0 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 CS-0172701 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.44 O=C(CCCCl)NC1=CC=CC=C1 CS-0326456 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.44 O=C(NCCO)OC1=CC=CC=C1 CS-0259183 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.337 CC(C)CCNCC1=CC=CC=C1 CS-0238811 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.337 CC(C)CCNCC1=NC=CC=C1 CS-0274255 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.337 CC(C)CNCCC1=CC=CC=C1 CS-0256216 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.337 CC(C)NCCCC1=CC=CC=C1 CS-0362527 [1,0,0,0,0,0|2,0,1]=4 7 B15R1.9108 O=C(NC1=CC=CC=C1)OCC(F)(F)F CS-0235860 [0,1,0,0,0,0|3,0,0]=4 8 B15R2.596 O=C(OC1=CC=CC=C1)N2CC(O)C2 CS-0258523 [0,0,0,1,0,0|3,0,0]=4 9 B15R2.1660 CC(C)CNC1=NC2=CC=CC=C2S1 CS-0218973 [0,0,0,1,0,0|2,1,0]=4 10 B15R2.1660 CC(C)CSC1=NC2=CC=CC=C2N1 CS-0071138 [0,0,0,1,0,0|2,1,0]=4 11 B13R1.45 CC(=O)COC(=O)C1=CC=CC=C1 CS-0110783 [0,0,0,0,1,0|1,0,1]=3 12 B13R1.45 CC(C)=NOC(=O)C1=CC=CC=C1 CS-0155160 [0,0,0,0,1,0|1,0,1]=3 13 B13R1.45 CN(C)\C=N\C(=O)C1=CC=CC=C1 CS-0665006 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 CS-0561184 [0,0,0,0,1,0|1,0,2]=4 15 B13R1.348 CC(C)CC(C)NC1=CC=CC=C1 CS-0698475 [0,0,0,0,1,0|2,0,1]=4 16 B13R1.348 CC(C)CC(O)CC1=CC=CC=C1 CS-0154247 [0,0,0,0,1,0|0,0,2]=3 17 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 CS-0233546 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 CS-0358192 [0,0,0,0,1,0|2,1,0]=4 19 B13R1.348 CC(N)CC(=O)NC1=CC=CC=C1 CS-0236346 [0,0,0,0,1,0|2,0,0]=3 20 B15R1.5919 C(C(=O)OCC(C)C)=CC1=CC=CC=C1 CS-W015404 [0,0,0,0,0,1|0,0,1]=2 21 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 CS-0258721 [0,0,0,0,0,1|2,0,1]=4 22 B15R1.5919 C[C@@H](N)CNC(=O)OCC1=CC=CC=C1 CS-0236325 [0,0,0,0,0,1|2,0,0]=3 23 B12R1.8 CCCCCCC1=CC=CC=C1 CS-0196489 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.8 CCCCNCC1=CC=CC=C1 CS-0076885 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.8 CCCCOCC1=CC=CC=C1 CS-0363241 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.8 NCCOCCC1=CC=CC=C1 CS-0261839 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.32 CCNC(=O)NC1=CC=CC=C1 CS-0298621 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.32 CCNC(=O)OC1=CC=CC=C1 CS-0539213 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.32 CCOC(=O)CC1=CN=CC=N1 CS-W000736 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.32 CCOC(=O)NC1=CC=CC=C1 CS-0312803 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.32 CCOC(=O)NC1=CC=CN=C1 CS-0468958 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.32 CCOC(=O)NC1=NC=CC=C1 CS-0088372 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 CS-0449179 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.32 NCCS(=O)CC1=CC=CC=C1 CS-0259289 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 CS-W016982 [2,0,0,0,0,0|2,0,0]=4 36 B14R1.33 CCCCC(=O)NC1=CC=C(O)C=C1 CS-0362301 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.33 CCCNC(=O)CC1=CC=C(Br)C=C1 CS-0757247 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.33 NC1=CC=C(CC(=O)NCCO)C=C1 CS-0252577 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.33 O=C(CC1=CC=C(O)C=C1)NCCO CS-0259475 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.34 CCCCC(=O)NC1=CC(O)=CC=C1 CS-0362197 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.34 CCCNC(=O)NC1=CC=CC(N)=C1 CS-0248861 [1,1,0,0,0,0|2,0,0]=4 42 B14R1.34 COCCC(=O)CC1=CC=CC(F)=C1 CS-0258246 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.34 NCCNC(=O)CC1=CC=CC(F)=C1 CS-0216804 [1,1,0,0,0,0|2,0,0]=4 44 B14R1.946 O=C(CC1=CC=CC=C1Br)NCCO CS-0673306 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.677 CC(C)CNCCC1=CC=C(F)C=C1 CS-0246436 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.818 CC(C)CC(=O)OCC1=CC=CC=C1 CS-0273910 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.3331 CC(C)(C)CCNCC1=CC=CC=C1 CS-0234328 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.3331 CC(C)(O)CCNCC1=CC=CC=C1 CS-0263330 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.149 CC(C)CNC(=O)C1=CC(Br)=CC=C1 CS-0451185 [0,1,0,0,1,0|1,0,0]=3 50 B14R1.149 CC(C)CNC(=O)C1=CC=CC(O)=C1 CS-0513075 [0,1,0,0,1,0|1,0,0]=3 51 B14R1.163 CC(C#N)CNC(=O)C1=CC=CC=C1 CS-0233783 [0,1,0,0,1,0|1,0,1]=4 52 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 CS-W015844 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.678 CC(C)CCC(=O)C1=CC=C(Cl)C=C1 CS-0251276 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.678 CC(C)CNC(=O)C1=CC=C(Br)C=C1 CS-0205885 [0,1,0,0,1,0|1,0,0]=3 55 B14R1.678 CC(C)CNC(=O)C1=CC=C(N)C=C1 CS-0249844 [0,1,0,0,1,0|1,0,0]=3 56 B14R1.813 CC(C)CNS(=O)(=O)C1=CC=CC=C1 CS-0259940 [0,1,0,0,1,0|2,0,0]=4 57 B14R1.3098 CC(C)(C)NOC(=O)C1=CC=CC=C1 CS-0454743 [0,1,0,0,1,0|1,0,0]=3 58 B14R1.337 CC(C)NC(=O)NC1=CC=CC=C1N CS-0249011 [0,1,0,0,1,0|2,0,0]=4 59 B14R1.433 CC(C)(C)OC(=O)CC1=CC=CC=N1 CS-0334031 [0,1,0,0,1,0|1,0,0]=3 60 B14R1.433 CC(C)(C)OC(=O)CC1=CC=NC=C1 CS-0455896 [0,1,0,0,1,0|1,0,0]=3 61 B14R1.549 CC(C)CC(CN)CC1=CC=CC=C1 CS-0256503 [0,1,0,0,1,0|1,0,1]=4 62 B14R1.698 CC(C)NC(=O)CC1=CC=C(N)C=C1 CS-0246650 [0,1,0,0,1,0|1,0,0]=3 63 B14R1.5978 CC(C)CC(=O)CC1=CC=CC(Cl)=C1 CS-0257872 [0,1,0,0,1,0|0,0,0]=2 64 B16R1.1067 CN(C)CCNC(=O)CC1=CC=C(N)C=C1 CS-0247358 [0,1,0,0,0,1|2,0,0]=4 65 B16R1.1343 O=C(NCC(O)CO)OCC1=CC=CC=C1 CS-0258929 [0,1,0,0,0,1|2,0,0]=4 66 B16R1.1343 O=C(NC[C@H](O)CO)OCC1=CC=CC=C1 CS-0309484 [0,1,0,0,0,1|2,0,0]=4 67 B16R1.22556 CC(C)(C)NCC(=O)OCC1=CC=CC=C1 CS-0570822 [0,1,0,0,0,1|2,0,0]=4 68 B16R1.22556 O=C(NCC1=CC=CC=C1)OCC(F)(F)F CS-0215057 [0,1,0,0,0,1|2,0,0]=4 69 B16R1.4 CC(C)COC(=O)NC1=CC=C(CO)C=C1 CS-W020504 [0,2,0,0,0,0|1,0,0]=3 70 B16R1.560 COC(CNC(=O)CC1=CC=CC=C1)OC CS-0163232 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.4526 CC(C)COC(=O)CCC1=CC=CO1 CS-0929594 [0,0,1,1,0,0|1,0,1]=4 72 B14R2.24 O=C1NCCSC1C2=CC=CC=C2 CS-0006428 [1,0,0,1,0,0|2,0,0]=4 73 B14R2.9589 O=C(CC1=CC=CC=C1)C2CCC2 CS-0091947 [1,0,0,1,0,0|1,0,0]=3 74 B14R2.9589 O=C(NC1=CC=CC=C1)C2CCC2 CS-0308308 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.9593 O=C(CC1CC1)NC2=CC=CC=C2 CS-0247665 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.9593 O=C(NC1CC1)OC2=CC=CC=C2 CS-0763773 [1,0,0,1,0,0|2,0,0]=4 77 B14R2.2 CC(C)CN1C=NC2=CC=CC=C21 CS-0274296 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.31359 CC(C)C1NCCC2=CC=CC=C21 CS-0231798 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.403 CC1(C)COC(C2=CN=CC=C2)=N1 CS-0313918 [0,0,0,1,1,0|2,0,0]=4 80 B14R2.422 NC1CN(C(=O)C2=CC=CC=C2)C1 CS-0330555 [0,0,0,1,1,0|2,0,0]=4 81 B14R2.792 O=C(OCC1CO1)C2=CC=CC=C2 CS-0696928 [0,0,0,1,1,0|1,0,0]=3 82 B14R2.598 NC1CC(=O)N(C2=CC=CC=C2)C1 CS-0117235 [0,0,0,1,1,0|2,0,0]=4 83 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 CS-W016015 [0,0,0,1,1,0|1,0,1]=4 84 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 CS-0033862 [0,0,0,1,1,0|2,0,0]=4 85 B14R2.738 CC1CC(=O)NC2=CC=CC=C2S1 CS-0247626 [0,0,0,1,1,0|2,0,0]=4 86 B14R2.768 CC(C)CC1=NC2=CC=CC=C2N1 CS-0246679 [0,0,0,1,1,0|2,0,0]=4 87 B14R2.8189 CC1(C)CC(=O)NC2=CC=CC=C21 CS-0340819 [0,0,0,1,1,0|1,0,0]=3 88 B16R2.317 NC1CCC(=O)N(CC2=CC=CC=C2)C1 CS-0050699 [0,0,0,1,0,1|2,0,0]=4 89 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(O)C2 CS-0049835 [0,0,0,1,0,1|2,0,0]=4 90 B16R2.3322 O=C(OCC1=CC=CC=C1)N2CC(Br)C2 CS-0049844 [0,0,0,1,0,1|2,0,0]=4 91 B16R2.3322 O=C(OCC1=CC=CC=C1)[C@H]2C[C@H](O)C2 CS-0049795 [0,0,0,1,0,1|2,0,0]=4 92 B16R2.12599 CC1(C)CSC(NCC2=CC=CC=C2)=N1 CS-0219042 [0,0,0,1,0,1|1,1,0]=4 93 B12R1.30 CCCCC(=O)C1=CC=CC=N1 CS-0205154 [1,0,0,0,1,0|2,0,0]=4 94 B12R1.30 CCCCC(=O)C1=CN=CC=C1 CS-0357971 [1,0,0,0,1,0|2,0,0]=4 95 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CS-0339564 [1,0,0,0,1,0|1,0,0]=3 96 B12R1.30 CCCNC(=O)C1=CN=CC=C1 CS-0160379 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.30 CCSCC(=O)C1=CC=CC=C1 CS-0239496 [1,0,0,0,1,0|2,0,0]=4 98 B12R1.30 CNCCC(=O)C1=CC=CC=C1 CS-0150996 [1,0,0,0,1,0|2,0,0]=4 99 B12R1.30 NCCNC(=O)C1=CC=CC=C1 CS-0215713 [1,0,0,0,1,0|2,0,0]=4 100 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CS-0063826 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 CS-0117057 [1,0,0,0,1,0|2,0,0]=4 102 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CS-0449058 [1,0,0,0,1,0|2,0,0]=4 103 B12R1.252 CC(C)CNCC1=NC=CC=C1 CS-0122969 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.252 CC(O)CNCC1=CC=CC=C1 CS-0217778 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 CS-0158775 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.107 CC(C)CC(=O)C1=NC=CC=C1 CS-0205229 [0,0,0,0,2,0|1,0,0]=3 107 B12R1.107 CC(C)C[C@@H](N)C1=CC=CC=C1 CS-0196532 [0,0,0,0,2,0|1,0,1]=4 108 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 CS-0667157 [0,0,0,0,2,0|1,0,0]=3 109 B12R1.107 CC(C)OC(=O)C1=CC=CN=C1 CS-0240172 [0,0,0,0,2,0|1,0,0]=3 110 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 CS-0435545 [0,0,0,0,2,0|1,0,0]=3 111 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 CS-0116842 [0,0,0,0,2,0|2,0,0]=4 112 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 CS-0205060 [0,0,0,0,2,0|1,0,0]=3 113 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 CS-0260401 [0,0,0,0,2,0|2,0,0]=4 114 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 CS-0151341 [0,0,0,0,2,0|2,0,0]=4 115 B14R1.156 C(C(=O)OCCC)=CC1=CC=CC=C1 CS-W015889 [1,0,0,0,0,1|0,0,1]=3 116 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 CS-0160239 [1,0,0,0,0,1|1,0,0]=3 117 B14R1.156 COCNC(=O)OCC1=CC=CC=C1 CS-0059823 [1,0,0,0,0,1|2,0,0]=4 118 B14R1.156 NCCNC(=O)COC1=CC=CC=C1 CS-0247555 [1,0,0,0,0,1|2,0,0]=4 119 B14R1.156 O=C(NCC1=CC=CC=C1)OCCO CS-0066611 [1,0,0,0,0,1|1,0,0]=3 120 B16R1.608 CN(C)CCCC(=O)OCC1=CC=CC=C1 CS-0751153 [0,0,0,0,0,2|2,0,0]=4