0 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O CS-0070771 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1F CS-0316915 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1F CS-0072544 [0,0,0,0,0,0|2,0,0]=2 3 B14R1.160 O=C(O)CNC(=O)C1=NC=CC=C1O CS-0070060 [0,0,0,0,0,0|2,0,0]=2 4 B14R1.160 O=C(O)CSC(=O)C1=CC=CC=C1Cl CS-0321765 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 CS-0698816 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 CS-0362468 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.45 CC(=O)OCC(=O)C1=NC=CC=C1 CS-0508887 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 CS-0451199 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=N1 CS-0695326 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 CS-0695854 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.158 O=C(O)CCCC1=CC=CC=C1Br CS-0222506 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CS-0345970 [1,0,0,0,0,0|0,0,1]=2 13 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 CS-0205537 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.158 O=C(O)C\C=C\C1=CC=CC=C1F CS-M0695 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.674 C=CCCC(=O)C1=CC=CC=C1F CS-0253275 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.674 C=CCNC(=O)C1=CC=CC=C1N CS-0157989 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.674 N#CSCC(=O)C1=CC=CC=C1O CS-0457810 [1,0,0,0,0,0|2,0,1]=4 18 B15R1.5793 CC(CC(=O)C1=CC=CC=C1F)C(=O)O CS-0263900 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.5793 CC1=C(C(=O)N[C@@H](C)C(=O)O)C=CC=C1 CS-0967678 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.5793 C[C@H](NC(=O)C1=C(Cl)C=CC=C1)C(=O)O CS-0972527 [0,1,0,0,0,0|2,0,0]=3 21 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O CS-0597090 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1F CS-0361840 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.5815 COC(=O)CCC(=O)C1=CC=CC=C1N CS-0667718 [0,1,0,0,0,0|1,0,0]=2 24 B15R1.5822 CC1=CC(Br)=CC=C1C(=O)CCC(=O)O CS-0467025 [0,1,0,0,0,0|1,0,0]=2 25 B15R1.5822 O=C(O)CNC(=O)C1=C(Cl)C=C(Cl)C=C1 CS-0071125 [0,1,0,0,0,0|2,0,0]=3 26 B15R1.8312 O=C(O)CNC(=O)C1=C(F)C=CC=C1F CS-0234419 [0,1,0,0,0,0|2,0,0]=3 27 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 CS-0072869 [0,0,0,1,0,0|3,0,0]=4 28 B15R2.6 O=C(O)CCN1N=NC2=CC=CC=C21 CS-0208412 [0,0,0,1,0,0|3,0,0]=4 29 B15R2.629 CC(=O)CN1CC2=CC=CC=C2C1=O CS-0237169 [0,0,0,1,0,0|3,0,0]=4 30 B15R2.8791 CC1(C2=CC=CC=C2F)CC1C(=O)O CS-0291077 [0,0,0,1,0,0|2,0,1]=4 31 B15R2.14951 O=C1OC(C(=O)O)CC2=CC=CC=C12 CS-0071788 [0,0,0,1,0,0|2,0,0]=3 32 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1F CS-0224639 [0,0,0,0,1,0|2,0,0]=3 33 B13R1.201 C\C(=C/C(=O)O)C1=CC=CC=C1F CS-0356269 [0,0,0,0,1,0|2,0,1]=4 34 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br CS-0312637 [0,0,0,0,1,0|2,0,1]=4 35 B15R1.256 O=C(O)CCC(=O)NC1=C(Cl)C=CC=C1 CS-0073617 [0,0,0,0,0,1|1,0,0]=2 36 B15R1.8019 O=C(O)CCCC(=O)C1=CC=CC=C1F CS-0360551 [0,0,0,0,0,1|1,0,0]=2 37 B15R1.8019 O=C(O)CCNC(=O)C1=CC=CC=C1Cl CS-0307642 [0,0,0,0,0,1|1,0,0]=2 38 B12R1.30 CSCCC(=O)C1=CC=CC=C1 CS-0248256 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.252 O=C(O)CCOC1=CC=CN=C1 CS-0252961 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.308 CCCC(=O)C1=CC=CC=C1Cl CS-0094479 [2,0,0,0,0,0|1,0,1]=4 41 B14R1.149 CC1=CC=CC(C(=O)CCC(=O)O)=C1 CS-0071725 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.149 NC(=O)CNC(=O)C1=CC=CC(O)=C1 CS-0261319 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.149 NC1=CC(C(=O)CCC(=O)O)=CC=C1 CS-0230227 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.415 CC(NC(=O)C1=CC=CN=C1)C(=O)O CS-0700241 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.415 CC(SC(=S)C1=CC=CC=C1)C(=O)O CS-0133368 [1,1,0,0,0,0|1,1,0]=4 46 B14R1.415 C[C@H](NC(=O)C1=CN=CC=C1)C(=O)O CS-0207610 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.417 CC(=O)NC(O)C(=O)C1=CC=CC=C1 CS-0234422 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.417 CC(CC(=O)O)C(=O)C1=CC=CC=C1 CS-0260680 [1,1,0,0,0,0|0,0,0]=2 49 B14R1.678 CC(=O)COC(=O)C1=CC=C(Cl)C=C1 CS-0191734 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.678 CC(=O)COC(=O)C1=CC=C(F)C=C1 CS-0191733 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 CS-0155006 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.678 CC1=CC=C(C(N)CCC(=O)O)C=C1 CS-0149772 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.678 O=C(O)CCC(=O)C1=CC=C(O)C=C1 CS-W000648 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.678 O=C(O)CNC(=O)C1=CC=C(F)C=C1 CS-0307438 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.96 COC1=CC=CC=C1CCCC(=O)O CS-0215429 [1,1,0,0,0,0|0,0,1]=3 56 B14R1.161 CC1=CC=CC=C1CC[C@@H](N)C(=O)O CS-0525242 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.161 CC1=CC=CC=C1CC[C@H](N)C(=O)O CS-0525233 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.161 NC(CCC1=CC=CC=C1Cl)C(=O)O CS-0443245 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.161 N[C@@H](CCC1=CC=CC=C1Cl)C(=O)O CS-0525235 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.161 N[C@@H](CCC1=CC=CC=C1F)C(=O)O CS-0525183 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.337 N[C@H](CC(=O)O)CC1=CC=CC=C1Br CS-0156696 [1,1,0,0,0,0|1,0,1]=4 62 B14R1.837 COC(=O)CCOC1=CC=CC=C1N CS-0264047 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.4464 O=C(O)CCCC1=C(F)C=C(F)C=C1 CS-0441170 [1,1,0,0,0,0|1,0,1]=4 64 B14R1.4464 O=C(O)CCCC1=CC=C(Cl)C=C1Cl CS-0434278 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.4464 O=C(O)CCOC1=CC=C(Br)C=C1F CS-0263148 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.4464 O=C(O)C\C=C\C1=C(F)C=C(F)C=C1 CS-0775964 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.587 C[C@@H](CO)NC(=O)C1=CC=CC=C1O CS-0235981 [1,1,0,0,0,0|1,0,1]=4 68 B14R1.918 O=C(CCCCl)C1=CC(F)=CC=C1O CS-0224132 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.918 O=C(NCCO)C1=C(O)C=CC(O)=C1 CS-0213084 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.939 COC1=CC=CC=C1C(=O)CCC#N CS-0036858 [1,1,0,0,0,0|1,0,1]=4 71 B14R1.4354 O=C(O)CCC(=O)C1=C(Cl)SC(Cl)=C1 CS-0229884 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.840 COC1=CC=CC=C1C(N)CC(=O)O CS-0102812 [0,1,0,0,1,0|1,0,1]=4 73 B14R1.5805 NC1=CC=CC=C1S(=O)(=O)CC(=O)O CS-0680275 [0,1,0,0,1,0|2,0,0]=4 74 B14R1.6048 NC(CC(=O)O)C1=C(O)C=C(O)C=C1 CS-0466175 [0,1,0,0,1,0|1,0,1]=4 75 B16R1.1369 CCC1=CC=CC=C1NC(=O)CCC(=O)O CS-0314815 [0,1,0,0,0,1|1,0,0]=3 76 B16R1.1369 CSC1=CC=CC=C1NC(=O)CCC(=O)O CS-0313372 [0,1,0,0,0,1|0,1,0]=3 77 B16R1.7413 CC(NC(=O)NC1=C(Cl)C=CC=C1)C(=O)O CS-0173004 [0,1,0,0,0,1|2,0,0]=4 78 B16R1.11019 O=C(O)CCS(=O)(=O)CC1=CC=CC=C1F CS-0677480 [0,1,0,0,0,1|2,0,0]=4 79 B16R1.697 O=CNC1=CC=CC=C1C(=O)CCC(=O)O CS-0663593 [0,2,0,0,0,0|0,0,1]=3 80 B16R1.5566 COC1=CC=CC=C1C(=O)CC(C)C(=O)O CS-0586676 [0,2,0,0,0,0|0,0,0]=2 81 B16R1.5638 COC1=CC=C(C(=O)CCC(=O)O)C(Cl)=C1 CS-0232485 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=N1 CS-0071598 [0,0,1,1,0,0|2,0,0]=4 83 B14R1.4450 O=C(O)CN1C=CC=C(C(=O)O)C1=O CS-0039045 [0,0,1,1,0,0|2,0,0]=4 84 B14R2.68 O=C1CC=C(C2=CC=CC=C2)CC1 CS-0465710 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 CS-0034860 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.287 O=C1CCC(=O)C2=C(C=CC=N2)N1 CS-0225144 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.779 O=C(O)[C@H]1C[C@@H](C2=CC=CC=C2)C1 CS-0623138 [1,0,0,1,0,0|1,0,1]=4 88 B14R2.9520 CC1(C2=CC=CC=C2)CC1C(=O)O CS-0233814 [1,0,0,1,0,0|1,0,1]=4 89 B14R2.25733 N[C@@H]1C[C@H](C(=O)O)C2=CC=CC=C21 CS-0799292 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.25733 N[C@H]1C[C@@H](C(=O)O)C2=CC=CC=C21 CS-1056898 [1,0,0,1,0,0|1,0,1]=4 91 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 CS-W021423 [1,0,0,1,0,0|0,1,1]=4 92 B14R2.768 O=C(O)CC1CC2=CC=CC=C2O1 CS-0465896 [1,0,0,1,0,0|0,0,1]=3 93 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 CS-0342036 [1,0,0,1,0,0|2,0,0]=4 94 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2C1 CS-0127844 [1,0,0,1,0,0|2,0,0]=4 95 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)N1 CS-0005418 [1,0,0,1,0,0|1,0,1]=4 96 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2O1 CS-0489443 [1,0,0,1,0,0|0,0,1]=3 97 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2C1 CS-0127837 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.5443 CC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O CS-0489170 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.8032 O=C(O)C1CCC2=C(Br)C=CC=C21 CS-0310016 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.8032 O=C(O)C1CCC2=C1C=CC=C2Cl CS-0183254 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.8051 O=C1CC[C@@H](O)C2=CC=CC(O)=C12 CS-0144126 [1,0,0,1,0,0|0,0,1]=3 102 B14R2.2 O=C(O)CC1=NOC2=CC=CN=C21 CS-0696892 [0,0,0,1,1,0|2,0,0]=4 103 B14R2.450 CC1C2=CC=CC=C2OC1C(=O)O CS-0283075 [0,0,0,1,1,0|1,0,1]=4 104 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2O1 CS-0456278 [0,0,0,1,1,0|1,0,1]=4 105 B16R2.3989 O=C(O)CC1=CC2=CC=CC=C2NC1=O CS-0139364 [0,0,0,1,0,1|1,0,1]=4 106 B16R2.3989 O=C(O)CC1CC2=CC=CC=C2NC1=O CS-0172722 [0,0,0,1,0,1|1,0,0]=3 107 B16R2.22630 CC1=C2NC(CCC(=O)O)=NC2=CC=C1 CS-0229847 [0,0,0,1,0,1|2,0,0]=4 108 B16R2.93202 O=C(O)CC1C(=O)NC2=C1C=CC=C2Br CS-0247377 [0,0,0,1,0,1|1,0,0]=3 109 B16R2.81677 CC(=O)N1CCC(=O)C2=C(C=CC=C2)C1 CS-0047294 [0,0,0,1,0,1|2,0,0]=4 110 B16R2.7861 COC1=CC=CC=C1C2(C)CC2C(=O)O CS-0263037 [0,1,0,1,0,0|1,0,1]=4 111 B16R2.83538 O=C(O)CN1C=NC2=CC=CC=C2C1=O CS-0714296 [0,1,0,1,0,0|2,0,0]=4 112 B16R2.83538 O=C(O)CN1CCC2=CC=CC=C2C1=O CS-0238025 [0,1,0,1,0,0|2,0,0]=4 113 B16R2.83538 O=C(O)CN1N=NC2=CC=CC=C2C1=O CS-0070106 [0,1,0,1,0,0|2,0,0]=4 114 B16R2.104522 CN1C=C(CCC(=O)O)C2=CC=CC=C21 CS-0207361 [0,1,0,1,0,0|2,0,0]=4 115 B16R2.22833 CC1=CC=CC2=C1NC=C2CCC(=O)O CS-0217781 [0,1,0,1,0,0|2,0,0]=4 116 B16R2.12 NC(CC1=COC2=CC=CC=C12)C(=O)O CS-0670723 [0,1,0,1,0,0|1,0,0]=3 117 B16R2.12 N[C@@H](CC1=CSC2=CC=CC=C12)C(=O)O CS-0042028 [0,1,0,1,0,0|1,1,0]=4 118 B16R2.1170 COC(=O)CN1CC2=C(C=CC=C2)C1=O CS-0258509 [0,1,0,1,0,0|2,0,0]=4 119 B16R2.2976 CC1=CC2=C(C=C1)C(CCC(=O)O)=CN2 CS-0217983 [0,1,0,1,0,0|2,0,0]=4 120 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(Br)=C2 CS-0464774 [0,1,0,1,0,0|2,0,0]=4 121 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(F)C=C2)O1 CS-0155729 [0,1,0,1,0,0|0,0,2]=4 122 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(O)C=C2)O1 CS-0242956 [0,1,0,1,0,0|0,0,2]=4 123 B16R2.133406 O=C1OC(C(=O)O)CC2=CC(F)=CC=C12 CS-0248393 [0,1,0,1,0,0|2,0,0]=4 124 B16R2.22904 CC1=CC=CC2=C1C(CCC(=O)O)=CN2 CS-0218015 [0,1,0,1,0,0|2,0,0]=4 125 B16R2.12029 O=C(O)CN1CC2=C(C=C(F)C=C2)C1=O CS-0526054 [0,1,0,1,0,0|2,0,0]=4 126 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(F)C=C12 CS-0047092 [0,1,0,1,0,0|2,0,0]=4 127 B16R2.23501 O=C1CC(C(=O)O)OC2=C1C=C(Cl)C=C2 CS-0235371 [0,1,0,1,0,0|0,0,0]=2 128 B16R2.23501 O=C1CC(C(=O)O)OC2=C1C=C(F)C=C2 CS-0215005 [0,1,0,1,0,0|0,0,0]=2 129 B16R2.23501 O=C1OC(C(=O)O)CC2=CC=C(Br)C=C12 CS-0239994 [0,1,0,1,0,0|2,0,0]=4 130 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C21 CS-0445457 [0,1,0,1,0,0|1,0,0]=3 131 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 CS-W016955 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 CS-0099849 [1,0,0,0,1,0|2,0,0]=4 133 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 CS-0106072 [1,0,0,0,1,0|1,0,1]=4 134 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CS-0225208 [1,0,0,0,1,0|0,0,2]=4 135 B12R1.125 CC(=O)NCC1=CC=CC=C1O CS-0160433 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 CS-0683022 [1,0,0,0,1,0|2,0,0]=4 137 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O CS-0887088 [1,0,0,0,1,0|1,0,1]=4 138 B12R1.125 CC1=CC=CN=C1CCC(=O)O CS-0455101 [1,0,0,0,1,0|2,0,0]=4 139 B12R1.125 CC1=CC=NC=C1CCC(=O)O CS-0035484 [1,0,0,0,1,0|2,0,0]=4 140 B12R1.125 CC1=NC=CC=C1CCC(=O)O CS-0038252 [1,0,0,0,1,0|2,0,0]=4 141 B12R1.125 NC(=O)CCC1=CC=CC=C1F CS-0578642 [1,0,0,0,1,0|2,0,0]=4 142 B12R1.125 O=C(O)CCC1=NC=CC=C1Br CS-0468630 [1,0,0,0,1,0|2,0,0]=4 143 B12R1.125 O=C(O)CNC1=CC=CC=C1O CS-0346271 [1,0,0,0,1,0|1,0,0]=3 144 B12R1.125 O=C(O)COC1=CC=CC=C1I CS-0235846 [1,0,0,0,1,0|2,0,0]=4 145 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O CS-0452787 [0,0,0,0,2,0|1,0,0]=3 146 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 CS-0962431 [0,0,0,0,2,0|1,0,1]=4 147 B12R1.124 N[C@H](C(=O)O)C1=C(O)C=CC=C1 CS-0962443 [0,0,0,0,2,0|1,0,1]=4 148 B12R1.124 O=C(O)C(=O)C1=CC=CC=C1F CS-0341015 [0,0,0,0,2,0|1,0,0]=3 149 B12R1.124 O=C(O)C(O)C1=C(O)C=CC=C1 CS-0894090 [0,0,0,0,2,0|0,0,2]=4 150 B14R1.420 C\C(=N/OCC(=O)O)C1=CC=CC=C1 CS-0468996 [1,0,0,0,0,1|2,0,0]=4 151 B14R1.420 N[C@H](CCCC(=O)O)C1=CC=CC=C1 CS-0455901 [1,0,0,0,0,1|1,0,1]=4 152 B14R1.420 O=C(OCC[N+](=O)[O-])C1=CC=CC=C1 CS-0511999 [1,0,0,0,0,1|1,0,1]=4 153 B16R1.7414 O=C(O)CSCC(=O)NC1=CC=CC=C1F CS-0221673 [0,0,0,0,0,2|1,0,0]=3 154 B16R1.10817 CC(=O)NCCNC(=O)C1=CC=CC=C1N CS-0231727 [0,0,0,0,0,2|2,0,0]=4 155 B16R1.10817 O=C(O)CCCCC(=O)C1=CC=CC=C1Cl CS-0578750 [0,0,0,0,0,2|1,0,0]=3