 1P0289ZM [0,1,0,0,1,0|1,0,1]=4 338 B9R1.11 COC(=O)c1cscc1 1P002LY4 [0,1,0,0,1,0|0,0,2]=4 339 B9R1.11 COC(=O)c1cscn1 1P0035OH [0,1,0,0,1,0|0,0,2]=4 340 B9R1.11 COC(=O)c1csnc1 1P00E7EL [0,1,0,0,1,0|1,0,1]=4 341 B9R1.11 COC(=O)c1csnn1 1P00778L [0,1,0,0,1,0|1,0,1]=4 342 B9R1.11 ClCC(=O)c1ccc[nH]1 1P00DIVX [0,1,0,0,1,0|0,0,2]=4 343 B9R1.11 ClCC(=O)c1cscn1 1P00DTQP [0,1,0,0,1,0|0,0,2]=4 344 B9R1.11 ClCC(=O)c1csnn1 1P01DVYV [0,1,0,0,1,0|1,0,1]=4 345 B9R1.11 ICC(=O)c1ccc[nH]1 1P01C1RM [0,1,0,0,1,0|0,0,2]=4 346 B9R1.11 NCC(=O)c1ccc[nH]1 1P027ZXO [0,1,0,0,1,0|0,0,2]=4 347 B9R1.11 NCC(=O)c1cscn1 1P028AIH [0,1,0,0,1,0|0,0,2]=4 348 B9R1.35 Brc1scc(c1)C(=O)C 1P00ECZK [0,1,0,0,1,0|0,0,2]=4 349 B9R1.35 CC(=O)c1cc(c[nH]1)Br 1P00DMFW [0,1,0,0,1,0|0,0,2]=4 350 B9R1.35 CC(=O)c1ccc([nH]1)Br 1P01JZU5 [0,1,0,0,1,0|0,0,2]=4 351 B9R1.35 CC(=O)c1cnc([nH]1)N 1P01EKAT [0,1,0,0,1,0|1,0,1]=4 352 B9R1.35 CC(=O)c1csc(n1)Cl 1P028CI9 [0,1,0,0,1,0|0,0,2]=4 353 B9R1.35 CC(=O)c1csc(n1)N 1P0004JU [0,1,0,0,1,0|0,0,2]=4 354 B9R1.35 CC1CCC(=C1)C(=O)O 1P01A00Q [0,1,0,0,1,0|2,0,0]=4 355 B9R1.35 Cc1scc(c1)C(=O)C 1P00FGLX [0,1,0,0,1,0|0,0,2]=4 356 B9R1.35 Cc1scc(n1)C(=O)C 1P002MB4 [0,1,0,0,1,0|0,0,2]=4 357 B9R1.35 Clc1scc(c1)C(=O)C 1P00IAT3 [0,1,0,0,1,0|0,0,2]=4 358 B9R1.35 NC1CC(=CC1)C(=O)O 1P01B7AU [0,1,0,0,1,0|2,0,0]=4 359 B9R1.35 O=C1CCC(=C1)C(=O)O 1P007D5E [0,1,0,0,1,0|2,0,0]=4 360 B9R1.35 OC(=O)c1csc(=O)[nH]1 1P01A76X [0,1,0,0,1,0|1,0,1]=4 361 B9R1.41 CC(=O)C1CCCC1=O 1P003GS4 [0,1,0,0,1,0|1,0,1]=4 362 B9R1.41 CC(=O)C1CCOC1=O 1P0033JB [0,1,0,0,1,0|0,1,1]=4 363 B9R1.41 CC(=O)N1CCCC1=O 1P003ED1 [0,1,0,0,1,0|2,0,0]=4 364 B9R1.41 CC(=O)N1CCNC1=O 1P00334W [0,1,0,0,1,0|2,0,0]=4 365 B9R1.41 CC(=O)N1CCNC1=S 1P0037SH [0,1,0,0,1,0|2,0,0]=4 366 B9R1.41 CC(=O)N1CCOC1=O 1P007KSU [0,1,0,0,1,0|1,1,0]=4 367 B9R1.41 CC(=O)N1CCSC1=S 1P003JA8 [0,1,0,0,1,0|1,0,0]=3 368 B9R1.41 CC(=O)c1c(Br)cn[nH]1 1P01EM0Q [0,1,0,0,1,0|1,0,1]=4 369 B9R1.41 CC(=O)c1cccn1C 1P003GRG [0,1,0,0,1,0|0,0,2]=4 370 B9R1.41 CC(=O)c1ccnn1C 1P0014IM [0,1,0,0,1,0|1,0,1]=4 371 B9R1.41 CC(=O)c1ccsc1Br 1P0013HS [0,1,0,0,1,0|0,0,2]=4 372 B9R1.41 CC(=O)c1ccsc1N 1P00H3GS [0,1,0,0,1,0|0,0,2]=4 373 B9R1.41 CC(=O)c1cncn1C 1P002KUI [0,1,0,0,1,0|1,0,1]=4 374 B9R1.41 CC(=O)c1cncn1C 1P01BE59 [0,1,0,0,1,0|1,0,1]=4 375 B9R1.41 CC(=O)c1cscc1Br 1P01AVHJ [0,1,0,0,1,0|0,0,2]=4 376 B9R1.41 CC(=O)c1cscc1C 1P028JR5 [0,1,0,0,1,0|0,0,2]=4 377 B9R1.41 CC(=O)c1csnc1C 1P01DWPQ [0,1,0,0,1,0|1,0,1]=4 378 B9R1.41 CC(=O)c1ncsc1C 1P01EC4G [0,1,0,0,1,0|0,0,2]=4 379 B9R1.41 CC1=C(CCC1)C(=O)C 1P00CZS8 [0,1,0,0,1,0|1,0,0]=3 380 B9R1.41 CC1=C(CCC1)C(=O)O 1P005QP8 [0,1,0,0,1,0|2,0,0]=4 381 B9R1.41 CC1=C(CCO1)C(=O)O 1P01DL2D [0,1,0,0,1,0|1,1,0]=4 382 B11R1.40 COC(=O)C=C1COCCN1 1P0282V5 [0,1,0,0,0,1|0,1,1]=4 383 B11R1.40 COC(=O)CC1CSCCN1 1P01AKT6 [0,1,0,0,0,1|0,0,2]=4 384 B11R1.157 CC(=O)NC1=CC(=O)CCC1 1P028BZP [0,1,0,0,0,1|2,0,0]=4 385 B11R1.852 COC(=O)C1=CCCCCC1 1P01A1E9 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.852 COC(=O)C1CNCCSC1 1P01C3PC [0,1,0,0,0,1|0,0,2]=4 387 B11R1.16 CCOC(=O)C1=CCCCC1 1P001WA8 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.16 CCOC(=O)C1=CNCCC1 1P00I70Q [0,2,0,0,0,0|2,0,0]=4 389 B11R1.16 CCOC(=O)C1=CNCCS1 1P01JJ1J [0,2,0,0,0,0|2,0,0]=4 390 B11R1.16 CCOC(=O)C1CSCCN1 1P001R44 [0,2,0,0,0,0|0,0,2]=4 391 B11R1.23 COC(=O)C1=CC(=O)CCC1 1P00D9N3 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.23 COC(=O)C1=CCCC(C1)O 1P028L1X [0,2,0,0,0,0|2,0,0]=4 393 B11R1.222 COC(=O)C1=C(Br)CCCC1 1P01WK82 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.222 COC(=O)C1=CCCCC1O 1P028BL3 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.878 CC1(NCCC=C1)C(=O)OC 1P028HD8 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.156 CC(=O)C1=C(C)CCCC1=O 1P00DS24 [0,2,0,0,0,0|2,0,0]=4 397 B9R1.7 Cc1ccc(o1)CCN 1P0031S1 [0,0,1,1,0,0|1,0,1]=4 398 B9R1.7 Cc1ccc(s1)CCN 1P0015S3 [0,0,1,1,0,0|1,1,0]=4 399 B9R1.7 Cc1ccc(s1)CCN 1P0030KN [0,0,1,1,0,0|1,1,0]=4 400 B9R1.7 Cc1ccn(n1)CCN 1P00EBCC [0,0,1,1,0,0|2,0,0]=4 401 B9R1.7 NCCn1ccc(n1)C 1P01DTPF [0,0,1,1,0,0|2,0,0]=4 402 B9R1.13 CC(=O)NC1=NCCS1 1P01C2WZ [0,0,1,1,0,0|1,0,1]=4 403 B9R1.5 O=C1CCCCC=C1Br 1P01SIRB [0,0,1,1,0,0|2,0,0]=4 404 B9R1.5 O=C1CCCCC=C1F 1P00049H [0,0,1,1,0,0|2,0,0]=4 405 B9R1.23 CCn1cc(c(n1)C)N 1P000Q04 [0,0,1,1,0,0|2,0,0]=4 406 B9R1.23 CCn1cc(c(n1)C)N 1P008XYH [0,0,1,1,0,0|2,0,0]=4 407 B9R1.23 CCn1cc(c(n1)C)N 1P00IIZW [0,0,1,1,0,0|2,0,0]=4 408 B9R1.135 CC1=C(CC1=O)OCC 1P002WU9 [0,0,1,1,0,0|1,1,0]=4 409 B9R2.7 C1C2CC=CC2C1=O 1P00DLJ2 [0,0,0,1,1,0|1,0,1]=4 410 B9R2.39 O=C1CC2CC1C=C2 1P006CL6 [0,0,0,1,1,0|1,0,1]=4 411 B9R2.39 O=C1C[C@@H]2C[C@H]1C=C2 1P01C3HO [0,0,0,1,1,0|1,0,1]=4 412 B11R2.10 O=C1C=C2C(=CCCN2)O1 1P019U85 [0,0,0,1,0,1|2,0,0]=4 413 B11R2.10 O=c1sc2c(s1)SCCS2 1P003KZD [0,0,0,1,0,1|2,0,0]=4 414 B11R2.678 O=C1CC2CSCC(C1)N2 1P00IL2W [0,0,0,1,0,1|0,0,2]=4 415 B11R2.1 Cc1n[nH]c2c1NCCC2 1P009DFV [0,1,0,1,0,0|2,0,0]=4 416 B11R2.1 Cn1ncc2c1NCCS2 1P0284RD [0,1,0,1,0,0|2,0,0]=4 417 B7R1.1 C1CON=C1C=O 1P028L7B [1,0,0,0,1,0|1,1,0]=4 418 B7R1.1 C1SCC=C1C=O 1P000A32 [1,0,0,0,1,0|0,0,2]=4 419 B7R1.1 CCC1=CCCC1 1P003ER5 [1,0,0,0,1,0|1,0,1]=4 420 B7R1.1 CNC1=NCCN1 1P023P8C [1,0,0,0,1,0|2,0,0]=4 421 B7R1.1 CNC1=NCCS1 1P019WUF [1,0,0,0,1,0|1,0,1]=4 422 B7R1.1 COC1=CCCC1 1P0094KJ [1,0,0,0,1,0|2,0,0]=4 423 B7R1.1 CSC1=NCCN1 1P002DOC [1,0,0,0,1,0|2,0,0]=4 424 B7R1.1 CSC1=NCCN1 1P003FK3 [1,0,0,0,1,0|2,0,0]=4 425 B7R1.1 CSC1=NCCS1 1P002CSS [1,0,0,0,1,0|1,0,1]=4 426 B7R1.1 O=CC1=CCCC1 1P00EGML [1,0,0,0,1,0|1,0,0]=3 427 B7R1.1 O=CC1=CCCO1 1P01DC7A [1,0,0,0,1,0|1,0,0]=3 428 B7R1.1 O=CC1CSCC1 1P01BG6V [1,0,0,0,1,0|0,0,2]=4 429 B7R1.1 O=Cc1ccc[nH]1 1P0001Y8 [1,0,0,0,1,0|0,0,2]=4 430 B7R1.1 O=Cc1ccn[nH]1 1P003EVE [1,0,0,0,1,0|1,0,1]=4 431 B7R1.1 O=Cc1cnc[nH]1 1P00309Z [1,0,0,0,1,0|1,0,1]=4 432 B7R1.1 O=Cc1cscc1 1P00348X [1,0,0,0,1,0|0,0,2]=4 433 B7R1.1 O=Cc1cscn1 1P007D9X [1,0,0,0,1,0|0,0,2]=4 434 B7R1.1 O=Cc1csnc1 1P005H6H [1,0,0,0,1,0|1,0,1]=4 435 B7R1.1 O=Cc1csnn1 1P002URS [1,0,0,0,1,0|1,0,1]=4 436 B7R1.18 CC(=O)C1CCC1 1P003PKG [0,0,0,0,2,0|0,0,2]=4 437 B7R1.18 CC(=O)C1CSC1 1P01E9GS [0,0,0,0,2,0|0,0,2]=4 438 B7R1.18 CC(=O)N1CCC1 1P00DLB1 [0,0,0,0,2,0|1,0,1]=4 439 B7R1.18 NC(=O)C1CCN1 1P000VNK [0,0,0,0,2,0|1,0,1]=4 440 B7R1.18 NC(=O)[C@@H]1CCN1 1P01G17Q [0,0,0,0,2,0|1,0,1]=4 441 B7R1.18 OC(=O)C1=CCC1 1P00BJ3Y [0,0,0,0,2,0|1,0,0]=3 442 B7R1.18 OC(=O)C1CCN1 1P002R80 [0,0,0,0,2,0|1,0,1]=4 443 B7R1.18 OC(=O)[C@@H]1CCN1 1P003827 [0,0,0,0,2,0|1,0,1]=4 444 B7R1.18 OC(=O)[C@H]1CCN1 1P005DGN [0,0,0,0,2,0|1,0,1]=4 445 B7R1.18 OC(=O)[C@H]1CCN1 1P00EIWE [0,0,0,0,2,0|1,0,1]=4