0 B12R1.32 CCOC(=O)CC1=CC=CN=C1 HY-W002001 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.28 NCCOCC1=CC=CC=C1 HY-W017834 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.40 C=CC(=O)NC1=CC=CC=C1 HY-W018582 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 HY-W077680 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 HY-Y0168 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HY-41413 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 HY-W017398 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.19 CCOC(=O)CC1=CC=C(O)C=C1 HY-W016483 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 HY-W016618 [0,1,0,0,0,0|0,0,1]=2 11 B13R1.47 CCOC(=O)C(O)C1=CC=CC=C1 HY-W027038 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.47 CCOC(=O)[C@H](N)C1=CC=CC=C1 HY-W014168 [0,1,0,0,0,0|0,0,0]=1 13 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HY-W041470 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.15 O=C1CCCN1C2=CC=CC=C2 HY-W103463 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.26 CCSC1=NC2=C(C=CC=C2)N1 HY-W030562 [0,0,0,1,0,0|2,1,0]=4 16 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 HY-A0066 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 HY-A0066A [0,0,0,1,0,0|2,0,0]=3 18 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 HY-101360 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 HY-76222 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.16 CCCC(=O)C1=CC=CC=C1 HY-W010265 [0,0,0,0,1,0|1,0,0]=2 21 B11R1.16 CCOC(=O)C1=CC=CC=C1 HY-W017439 [0,0,0,0,1,0|0,0,0]=1 22 B11R1.16 O=C(CCCl)C1=CC=CC=C1 HY-107857 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.16 O=C(NCO)C1=CC=CN=C1 HY-116993 [0,0,0,0,1,0|3,0,0]=4 24 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HY-W236273 [0,0,0,0,0,1|0,0,1]=2 25 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HY-Y0121 [0,0,0,0,0,1|0,0,1]=2 26 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 HY-B1185 [0,0,0,0,0,1|2,0,0]=3 27 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [2,0,0,0,0,0|1,0,0]=3 34 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.18 O=C(O)CC1=NC=CC=N1 HY-34190 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.30 CCCCC(O)C1=CC=CC=C1 HY-B1273 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 HY-W019714 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 HY-W014824 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 HY-W010255A [1,1,0,0,0,0|1,0,1]=4 47 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 HY-B2020 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [1,1,0,0,0,0|1,0,1]=4 50 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 HY-135326 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084 [1,1,0,0,0,0|0,0,0]=2 52 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084R [1,1,0,0,0,0|0,0,0]=2 53 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 HY-W028684 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.194 CC[N+](C)(C)CC1=CC=CC=C1 HY-B2232 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258 [0,1,0,0,1,0|0,0,0]=2 56 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258A [0,1,0,0,1,0|0,0,0]=2 57 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 HY-Y0258R [0,1,0,0,1,0|0,0,0]=2 58 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934 [0,1,0,0,1,0|0,0,0]=2 59 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 HY-B0934R [0,1,0,0,1,0|0,0,0]=2 60 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 HY-W003995 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 HY-W011777 [0,1,0,0,1,0|0,0,0]=2 62 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [0,1,0,0,1,0|1,0,1]=4 63 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 HY-W017195 [0,1,0,0,1,0|0,0,0]=2 64 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 HY-W010105 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 HY-W016216 [0,1,0,0,1,0|1,0,0]=3 66 B12R1.308 CCOC(=O)C1=CC=CC=C1O HY-Y1074 [0,1,0,0,1,0|0,0,0]=2 67 B14R1.32 CCNC(=O)\C=C\C1=CC=CC(Br)=C1 HY-B1274 [0,1,0,0,0,1|1,0,1]=4 68 B14R1.60 CCOC(=O)C(=O)NC1=NC=CC=C1 HY-Z4758 [0,1,0,0,0,1|1,0,1]=4 69 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 HY-W012255 [0,1,0,0,0,1|0,0,0]=2 70 B14R1.756 N[C@H](CO)C(=O)OCC1=CC=CC=C1 HY-W035886 [0,1,0,0,0,1|2,0,0]=4 71 B14R1.5978 CC(C)OC(=O)NC1=CC=CC(Cl)=C1 HY-W014240 [0,2,0,0,0,0|1,0,0]=3 72 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 HY-W015061 [0,2,0,0,0,0|1,0,1]=4 73 B12R2.18 O=C1CC2=CC=CC=C2C1=O HY-W013580 [1,0,0,1,0,0|1,0,1]=4 74 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [1,0,0,1,0,0|1,0,0]=3 75 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [1,0,0,1,0,0|1,0,0]=3 76 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [1,0,0,0,1,0|0,0,2]=4 77 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [1,0,0,0,1,0|1,0,0]=3 78 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [1,0,0,0,1,0|1,0,0]=3 79 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [1,0,0,0,1,0|1,0,0]=3 81 B10R1.15 COC(=O)C1=NC=CC=N1 HY-78337 [1,0,0,0,1,0|2,0,0]=4 82 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [1,0,0,0,1,0|2,0,0]=4 83 B10R1.15 O=C(O[K])C1=CC=CC=C1 HY-W103932 [1,0,0,0,1,0|1,0,0]=3 84 B10R1.15 O=C(O[Na])C1=CC=CC=C1 HY-Y1316 [1,0,0,0,1,0|1,0,0]=3 85 B10R1.15 O=S(O[Na])C1=CC=CC=C1 HY-W013598 [1,0,0,0,1,0|2,0,0]=4 86 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 HY-N0216A [1,0,0,0,1,0|1,0,0]=3 87 B10R1.11 CCOC(=O)C1=CNN=C1 HY-100040 [0,0,0,0,2,0|2,0,0]=4 88 B10R1.11 CCOC(=O)C1=COC=N1 HY-69111 [0,0,0,0,2,0|2,0,0]=4 89 B10R1.11 CCOC(=O)C1=NC=CN1 HY-20460 [0,0,0,0,2,0|2,0,0]=4 90 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HY-76448 [0,0,0,0,0,2|0,0,0]=2