0 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)CCCc3cccs3 1458a_200020592144_100010992444 [0,0,0,0,0,1|2,0,0]=3 1 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)CCCn3cccn3 1458a_200020592144_100000739983 [0,0,0,0,0,1|3,0,0]=4 2 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3c[nH]cn3 527a_100000755092_200020592144 [0,0,0,0,0,1|2,0,0]=3 3 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccco3 240690a_100000694680_200020592144 [0,0,0,0,0,1|1,1,0]=3 4 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccco3 527a_100000694680_200020592144 [0,0,0,0,0,1|1,1,0]=3 5 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cccs3 240690a_100000203755_200020592144 [0,0,0,0,0,1|1,0,0]=2 6 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cccs3 527a_100000203755_200020592144 [0,0,0,0,0,1|1,0,0]=2 7 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccsc3 240690a_100000692642_200020592144 [0,0,0,0,0,1|3,0,0]=4 8 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccsc3 527a_100000692642_200020592144 [0,0,0,0,0,1|3,0,0]=4 9 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cncs3 240690a_100016991637_200020592144 [0,0,0,0,0,1|2,0,0]=3 10 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cncs3 527a_100016991637_200020592144 [0,0,0,0,0,1|2,0,0]=3 11 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ncc[nH]3 240690a_100000754300_200020592144 [0,0,0,0,0,1|1,0,0]=2 12 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ncc[nH]3 527a_100000754300_200020592144 [0,0,0,0,0,1|1,0,0]=2 13 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nccs3 240690a_100015186391_200020592144 [0,0,0,0,0,1|0,0,0]=1 14 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nccs3 527a_100015186391_200020592144 [0,0,0,0,0,1|0,0,0]=1 15 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cccc3 240690a_100011368172_200020592144 [0,0,0,0,0,1|3,0,0]=4 16 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cccc3 527a_100011368172_200020592144 [0,0,0,0,0,1|3,0,0]=4 17 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cccn3 240690a_100011200920_200020592144 [0,0,0,0,0,1|2,0,0]=3 18 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cccn3 527a_100011200920_200020592144 [0,0,0,0,0,1|2,0,0]=3 19 B31R3.382232118 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cncn3 240690a_200000738561_200020592144 [0,0,0,0,0,1|3,0,0]=4 20 B31R3.395804509 COc1ccc(cc1)CN2C(=O)CCC(C2=O)OCC(=O)NCCc3cccs3 34a_102526427418_100000198571 [0,0,0,0,0,1|3,0,0]=4 21 B31R3.395804509 COc1ccc(cc1)CN2C(=O)CCC(C2=O)SCC(=O)NCCc3cccs3 62a_100000198571_106835379317 [0,0,0,0,0,1|3,0,0]=4 22 B31R3.395804509 COc1ccc(cc1)CN2C(=O)CCC(C2=O)SCC(=O)NCCc3cccs3 62a_106835379317_100000198571 [0,0,0,0,0,1|3,0,0]=4 23 B28R3.37737616 O=C(CCC1NC(=S)N(C1=O)Cc2ccccc2)NCCc3cccs3 240690a_100000203755_100000052224 [2,0,0,0,0,0|1,1,0]=4 24 B28R3.37737616 O=C(CCC1NC(=S)N(C1=O)Cc2ccccc2)NCCc3cccs3 527a_100000203755_100000052224 [2,0,0,0,0,0|1,1,0]=4 25 B28R3.37737616 O=C(CCC1NC(=S)N(C1=O)Cc2ccccc2)NCCc3ncc[nH]3 240690a_100000754300_100000052224 [2,0,0,0,0,0|1,1,0]=4 26 B28R3.37737616 O=C(CCC1NC(=S)N(C1=O)Cc2ccccc2)NCCc3ncc[nH]3 527a_100000754300_100000052224 [2,0,0,0,0,0|1,1,0]=4 27 B28R3.37737616 O=C(CCC1NC(=S)N(C1=O)Cc2ccccc2)NCCc3nccs3 240690a_100015186391_100000052224 [2,0,0,0,0,0|0,1,0]=3 28 B28R3.37737616 O=C(CCC1NC(=S)N(C1=O)Cc2ccccc2)NCCc3nccs3 527a_100015186391_100000052224 [2,0,0,0,0,0|0,1,0]=3 29 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cccn3C 240690a_100011251756_200020592144 [0,1,0,0,0,1|1,0,1]=4 30 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cccn3C 527a_100011251756_200020592144 [0,1,0,0,0,1|1,0,1]=4 31 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nccn3C 240690a_100015187083_200020592144 [0,1,0,0,0,1|1,0,0]=3 32 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nccn3C 527a_100015187083_200020592144 [0,1,0,0,0,1|1,0,0]=3 33 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ncnn3C 240690a_100000686402_200020592144 [0,1,0,0,0,1|2,0,0]=4 34 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ncnn3C 527a_100000686402_200020592144 [0,1,0,0,0,1|2,0,0]=4 35 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nncn3C 240690a_100000752238_200020592144 [0,1,0,0,0,1|2,0,0]=4 36 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nncn3C 527a_100000752238_200020592144 [0,1,0,0,0,1|2,0,0]=4 37 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3scnc3C 240690a_100000238517_200020592144 [0,1,0,0,0,1|2,0,0]=4 38 B32R3.442392774 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3scnc3C 527a_100000238517_200020592144 [0,1,0,0,0,1|2,0,0]=4 39 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccc(o3)C 527a_100000739271_200020592144 [0,1,0,0,0,1|1,1,0]=4 40 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccc(s3)Br 240690a_100000217605_200020592144 [0,1,0,0,0,1|1,0,0]=3 41 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccc(s3)Br 527a_100000217605_200020592144 [0,1,0,0,0,1|1,0,0]=3 42 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cn(cn3)C 240690a_106430523030_200020592144 [0,1,0,0,0,1|2,0,0]=4 43 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cn(cn3)C 527a_106430523030_200020592144 [0,1,0,0,0,1|2,0,0]=4 44 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3csc(n3)C 240690a_102495365028_200020592144 [0,1,0,0,0,1|2,0,0]=4 45 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3csc(n3)C 527a_102495365028_200020592144 [0,1,0,0,0,1|2,0,0]=4 46 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nc(cs3)C 240690a_100000736835_200020592144 [0,1,0,0,0,1|0,0,0]=2 47 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nc(cs3)C 527a_100000736835_200020592144 [0,1,0,0,0,1|0,0,0]=2 48 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nc(no3)C 240690a_100000747544_200020592144 [0,1,0,0,0,1|1,1,0]=4 49 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nc(no3)C 527a_100000747544_200020592144 [0,1,0,0,0,1|1,1,0]=4 50 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ncn(n3)C 240690a_100103148823_200020592144 [0,1,0,0,0,1|2,0,0]=4 51 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ncn(n3)C 527a_100103148823_200020592144 [0,1,0,0,0,1|2,0,0]=4 52 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nnc(s3)C 240690a_100000733084_200020592144 [0,1,0,0,0,1|1,0,0]=3 53 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3nnc(s3)C 527a_100000733084_200020592144 [0,1,0,0,0,1|1,0,0]=3 54 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cc(cn3)Br 240690a_100000730845_200020592144 [0,1,0,0,0,1|2,0,0]=4 55 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cc(cn3)Br 527a_100000730845_200020592144 [0,1,0,0,0,1|2,0,0]=4 56 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cc(cn3)Cl 240690a_200000238484_200020592144 [0,1,0,0,0,1|2,0,0]=4 57 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cc(cn3)Cl 527a_200000238484_200020592144 [0,1,0,0,0,1|2,0,0]=4 58 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cc(cn3)I 240690a_100000721286_200020592144 [0,1,0,0,0,1|2,0,0]=4 59 B32R3.442392775 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCn3cc(cn3)I 527a_100000721286_200020592144 [0,1,0,0,0,1|2,0,0]=4 60 B32R3.442392834 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NC(C)Cc3cccs3 240690a_100000751415_200020592144 [0,1,0,0,0,1|1,0,0]=3 61 B32R3.442392834 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NC(C)Cc3cccs3 527a_100000751415_200020592144 [0,1,0,0,0,1|1,0,0]=3 62 B32R3.442392834 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NC(C)Cn3cccn3 240690a_100000738251_200020592144 [0,1,0,0,0,1|2,0,0]=4 63 B32R3.442392834 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NC(C)Cn3cccn3 527a_100000738251_200020592144 [0,1,0,0,0,1|2,0,0]=4 64 B32R3.446953829 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCC(O)c3ccco3 527a_100000738650_200020592144 [0,1,0,0,0,1|1,1,0]=4 65 B32R3.446953829 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NNC(=O)c3nccs3 22a_100000077877_200020592144 [0,1,0,0,0,1|1,0,1]=4 66 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)CCc3c[nH]cn3 1458a_200020592144_100020628418 [0,0,0,0,1,1|2,0,0]=4 67 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)CCc3cccs3 1458a_200020592144_100000748579 [0,0,0,0,1,1|1,0,0]=3 68 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)CCn3cccn3 1458a_200020592144_100000685285 [0,0,0,0,1,1|2,0,0]=4 69 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3c[nH]cn3 240690a_100000758547_200020592144 [0,0,0,0,1,1|2,0,0]=4 70 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3c[nH]cn3 527a_100000758547_200020592144 [0,0,0,0,1,1|2,0,0]=4 71 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cc[nH]n3 240690a_100000739516_200020592144 [0,0,0,0,1,1|2,0,0]=4 72 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cc[nH]n3 527a_100000739516_200020592144 [0,0,0,0,1,1|2,0,0]=4 73 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ccc[nH]3 240690a_100000764082_200020592144 [0,0,0,0,1,1|1,0,1]=4 74 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ccc[nH]3 527a_100000764082_200020592144 [0,0,0,0,1,1|1,0,1]=4 75 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ccco3 240690a_100000185738_200020592144 [0,0,0,0,1,1|1,1,0]=4 76 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ccco3 527a_100000185738_200020592144 [0,0,0,0,1,1|1,1,0]=4 77 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cccs3 240690a_100000211653_200020592144 [0,0,0,0,1,1|1,0,0]=3 78 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cccs3 527a_100000211653_200020592144 [0,0,0,0,1,1|1,0,0]=3 79 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ccon3 240690a_100000688301_200020592144 [0,0,0,0,1,1|2,0,0]=4 80 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ccon3 527a_100000688301_200020592144 [0,0,0,0,1,1|2,0,0]=4 81 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cncs3 240690a_100016987365_200020592144 [0,0,0,0,1,1|2,0,0]=4 82 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cncs3 527a_100016987365_200020592144 [0,0,0,0,1,1|2,0,0]=4 83 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cocn3 240690a_100015188801_200020592144 [0,0,0,0,1,1|2,0,0]=4 84 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cocn3 527a_100015188801_200020592144 [0,0,0,0,1,1|2,0,0]=4 85 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cscn3 240690a_100015185402_200020592144 [0,0,0,0,1,1|2,0,0]=4 86 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3cscn3 527a_100015185402_200020592144 [0,0,0,0,1,1|2,0,0]=4 87 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ncc[nH]3 240690a_100000754540_200020592144 [0,0,0,0,1,1|1,0,0]=3 88 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ncc[nH]3 527a_100000754540_200020592144 [0,0,0,0,1,1|1,0,0]=3 89 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ncco3 240690a_100016994969_200020592144 [0,0,0,0,1,1|0,1,0]=3 90 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3ncco3 527a_100016994969_200020592144 [0,0,0,0,1,1|0,1,0]=3 91 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3nccs3 240690a_100000740555_200020592144 [0,0,0,0,1,1|0,0,0]=2 92 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3nccs3 527a_100000740555_200020592144 [0,0,0,0,1,1|0,0,0]=2 93 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3nnc[nH]3 240690a_200015183720_200020592144 [0,0,0,0,1,1|2,0,0]=4 94 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCc3nnc[nH]3 527a_200015183720_200020592144 [0,0,0,0,1,1|2,0,0]=4 95 B30R3.1722096270 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NNc3nccs3 22a_100011198208_200020592144 [0,0,0,0,1,1|1,0,0]=3 96 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccccc3 240690a_100000106460_200020592144 [0,0,0,0,0,2|2,0,0]=4 97 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccccc3 527a_100000106460_200020592144 [0,0,0,0,0,2|2,0,0]=4 98 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccccn3 240690a_100000211156_200020592144 [0,0,0,0,0,2|1,0,0]=3 99 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccccn3 527a_100000211156_200020592144 [0,0,0,0,0,2|1,0,0]=3 100 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cccnc3 240690a_100000736294_200020592144 [0,0,0,0,0,2|1,0,0]=3 101 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cccnc3 527a_100000736294_200020592144 [0,0,0,0,0,2|1,0,0]=3 102 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccncc3 240690a_100000742849_200020592144 [0,0,0,0,0,2|2,0,0]=4 103 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3ccncc3 527a_100000742849_200020592144 [0,0,0,0,0,2|2,0,0]=4 104 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cnccn3 240690a_100000723456_200020592144 [0,0,0,0,0,2|1,0,0]=3 105 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCc3cnccn3 527a_100000723456_200020592144 [0,0,0,0,0,2|1,0,0]=3 106 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NNCc3ccccn3 22a_100000736832_200020592144 [0,0,0,0,0,2|2,0,0]=4 107 B32R3.65287023 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NNCc3cccnc3 22a_100000738295_200020592144 [0,0,0,0,0,2|2,0,0]=4 108 B32R3.442392802 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCCn3cccn3 240690a_100000737576_200020592144 [0,0,0,0,0,2|2,0,0]=4 109 B32R3.442392802 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCCn3cccn3 527a_100000737576_200020592144 [0,0,0,0,0,2|2,0,0]=4 110 B32R3.442392802 COc1ccc(cc1)CCN2C(=O)NC(C2=O)CCC(=O)NCCSc3ncn[nH]3 240690a_200015184488_200020592144 [0,0,0,0,0,2|2,0,0]=4