0 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.6 CC(C)CCN1C=NC2=C1C=CC=C2 Z56826120 [0,0,0,0,0,0|2,0,1]=3 3 B15R2.6 CN(C)CCC1=CNC2=C1N=CC=C2 Z5537309001 [0,0,0,0,0,0|1,0,0]=1 4 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.3 CCNCC1=CNC2=C1C=CC=C2 Z1787158574 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.3 COCCN1C=NC2=C1C=CC=C2 Z57187094 [1,0,0,0,0,0|2,0,1]=4 10 B14R2.3 NCCCC1=CNC2=C1C=CC=C2 Z275361382 [1,0,0,0,0,0|2,0,0]=3 11 B16R2.12 CN(C)C(=O)CC1=CNC2=C1C=CC=C2 Z32014417 [0,1,0,0,0,0|0,0,1]=2 12 B16R2.12 NC(CC1=CNC2=C1C=CC=C2)C(=O)O Z57248626 [0,1,0,0,0,0|3,0,0]=4 13 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z756440056 [0,1,0,0,0,0|3,0,0]=4 14 B16R2.12 N[C@H](CC1=CNC2=C1C=CC=C2)C(=O)O Z256709618 [0,1,0,0,0,0|3,0,0]=4 15 B16R2.14 CNC(=O)CCC1=CNC2=C1C=CC=C2 Z32016249 [0,1,0,0,0,0|2,0,0]=3 16 B16R2.14 COC(=O)CCC1=CNC2=C1C=CC=C2 Z13758675 [0,1,0,0,0,0|2,0,0]=3 17 B16R2.520 CC(C)OC(=O)C1=CNC2=C1C=CC=C2 Z210705246 [0,1,0,0,0,0|2,0,1]=4 18 B16R2.520 CC(CC(=O)O)C1=CNC2=C1C=CC=C2 Z275127490 [0,1,0,0,0,0|3,0,0]=4 19 B16R2.2947 CC(C)(C)NCC1=CNC2=C1C=CN=C2 Z3817321828 [0,1,0,0,0,0|3,0,0]=4 20 B16R2.2976 CC1=CC2=C(C=C1)C(=CN2)CCC(=O)O Z1272912333 [0,1,0,0,0,0|3,0,0]=4 21 B16R2.2976 CN(C)CCN1C=CC2=C1C=CC(=C2)N Z385461758 [0,1,0,0,0,0|2,0,0]=3 22 B16R2.2976 O=C(O)CCC1=CNC2=C1C=CC(=C2)Cl Z1509536927 [0,1,0,0,0,0|3,0,0]=4 23 B16R2.4003 CC(C)CCN1C(=NC2=C1C=CC=C2)N Z1350606404 [0,1,0,0,0,0|2,0,1]=4 24 B16R2.4003 CC(C)CCN1C(=NC2=C1C=CC=C2)S Z56895727 [0,1,0,0,0,0|2,0,1]=4 25 B16R2.4003 CC(C)CCN1C(=O)NC2=C1C=CC=C2 Z57114987 [0,1,0,0,0,0|2,0,0]=3 26 B16R2.4003 CC1=C(C2=C(N1)C=CC=C2)CCC(=O)O Z57157164 [0,1,0,0,0,0|3,0,0]=4 27 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [0,1,0,0,0,0|3,0,0]=4 28 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Br Z4439411857 [0,1,0,0,0,0|0,0,0]=1 29 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N Z4606621023 [0,1,0,0,0,0|0,0,0]=1 30 B16R2.15551 CN(C)CCN1C=CC2=C1C=C(C=C2)N Z414315248 [0,1,0,0,0,0|2,0,0]=3 31 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [0,1,0,0,0,0|3,0,0]=4 32 B16R2.22833 CC1=C2NC=C(C2=CC=C1)CCC(=O)O Z1251197519 [0,1,0,0,0,0|3,0,0]=4 33 B16R2.22904 CC1=C2C(=CNC2=CC=C1)CCC(=O)O Z1316679515 [0,1,0,0,0,0|3,0,0]=4 34 B16R2.22904 O=C(O)CCC1=CNC2=C1C(=CC=C2)Br Z1509573127 [0,1,0,0,0,0|3,0,0]=4 35 B16R2.104522 CN1C=C(C2=C1C=CC=C2)CCC(=O)O Z335290460 [0,1,0,0,0,0|3,0,0]=4 36 B14R1.96 CN(C)CCNC1=C(C=CC=C1)CN Z992722050 [0,0,1,0,0,0|3,0,0]=4 37 B14R1.96 CN(C)CCOC1=C(C=CC=C1)C#N Z51119315 [0,0,1,0,0,0|3,0,0]=4 38 B14R1.96 CN(C)CCOC1=C(C=CC=C1)CN Z239127234 [0,0,1,0,0,0|3,0,0]=4 39 B14R1.422 CN(C)CCCNCC1=CC=CC=C1 Z56983149 [0,0,1,0,0,0|2,0,1]=4 40 B14R1.422 CN(C)CCNCCC1=CC=CC=C1 Z90512805 [0,0,1,0,0,0|2,0,1]=4 41 B16R3.1814 C1=CC2=C(C=C1)C(=CS2)CNC3CC3 Z211320428 [0,0,0,1,0,0|3,0,0]=4 42 B14R2.2 CC(=O)CC1=CNC2=C1C=CC=C2 Z277541166 [0,0,0,0,1,0|2,0,0]=3 43 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 Z199464144 [0,0,0,0,1,0|3,0,0]=4 44 B14R2.2 CC(C)CN1C=NC2=C1C=CC=C2 Z53833308 [0,0,0,0,1,0|2,0,1]=4 45 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 Z56917380 [0,0,0,0,1,0|0,0,0]=1 46 B14R2.2 NC(=O)CC1=CNC2=C1C=CC=C2 Z33546521 [0,0,0,0,1,0|3,0,0]=4 47 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 Z56913182 [0,0,0,0,1,0|3,0,0]=4 48 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [0,0,0,0,0,1|2,0,0]=3 49 B16R2.36 CC(C)CNCC1=CSC2=C1C=CC=C2 Z211320908 [0,0,0,0,0,1|2,0,0]=3 50 B16R2.36 CN(C)CCSC1=NN=C2N1C=CC=C2 Z55941984 [0,0,0,0,0,1|2,0,1]=4 51 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [0,0,0,0,0,1|3,0,0]=4 52 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [0,0,0,0,0,1|3,0,0]=4 53 B16R2.179941 CC(=O)CCC1=C2C=CC=CC2=CN=C1 Z1233207880 [0,0,0,0,0,1|2,0,1]=4 54 B16R2.179941 CC(C)CNC1=C2C=CC=CC2=NC=N1 Z127089674 [0,0,0,0,0,1|2,0,1]=4 55 B13R1.158 CC(C)CCOC1=C(C=CC=C1)N Z239604734 [1,0,1,0,0,0|2,0,0]=4 56 B13R1.158 CN(C)CCNC1=C(C=CC=C1)N Z220343710 [1,0,1,0,0,0|1,0,0]=3 57 B13R1.158 CN(C)CCOC1=C(C=CC=C1)Br Z237479786 [1,0,1,0,0,0|2,0,0]=4 58 B13R1.158 CN(C)CCOC1=C(C=CC=C1)N Z239127504 [1,0,1,0,0,0|1,0,0]=3 59 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 Z56755624 [1,0,1,0,0,0|1,0,0]=3 60 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 Z56755627 [1,0,1,0,0,0|1,0,1]=4 61 B13R2.1 CCCN1C=NC2=C1C=CC=C2 Z53833307 [2,0,0,0,0,0|1,0,1]=4 62 B13R2.1 CNCC1=CSC2=C1C=CC=C2 Z415728090 [2,0,0,0,0,0|1,0,0]=3 63 B13R2.1 N#CCC1=CNC2=C1C=CC=C2 Z104477894 [2,0,0,0,0,0|0,0,2]=4 64 B13R2.1 NCCC1=CNC2=C1C=CC=C2 Z104478080 [2,0,0,0,0,0|0,0,0]=2 65 B13R2.1 NCCC1=CNC2=C1C=CC=N2 Z3013846178 [2,0,0,0,0,0|1,0,0]=3 66 B13R2.1 NCCC1=CNC2=C1C=CN=C2 Z2685925193 [2,0,0,0,0,0|1,0,0]=3 67 B13R2.1 NCCC1=CNC2=C1N=CC=C2 Z1741982367 [2,0,0,0,0,0|1,0,0]=3 68 B13R2.1 NCCC1=CSC2=C1C=CC=C2 Z432090862 [2,0,0,0,0,0|1,0,0]=3 69 B13R2.1 NCCC1=NOC2=C1C=CC=C2 Z2492774449 [2,0,0,0,0,0|2,0,0]=4 70 B13R2.1 NCCN1C=NC2=C1C=CC=C2 Z607822458 [2,0,0,0,0,0|1,0,1]=4 71 B13R2.1 OCCC1=CNC2=C1C=CC=C2 Z1123806416 [2,0,0,0,0,0|1,0,0]=3 72 B15R1.1081 CN(C)C/C=C/C(=O)NC1=CC=CC=C1 Z3301600276 [0,1,1,0,0,0|0,0,1]=3 73 B15R1.1081 CN(C)CCNC(=S)NC1=CC=CC=C1 Z45796231 [0,1,1,0,0,0|1,0,0]=3 74 B15R2.4 CNC(=O)CC1=CNC2=C1C=CC=N2 Z1400782245 [1,1,0,0,0,0|1,0,1]=4 75 B15R2.4 COC(=O)CC1=CNC2=C1C=CC=C2 Z18279395 [1,1,0,0,0,0|1,0,1]=4 76 B15R2.4 NC(CO)CC1=CNC2=C1C=CC=C2 Z1069312128 [1,1,0,0,0,0|2,0,0]=4 77 B15R2.4 NNC(=O)CC1=CNC2=C1C=CC=C2 Z56939166 [1,1,0,0,0,0|1,0,1]=4 78 B15R2.4 O=C(CC1=CNC2=C1C=CC=C2)NO Z59181979 [1,1,0,0,0,0|1,0,1]=4 79 B15R2.5 NCCCCC1=CNC2=C1C=CC=C2 Z3766503508 [1,1,0,0,0,0|1,0,0]=3 80 B15R2.73 CC(CCO)C1=CNC2=C1C=CC=C2 Z1262570410 [1,1,0,0,0,0|2,0,0]=4 81 B15R2.1435 CC1=C(C2=C(N1)C=CC=C2)CCC=O Z2750451565 [1,1,0,0,0,0|2,0,0]=4 82 B15R2.1435 CCCCN1C(=O)NC2=C1C=CC=C2 Z57369967 [1,1,0,0,0,0|2,0,0]=4 83 B15R2.1435 CNCCN1C(=O)OC2=C1C=CC=C2 Z1266933902 [1,1,0,0,0,0|2,0,0]=4 84 B15R2.377 CN(C)CC1=CNC2=C1C=CC(=C2)F Z1201618423 [0,1,0,0,1,0|0,0,0]=2 85 B15R2.1255 CC(C)C(=O)C1=CNC2=C1C=CC=C2 Z57504508 [0,1,0,0,1,0|1,0,1]=4 86 B15R2.1255 CN(C)C(=O)C1=CNC2=C1C=CC=C2 Z432057222 [0,1,0,0,1,0|0,0,1]=3 87 B15R2.1255 CN(C)C(=O)C1=CSC2=C1C=CC=C2 Z203082590 [0,1,0,0,1,0|1,0,1]=4 88 B15R2.1255 CN(C)C(=O)C1=NNC2=C1C=CC=C2 Z32014688 [0,1,0,0,1,0|1,0,1]=4 89 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)F Z1198156503 [0,1,0,0,1,0|2,0,0]=4 90 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O Z1255489555 [0,1,0,0,1,0|2,0,0]=4 91 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Br Z1269196757 [0,1,0,0,1,0|0,0,0]=2 92 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395465 [0,1,0,0,0,1|2,0,0]=4 93 B17R2.4 CN/C(=N/CCC1=CNC2=C1C=CC=C2)/N Z1127393610 [0,1,0,0,0,1|2,0,0]=4 94 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 Z45830904 [0,1,0,0,0,1|2,0,0]=4 95 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 Z1449765636 [0,1,0,0,0,1|2,0,0]=4 96 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 Z57396119 [0,1,0,0,0,1|2,0,0]=4 97 B17R2.16 CN(C)C(=O)CCC1=CNC2=C1C=CC=C2 Z32014241 [0,1,0,0,0,1|0,0,0]=2 98 B17R2.16 CN(C)C(=O)CCN1C=CC2=C1C=CC=C2 Z184828536 [0,1,0,0,0,1|2,0,0]=4 99 B17R2.877 CC(C)COC(=O)C1=CNC2=C1C=CC=C2 Z210706284 [0,1,0,0,0,1|1,0,1]=4 100 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F Z1220452176 [0,1,0,0,0,1|2,0,0]=4 101 B17R2.5006 CC(C)SCC1=CC2=C(C=CC=C2)NC1=O Z1176927826 [0,1,0,0,0,1|2,0,0]=4 102 B17R2.9167 CN(C)C(=O)CC1=CC2=C(C=CC=C2)C=C1 Z32013996 [0,1,0,0,0,1|1,0,1]=4 103 B17R2.520754 CN(C)C(=O)CC1=C2C=CC=CC2=CC=C1 Z32014278 [0,1,0,0,0,1|1,0,1]=4 104 B17R2.7 COC(=O)C(N)CC1=CNC2=C1C=CC=C2 Z56921839 [0,2,0,0,0,0|2,0,0]=4 105 B17R2.7 COC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2 Z1536943518 [0,2,0,0,0,0|2,0,0]=4 106 B17R2.7 CON(C)C(=O)CC1=CNC2=C1C=CC=C2 Z54740149 [0,2,0,0,0,0|0,0,1]=3 107 B17R2.3450 CN(C)C(=O)CC1=CNC2=C1C=CC(=C2)Br Z1437283383 [0,2,0,0,0,0|0,0,1]=3 108 B17R2.3450 CN(C)C(=O)CC1=COC2=C1C=CC(=C2)F Z1333244992 [0,2,0,0,0,0|1,0,1]=4 109 B17R2.6 CCNC(=O)CCC1=CNC2=C1C=CC=C2 Z32024281 [0,2,0,0,0,0|2,0,0]=4 110 B17R2.6 CONC(=O)CCC1=CNC2=C1C=CC=C2 Z245507102 [0,2,0,0,0,0|2,0,0]=4 111 B17R2.87547 COC(=O)CCC1=CN(C2=C1C=CC=C2)C Z1397148112 [0,2,0,0,0,0|2,0,0]=4 112 B17R2.376041 CNC(=O)CCC1=CNC2=C1C(=CC=C2)C Z1319159086 [0,2,0,0,0,0|2,0,0]=4 113 B17R2.853 CC(=O)CC(C)(C)C1=CNC2=C1C=CC=C2 Z1509143524 [0,2,0,0,0,0|2,0,0]=4 114 B17R2.39006 CN(C)CCC1=CNC2=C1C=C(C(=C2)Br)Br Z3664736236 [0,2,0,0,0,0|0,0,0]=2 115 B17R2.150937 CN(C)CCN1C(=O)OC2=C1C=C(C=C2)N Z424795726 [0,2,0,0,0,0|2,0,0]=4 116 B17R2.464799 CC1=C(C2=C(N1C)C=CC=C2)/C=N/N(C)C Z56790255 [0,2,0,0,0,0|1,0,1]=4 117 B17R2.464799 CN(C)CCN1C(=O)C(=O)C2=C1C=CC=C2 Z335098852 [0,2,0,0,0,0|2,0,0]=4 118 B15R2.1668 CN(C)CC1CNC2=C(O1)C=CC=C2 Z335289250 [0,0,1,1,0,0|1,0,1]=4 119 B15R2.308 CN1CCN(CC1)C2=C(C=CC=C2)N Z57625083 [0,0,1,1,0,0|1,0,1]=4 120 B15R2.1660 CN(C)CCC1=CC2=C(N1)C=CC=C2 Z1509174685 [0,0,1,1,0,0|2,0,0]=4 121 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CCNC3 Z203053856 [1,0,0,1,0,0|2,0,0]=4 122 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CNCC3 Z1526503389 [1,0,0,1,0,0|0,0,0]=2 123 B15R3.3 C1=CC2=C(C=C1)N3CCNCC3=C2 Z2188172213 [1,0,0,1,0,0|2,0,0]=4 124 B15R3.3 C1=CC2=C(N=C1)NC3=C2CCCC3 Z1198153889 [1,0,0,1,0,0|2,0,0]=4 125 B15R3.1738 C1=CC2=C(C=C1)C3(CCNC3)CN2 Z2143576554 [1,0,0,1,0,0|0,0,2]=4 126 B15R3.2009 O=C1CC2=C(C1)C3=C(N2)C=CC=C3 Z1255384489 [0,0,0,1,1,0|2,0,0]=4 127 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 Z1509155775 [0,0,0,1,0,1|2,0,0]=4 128 B17R3.1964 C1=CC2=C(C=C1)C(=NN2)CNCC3CC3 Z1070972968 [0,0,0,1,0,1|2,0,0]=4 129 B17R3.3334 CC1CN(C1)CC2=CNC3=C2C=CN=C3 Z3817383211 [0,0,0,1,0,1|2,0,0]=4 130 B13R1.90 CN(C)CCC1=C(C=CC=C1)CO Z1675167241 [0,0,1,0,1,0|2,0,0]=4 131 B13R1.337 CN(C)CCCNC1=CC=NC=C1 Z359301282 [0,0,1,0,1,0|1,0,1]=4 132 B13R1.713 CN(C)CC(CN)C1=CC=CC=C1 Z431512726 [0,0,1,0,1,0|0,0,2]=4 133 B13R2.72 CC(C)C1=CNC2=C1C=CC=C2 Z1262562313 [0,0,0,0,2,0|1,0,0]=3 134 B15R1.8019 CN(C)CCNC(=O)C1=C(C=CC=C1)O Z57986051 [0,0,1,0,0,1|2,0,0]=4 135 B15R2.18471 CNCCC1=C2C=CC=CC2=CC=C1 Z385447156 [1,0,0,0,0,1|1,0,0]=3 136 B17R2.291558 CC(C)CCNC1=C2C=CC=CC2=NC=N1 Z127063946 [0,0,0,0,0,2|1,0,1]=4