{"smiles": "c1ccccc1", "scaffold_id": 0}
{"smiles": "c1ccncc1", "scaffold_id": 1}
{"smiles": "C1CCNCC1", "scaffold_id": 2}
{"smiles": "c1cn[nH]c1", "scaffold_id": 3}
{"smiles": "C1CCNC1", "scaffold_id": 4}
{"smiles": "C1CC1", "scaffold_id": 5}
{"smiles": "C1CNCCN1", "scaffold_id": 6}
{"smiles": "C1CCCCC1", "scaffold_id": 7}
{"smiles": "c1ccsc1", "scaffold_id": 8}
{"smiles": "c1cncnc1", "scaffold_id": 9}
{"smiles": "c1cscn1", "scaffold_id": 10}
{"smiles": "C1COCCN1", "scaffold_id": 11}
{"smiles": "c1ccoc1", "scaffold_id": 12}
{"smiles": "C1CCCC1", "scaffold_id": 13}
{"smiles": "c1ccc2[nH]ccc2c1", "scaffold_id": 14}
{"smiles": "c1c[nH]cn1", "scaffold_id": 15}
{"smiles": "c1ccc(-c2ccccc2)cc1", "scaffold_id": 16}
{"smiles": "c1ccc2ccccc2c1", "scaffold_id": 17}
{"smiles": "c1nc[nH]n1", "scaffold_id": 18}
{"smiles": "C1CCOC1", "scaffold_id": 19}
{"smiles": "C1CCOCC1", "scaffold_id": 20}
{"smiles": "c1cc[nH]c1", "scaffold_id": 21}
{"smiles": "c1ccc2ncccc2c1", "scaffold_id": 22}
{"smiles": "c1ccc2[nH]cnc2c1", "scaffold_id": 23}
{"smiles": "C1CCC1", "scaffold_id": 24}
{"smiles": "c1ncon1", "scaffold_id": 25}
{"smiles": "c1ccc(COc2ccccc2)cc1", "scaffold_id": 26}
{"smiles": "c1cnoc1", "scaffold_id": 27}
{"smiles": "O=C(Nc1ccccc1)c1ccccc1", "scaffold_id": 28}
{"smiles": "c1ccc(N2CCNCC2)cc1", "scaffold_id": 29}
{"smiles": "O=C1CCCN1", "scaffold_id": 30}
{"smiles": "c1ccc2scnc2c1", "scaffold_id": 31}
{"smiles": "c1ccc(-n2cccn2)cc1", "scaffold_id": 32}
{"smiles": "c1ccc2c(c1)OCO2", "scaffold_id": 33}
{"smiles": "c1c[nH]nn1", "scaffold_id": 34}
{"smiles": "c1ccc(Oc2ccccc2)cc1", "scaffold_id": 35}
{"smiles": "C1CNC1", "scaffold_id": 36}
{"smiles": "c1cnccn1", "scaffold_id": 37}
{"smiles": "c1nn[nH]n1", "scaffold_id": 38}
{"smiles": "c1cocn1", "scaffold_id": 39}
{"smiles": "c1ccc2occc2c1", "scaffold_id": 40}
{"smiles": "C1=CCCC=C1", "scaffold_id": 41}
{"smiles": "O=c1cccc[nH]1", "scaffold_id": 42}
{"smiles": "c1ccc2c(c1)CCNC2", "scaffold_id": 43}
{"smiles": "c1nncs1", "scaffold_id": 44}
{"smiles": "c1ccc2[nH]ncc2c1", "scaffold_id": 45}
{"smiles": "c1ccc2c(c1)OCCO2", "scaffold_id": 46}
{"smiles": "c1nnco1", "scaffold_id": 47}
{"smiles": "O=S(=O)(Nc1ccccc1)c1ccccc1", "scaffold_id": 48}
{"smiles": "c1ccc(C2CC2)cc1", "scaffold_id": 49}
{"smiles": "c1ccc2c(c1)CCC2", "scaffold_id": 50}
{"smiles": "c1ccc2ncncc2c1", "scaffold_id": 51}
{"smiles": "c1ccc(Cc2ccccc2)cc1", "scaffold_id": 52}
{"smiles": "c1ccnnc1", "scaffold_id": 53}
{"smiles": "c1ccc2c(c1)CCN2", "scaffold_id": 54}
{"smiles": "C1CCCNCC1", "scaffold_id": 55}
{"smiles": "c1ccc2c(c1)CCCC2", "scaffold_id": 56}
{"smiles": "c1ccc(-c2cc[nH]n2)cc1", "scaffold_id": 57}
{"smiles": "c1ccc(-c2cscn2)cc1", "scaffold_id": 58}
{"smiles": "O=c1[nH]cnc2ccccc12", "scaffold_id": 59}
{"smiles": "c1ncncn1", "scaffold_id": 60}
{"smiles": "c1ccc(CN2CCNCC2)cc1", "scaffold_id": 61}
{"smiles": "c1ccn2ccnc2c1", "scaffold_id": 62}
{"smiles": "O=C(c1ccccc1)N1CCCCC1", "scaffold_id": 63}
{"smiles": "C1C2CC3CC1CC(C2)C3", "scaffold_id": 64}
{"smiles": "O=c1cc[nH]c(=O)[nH]1", "scaffold_id": 65}
{"smiles": "c1ccc(CN2CCCCC2)cc1", "scaffold_id": 66}
{"smiles": "C1=CCCCC1", "scaffold_id": 67}
{"smiles": "c1ccc(-c2ncon2)cc1", "scaffold_id": 68}
{"smiles": "c1ccc(CNc2ccccc2)cc1", "scaffold_id": 69}
{"smiles": "c1ccc2sccc2c1", "scaffold_id": 70}
{"smiles": "c1ccc(-c2ccccn2)cc1", "scaffold_id": 71}
{"smiles": "c1ncc2[nH]cnc2n1", "scaffold_id": 72}
{"smiles": "C1CNCCNC1", "scaffold_id": 73}
{"smiles": "c1ccc(-c2nc[nH]n2)cc1", "scaffold_id": 74}
{"smiles": "c1ccc(N2CCCCC2)cc1", "scaffold_id": 75}
{"smiles": "O=C1CCCN1c1ccccc1", "scaffold_id": 76}
{"smiles": "c1ccc2ocnc2c1", "scaffold_id": 77}
{"smiles": "O=C1CCNC1=O", "scaffold_id": 78}
{"smiles": "c1ccc2c(c1)CCCN2", "scaffold_id": 79}
{"smiles": "C1CCCCCC1", "scaffold_id": 80}
{"smiles": "O=C(c1ccccc1)N1CCNCC1", "scaffold_id": 81}
{"smiles": "c1ccc2c(c1)CCO2", "scaffold_id": 82}
{"smiles": "O=C1NC(=O)c2ccccc21", "scaffold_id": 83}
{"smiles": "c1ccc2c(c1)[nH]c1ccccc12", "scaffold_id": 84}
{"smiles": "O=S(=O)(c1ccccc1)N1CCCCC1", "scaffold_id": 85}
{"smiles": "O=c1cc[nH]cn1", "scaffold_id": 86}
{"smiles": "c1ccc(-n2cccc2)cc1", "scaffold_id": 87}
{"smiles": "O=S1(=O)CCCC1", "scaffold_id": 88}
{"smiles": "c1ccc(N2CCCC2)cc1", "scaffold_id": 89}
{"smiles": "c1ccc2cnccc2c1", "scaffold_id": 90}
{"smiles": "c1ccc(C2CCCCC2)cc1", "scaffold_id": 91}
{"smiles": "c1ccc(Cn2cccn2)cc1", "scaffold_id": 92}
{"smiles": "c1ccc2c(c1)Cc1ccccc1-2", "scaffold_id": 93}
{"smiles": "O=C(COc1ccccc1)Nc1ccccc1", "scaffold_id": 94}
{"smiles": "O=C(NCc1ccccc1)c1ccccc1", "scaffold_id": 95}
{"smiles": "c1ccc(-c2ccco2)cc1", "scaffold_id": 96}
{"smiles": "c1ccc2c(c1)CCCO2", "scaffold_id": 97}
{"smiles": "c1ccc(Nc2ccccc2)cc1", "scaffold_id": 98}
{"smiles": "c1ccc(C2CCNCC2)cc1", "scaffold_id": 99}
{"smiles": "c1ccc(Nc2ccncn2)cc1", "scaffold_id": 100}
{"smiles": "c1cnc2ccnn2c1", "scaffold_id": 101}
{"smiles": "c1ccc(-c2nccs2)cc1", "scaffold_id": 102}
{"smiles": "O=C1CC(c2ccccc2)NC1=O", "scaffold_id": 103}
{"smiles": "c1ccc(-c2cccnc2)cc1", "scaffold_id": 104}
{"smiles": "O=c1ccc2ccccc2o1", "scaffold_id": 105}
{"smiles": "O=c1cccn[nH]1", "scaffold_id": 106}
{"smiles": "c1ccc(N2CCNCC2)nc1", "scaffold_id": 107}
{"smiles": "c1cnc2[nH]ccc2c1", "scaffold_id": 108}
{"smiles": "c1ccc(-c2nnco2)cc1", "scaffold_id": 109}
{"smiles": "O=C1NCCO1", "scaffold_id": 110}
{"smiles": "C1CC2CCC1C2", "scaffold_id": 111}
{"smiles": "O=S(=O)(c1ccccc1)N1CCNCC1", "scaffold_id": 112}
{"smiles": "c1ccc(N2CCOCC2)cc1", "scaffold_id": 113}
{"smiles": "c1ccc(Nc2ncccn2)cc1", "scaffold_id": 114}
{"smiles": "c1ccc(-c2ccncn2)cc1", "scaffold_id": 115}
{"smiles": "O=C(c1ccccc1)N1CCCC1", "scaffold_id": 116}
{"smiles": "c1ccc(CN2CCCC2)cc1", "scaffold_id": 117}
{"smiles": "O=C1NCC(C(=O)c2ccccc2)C1=O", "scaffold_id": 118}
{"smiles": "c1ccc(-c2ncccn2)cc1", "scaffold_id": 119}
{"smiles": "C1CO1", "scaffold_id": 120}
{"smiles": "c1ccc(-n2cnnc2)cc1", "scaffold_id": 121}
{"smiles": "O=C1CNCCN1", "scaffold_id": 122}
{"smiles": "O=c1ccc2ccccc2[nH]1", "scaffold_id": 123}
{"smiles": "O=C(c1ccccc1)c1ccccc1", "scaffold_id": 124}
{"smiles": "C1CSCCN1", "scaffold_id": 125}
{"smiles": "c1ccc(CCc2ccccc2)cc1", "scaffold_id": 126}
{"smiles": "c1cnc2[nH]ncc2c1", "scaffold_id": 127}
{"smiles": "c1ccc(-c2c[nH]cn2)cc1", "scaffold_id": 128}
{"smiles": "O=C(Oc1ccccc1)c1ccccc1", "scaffold_id": 129}
{"smiles": "O=C1COc2ccccc2N1", "scaffold_id": 130}
{"smiles": "C1COCO1", "scaffold_id": 131}
{"smiles": "c1cc2c(s1)CCCC2", "scaffold_id": 132}
{"smiles": "C1=CCNCC1", "scaffold_id": 133}
{"smiles": "c1ccc2nccnc2c1", "scaffold_id": 134}
{"smiles": "c1ccc(-n2ccnc2)cc1", "scaffold_id": 135}
{"smiles": "O=c1[nH]cc[nH]1", "scaffold_id": 136}
{"smiles": "c1ccc(-n2cnnn2)cc1", "scaffold_id": 137}
{"smiles": "O=C1CCCCN1", "scaffold_id": 138}
{"smiles": "O=c1[nH]cc(O)[nH]1", "scaffold_id": 139}
{"smiles": "c1cnc2[nH]cnc2c1", "scaffold_id": 140}
{"smiles": "c1ccc(-c2ccncc2)cc1", "scaffold_id": 141}
{"smiles": "C1=NNCC1", "scaffold_id": 142}
{"smiles": "O=C1NC(c2ccccc2)C(C(=O)c2ccccc2)C1=O", "scaffold_id": 143}
{"smiles": "c1ccc(Oc2ccccn2)cc1", "scaffold_id": 144}
{"smiles": "O=C(CSc1nc[nH]n1)Nc1ccccc1", "scaffold_id": 145}
{"smiles": "c1ccc2[nH]nnc2c1", "scaffold_id": 146}
{"smiles": "O=c1cc[nH][nH]1", "scaffold_id": 147}
{"smiles": "c1ccc(-c2ncco2)cc1", "scaffold_id": 148}
{"smiles": "c1ccc2cc3ccccc3cc2c1", "scaffold_id": 149}
{"smiles": "O=c1[nH]cnc2sccc12", "scaffold_id": 150}
{"smiles": "c1ncc2ccsc2n1", "scaffold_id": 151}
{"smiles": "c1ccc(C2CCNC2)cc1", "scaffold_id": 152}
{"smiles": "C1COC1", "scaffold_id": 153}
{"smiles": "c1ccc2c(c1)oc1ccccc12", "scaffold_id": 154}
{"smiles": "c1ncc2cc[nH]c2n1", "scaffold_id": 155}
{"smiles": "C1=CCCC1", "scaffold_id": 156}
{"smiles": "C1CCSC1", "scaffold_id": 157}
{"smiles": "c1ccc(-c2cccs2)cc1", "scaffold_id": 158}
{"smiles": "c1ncc2c[nH]nc2n1", "scaffold_id": 159}
{"smiles": "O=c1cc[nH]c2ccccc12", "scaffold_id": 160}
{"smiles": "O=C1NCc2ccccc21", "scaffold_id": 161}
{"smiles": "c1ccc(-n2cncn2)cc1", "scaffold_id": 162}
{"smiles": "C1CC2CCC(C1)N2", "scaffold_id": 163}
{"smiles": "c1ccc(-c2ncno2)cc1", "scaffold_id": 164}
{"smiles": "O=C1NCCN1", "scaffold_id": 165}
{"smiles": "B1OCCO1", "scaffold_id": 166}
{"smiles": "c1ccc(-n2c3ccccc3c3ccccc32)cc1", "scaffold_id": 167}
{"smiles": "O=c1[nH]c2ccccc2[nH]1", "scaffold_id": 168}
{"smiles": "c1ccc(-n2ccnn2)cc1", "scaffold_id": 169}
{"smiles": "c1ccc(-c2nn[nH]n2)cc1", "scaffold_id": 170}
{"smiles": "c1ccc(C2CCCN2)cc1", "scaffold_id": 171}
{"smiles": "O=S(=O)(c1ccccc1)N1CCCC1", "scaffold_id": 172}
{"smiles": "c1ccc2c(c1)NCCO2", "scaffold_id": 173}
{"smiles": "O=S(=O)(c1ccccc1)N1CCOCC1", "scaffold_id": 174}
{"smiles": "O=c1ccoc2ccccc12", "scaffold_id": 175}
{"smiles": "c1ccc(Sc2ccccc2)cc1", "scaffold_id": 176}
{"smiles": "O=C1NC(=O)C(=Cc2ccccc2)S1", "scaffold_id": 177}
{"smiles": "c1ccc(-c2cn[nH]c2)cc1", "scaffold_id": 178}
{"smiles": "c1ncsn1", "scaffold_id": 179}
{"smiles": "O=C(Cc1ccccc1)Nc1ccccc1", "scaffold_id": 180}
{"smiles": "c1ccc(CNCc2ccccc2)cc1", "scaffold_id": 181}
{"smiles": "c1ccc(-c2ccon2)cc1", "scaffold_id": 182}
{"smiles": "C(=Cc1ccccc1)c1ccccc1", "scaffold_id": 183}
{"smiles": "c1cnc(N2CCNCC2)nc1", "scaffold_id": 184}
{"smiles": "c1ccc(C2CCC2)cc1", "scaffold_id": 185}
{"smiles": "O=C(C=Cc1ccccc1)Nc1ccccc1", "scaffold_id": 186}
{"smiles": "c1csnn1", "scaffold_id": 187}
{"smiles": "c1cc(N2CCNCC2)ncn1", "scaffold_id": 188}
{"smiles": "c1ccc(-c2ncncn2)cc1", "scaffold_id": 189}
{"smiles": "c1ccc(N2CCCCC2)nc1", "scaffold_id": 190}
{"smiles": "c1ccc(Cn2ccnc2)cc1", "scaffold_id": 191}
{"smiles": "O=C(NCCc1ccccc1)c1ccccc1", "scaffold_id": 192}
{"smiles": "O=C(Nc1ccccc1)Nc1ccccc1", "scaffold_id": 193}
{"smiles": "c1ccc(Cn2ccc3ccccc32)cc1", "scaffold_id": 194}
{"smiles": "C1CSCN1", "scaffold_id": 195}
{"smiles": "O=C(Nc1ccccc1)c1cccnc1", "scaffold_id": 196}
{"smiles": "c1ccc(CC2CCNCC2)cc1", "scaffold_id": 197}
{"smiles": "O=C1CC2SCC=CN12", "scaffold_id": 198}
{"smiles": "O=C1CCc2ccccc2N1", "scaffold_id": 199}
{"smiles": "O=C(Nc1ccccc1)C1CC1", "scaffold_id": 200}
{"smiles": "C1=NCCN1", "scaffold_id": 201}
{"smiles": "c1ccc(-c2cnco2)cc1", "scaffold_id": 202}
{"smiles": "O=C(NN=Cc1ccccc1)c1ccccc1", "scaffold_id": 203}
{"smiles": "O=c1[nH]c2ccccc2o1", "scaffold_id": 204}
{"smiles": "O=C(COC(=O)c1ccccc1)Nc1ccccc1", "scaffold_id": 205}
{"smiles": "O=c1nccc[nH]1", "scaffold_id": 206}
{"smiles": "c1ccc(Nc2nccs2)cc1", "scaffold_id": 207}
{"smiles": "S=c1[nH]cn[nH]1", "scaffold_id": 208}
{"smiles": "c1cn2ccsc2n1", "scaffold_id": 209}
{"smiles": "c1ccc(Nc2ccccn2)cc1", "scaffold_id": 210}
{"smiles": "c1cc2c(s1)CCNC2", "scaffold_id": 211}
{"smiles": "c1ccc(C2CCCC2)cc1", "scaffold_id": 212}
{"smiles": "C1CCSCC1", "scaffold_id": 213}
{"smiles": "c1ccc2c(c1)OCCCO2", "scaffold_id": 214}
{"smiles": "c1ccc(-c2ccsc2)cc1", "scaffold_id": 215}
{"smiles": "c1ccc(-c2ccno2)cc1", "scaffold_id": 216}
{"smiles": "c1ccc(CN2CCOCC2)cc1", "scaffold_id": 217}
{"smiles": "c1ncc2ncn(C3CCCO3)c2n1", "scaffold_id": 218}
{"smiles": "c1ccc(-c2ccc[nH]2)cc1", "scaffold_id": 219}
{"smiles": "O=C(CNc1ccccc1)Nc1ccccc1", "scaffold_id": 220}
{"smiles": "C1CCC2C(C1)CCC1C3CCCC3CCC21", "scaffold_id": 221}
{"smiles": "c1ccc(-c2ncc[nH]2)cc1", "scaffold_id": 222}
{"smiles": "O=c1[nH]c(=O)c2[nH]cnc2[nH]1", "scaffold_id": 223}
{"smiles": "c1ccn2cnnc2c1", "scaffold_id": 224}
{"smiles": "c1ccc(-c2nc3ccccc3[nH]2)cc1", "scaffold_id": 225}
{"smiles": "O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccccc1", "scaffold_id": 226}
{"smiles": "c1ccc(OC2CCNCC2)cc1", "scaffold_id": 227}
{"smiles": "O=C(CN1CCNCC1)Nc1ccccc1", "scaffold_id": 228}
{"smiles": "C1CC2CNCC2C1", "scaffold_id": 229}
{"smiles": "O=c1[nH]cn[nH]1", "scaffold_id": 230}
{"smiles": "O=c1[nH]ncc2ccccc12", "scaffold_id": 231}
{"smiles": "O=c1cc[nH]n1-c1ccccc1", "scaffold_id": 232}
{"smiles": "O=C1CCCO1", "scaffold_id": 233}
{"smiles": "C1COCOC1", "scaffold_id": 234}
{"smiles": "O=C1CCCCC1", "scaffold_id": 235}
{"smiles": "c1ccc2c(c1)CNC2", "scaffold_id": 236}
{"smiles": "c1ccc(-c2ccc3ccccc3n2)cc1", "scaffold_id": 237}
{"smiles": "O=C1CCN1", "scaffold_id": 238}
{"smiles": "c1cnc2ncnn2c1", "scaffold_id": 239}
{"smiles": "O=C(c1ccccc1)N1CCOCC1", "scaffold_id": 240}
{"smiles": "O=C1C=CC(=O)N1", "scaffold_id": 241}
{"smiles": "O=c1cc[nH]cc1", "scaffold_id": 242}
{"smiles": "c1ccc(Nc2ncncn2)cc1", "scaffold_id": 243}
{"smiles": "O=C1OCCN1c1ccccc1", "scaffold_id": 244}
{"smiles": "C1=CCC=C1", "scaffold_id": 245}
{"smiles": "O=C1NC(=S)SC1=Cc1ccccc1", "scaffold_id": 246}
{"smiles": "C1=NOCC1", "scaffold_id": 247}
{"smiles": "c1ccc(N2CCCC2)nc1", "scaffold_id": 248}
{"smiles": "O=C(Nc1ccccc1)C1CCNCC1", "scaffold_id": 249}
{"smiles": "c1ccc(-c2cccc(-c3ccccc3)c2)cc1", "scaffold_id": 250}
{"smiles": "c1cc2[nH]cnc2cn1", "scaffold_id": 251}
{"smiles": "c1cnsc1", "scaffold_id": 252}
{"smiles": "c1ccc(-c2ncnc(-c3ccccc3)n2)cc1", "scaffold_id": 253}
{"smiles": "c1ccc(-n2cccn2)nc1", "scaffold_id": 254}
{"smiles": "O=C(C=Cc1ccccc1)c1ccccc1", "scaffold_id": 255}
{"smiles": "c1ccc(-c2ccn(-c3ccccc3)n2)cc1", "scaffold_id": 256}
{"smiles": "c1cnncn1", "scaffold_id": 257}
{"smiles": "O=C(NC1CC1)c1ccccc1", "scaffold_id": 258}
{"smiles": "c1ccc(-c2cc3ccccc3[nH]2)cc1", "scaffold_id": 259}
{"smiles": "c1cc(N2CCCCC2)ncn1", "scaffold_id": 260}
{"smiles": "O=c1[nH]ccc2ccccc12", "scaffold_id": 261}
{"smiles": "O=C1CCCN1Cc1ccccc1", "scaffold_id": 262}
{"smiles": "C1CN2CCC1CC2", "scaffold_id": 263}
{"smiles": "C1=Cc2ccccc2C1", "scaffold_id": 264}
{"smiles": "c1ccc(-c2cnccn2)cc1", "scaffold_id": 265}
{"smiles": "C1=CN=CCC1", "scaffold_id": 266}
{"smiles": "c1ccc2c(c1)sc1ccccc12", "scaffold_id": 267}
{"smiles": "C1=NNC(c2ccccc2)C1", "scaffold_id": 268}
{"smiles": "c1ccc(-n2cnc3ccccc32)cc1", "scaffold_id": 269}
{"smiles": "O=S(=O)(NCc1ccccc1)c1ccccc1", "scaffold_id": 270}
{"smiles": "O=C(Nc1ccccc1)c1ccco1", "scaffold_id": 271}
{"smiles": "c1cc(C2CC2)[nH]n1", "scaffold_id": 272}
{"smiles": "O=c1[nH]c(O)c(-c2ccccc2)[nH]1", "scaffold_id": 273}
{"smiles": "O=C(Nc1ccccc1)N1CCCCC1", "scaffold_id": 274}
{"smiles": "O=C(COc1ccccc1)NCc1ccccc1", "scaffold_id": 275}
{"smiles": "C(=Nc1ccccc1)c1ccccc1", "scaffold_id": 276}
{"smiles": "c1ccc(C2=NNCC2)cc1", "scaffold_id": 277}
{"smiles": "c1ccc2oncc2c1", "scaffold_id": 278}
{"smiles": "O=c1c2ccccc2ncn1-c1ccccc1", "scaffold_id": 279}
{"smiles": "c1ccc(OC2CCCC2)cc1", "scaffold_id": 280}
{"smiles": "Oc1cc2ccccc2[nH]1", "scaffold_id": 281}
{"smiles": "c1cnn2ccnc2c1", "scaffold_id": 282}
{"smiles": "O=C(NC1CCNCC1)c1ccccc1", "scaffold_id": 283}
{"smiles": "c1cnn2cnnc2c1", "scaffold_id": 284}
{"smiles": "c1ccc(-c2nc3ccccc3o2)cc1", "scaffold_id": 285}
{"smiles": "O=C1CC(=Nc2ccccc2)C(=O)N1", "scaffold_id": 286}
{"smiles": "O=c1[nH]ccs1", "scaffold_id": 287}
{"smiles": "O=C(Cc1ccccc1)N1CCCCC1", "scaffold_id": 288}
{"smiles": "C1NCC2CC12", "scaffold_id": 289}
{"smiles": "O=C1CCCC(=O)N1", "scaffold_id": 290}
{"smiles": "c1ccc(CC2CCCCC2)cc1", "scaffold_id": 291}
{"smiles": "c1ccc(C2CNCCO2)cc1", "scaffold_id": 292}
{"smiles": "c1cnc(N2CCCCC2)nc1", "scaffold_id": 293}
{"smiles": "O=C(CNc1ccccc1)NCc1ccccc1", "scaffold_id": 294}
{"smiles": "c1ccc(CSc2nc[nH]n2)cc1", "scaffold_id": 295}
{"smiles": "O=C1CCN(c2ccccc2)C1=O", "scaffold_id": 296}
{"smiles": "c1ccc(OCc2nc[nH]n2)cc1", "scaffold_id": 297}
{"smiles": "O=C(NC1CCCCC1)c1ccccc1", "scaffold_id": 298}
{"smiles": "O=C(Nc1ccccc1)C1CCCNC1", "scaffold_id": 299}
{"smiles": "c1ccc(-c2ccc3ccccc3c2)cc1", "scaffold_id": 300}
{"smiles": "C1=CCNC=C1", "scaffold_id": 301}
{"smiles": "c1ccc(C2CNCCN2)cc1", "scaffold_id": 302}
{"smiles": "c1[nH]nc2c1CCCC2", "scaffold_id": 303}
{"smiles": "c1ccc(-c2cn3ccccc3n2)cc1", "scaffold_id": 304}
{"smiles": "c1ccc(Oc2ccncn2)cc1", "scaffold_id": 305}
{"smiles": "O=C(Nc1ccccc1)c1cccs1", "scaffold_id": 306}
{"smiles": "C1CNNC1", "scaffold_id": 307}
{"smiles": "c1ccc(CNc2ccncn2)cc1", "scaffold_id": 308}
{"smiles": "O=c1cncc[nH]1", "scaffold_id": 309}
{"smiles": "c1ccc(NC2CCNCC2)cc1", "scaffold_id": 310}
{"smiles": "O=c1ccn(C2CCCO2)c(=O)[nH]1", "scaffold_id": 311}
{"smiles": "C1CCCCCCC1", "scaffold_id": 312}
{"smiles": "C1NCC2CNCC12", "scaffold_id": 313}
{"smiles": "c1cnon1", "scaffold_id": 314}
{"smiles": "c1ccc(C2CCOCC2)cc1", "scaffold_id": 315}
{"smiles": "O=C(Nc1nccs1)c1ccccc1", "scaffold_id": 316}
{"smiles": "O=c1[nH]cnc2[nH]cnc12", "scaffold_id": 317}
{"smiles": "C1CCC(C2CCCCC2)CC1", "scaffold_id": 318}
{"smiles": "C1CCN(C2CCNCC2)CC1", "scaffold_id": 319}
{"smiles": "O=C(COc1ccccc1)N1CCNCC1", "scaffold_id": 320}
{"smiles": "O=c1c(=Cc2ccccc2)sc2n1CC=CN=2", "scaffold_id": 321}
{"smiles": "O=C(Nc1nc2ccccc2s1)c1ccccc1", "scaffold_id": 322}
{"smiles": "O=c1ccnc2ccccn12", "scaffold_id": 323}
{"smiles": "c1ccc(-c2cncnc2)cc1", "scaffold_id": 324}
{"smiles": "c1ccc(NC2CCCCC2)cc1", "scaffold_id": 325}
{"smiles": "c1ccc(Nc2ncnc3ccccc23)cc1", "scaffold_id": 326}
{"smiles": "c1ccc(-c2ccc(-c3ccccc3)cc2)cc1", "scaffold_id": 327}
{"smiles": "c1ccc(N(c2ccccc2)c2ccccc2)cc1", "scaffold_id": 328}
{"smiles": "C1CC2CC2C1", "scaffold_id": 329}
{"smiles": "O=C(Nc1ccccc1)c1ccccn1", "scaffold_id": 330}
{"smiles": "c1ccn2ncnc2c1", "scaffold_id": 331}
{"smiles": "c1ccc(N2CCOCC2)nc1", "scaffold_id": 332}
{"smiles": "c1ccc(Cn2cnc3ccccc32)cc1", "scaffold_id": 333}
{"smiles": "O=C1CCCCCN1", "scaffold_id": 334}
{"smiles": "c1ccc(-c2c[nH]nn2)cc1", "scaffold_id": 335}
{"smiles": "O=C(Nc1ccccc1)c1cc[nH]n1", "scaffold_id": 336}
{"smiles": "c1ccc(C2CCCCN2)cc1", "scaffold_id": 337}
{"smiles": "C1CNCCOC1", "scaffold_id": 338}
{"smiles": "O=C(Nc1ccccc1)N1CCNCC1", "scaffold_id": 339}
{"smiles": "c1ccn2nccc2c1", "scaffold_id": 340}
{"smiles": "c1ccc(B2OCCO2)cc1", "scaffold_id": 341}
{"smiles": "S=C1NCCN1", "scaffold_id": 342}
{"smiles": "c1ccc(Cn2cccc2)cc1", "scaffold_id": 343}
{"smiles": "c1cn2ccnc2cn1", "scaffold_id": 344}
{"smiles": "C1=NCCO1", "scaffold_id": 345}
{"smiles": "C(#Cc1ccccc1)c1ccccc1", "scaffold_id": 346}
{"smiles": "c1cc(N2CCCC2)ncn1", "scaffold_id": 347}
{"smiles": "O=C1NC(=O)C(=Cc2ccccc2)C(=O)N1", "scaffold_id": 348}
{"smiles": "S=C1NCC(c2ccccn2)N1", "scaffold_id": 349}
{"smiles": "O=c1c(=Cc2ccccc2)sc2n1C(c1ccccc1)C=CN=2", "scaffold_id": 350}
{"smiles": "C1=Cc2ccccc2OC1", "scaffold_id": 351}
{"smiles": "c1ccc(-c2nncn2-c2ccccc2)cc1", "scaffold_id": 352}
{"smiles": "O=c1[nH]c(=O)c2ccccc2[nH]1", "scaffold_id": 353}
{"smiles": "c1ccc(-c2nncs2)cc1", "scaffold_id": 354}
{"smiles": "c1cnnc(N2CCNCC2)c1", "scaffold_id": 355}
{"smiles": "c1ccn2cncc2c1", "scaffold_id": 356}
{"smiles": "c1ccc(-c2cncs2)cc1", "scaffold_id": 357}
{"smiles": "O=C(CSc1ccccc1)Nc1ccccc1", "scaffold_id": 358}
{"smiles": "O=C1CC(=Nc2ccccc2)C(=O)N1c1ccccc1", "scaffold_id": 359}
{"smiles": "O=S(=O)(c1ccccc1)c1ccccc1", "scaffold_id": 360}
{"smiles": "c1ccc(N=Nc2ccccc2)cc1", "scaffold_id": 361}
{"smiles": "c1ccc(CC2CC2)cc1", "scaffold_id": 362}
{"smiles": "C1=CC2CCC1C2", "scaffold_id": 363}
{"smiles": "O=c1[nH]cnc2sc3c(c12)CCCC3", "scaffold_id": 364}
{"smiles": "c1[nH]nc2c1CNCC2", "scaffold_id": 365}
{"smiles": "c1ccc(CNC2CC2)cc1", "scaffold_id": 366}
{"smiles": "O=C(NCc1ccccc1)C1CCNCC1", "scaffold_id": 367}
{"smiles": "O=S(=O)(Oc1ccccc1)c1ccccc1", "scaffold_id": 368}
{"smiles": "C1=COCCC1", "scaffold_id": 369}
{"smiles": "c1ccc(-c2cc[nH]c2)cc1", "scaffold_id": 370}
{"smiles": "O=S1(=O)CCNCC1", "scaffold_id": 371}
{"smiles": "C1COCN1", "scaffold_id": 372}
{"smiles": "c1ncc2c(n1)CCNC2", "scaffold_id": 373}
{"smiles": "c1ccc(C2CCCCO2)cc1", "scaffold_id": 374}
{"smiles": "C1CCC2CCCCC2C1", "scaffold_id": 375}
{"smiles": "O=C1C=CCCC1", "scaffold_id": 376}
{"smiles": "c1ccc(-c2cccnn2)cc1", "scaffold_id": 377}
{"smiles": "c1ccc(CNc2ccccn2)cc1", "scaffold_id": 378}
{"smiles": "c1ncc2sccc2n1", "scaffold_id": 379}
{"smiles": "c1cnc2sccc2c1", "scaffold_id": 380}
{"smiles": "O=C1C(=O)N(c2ccccc2)CC1C(=O)c1ccccc1", "scaffold_id": 381}
{"smiles": "c1ccc(C(c2ccccc2)c2ccccc2)cc1", "scaffold_id": 382}
{"smiles": "c1ccc(CSc2ccccc2)cc1", "scaffold_id": 383}
{"smiles": "c1ccc(-c2ncc3ccccc3n2)cc1", "scaffold_id": 384}
{"smiles": "O=C(COc1ccccc1)NN=Cc1ccccc1", "scaffold_id": 385}
{"smiles": "c1ccc(OCC2CC2)cc1", "scaffold_id": 386}
{"smiles": "O=C1NC=CCN1", "scaffold_id": 387}
{"smiles": "c1ccc(CCOc2ccccc2)cc1", "scaffold_id": 388}
{"smiles": "O=C(CCc1ccccc1)Nc1ccccc1", "scaffold_id": 389}
{"smiles": "c1cc(N2CCOCC2)ncn1", "scaffold_id": 390}
{"smiles": "c1cc2cc[nH]c2cn1", "scaffold_id": 391}
{"smiles": "O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1", "scaffold_id": 392}
{"smiles": "O=C(COc1ccccc1)N1CCCCC1", "scaffold_id": 393}
{"smiles": "c1ccc(OCCOc2ccccc2)cc1", "scaffold_id": 394}
{"smiles": "c1ccc(Oc2cccnc2)cc1", "scaffold_id": 395}
{"smiles": "c1ccc(Nc2cccnc2)cc1", "scaffold_id": 396}
{"smiles": "c1ccc2cnncc2c1", "scaffold_id": 397}
{"smiles": "c1ccc(-c2c3ccccc3cc3ccccc23)cc1", "scaffold_id": 398}
{"smiles": "c1ccc2c3c([nH]c2c1)CNCC3", "scaffold_id": 399}
{"smiles": "C1CN1", "scaffold_id": 400}
{"smiles": "c1ccc(CCN2CCCCC2)cc1", "scaffold_id": 401}
{"smiles": "O=C(c1ccccc1)N1CCCNCC1", "scaffold_id": 402}
{"smiles": "c1ccc(CCCc2ccccc2)cc1", "scaffold_id": 403}
{"smiles": "O=C(CN1CCCCC1)Nc1ccccc1", "scaffold_id": 404}
{"smiles": "O=C1C=CCO1", "scaffold_id": 405}
{"smiles": "O=C(Nc1ccccc1)c1ccncn1", "scaffold_id": 406}
{"smiles": "O=c1cnc2ccccc2[nH]1", "scaffold_id": 407}
{"smiles": "O=C(NCc1ccccc1)Nc1ccccc1", "scaffold_id": 408}
{"smiles": "c1ccc(C2OCCCO2)cc1", "scaffold_id": 409}
{"smiles": "c1cc2ccc3cccc4ccc(c1)c2c34", "scaffold_id": 410}
{"smiles": "C1CCC2NCCC2C1", "scaffold_id": 411}
{"smiles": "c1ccc(Cn2ccnn2)cc1", "scaffold_id": 412}
{"smiles": "c1ccc(C2=NOCC2)cc1", "scaffold_id": 413}
{"smiles": "C1=C(c2ccccc2)CCNC1", "scaffold_id": 414}
{"smiles": "O=S1(=O)CCCCC1", "scaffold_id": 415}
{"smiles": "O=C1CC(c2ccccc2)N(c2ccccc2)C1=O", "scaffold_id": 416}
{"smiles": "O=C1N=CCCN1", "scaffold_id": 417}
{"smiles": "O=C(Nc1ccccn1)c1ccccc1", "scaffold_id": 418}
{"smiles": "O=C(Nc1cccnc1)c1ccccc1", "scaffold_id": 419}
{"smiles": "c1csc(-c2cc[nH]n2)c1", "scaffold_id": 420}
{"smiles": "C(=Cc1ccccc1)CN1CCNCC1", "scaffold_id": 421}
{"smiles": "O=C1NCCc2ccccc21", "scaffold_id": 422}
{"smiles": "O=C1CCCC1", "scaffold_id": 423}
{"smiles": "O=C(Cc1ccccc1)NCc1ccccc1", "scaffold_id": 424}
{"smiles": "c1ccc(Nc2ccnc3ccccc23)cc1", "scaffold_id": 425}
{"smiles": "c1ccc(C2CCCNC2)cc1", "scaffold_id": 426}
{"smiles": "c1ccc(-c2cc(-c3ccccc3)ncn2)cc1", "scaffold_id": 427}
{"smiles": "c1ccc(OC2CCCCO2)cc1", "scaffold_id": 428}
{"smiles": "O=C(Nc1ccccc1)C1CCCN1", "scaffold_id": 429}
{"smiles": "O=C1CNC(=O)CN1", "scaffold_id": 430}
{"smiles": "c1ccc(OC2CCCCC2)cc1", "scaffold_id": 431}
{"smiles": "c1ccn2cccc2c1", "scaffold_id": 432}
{"smiles": "O=S(=O)(NC1CC1)c1ccccc1", "scaffold_id": 433}
{"smiles": "c1nc2c(s1)CCCC2", "scaffold_id": 434}
{"smiles": "O=C1COCCN1", "scaffold_id": 435}
{"smiles": "O=C(c1ccco1)N1CCNCC1", "scaffold_id": 436}
{"smiles": "O=c1[nH]cnc2scc(-c3ccccc3)c12", "scaffold_id": 437}
{"smiles": "c1cnc2c(c1)CCCC2", "scaffold_id": 438}
{"smiles": "O=C1OCc2ccccc21", "scaffold_id": 439}
{"smiles": "c1ccc(C2=NNC(c3ccccc3)C2)cc1", "scaffold_id": 440}
{"smiles": "O=C(Nc1cc[nH]n1)c1ccccc1", "scaffold_id": 441}
{"smiles": "O=C(Cc1ccccc1)N1CCNCC1", "scaffold_id": 442}
{"smiles": "C1=CNCN1", "scaffold_id": 443}
{"smiles": "c1ccc(CNC2CCCCC2)cc1", "scaffold_id": 444}
{"smiles": "O=C1NC=CC(c2ccccc2)N1", "scaffold_id": 445}
{"smiles": "c1ccc(Cc2cccs2)cc1", "scaffold_id": 446}
{"smiles": "O=C1CC(C(=O)Nc2ccccc2)CN1", "scaffold_id": 447}
{"smiles": "c1ccc(-c2ccnc(-c3ccccc3)n2)cc1", "scaffold_id": 448}
{"smiles": "O=C1CCNCC1", "scaffold_id": 449}
{"smiles": "O=C(Cc1ccccc1)N1CCCC1", "scaffold_id": 450}
{"smiles": "c1ccc(Cc2cc[nH]n2)cc1", "scaffold_id": 451}
{"smiles": "O=C(CNCc1ccccc1)Nc1ccccc1", "scaffold_id": 452}
{"smiles": "O=C(Nc1ccccc1)C1CCCCC1", "scaffold_id": 453}
{"smiles": "c1ccc2c(c1)ccc1ccccc12", "scaffold_id": 454}
{"smiles": "c1ccc(CCN2CCNCC2)cc1", "scaffold_id": 455}
{"smiles": "O=C1N=C(Nc2ccccc2)SC1=Cc1ccccc1", "scaffold_id": 456}
{"smiles": "c1ccc(OCc2ccco2)cc1", "scaffold_id": 457}
{"smiles": "O=c1cc[nH]c(=S)[nH]1", "scaffold_id": 458}
{"smiles": "O=C(NCc1ccccc1)C1CCCNC1", "scaffold_id": 459}
{"smiles": "c1cc2c(s1)CNCC2", "scaffold_id": 460}
{"smiles": "c1ccc(-c2cccc3ccccc23)cc1", "scaffold_id": 461}
{"smiles": "c1ccc2nc3ccccc3cc2c1", "scaffold_id": 462}
{"smiles": "O=c1ccc(-c2ccccc2)n[nH]1", "scaffold_id": 463}
{"smiles": "O=C(NC(=S)Nc1ccccc1)c1ccccc1", "scaffold_id": 464}
{"smiles": "O=C(Nc1ccccc1)c1cn[nH]c1", "scaffold_id": 465}
{"smiles": "O=S(=O)(Nc1ccccc1)c1cccs1", "scaffold_id": 466}
{"smiles": "C1CC2CC1CN2", "scaffold_id": 467}
{"smiles": "c1ccc2c(c1)CCOC2", "scaffold_id": 468}
{"smiles": "C1=CC=CCC=C1", "scaffold_id": 469}
{"smiles": "O=C1c2ccccc2C(=O)c2ccccc21", "scaffold_id": 470}
{"smiles": "O=C1NCC23CCC(CC12)O3", "scaffold_id": 471}
{"smiles": "c1cn2c(n1)CCCC2", "scaffold_id": 472}
{"smiles": "c1ccc(Oc2ccncc2)cc1", "scaffold_id": 473}
{"smiles": "c1n[nH]c(C2CC2)n1", "scaffold_id": 474}
{"smiles": "c1ccc2c(c1)Nc1ccccc1S2", "scaffold_id": 475}
{"smiles": "c1ccc2c(c1)CCS2", "scaffold_id": 476}
{"smiles": "O=C1CSCN1", "scaffold_id": 477}
{"smiles": "c1ccc(-c2nc3ccccc3s2)cc1", "scaffold_id": 478}
{"smiles": "O=c1[nH]cnc2ccsc12", "scaffold_id": 479}
{"smiles": "O=C1CNCN1", "scaffold_id": 480}
{"smiles": "C1CCC2CNCCC2C1", "scaffold_id": 481}
{"smiles": "c1ccc2c(c1)CCNCC2", "scaffold_id": 482}
{"smiles": "O=c1c2ccccc2ncn1N=Cc1ccccc1", "scaffold_id": 483}
{"smiles": "O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N(CCc1ccccc1)Cc1ccccc1", "scaffold_id": 484}
{"smiles": "C1CC(N2CCNCC2)CCN1", "scaffold_id": 485}
{"smiles": "c1ccc(-c2ccccn2)nc1", "scaffold_id": 486}
{"smiles": "O=C(Nc1ccccc1)C1CCCC1", "scaffold_id": 487}
{"smiles": "O=C1NCCN1c1ccccc1", "scaffold_id": 488}
{"smiles": "c1ccc(-c2ccnn2-c2ccccc2)cc1", "scaffold_id": 489}
{"smiles": "c1csc(C2CCNCC2)n1", "scaffold_id": 490}
{"smiles": "O=C1NC(=O)C2(CCCCC2)N1", "scaffold_id": 491}
{"smiles": "O=C1Nc2ccccc2C1=O", "scaffold_id": 492}
{"smiles": "C1=CC(c2ccccc2)CC=N1", "scaffold_id": 493}
{"smiles": "C1CCC2NCCCC2C1", "scaffold_id": 494}
{"smiles": "c1cnc2cccnc2c1", "scaffold_id": 495}
{"smiles": "S=c1[nH]nc(-c2ccccc2)[nH]1", "scaffold_id": 496}
{"smiles": "c1cc2c(s1)CCC2", "scaffold_id": 497}
{"smiles": "O=C1N=CCC(c2ccccc2)N1", "scaffold_id": 498}
{"smiles": "O=C(NCc1nc[nH]n1)c1ccccc1", "scaffold_id": 499}
{"smiles": "C1CC2(CCN1)CCNC2", "scaffold_id": 500}
{"smiles": "c1ccc(P(c2ccccc2)c2ccccc2)cc1", "scaffold_id": 501}
{"smiles": "c1ncc2c3c(sc2n1)CCCC3", "scaffold_id": 502}
{"smiles": "c1ccc(Nc2ccnc(Nc3ccccc3)n2)cc1", "scaffold_id": 503}
{"smiles": "c1nc2n(n1)CCCC2", "scaffold_id": 504}
{"smiles": "C1=Cc2ccccc2NC1", "scaffold_id": 505}
{"smiles": "c1ccc(Cc2ccccn2)cc1", "scaffold_id": 506}
{"smiles": "c1ccc(Oc2ccnc3ccccc23)cc1", "scaffold_id": 507}
{"smiles": "O=C1OC=NC1=Cc1ccccc1", "scaffold_id": 508}
{"smiles": "O=C(NCc1cccs1)c1ccccc1", "scaffold_id": 509}
{"smiles": "O=c1[nH]ccn1-c1ccccc1", "scaffold_id": 510}
{"smiles": "C(=NNc1nccs1)c1ccccc1", "scaffold_id": 511}
{"smiles": "c1[nH]cc2c1CCCC2", "scaffold_id": 512}
{"smiles": "c1ccc(C2CCOCO2)cc1", "scaffold_id": 513}
{"smiles": "C1=C(c2ccccc2)CCCC1", "scaffold_id": 514}
{"smiles": "C1=NC(c2ccccc2)CN1", "scaffold_id": 515}
{"smiles": "c1ccc(Nc2ccncc2)cc1", "scaffold_id": 516}
{"smiles": "c1ccc(CC2CCCNC2)cc1", "scaffold_id": 517}
{"smiles": "c1ccc(Cc2nc[nH]n2)cc1", "scaffold_id": 518}
{"smiles": "c1ccc2c(c1)CNCCO2", "scaffold_id": 519}
{"smiles": "C1CC2(CCN1)CC2", "scaffold_id": 520}
{"smiles": "O=C(OCc1ccccc1)c1ccccc1", "scaffold_id": 521}
{"smiles": "c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "scaffold_id": 522}
{"smiles": "O=C(Cc1ccccc1)c1ccccc1", "scaffold_id": 523}
{"smiles": "C1=Nc2ncnn2CC1", "scaffold_id": 524}
{"smiles": "C1CC2CCC1O2", "scaffold_id": 525}
{"smiles": "O=C1CSc2ccccc2N1", "scaffold_id": 526}
{"smiles": "O=C(c1cccnc1)N1CCCCC1", "scaffold_id": 527}
{"smiles": "c1ncc2c(n1)CCCC2", "scaffold_id": 528}
{"smiles": "O=c1ncccn1C1CCCO1", "scaffold_id": 529}
{"smiles": "c1ccc(CNc2ncccn2)cc1", "scaffold_id": 530}
{"smiles": "Oc1ccc(O)[nH]1", "scaffold_id": 531}
{"smiles": "C1COCCO1", "scaffold_id": 532}
{"smiles": "c1ccc(Cc2cccnc2)cc1", "scaffold_id": 533}
{"smiles": "O=c1[nH]cnc2[nH]ncc12", "scaffold_id": 534}
{"smiles": "c1nnc2n1CCNC2", "scaffold_id": 535}
{"smiles": "O=C1C=CC2C(=O)C3C(=O)c4ccccc4CC3CC2C1", "scaffold_id": 536}
{"smiles": "C1CCC(N2CCNCC2)CC1", "scaffold_id": 537}
{"smiles": "O=C1NCc2c1oc1ccccc1c2=O", "scaffold_id": 538}
{"smiles": "c1ccc(OCc2cscn2)cc1", "scaffold_id": 539}
{"smiles": "c1ccc(-c2c[nH]c3ccccc23)cc1", "scaffold_id": 540}
{"smiles": "O=C(Nc1ccccc1)C(Cc1ccccc1)=NC(=O)c1ccccc1", "scaffold_id": 541}
{"smiles": "O=C1CCOc2ccccc21", "scaffold_id": 542}
{"smiles": "c1ccc(-c2ccccc2-c2ccccc2)cc1", "scaffold_id": 543}
{"smiles": "O=C(CNC(=O)c1ccccc1)Nc1ccccc1", "scaffold_id": 544}
{"smiles": "C(=NNc1ccccc1)c1ccccc1", "scaffold_id": 545}
{"smiles": "c1ccc(CCNc2ccccc2)cc1", "scaffold_id": 546}
{"smiles": "c1cn(C2CCNCC2)nn1", "scaffold_id": 547}
{"smiles": "c1ccc(C2CCOC(c3ccccc3)O2)cc1", "scaffold_id": 548}
{"smiles": "S=c1[nH]cc[nH]1", "scaffold_id": 549}
{"smiles": "O=C1C=C2CCC3C4CCCC4CCC3C2CC1", "scaffold_id": 550}
{"smiles": "c1csc(N2CCNCC2)n1", "scaffold_id": 551}
{"smiles": "c1ccc(COc2cccnc2)cc1", "scaffold_id": 552}
{"smiles": "c1ccc(CC2CCCN2)cc1", "scaffold_id": 553}
{"smiles": "O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1", "scaffold_id": 554}
{"smiles": "c1ccc(OCc2ccccn2)cc1", "scaffold_id": 555}
{"smiles": "O=C(C1CC1)N1CCCCC1", "scaffold_id": 556}
{"smiles": "O=S(=O)(c1cccs1)N1CCCCC1", "scaffold_id": 557}
{"smiles": "c1nc2c(s1)CNCC2", "scaffold_id": 558}
{"smiles": "O=C1NC(c2ccccc2)c2c1oc1ccccc1c2=O", "scaffold_id": 559}
{"smiles": "O=c1cc(-c2ccccc2)oc2ccccc12", "scaffold_id": 560}
{"smiles": "C1=CC2c3ccccc3NCC2C1", "scaffold_id": 561}
{"smiles": "O=c1ccn(C2CC2)c2ccccc12", "scaffold_id": 562}
{"smiles": "c1ccc(C2CC2)nc1", "scaffold_id": 563}
{"smiles": "c1ccc(Cn2cncn2)cc1", "scaffold_id": 564}
{"smiles": "O=C(Nc1nncs1)c1ccccc1", "scaffold_id": 565}
{"smiles": "c1ccc(Cc2ncc[nH]2)cc1", "scaffold_id": 566}
{"smiles": "c1ccc(-c2ccn3nccc3n2)cc1", "scaffold_id": 567}
{"smiles": "O=C1CCC=NN1", "scaffold_id": 568}
{"smiles": "C1CNOC1", "scaffold_id": 569}
{"smiles": "O=S(=O)(NC1CCCCC1)c1ccccc1", "scaffold_id": 570}
{"smiles": "O=C(NC1CCCC1)c1ccccc1", "scaffold_id": 571}
{"smiles": "O=C1C=C(c2ccccc2)C(=O)N1", "scaffold_id": 572}
{"smiles": "c1cc2cncnn2c1", "scaffold_id": 573}
{"smiles": "C1CC2CCC1CC2", "scaffold_id": 574}
{"smiles": "O=C(NCc1ccccc1)C1CCCN1", "scaffold_id": 575}
{"smiles": "c1ccc(Cc2cncs2)cc1", "scaffold_id": 576}
{"smiles": "O=S(=O)(Nc1ncccn1)c1ccccc1", "scaffold_id": 577}
{"smiles": "C1=CN=CNC1", "scaffold_id": 578}
{"smiles": "c1cnc(N2CCCC2)nc1", "scaffold_id": 579}
{"smiles": "S=c1[nH]c2ccccc2[nH]1", "scaffold_id": 580}
{"smiles": "C1CCN(C2CC2)C1", "scaffold_id": 581}
{"smiles": "c1ccc(-c2ncnc3ccccc23)cc1", "scaffold_id": 582}
{"smiles": "c1ccc(OCCN2CCNCC2)cc1", "scaffold_id": 583}
{"smiles": "c1ccc(-n2ccc3ccccc32)cc1", "scaffold_id": 584}
{"smiles": "c1ccc(-c2ccnc(-c3ccccc3)c2)cc1", "scaffold_id": 585}
{"smiles": "C1CNCN1", "scaffold_id": 586}
{"smiles": "C1CC2OCCC2O1", "scaffold_id": 587}
{"smiles": "O=C(c1ccccc1)C1CCNCC1", "scaffold_id": 588}
{"smiles": "c1ccc(OC2CCNC2)cc1", "scaffold_id": 589}
{"smiles": "c1ccn(C2CC2)c1", "scaffold_id": 590}
{"smiles": "c1ncc2c(n1)CNCC2", "scaffold_id": 591}
{"smiles": "O=c1ccccn1Cc1ccccc1", "scaffold_id": 592}
{"smiles": "c1ccc(-n2ccnc2)nc1", "scaffold_id": 593}
{"smiles": "c1ccc(C(c2ccccc2)N2CCNCC2)cc1", "scaffold_id": 594}
{"smiles": "c1ccc2c3c([nH]c2c1)CCCC3", "scaffold_id": 595}
{"smiles": "c1ccc(CCNCc2ccccc2)cc1", "scaffold_id": 596}
{"smiles": "c1cncc(-c2cc[nH]n2)c1", "scaffold_id": 597}
{"smiles": "c1ccc(CN2CCN(c3ccccc3)CC2)cc1", "scaffold_id": 598}
{"smiles": "c1ccc2nsnc2c1", "scaffold_id": 599}
{"smiles": "O=C1C(=O)N(c2ccccc2)C(c2ccccc2)C1C(=O)c1ccccc1", "scaffold_id": 600}
{"smiles": "O=C1NCC23CCC(CC12)S3", "scaffold_id": 601}
{"smiles": "c1cnnc(N2CCCCC2)c1", "scaffold_id": 602}
{"smiles": "S=C1NCCN1c1ccccc1", "scaffold_id": 603}
{"smiles": "c1ccc(CN2CCC2)cc1", "scaffold_id": 604}
{"smiles": "c1cncc(N2CCNCC2)c1", "scaffold_id": 605}
{"smiles": "C1=CCNC1", "scaffold_id": 606}
{"smiles": "c1ccc(CC2CCCC2)cc1", "scaffold_id": 607}
{"smiles": "c1cnc(N2CCCCC2)cn1", "scaffold_id": 608}
{"smiles": "c1ccc(CCC2CCCCC2)cc1", "scaffold_id": 609}
{"smiles": "O=C(NCC1CCCCC1)c1ccccc1", "scaffold_id": 610}
{"smiles": "c1ccc(-c2cc3ccccc3o2)cc1", "scaffold_id": 611}
{"smiles": "Oc1ccc2c(c1)CCC1C2CCC2CCCC21", "scaffold_id": 612}
{"smiles": "C1CCC2CNCC2C1", "scaffold_id": 613}
{"smiles": "O=C1CNc2ccccc2N1", "scaffold_id": 614}
{"smiles": "c1ccc(N2CCCNCC2)cc1", "scaffold_id": 615}
{"smiles": "c1cnn(-c2ccncn2)c1", "scaffold_id": 616}
{"smiles": "c1ccc(Cc2ncon2)cc1", "scaffold_id": 617}
{"smiles": "S=C1NC(c2ccccn2)CN1c1ccccc1", "scaffold_id": 618}
{"smiles": "c1[nH]nc2c1CCC2", "scaffold_id": 619}
{"smiles": "O=C1c2ccccc2C(=O)N1c1ccccc1", "scaffold_id": 620}
{"smiles": "O=c1ccc1=O", "scaffold_id": 621}
{"smiles": "O=c1cccc2n1CC1CNCC2C1", "scaffold_id": 622}
{"smiles": "O=C(CCc1ccccc1)NCc1ccccc1", "scaffold_id": 623}
{"smiles": "O=C1OC(c2ccccc2)=NC1=Cc1ccccc1", "scaffold_id": 624}
{"smiles": "O=C(NCc1ccccc1)C1CC1", "scaffold_id": 625}
{"smiles": "O=C1CN=Cc2ccccc2N1", "scaffold_id": 626}
{"smiles": "O=c1ccn(Cc2ccccc2)c(=O)[nH]1", "scaffold_id": 627}
{"smiles": "c1ccc(-c2noc(-c3ccccc3)n2)cc1", "scaffold_id": 628}
{"smiles": "O=c1ccc2cncnc2[nH]1", "scaffold_id": 629}
{"smiles": "O=C(c1ccccn1)N1CCCCC1", "scaffold_id": 630}
{"smiles": "O=C(NCCOc1ccccc1)c1ccccc1", "scaffold_id": 631}
{"smiles": "c1ccc(C2CNC2)cc1", "scaffold_id": 632}
{"smiles": "C1=C2CCCCC2C2CCC3CCCC3C2C1", "scaffold_id": 633}
{"smiles": "c1ccc2c(c1)Cc1ccccc1O2", "scaffold_id": 634}
{"smiles": "c1nnc2n1CCCCC2", "scaffold_id": 635}
{"smiles": "C1=CNCCC1", "scaffold_id": 636}
{"smiles": "c1nc2c([nH]1)CCNC2", "scaffold_id": 637}
{"smiles": "c1cc(C2CC2)on1", "scaffold_id": 638}
{"smiles": "O=S(=O)(Nc1cccnc1)c1ccccc1", "scaffold_id": 639}
{"smiles": "c1cnn(C2CCNCC2)c1", "scaffold_id": 640}
{"smiles": "C1CSCCS1", "scaffold_id": 641}
{"smiles": "c1ccc(C2=NCCN2)cc1", "scaffold_id": 642}
{"smiles": "c1cnc2ccncc2c1", "scaffold_id": 643}
{"smiles": "O=c1cn[nH]c(=O)[nH]1", "scaffold_id": 644}
{"smiles": "c1cc(N2CCCCC2)ccn1", "scaffold_id": 645}
{"smiles": "c1ccc2c3c([nH]c2c1)CCNC3", "scaffold_id": 646}
{"smiles": "C1CCC2CC2C1", "scaffold_id": 647}
{"smiles": "C1=CCc2c[nH]cc2C1", "scaffold_id": 648}
{"smiles": "C1CCC(N2CCCCC2)CC1", "scaffold_id": 649}
{"smiles": "O=C1CCc2ccccc21", "scaffold_id": 650}
{"smiles": "O=c1ccnc2sccn12", "scaffold_id": 651}
{"smiles": "O=C(C=Cc1ccccc1)N1CCNCC1", "scaffold_id": 652}
{"smiles": "C1CC2CCCC(C1)C2", "scaffold_id": 653}
{"smiles": "C1=NN(c2ccccc2)CC1", "scaffold_id": 654}
{"smiles": "c1cncc(CN2CCNCC2)c1", "scaffold_id": 655}
{"smiles": "c1ccc(C2NCCc3ccccc32)cc1", "scaffold_id": 656}
{"smiles": "c1cnc2nccn2c1", "scaffold_id": 657}
{"smiles": "C1=NCCS1", "scaffold_id": 658}
{"smiles": "O=C1NCCCN1", "scaffold_id": 659}
{"smiles": "O=C1CCNCCN1", "scaffold_id": 660}
{"smiles": "c1ccc(Oc2cc[nH]n2)cc1", "scaffold_id": 661}
{"smiles": "c1cnc(N2CCOCC2)nc1", "scaffold_id": 662}
{"smiles": "c1cnc2ccsc2c1", "scaffold_id": 663}
{"smiles": "O=C(Nc1ccccc1)C1CC(=O)N(c2ccccc2)C1", "scaffold_id": 664}
{"smiles": "c1nncn1C1CC1", "scaffold_id": 665}
{"smiles": "c1ncc2[nH]ccc2n1", "scaffold_id": 666}
{"smiles": "c1cnc(N2CCNCC2)cn1", "scaffold_id": 667}
{"smiles": "c1coc(-c2nc[nH]n2)c1", "scaffold_id": 668}
{"smiles": "c1nn2cnnc2s1", "scaffold_id": 669}
{"smiles": "c1cnsn1", "scaffold_id": 670}
{"smiles": "c1cnc(C2CC2)nc1", "scaffold_id": 671}
{"smiles": "C1CCCNCCC1", "scaffold_id": 672}
{"smiles": "C1CCC(OC2CCCOC2)OC1", "scaffold_id": 673}
{"smiles": "c1ccc2c[nH]cc2c1", "scaffold_id": 674}
{"smiles": "O=S1(=O)CCCN1", "scaffold_id": 675}
{"smiles": "O=C1NC(=O)C(c2ccccc2)C1=Nc1ccccc1", "scaffold_id": 676}
{"smiles": "C1=CCOCC1", "scaffold_id": 677}
{"smiles": "S=c1[nH]ccs1", "scaffold_id": 678}
{"smiles": "c1ccc(Cc2nccs2)cc1", "scaffold_id": 679}
{"smiles": "c1cc2c(s1)CCCCC2", "scaffold_id": 680}
{"smiles": "O=c1cc[nH]c(=O)n1-c1ccccc1", "scaffold_id": 681}
{"smiles": "O=C(c1ccccc1)N1CCN(c2ccccc2)CC1", "scaffold_id": 682}
{"smiles": "c1csc(-c2nc[nH]n2)c1", "scaffold_id": 683}
{"smiles": "O=c1c2ccccc2ccn1-c1ccccc1", "scaffold_id": 684}
{"smiles": "c1ccc(OCCCN2CCCCC2)cc1", "scaffold_id": 685}
{"smiles": "O=C(Nc1cn[nH]c1)c1ccccc1", "scaffold_id": 686}
{"smiles": "O=C1CCCC2=Nc3ccccc3NCC12", "scaffold_id": 687}
{"smiles": "O=c1ccocc1", "scaffold_id": 688}
{"smiles": "c1cncc(-c2ncon2)c1", "scaffold_id": 689}
{"smiles": "O=C(Nc1ccccc1)c1cncs1", "scaffold_id": 690}
{"smiles": "O=C(C1CC1)N1CCNCC1", "scaffold_id": 691}
{"smiles": "c1csc(CN2CCNCC2)c1", "scaffold_id": 692}
{"smiles": "c1ccc(OCCN2CCCCC2)cc1", "scaffold_id": 693}
{"smiles": "O=S(=O)(NCCc1ccccc1)c1ccccc1", "scaffold_id": 694}
{"smiles": "c1ccc(OCC2CCCO2)cc1", "scaffold_id": 695}
{"smiles": "C1CNCCSC1", "scaffold_id": 696}
{"smiles": "O=c1[nH]c2cncnc2[nH]1", "scaffold_id": 697}
{"smiles": "c1ccc(CCc2cc[nH]n2)cc1", "scaffold_id": 698}
{"smiles": "c1ccc2c(c1)NCCN2", "scaffold_id": 699}
{"smiles": "O=c1cc[nH]c(-c2ccccc2)n1", "scaffold_id": 700}
{"smiles": "C1=CCCN=C1", "scaffold_id": 701}
{"smiles": "c1cncc(-c2ccncn2)c1", "scaffold_id": 702}
{"smiles": "c1ccc(-c2ccncc2)nc1", "scaffold_id": 703}
{"smiles": "O=C1C=NC(=O)N1", "scaffold_id": 704}
{"smiles": "O=C(Nc1ccccc1)c1cnccn1", "scaffold_id": 705}
{"smiles": "C1NC2CNC1C2", "scaffold_id": 706}
{"smiles": "O=C1CC2CC=CN12", "scaffold_id": 707}
{"smiles": "c1csc(-c2nccs2)c1", "scaffold_id": 708}
{"smiles": "c1ccc(-c2csc3ncncc23)cc1", "scaffold_id": 709}
{"smiles": "C1CC2CCC1N2", "scaffold_id": 710}
{"smiles": "c1cncc(-c2nc[nH]n2)c1", "scaffold_id": 711}
{"smiles": "c1ccc(C2=NCCO2)cc1", "scaffold_id": 712}
{"smiles": "O=C1C=CC(=O)N1c1ccccc1", "scaffold_id": 713}
{"smiles": "O=C(Cn1cccn1)Nc1ccccc1", "scaffold_id": 714}
{"smiles": "C1=CC2c3ccccc3NC(c3ccccc3)C2C1", "scaffold_id": 715}
{"smiles": "O=S(=O)(NCC1CC1)c1ccccc1", "scaffold_id": 716}
{"smiles": "c1ccc2c(c1)NCN2", "scaffold_id": 717}
{"smiles": "c1ccc(-c2cn3ccsc3n2)cc1", "scaffold_id": 718}
{"smiles": "c1ccc(C2NCCS2)cc1", "scaffold_id": 719}
{"smiles": "O=C1CCCc2ccccc2N1", "scaffold_id": 720}
{"smiles": "c1ccc(NC2CCCC2)cc1", "scaffold_id": 721}
{"smiles": "c1ccc(OCc2nccs2)cc1", "scaffold_id": 722}
{"smiles": "c1ccc(-n2nc3ccccc3n2)cc1", "scaffold_id": 723}
{"smiles": "O=C(NCc1ccccc1)c1cccnc1", "scaffold_id": 724}
{"smiles": "c1ccc2sc(N3CCNCC3)nc2c1", "scaffold_id": 725}
{"smiles": "O=C(CCc1ccccc1)N1CCCCC1", "scaffold_id": 726}
{"smiles": "O=C(CSc1nc[nH]n1)c1ccccc1", "scaffold_id": 727}
{"smiles": "O=C1CCCC2=NC=CCC12", "scaffold_id": 728}
{"smiles": "O=C(c1cccs1)N1CCCCC1", "scaffold_id": 729}
{"smiles": "O=C1CCC=CN1", "scaffold_id": 730}
{"smiles": "O=C(c1cc[nH]n1)N1CCCCC1", "scaffold_id": 731}
{"smiles": "O=C1CNCCCN1", "scaffold_id": 732}
{"smiles": "O=C(c1cn[nH]c1)N1CCCCC1", "scaffold_id": 733}
{"smiles": "O=C(NCC1CCCO1)c1ccccc1", "scaffold_id": 734}
{"smiles": "c1cn2cnnc2cn1", "scaffold_id": 735}
{"smiles": "O=C1CSC(c2ccccc2)N1", "scaffold_id": 736}
{"smiles": "c1ccc(CCN2CCCC2)cc1", "scaffold_id": 737}
{"smiles": "c1ccc(C2CCNN2)cc1", "scaffold_id": 738}
{"smiles": "O=C(Nc1ccccc1)c1c[nH]nn1", "scaffold_id": 739}
{"smiles": "O=C(C=Cc1ccccc1)N1CCCCC1", "scaffold_id": 740}
{"smiles": "c1cnc2c[nH]nc2c1", "scaffold_id": 741}
{"smiles": "c1ccc(OCCN2CCCC2)cc1", "scaffold_id": 742}
{"smiles": "S=C1NC(c2cc[nH]c2)C(c2ccccn2)N1", "scaffold_id": 743}
{"smiles": "c1ccc(-c2cnoc2)cc1", "scaffold_id": 744}
{"smiles": "C1=NC=NCN1", "scaffold_id": 745}
{"smiles": "S=C1NCC(c2cc[nH]c2)N1", "scaffold_id": 746}
{"smiles": "c1ccc(CCc2cccs2)cc1", "scaffold_id": 747}
{"smiles": "c1ccc2[cH-]ccc2c1", "scaffold_id": 748}
{"smiles": "O=S(=O)(c1ccccc1)N1CCCCCC1", "scaffold_id": 749}
{"smiles": "c1ccc(COC2CCOCC2)cc1", "scaffold_id": 750}
{"smiles": "c1ccc(CC2CCNC2)cc1", "scaffold_id": 751}
{"smiles": "c1ccc(-c2cc[nH]n2)nc1", "scaffold_id": 752}
{"smiles": "O=C(C1CCCN1)N1CCCC1", "scaffold_id": 753}
{"smiles": "c1ccc(CSc2nncn2-c2ccccc2)cc1", "scaffold_id": 754}
{"smiles": "O=S(=O)(Nc1nccs1)c1ccccc1", "scaffold_id": 755}
{"smiles": "O=C(COC(=O)c1ccccc1)c1ccccc1", "scaffold_id": 756}
{"smiles": "C1CCC2OC2C1", "scaffold_id": 757}
{"smiles": "c1ccc(CC2CCCCN2)cc1", "scaffold_id": 758}
{"smiles": "c1ccc(-c2ccc3[nH]c4ccccc4c3c2)cc1", "scaffold_id": 759}
{"smiles": "c1ccc2c(c1)CCC1C2CCC2CCCC21", "scaffold_id": 760}
{"smiles": "c1ccc(OCc2cccnc2)cc1", "scaffold_id": 761}
{"smiles": "c1cncc(-c2nccs2)c1", "scaffold_id": 762}
{"smiles": "c1cc2n(c1)CCNC2", "scaffold_id": 763}
{"smiles": "c1ccc(NC2CCCCC2)nc1", "scaffold_id": 764}
{"smiles": "O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1", "scaffold_id": 765}
{"smiles": "O=C1N=C(Cc2ccccc2)C(=O)N1", "scaffold_id": 766}
{"smiles": "c1ccc(-c2cccn2-c2ccccc2)cc1", "scaffold_id": 767}
{"smiles": "c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1", "scaffold_id": 768}
{"smiles": "c1ccc(-c2ccccc2-c2nn[nH]n2)cc1", "scaffold_id": 769}
{"smiles": "O=S1(=O)N=CNc2ccccc21", "scaffold_id": 770}
{"smiles": "C1=CC2CC1c1c[nH]cc12", "scaffold_id": 771}
{"smiles": "C1=CCC(c2ccccc2)C=C1", "scaffold_id": 772}
{"smiles": "O=c1cc[nH]c2ccnn12", "scaffold_id": 773}
{"smiles": "c1ccc(-c2nc3cccnc3[nH]2)cc1", "scaffold_id": 774}
{"smiles": "c1ccc(OCn2cccn2)cc1", "scaffold_id": 775}
{"smiles": "c1ccc(C2NCCc3c2[nH]c2ccccc32)cc1", "scaffold_id": 776}
{"smiles": "c1cc(N2CCNCC2)ccn1", "scaffold_id": 777}
{"smiles": "C1CC2CNCCN2C1", "scaffold_id": 778}
{"smiles": "c1ccc(CNC2CCCC2)cc1", "scaffold_id": 779}
{"smiles": "c1ccc(Oc2ncccn2)cc1", "scaffold_id": 780}
{"smiles": "O=C(Nc1ccccc1)c1cc2ccccc2[nH]1", "scaffold_id": 781}
{"smiles": "O=C1CCCc2ccccc21", "scaffold_id": 782}
{"smiles": "c1ccc(-n2ncc3ccccc32)cc1", "scaffold_id": 783}
{"smiles": "O=C(Nc1ccccc1)c1cscn1", "scaffold_id": 784}
{"smiles": "c1ccc(-n2nccn2)cc1", "scaffold_id": 785}
{"smiles": "O=C1CCN1c1ccccc1", "scaffold_id": 786}
{"smiles": "c1nnc2n1CCCC2", "scaffold_id": 787}
{"smiles": "S=C(Nc1ccccc1)Nc1ccccc1", "scaffold_id": 788}
{"smiles": "c1ccc(COc2ccccn2)cc1", "scaffold_id": 789}
{"smiles": "O=C(NC1CCCNC1)c1ccccc1", "scaffold_id": 790}
{"smiles": "C1=CC(c2ccccc2)=CCC1", "scaffold_id": 791}
{"smiles": "O=C(NN=Cc1ccccc1)C(=O)Nc1ccccc1", "scaffold_id": 792}
{"smiles": "c1ccc2nonc2c1", "scaffold_id": 793}
{"smiles": "c1ccc(-c2cccnc2)nc1", "scaffold_id": 794}
{"smiles": "c1cnc2[nH]ccc2n1", "scaffold_id": 795}
{"smiles": "C1CC2(CCN1)OCCO2", "scaffold_id": 796}
{"smiles": "O=C1SC(=Cc2ccccc2)C(=O)N1Cc1ccccc1", "scaffold_id": 797}
{"smiles": "c1ccc(-c2cocn2)cc1", "scaffold_id": 798}
{"smiles": "c1ccc2c(c1)C1c3ccccc3C2c2c[nH]cc21", "scaffold_id": 799}
{"smiles": "c1nc(CN2CCCCC2)cs1", "scaffold_id": 800}
{"smiles": "c1ccc(NCc2cccs2)cc1", "scaffold_id": 801}
{"smiles": "O=C(CSc1n[nH]c(COc2ccccc2)n1)Nc1ccccc1", "scaffold_id": 802}
{"smiles": "O=C1C=CCN1", "scaffold_id": 803}
{"smiles": "c1ccc2c(c1)[nH]c1cnccc12", "scaffold_id": 804}
{"smiles": "c1ccc(OCCCN2CCNCC2)cc1", "scaffold_id": 805}
{"smiles": "O=C1CCCC2=NC=CC(c3ccccc3)C12", "scaffold_id": 806}
{"smiles": "c1ccc(CN2CCCNCC2)cc1", "scaffold_id": 807}
{"smiles": "O=C1NC(=O)C2(CCNCC2)N1", "scaffold_id": 808}
{"smiles": "O=C(OCc1ccccc1)N1CCCC1", "scaffold_id": 809}
{"smiles": "O=C1CCN(Cc2ccccc2)C1=O", "scaffold_id": 810}
{"smiles": "c1ccc(N2CCCNCC2)nc1", "scaffold_id": 811}
{"smiles": "c1ccc(OC2CNC2)cc1", "scaffold_id": 812}
{"smiles": "O=C(CN1CCNCC1)NCc1ccccc1", "scaffold_id": 813}
{"smiles": "O=C1C(=Cc2ccccc2)SC(=S)N1c1ccccc1", "scaffold_id": 814}
{"smiles": "c1ccc2c(c1)CCCCN2", "scaffold_id": 815}
{"smiles": "c1noc(CN2CCCCC2)n1", "scaffold_id": 816}
{"smiles": "O=C(C=Cc1ccccc1)Oc1ccccc1", "scaffold_id": 817}
{"smiles": "c1ccc(C2OCCO2)cc1", "scaffold_id": 818}
{"smiles": "O=c1cc[nH]c2ncccc12", "scaffold_id": 819}
{"smiles": "c1ccc(Nc2nc(-c3ccccc3)cs2)cc1", "scaffold_id": 820}
{"smiles": "O=c1[nH]cnc2c1CCNC2", "scaffold_id": 821}
{"smiles": "c1csc(-c2ncon2)c1", "scaffold_id": 822}
{"smiles": "C1=CSCC1", "scaffold_id": 823}
{"smiles": "c1ccc(-c2nc[nH]n2)nc1", "scaffold_id": 824}
{"smiles": "C1CCC2(CC1)OCCO2", "scaffold_id": 825}
{"smiles": "O=C(COc1ccccc1)N1CCCC1", "scaffold_id": 826}
{"smiles": "Nc1nccs1", "scaffold_id": 827}
{"smiles": "O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccccc1", "scaffold_id": 828}
{"smiles": "O=C1CNCCN1c1ccccc1", "scaffold_id": 829}
{"smiles": "O=C(CSc1nncs1)Nc1ccccc1", "scaffold_id": 830}
{"smiles": "C1CC2CCC(CN1)N2", "scaffold_id": 831}
{"smiles": "O=C1CCOc2ccccc2N1", "scaffold_id": 832}
{"smiles": "c1ccc(-n2ncc3cncnc32)cc1", "scaffold_id": 833}
{"smiles": "c1nc(C2CCC2)no1", "scaffold_id": 834}
{"smiles": "c1ccc(CNCc2ccco2)cc1", "scaffold_id": 835}
{"smiles": "O=c1[nH]cnc2c1CNCC2", "scaffold_id": 836}
{"smiles": "c1ccc(NCc2ccccn2)cc1", "scaffold_id": 837}
{"smiles": "O=C(Cc1cscn1)Nc1ccccc1", "scaffold_id": 838}
{"smiles": "c1csc(N2CCCCC2)n1", "scaffold_id": 839}
{"smiles": "O=C1NCNc2ccccc21", "scaffold_id": 840}
{"smiles": "c1ncc2[nH]ncc2n1", "scaffold_id": 841}
{"smiles": "O=c1[nH]cno1", "scaffold_id": 842}
{"smiles": "C1CCC(C2CC2)CC1", "scaffold_id": 843}
{"smiles": "c1ccc(Nc2nccs2)nc1", "scaffold_id": 844}
{"smiles": "c1ncn2c1CCCC2", "scaffold_id": 845}
{"smiles": "O=c1cccc(-c2ccccc2)[nH]1", "scaffold_id": 846}
{"smiles": "c1nc(C2CC2)cs1", "scaffold_id": 847}
{"smiles": "c1ccc2c(c1)c1ccccc1c1ccccc21", "scaffold_id": 848}
{"smiles": "c1cc2c(cc1CN1CCNCC1)OCO2", "scaffold_id": 849}
{"smiles": "O=C(c1cc[nH]n1)N1CCNCC1", "scaffold_id": 850}
{"smiles": "C1OC2COCC2O1", "scaffold_id": 851}
{"smiles": "c1ccc(-c2nccc3ccccc23)cc1", "scaffold_id": 852}
{"smiles": "C1CCC(N2CCOCC2)CC1", "scaffold_id": 853}
{"smiles": "c1ccc(OCC2CCCCC2)cc1", "scaffold_id": 854}
{"smiles": "O=C(CCc1ccccc1)N1CCNCC1", "scaffold_id": 855}
{"smiles": "O=C(COC(=O)COc1ccccc1)Nc1ccccc1", "scaffold_id": 856}
{"smiles": "c1ccc(CNC2CCNCC2)cc1", "scaffold_id": 857}
{"smiles": "C1CSCSC1", "scaffold_id": 858}
{"smiles": "O=C1CCNC(=O)N1", "scaffold_id": 859}
{"smiles": "c1ccc(N=Nc2cccc3ccccc23)cc1", "scaffold_id": 860}
{"smiles": "C1=COCC1", "scaffold_id": 861}
{"smiles": "C1C2CC1C2", "scaffold_id": 862}
{"smiles": "O=C1NCC(c2ccccc2)O1", "scaffold_id": 863}
{"smiles": "c1cnn(C2CCCC2)c1", "scaffold_id": 864}
{"smiles": "O=C(OCC1CCCO1)c1ccccc1", "scaffold_id": 865}
{"smiles": "O=C(NCc1ccco1)c1ccccc1", "scaffold_id": 866}
{"smiles": "c1cc2c[nH]nc2s1", "scaffold_id": 867}
{"smiles": "c1ccc(Cc2nc3ccccc3[nH]2)cc1", "scaffold_id": 868}
{"smiles": "c1ccc(OCC2CCCNC2)cc1", "scaffold_id": 869}
{"smiles": "C1=NCCCC1", "scaffold_id": 870}
{"smiles": "O=C1NC(c2ccccc2)CO1", "scaffold_id": 871}
{"smiles": "c1ccc(CNCC2CCCCC2)cc1", "scaffold_id": 872}
{"smiles": "c1ccc(-c2cnn3cccnc23)cc1", "scaffold_id": 873}
{"smiles": "c1cc(C2CCCNC2)[nH]n1", "scaffold_id": 874}
{"smiles": "S=C1NCC(c2ccc[nH]2)N1", "scaffold_id": 875}
{"smiles": "C1CCN2CCNCC2C1", "scaffold_id": 876}
{"smiles": "c1cc(-c2ncon2)ccn1", "scaffold_id": 877}
{"smiles": "S=C1NC(c2ccccn2)C(c2ccc[nH]2)N1", "scaffold_id": 878}
{"smiles": "C1CC1C1CC1", "scaffold_id": 879}
{"smiles": "c1coc(-c2cc[nH]n2)c1", "scaffold_id": 880}
{"smiles": "O=C(CNc1ccccc1)N(CCc1ccccc1)Cc1ccccc1", "scaffold_id": 881}
{"smiles": "c1ccc(N2CCCCCC2)cc1", "scaffold_id": 882}
{"smiles": "c1ccc(CCc2ccccn2)cc1", "scaffold_id": 883}
{"smiles": "O=C1NCCNC1=O", "scaffold_id": 884}
{"smiles": "c1cnc(NC2CCCCC2)nc1", "scaffold_id": 885}
{"smiles": "c1cc2c(cc1C1CC1)OCO2", "scaffold_id": 886}
{"smiles": "c1csc(CN2CCCCC2)c1", "scaffold_id": 887}
{"smiles": "C1=NCNN1", "scaffold_id": 888}
{"smiles": "c1ccc([SiH2]c2ccccc2)cc1", "scaffold_id": 889}
{"smiles": "O=c1[nH]cnc2c1ncn2C1CCCO1", "scaffold_id": 890}
{"smiles": "C1=CNCN=C1", "scaffold_id": 891}
{"smiles": "c1ccc(CCNCCc2ccccc2)cc1", "scaffold_id": 892}
{"smiles": "c1ncc2[nH]nnc2n1", "scaffold_id": 893}
{"smiles": "c1cc2c3c(c[nH]c3c1)CC1NCCCC21", "scaffold_id": 894}
{"smiles": "c1ccc(-c2ncnn2-c2ccccc2)cc1", "scaffold_id": 895}
{"smiles": "C1CC2CC2N1", "scaffold_id": 896}
{"smiles": "c1cc(C2CC2)ncn1", "scaffold_id": 897}
{"smiles": "c1ccc(-c2csc(-c3ccccc3)n2)cc1", "scaffold_id": 898}
{"smiles": "c1cncc(-c2ccc3[nH]ncc3c2)c1", "scaffold_id": 899}
{"smiles": "c1ccc(-n2cnc3cccnc32)cc1", "scaffold_id": 900}
{"smiles": "O=C(NC1CCNC1)c1ccccc1", "scaffold_id": 901}
{"smiles": "c1ccc(CSc2nncs2)cc1", "scaffold_id": 902}
{"smiles": "O=C(Nc1ccccc1)C1CCC1", "scaffold_id": 903}
{"smiles": "C1CCN2CCCC2C1", "scaffold_id": 904}
{"smiles": "c1ccc(Cc2cncnc2)cc1", "scaffold_id": 905}
{"smiles": "C1=CCCC(c2ccccc2)=C1", "scaffold_id": 906}
{"smiles": "c1ccc(-n2cccc2)nc1", "scaffold_id": 907}
{"smiles": "O=C(c1ccccc1)N1CCc2ccccc2C1", "scaffold_id": 908}
{"smiles": "c1coc(CN2CCCCC2)c1", "scaffold_id": 909}
{"smiles": "c1ccc(N2CCC2)cc1", "scaffold_id": 910}
{"smiles": "c1ccc2c(c1)NCCCO2", "scaffold_id": 911}
{"smiles": "c1ccc2nc3c(cc2c1)CCCC3", "scaffold_id": 912}
{"smiles": "c1ccc(OCCN2CCOCC2)cc1", "scaffold_id": 913}
{"smiles": "c1ccc(N=Nc2ccc3ccccc3c2)cc1", "scaffold_id": 914}
{"smiles": "O=C1CCN(c2nc3ccccc3s2)C1=O", "scaffold_id": 915}
{"smiles": "c1ccc(Sc2ccccn2)cc1", "scaffold_id": 916}
{"smiles": "c1ccc(NCC2CC2)cc1", "scaffold_id": 917}
{"smiles": "c1nc2sccn2n1", "scaffold_id": 918}
{"smiles": "c1ccc(-n2c3ccccc3c3ccccc32)nc1", "scaffold_id": 919}
{"smiles": "C1=NC=NCC1", "scaffold_id": 920}
{"smiles": "O=c1[nH]c2ccccc2n1C1CCNCC1", "scaffold_id": 921}
{"smiles": "O=C(OC1CCOC1)c1ccccc1", "scaffold_id": 922}
{"smiles": "N=C1NC(=O)C(=Cc2ccccc2)S1", "scaffold_id": 923}
{"smiles": "c1ccc(COCc2ccccc2)cc1", "scaffold_id": 924}
{"smiles": "O=C(OC1CCCCC1)c1ccccc1", "scaffold_id": 925}
{"smiles": "c1ncc2c3c(sc2n1)CCC3", "scaffold_id": 926}
{"smiles": "O=C(Cc1ccccc1)NCCc1ccccc1", "scaffold_id": 927}
{"smiles": "O=S(=O)(Nc1ccccn1)c1ccccc1", "scaffold_id": 928}
{"smiles": "O=C1CCCCO1", "scaffold_id": 929}
{"smiles": "C1CC2NCCOC2C1", "scaffold_id": 930}
{"smiles": "c1ccc(NCC2CCCCC2)cc1", "scaffold_id": 931}
{"smiles": "c1cc2c[nH]nc2cn1", "scaffold_id": 932}
{"smiles": "C1CCC(N2CCCC2)C1", "scaffold_id": 933}
{"smiles": "C(=NCc1ccccc1)Nc1ccccc1", "scaffold_id": 934}
{"smiles": "O=C1C(=Nc2ccccc2)C(c2ccccc2)C(=O)N1c1ccccc1", "scaffold_id": 935}
{"smiles": "C1CC2CNCC1C2", "scaffold_id": 936}
{"smiles": "c1ccc(Cc2nnco2)cc1", "scaffold_id": 937}
{"smiles": "C1CC2(CC2)CN1", "scaffold_id": 938}
{"smiles": "O=C(CSc1ccccn1)Nc1ccccc1", "scaffold_id": 939}
{"smiles": "c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1", "scaffold_id": 940}
{"smiles": "C1CN(C2CC2)CCN1", "scaffold_id": 941}
{"smiles": "O=C(c1cccnc1)N1CCNCC1", "scaffold_id": 942}
{"smiles": "c1ccc(Cc2cn[nH]c2)cc1", "scaffold_id": 943}
{"smiles": "c1ccc(NC2CCOCC2)cc1", "scaffold_id": 944}
{"smiles": "O=S1(=O)CCC(n2cccn2)C1", "scaffold_id": 945}
{"smiles": "c1cc[cH-]c1", "scaffold_id": 946}
{"smiles": "O=C1NCC23C=CC(CC12)O3", "scaffold_id": 947}
{"smiles": "c1cc(NCC2CC2)ncn1", "scaffold_id": 948}
{"smiles": "c1ccc(Nc2cnccn2)cc1", "scaffold_id": 949}
{"smiles": "S=C1N=CCCN1", "scaffold_id": 950}
{"smiles": "c1ccc(-c2nnc(-c3ccccc3)o2)cc1", "scaffold_id": 951}
{"smiles": "O=c1[nH]nn[nH]1", "scaffold_id": 952}
{"smiles": "c1ccc(CNC2CCC2)cc1", "scaffold_id": 953}
{"smiles": "c1ccc(CCc2cccnc2)cc1", "scaffold_id": 954}
{"smiles": "c1ccc(C2CCCO2)cc1", "scaffold_id": 955}
{"smiles": "c1ccc(OCC2CO2)cc1", "scaffold_id": 956}
{"smiles": "c1cnc2ccoc2c1", "scaffold_id": 957}
{"smiles": "c1cnc2c(c1)CNCC2", "scaffold_id": 958}
{"smiles": "c1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1", "scaffold_id": 959}
{"smiles": "c1cc(-c2nc[nH]n2)ccn1", "scaffold_id": 960}
{"smiles": "O=C1NC(=O)C(=O)N1", "scaffold_id": 961}
{"smiles": "O=c1c(-c2ccccc2)coc2ccccc12", "scaffold_id": 962}
{"smiles": "O=C1C(=Cc2ccccc2)Oc2ccccc21", "scaffold_id": 963}
{"smiles": "O=C(COC(=O)c1ccccc1)NCc1ccccc1", "scaffold_id": 964}
{"smiles": "C1CCC(N2CCNCC2)C1", "scaffold_id": 965}
{"smiles": "O=C1CCCN1CCc1ccccc1", "scaffold_id": 966}
{"smiles": "c1ccc(CNCc2cccnc2)cc1", "scaffold_id": 967}
{"smiles": "c1ccc(CNCc2cn[nH]c2)cc1", "scaffold_id": 968}
{"smiles": "c1ccc(CCNc2ccccn2)cc1", "scaffold_id": 969}
{"smiles": "O=C1C=CCC1", "scaffold_id": 970}
{"smiles": "c1c[nH]c(C2CCCN2)n1", "scaffold_id": 971}
{"smiles": "c1[nH]nnc1C1CC1", "scaffold_id": 972}
{"smiles": "O=C1NCC(C(=O)c2ccc(OCc3ccccc3)cc2)C1=O", "scaffold_id": 973}
{"smiles": "c1cc(-c2cn[nH]c2)ccn1", "scaffold_id": 974}
{"smiles": "c1ccc(CNc2ncnc3ccccc23)cc1", "scaffold_id": 975}
{"smiles": "C1CCC(N2CCCC2)CC1", "scaffold_id": 976}
{"smiles": "O=C(c1cncs1)N1CCCCC1", "scaffold_id": 977}
{"smiles": "O=C1NCC(C(=O)c2ccc3c(c2)CCO3)C1=O", "scaffold_id": 978}
{"smiles": "O=C1CCN(c2nccs2)C1=O", "scaffold_id": 979}
{"smiles": "O=C(Nc1ccccc1)Oc1ccccc1", "scaffold_id": 980}
{"smiles": "S=c1[nH]ncn1N=Cc1ccccc1", "scaffold_id": 981}
{"smiles": "O=C(COc1ccccc1)N(CCc1ccccc1)Cc1ccccc1", "scaffold_id": 982}
{"smiles": "O=C(C1CCCC1)N1CCCCC1", "scaffold_id": 983}
{"smiles": "c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21", "scaffold_id": 984}
{"smiles": "O=C(Nc1ccccc1)NC1CCNCC1", "scaffold_id": 985}
{"smiles": "c1ccc(-c2cccc(-c3ncncn3)c2)cc1", "scaffold_id": 986}
{"smiles": "C=C(c1ccccc1)c1ccccc1", "scaffold_id": 987}
{"smiles": "C1CN(C2CNC2)CCN1", "scaffold_id": 988}
{"smiles": "c1cncc(-c2cn[nH]c2)c1", "scaffold_id": 989}
{"smiles": "O=C(NC1CC1)C1CCCN1", "scaffold_id": 990}
{"smiles": "O=c1ccc(-c2ccccc2)c[nH]1", "scaffold_id": 991}
{"smiles": "O=c1cn[nH]cn1", "scaffold_id": 992}
{"smiles": "C1CN(C2CCNC2)CCN1", "scaffold_id": 993}
{"smiles": "O=C(CCc1ccccc1)c1ccccc1", "scaffold_id": 994}
{"smiles": "c1ccc(OCc2nnco2)cc1", "scaffold_id": 995}
{"smiles": "O=C1CC(c2ccccc2)N(c2nccs2)C1=O", "scaffold_id": 996}
{"smiles": "c1ccc(OCc2cnoc2)cc1", "scaffold_id": 997}
{"smiles": "c1ccc(-n2ncc3c2CCC3)cc1", "scaffold_id": 998}
{"smiles": "O=C1CC(C(=O)OCC(=O)Nc2ccccc2)CN1", "scaffold_id": 999}