0 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 Z45796178 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.28 COCCNCCC1=CC=CC=C1 Z90501852 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.28 NCCCCOCC1=CC=CC=C1 Z285164088 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.28 NCCCOCCC1=CC=CC=C1 Z330915366 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.28 OCCCCNCC1=CC=CC=C1 Z57203042 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.28 OCCCOCCC1=CC=CC=C1 Z445138016 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.44 CC(CC1=NC=CC=C1)NCCF Z2582971155 [1,0,0,0,0,0|1,1,0]=3 9 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 Z44586337 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [1,0,0,0,0,0|2,0,1]=4 15 B15R1.83 CN(CCSCCO)CC1=CC=CC=C1 Z1918304812 [0,1,0,0,0,0|3,0,0]=4 16 B15R1.128 O=C(CC1=CC=C(C=C1)I)NCCCF Z1851684984 [0,1,0,0,0,0|1,1,1]=4 17 B15R1.1409 C#CCCNC(C)CC1=C(C=CC=C1)F Z1763005057 [0,1,0,0,0,0|1,0,1]=3 18 B15R1.1409 O=C(CC1=C(C=CC=C1)Cl)NCCCO Z68224528 [0,1,0,0,0,0|2,0,1]=4 19 B15R2.15 NCC1CCN(C1)CC2=CC=CC=C2 Z317027120 [0,0,0,1,0,0|3,0,0]=4 20 B15R2.15 OCC1CCN(C1)CC2=CC=CC=C2 Z858037946 [0,0,0,1,0,0|3,0,0]=4 21 B15R2.31 CC1CC(CCN1)CC2=CC=CC=C2 Z2160914914 [0,0,0,1,0,0|3,0,0]=4 22 B15R2.31 CC1CCCC(C1)NC2=CC=CC=C2 Z334877922 [0,0,0,1,0,0|3,0,0]=4 23 B15R2.31 NC1CCCN(C1)CC2=CC=CC=C2 Z1270443557 [0,0,0,1,0,0|3,0,0]=4 24 B15R2.31 OC1CCCN(C1)CC2=CC=CC=C2 Z54753361 [0,0,0,1,0,0|3,0,0]=4 25 B15R2.54 OC1CCCCCC1C2=CC=CC=C2 Z1696822750 [0,0,0,1,0,0|3,0,0]=4 26 B15R2.64 NC(CC1=CC=CC=C1)C2CCCC2 Z1266823145 [0,0,0,1,0,0|3,0,0]=4 27 B15R2.64 OC(CC1=CC=CC=C1)C2CCCN2 Z5209485269 [0,0,0,1,0,0|3,0,0]=4 28 B15R2.1435 CC1=NC2=C(N1CCCN)C=CC=C2 Z147642868 [0,0,0,1,0,0|2,0,1]=4 29 B15R2.7956 NC1(CCCCC1)CC2=CC=CC=C2 Z223690244 [0,0,0,1,0,0|3,0,0]=4 30 B15R2.7956 OC1(CCCCC1)CC2=CC=CC=C2 Z57479525 [0,0,0,1,0,0|3,0,0]=4 31 B13R1.24 CC(OCCC#N)C1=CC=CC=C1 Z317037870 [0,0,0,0,1,0|2,0,1]=4 32 B13R1.24 CC(OCCCN)C1=CC=CC=C1 Z99601222 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [0,0,0,0,1,0|3,0,0]=4 34 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [0,0,0,0,1,0|3,0,0]=4 35 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [0,0,0,0,1,0|2,0,1]=4 36 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [0,0,0,0,1,0|1,0,0]=2 37 B13R1.24 CN(CCCCN)C1=CC=CC=C1 Z285162604 [0,0,0,0,1,0|3,0,0]=4 38 B13R1.24 COCCNC(C)C1=CC=CC=C1 Z137543082 [0,0,0,0,1,0|2,0,0]=3 39 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 Z1455806932 [0,0,0,0,1,0|2,0,1]=4 40 B15R1.78 CCCCNC(=O)CSC1=CC=CC=C1 Z19750824 [0,0,0,0,0,1|2,0,1]=4 41 B15R1.78 O=C(CCC1=CC=CC=C1)NCCCO Z68223340 [0,0,0,0,0,1|2,0,1]=4 42 B15R1.78 OCCCNC(=S)NCC1=CC=CC=C1 Z45808332 [0,0,0,0,0,1|2,0,1]=4 43 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [2,0,0,0,0,0|0,0,2]=4 44 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [2,0,0,0,0,0|0,0,0]=2 46 B12R1.8 CCCNCCC1=NC=CC=C1 Z53110779 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.8 OCCCNCC1=CC=NC=C1 Z57455339 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [2,0,0,0,0,0|1,0,0]=3 62 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [2,0,0,0,0,0|2,0,0]=4 68 B14R1.123 CCCCCCCCC1=CC=CC=C1 Z199507044 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.123 COCCNCCCC1=CC=CC=C1 Z90501904 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.123 COCCNCCOC1=CC=CC=C1 Z237732562 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.123 N#CCCCOCCC1=CC=CC=C1 Z362801664 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.123 NCCCCOCCC1=CC=CC=C1 Z362798806 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.123 NCCCNCCCC1=CC=CC=C1 Z600494152 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.422 CN(C)CCNCCC1=CC=CC=C1 Z90512805 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.422 O=C(O)CCNCCC1=CC=CC=C1 Z1270173016 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 Z27761591 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.520 O=C(CCCl)NCCC1=CC=CC=C1 Z240089880 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Br Z105904358 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.33 CN(CCCO)CC1=CC=C(C=C1)Cl Z105905670 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.34 C#CCNC(C)CC1=CC(=CC=C1)F Z1437035606 [1,1,0,0,0,0|0,0,2]=4 81 B14R1.34 CCCNC(=O)CC1=CC(=CC=C1)N Z992264158 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.60 C#CCN(C)C(C)CC1=CC=CC=C1 Z778141970 [1,1,0,0,0,0|0,0,2]=4 83 B14R1.60 C#CCN(C)[C@H](C)CC1=CC=CC=C1 Z2768168341 [1,1,0,0,0,0|0,0,2]=4 84 B14R1.60 CC(CCN)N(C)CC1=CC=CC=C1 Z802903566 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.423 CC(CC1=CC=CC=C1)NCC(=O)O Z2235792090 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.423 CC(O)CNC(=O)CC1=CC=CC=C1 Z68385325 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.743 CN(CC1=CC=CC=C1)C[C@H](O)CO Z1572042228 [1,1,0,0,0,0|2,0,0]=4 88 B14R1.743 COC(=O)NC(C)CC1=CC=CC=C1 Z1509182330 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.946 CCCNC(=O)CC1=C(C=CC=C1)C Z51751528 [1,1,0,0,0,0|1,0,1]=4 90 B14R1.946 CN(CCCO)CC1=C(C=CC=C1)Br Z105237186 [1,1,0,0,0,0|2,0,0]=4 91 B14R1.29 CC(NC(=O)CCCl)C1=CC=CC=C1 Z217707120 [0,1,0,0,1,0|0,0,1]=3 92 B14R1.29 CCCC(=O)NC(C)C1=CC=CC=C1 Z31450109 [0,1,0,0,1,0|1,0,1]=4 93 B14R1.121 CCCCNC(CC)C1=CC=CC=C1 Z334909176 [0,1,0,0,1,0|1,0,0]=3 94 B14R1.163 CC(OCC(O)CN)C1=CC=CC=C1 Z285232796 [0,1,0,0,1,0|2,0,0]=4 95 B14R1.420 CC(C)CCNC(C)C1=CC=CC=C1 Z4927659068 [0,1,0,0,1,0|1,0,0]=3 96 B16R1.1343 CC(CCC1=CC=CC=C1)NCC(O)CO Z56952982 [0,1,0,0,0,1|1,0,0]=3 97 B16R1.1570 CCCC(=O)NC(C)CNC1=CC=CC=C1 Z1428949343 [0,1,0,0,0,1|1,0,1]=4 98 B16R1.1701 C=CCCNC(C)C(C)(C)C1=CC=CC=C1 Z1589459286 [0,2,0,0,0,0|1,0,1]=4 99 B16R1.2925 CCC(O)CNC(C)C(C)C1=CC=CC=C1 Z1666219927 [0,2,0,0,0,0|1,0,0]=3 100 B16R1.2925 CC[C@@H](O)CNC(C)C(C)C1=CC=CC=C1 Z1666221083 [0,2,0,0,0,0|1,0,0]=3 101 B16R1.658 CC(CC1=CC=C(C=C1)Cl)N(C)CCC#N Z1234000574 [0,2,0,0,0,0|1,0,1]=4 102 B16R1.3379 NC(=O)CCN[C@H](CO)CC1=CC=CC=C1 Z2444879464 [0,2,0,0,0,0|1,0,1]=4 103 B16R1.7414 CC1=C(C=CC=C1)CC(C)NCCN(C)C Z1832176323 [0,2,0,0,0,0|2,0,0]=4 104 B14R2.3 NCCCN1CCC2=C1C=CC=C2 Z271005912 [1,0,0,1,0,0|1,0,0]=3 105 B14R2.6 C1=CC=C(C=C1)CC2CCCCN2 Z336080118 [1,0,0,1,0,0|1,0,0]=3 106 B14R2.6 C1=CC=C(C=C1)CC2COCCN2 Z1346385428 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.14 N#C[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z2193456749 [1,0,0,1,0,0|1,0,1]=4 108 B14R2.14 NCC1CCCC1C2=CC=CC=C2 Z2235409216 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.14 OC[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z3626609917 [1,0,0,1,0,0|1,0,0]=3 110 B14R2.24 CC1CCNCC1C2=CC=CC=C2 Z2803578072 [1,0,0,1,0,0|1,0,0]=3 111 B14R2.24 CN1CCNCC1C2=CC=CC=C2 Z3234812034 [1,0,0,1,0,0|2,0,0]=4 112 B14R2.24 C[C@@H]1CCNC[C@@H]1C2=CC=CC=C2 Z2831446470 [1,0,0,1,0,0|1,0,0]=3 113 B14R2.24 NC1CCNCC1C2=CC=CC=C2 Z4510822484 [1,0,0,1,0,0|1,0,0]=3 114 B14R2.30 NC1CCCC1CC2=CC=CC=C2 Z813018506 [1,0,0,1,0,0|2,0,0]=4 115 B14R2.30 OC1CCCC1CC2=CC=CC=C2 Z854048260 [1,0,0,1,0,0|2,0,0]=4 116 B14R2.30 O[C@@H]1CCN[C@@H]1CC2=CC=CC=C2 Z4966451600 [1,0,0,1,0,0|1,0,0]=3 117 B14R2.101 C1=CC(=CC=N1)CCN2CCCC2 Z53116267 [1,0,0,1,0,0|2,0,0]=4 118 B14R2.101 C1=CC=C(C=C1)CCC2CCCN2 Z281773822 [1,0,0,1,0,0|2,0,0]=4 119 B14R2.1253 C1=CC=C(C=C1)C2CCCCCN2 Z1258578207 [1,0,0,1,0,0|2,0,0]=4 120 B14R2.1253 C1=CC=C(C=C1)C2CCCCNC2 Z2310707785 [1,0,0,1,0,0|1,0,0]=3 121 B14R2.1253 C1=CC=C(C=C1)C2CNCCCO2 Z425722882 [1,0,0,1,0,0|1,0,0]=3 122 B14R2.2014 COC1CNCCC2=C1C=CC=C2 Z3716581996 [1,0,0,1,0,0|2,0,0]=4 123 B14R2.2014 NCC1CCCCC2=C1C=CC=C2 Z5341486855 [1,0,0,1,0,0|2,0,0]=4 124 B14R2.7150 CCCC1NCCC2=C1C=CC=C2 Z979717940 [1,0,0,1,0,0|1,0,0]=3 125 B14R2.7150 OCCC1CCCC2=C1C=CC=C2 Z1183459288 [1,0,0,1,0,0|2,0,0]=4 126 B14R2.19 NC1CCC(C1)CC2=CC=CC=C2 Z1233210256 [1,0,0,1,0,0|1,0,0]=3 127 B14R2.19 NC1CCN(C1)CC2=CC=CC=C2 Z104493644 [1,0,0,1,0,0|2,0,0]=4 128 B14R2.19 N[C@H]1CCN(C1)CC2=CC=CC=C2 Z1460105607 [1,0,0,1,0,0|2,0,0]=4 129 B14R2.19 OC1CCN(C1)CC2=CC=CC=C2 Z370712446 [1,0,0,1,0,0|2,0,0]=4 130 B14R2.19 O[C@@H]1CCN(C1)CC2=CC=CC=C2 Z817098778 [1,0,0,1,0,0|2,0,0]=4 131 B14R2.67 CCCNC1CC2=C(C1)C=CC=C2 Z3013892273 [1,0,0,1,0,0|0,0,0]=2 132 B14R2.67 NCCCN1CC2=C(C1)C=CC=C2 Z2724335000 [1,0,0,1,0,0|2,0,0]=4 133 B14R2.90 NCC1CC(C1)CC2=CC=CC=C2 Z5145052097 [1,0,0,1,0,0|1,0,0]=3 134 B14R2.277 CN1CC[C@H]([C@@H]1C2=CC=CC=C2)N Z3072361928 [1,0,0,1,0,0|2,0,0]=4 135 B14R2.411 CC1(CCCN1)CC2=CC=CC=C2 Z1704732682 [1,0,0,1,0,0|0,0,0]=2 136 B14R2.411 NC1(CCCC1)CC2=CC=CC=C2 Z1655103589 [1,0,0,1,0,0|2,0,0]=4 137 B14R2.411 OC1(CCCC1)CC2=CC=CC=C2 Z449370862 [1,0,0,1,0,0|2,0,0]=4 138 B14R2.9593 CN(CC1=CC=CC=C1)CC2CO2 Z285213554 [1,0,0,1,0,0|2,0,0]=4 139 B14R2.8 NCC1CCC(C1)C2=CC=CC=C2 Z2216314446 [0,0,0,1,1,0|2,0,0]=4 140 B14R2.8 OC[C@@H]1CC[C@H](C1)C2=CC=CC=C2 Z2262019790 [0,0,0,1,1,0|2,0,0]=4 141 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 Z104508454 [0,0,0,1,1,0|2,0,0]=4 142 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [0,0,0,1,1,0|2,0,0]=4 143 B14R2.21 NC1CCOC(C1)C2=CC=CC=C2 Z1694636311 [0,0,0,1,1,0|2,0,0]=4 144 B14R2.21 N[C@@H]1CCO[C@H](C1)C2=CC=CC=C2 Z5473978901 [0,0,0,1,1,0|2,0,0]=4 145 B14R2.21 OC1CCOC(C1)C2=CC=CC=C2 Z1192341080 [0,0,0,1,1,0|2,0,0]=4 146 B14R2.21 O[C@@H]1CCN[C@@H](C1)C2=CC=CC=C2 Z3334408669 [0,0,0,1,1,0|1,0,0]=3 147 B14R2.792 CC(NCC1CC1)C2=CC=CC=C2 Z992422550 [0,0,0,1,1,0|1,0,0]=3 148 B16R2.2238 CC(NCC1=CC=CC=C1)C2CCCC2 Z993953816 [0,0,0,1,0,1|2,0,0]=4 149 B16R2.5334 C1=CC=C(C=C1)/C=C/C2CCCCCN2 Z1373592233 [0,0,0,1,0,1|1,0,1]=4 150 B16R2.5334 C1=CC=C(C=C1)C/N=C\2/CCCCCN2 Z2895166572 [0,0,0,1,0,1|1,0,1]=4 151 B16R2.5334 C1=CC=C(C=C1)CNC2CCCCCC2 Z90661353 [0,0,0,1,0,1|2,0,0]=4 152 B16R2.44148 CC(CC1CCC1)NCC2=CC=CC=C2 Z1436907333 [0,0,0,1,0,1|2,0,0]=4 153 B16R2.23 ClCC1CN(CCO1)CC2=CC=CC=C2 Z57046220 [0,1,0,1,0,0|2,0,0]=4 154 B16R2.2938 CC1CN(C1C2=CC=CC=C2)CCC#N Z1318103496 [0,1,0,1,0,0|1,0,1]=4 155 B16R2.2938 COCCN1CC(C1C2=CC=CC=C2)C Z1318103605 [0,1,0,1,0,0|2,0,0]=4 156 B16R2.2209 CC(C1=CC=CC=C1)C2CCCCCN2 Z1947438990 [0,1,0,1,0,0|1,0,0]=3 157 B16R2.6780 C[C@@H]([C@H](O)C1=CC=CC=C1)N2CCCC2 Z1509470378 [0,1,0,1,0,0|1,0,0]=3 158 B16R2.7942 NCC1(CCCCC1)CC2=CC=CC=C2 Z223690280 [0,1,0,1,0,0|2,0,0]=4 159 B16R3.1722 C1=CC2=C(C=C1)C3OCCCNC3C2 Z425722922 [0,0,0,2,0,0|1,0,0]=3 160 B16R3.1722 C1=CC2=C(C=C1)N3CCCNCC3C2 Z1262565062 [0,0,0,2,0,0|1,0,0]=3 161 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,0,0,0,1,0|2,0,0]=4 162 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,0,0,0,1,0|2,0,0]=4 163 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,0,0,0,1,0|2,0,0]=4 164 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,0,0,0,1,0|2,0,0]=4 165 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,0,0,0,1,0|2,0,0]=4 166 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,0,0,0,1,0|0,0,0]=2 167 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [1,0,0,0,1,0|2,0,0]=4 168 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [1,0,0,0,1,0|1,0,0]=3 169 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [1,0,0,0,1,0|2,0,0]=4 170 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [1,0,0,0,1,0|1,0,1]=4