fragmax_fraglib

name: FragMAXlib
fragments:
  VT00002: NC(=O)C1=CC=CC(CO)=C1
  VT00015: O=C(N1CCNCC1)C1=CC=NC=C1
  VT00019: O=S1(=O)CC(CN1)C1=CC=CC=C1
  VT00022: N1C=NC(=C1)C1=CC=CC=C1
  VT00025: OC1CN(C1)C(=O)C1=CC=CC=C1
  VT00029: OC(=O)CN1CCCCCC1=O
  VT00033: CC1=C(C=CC(N)=C1)C(N)=O
  VT00034: NC1=CC2=C(CCOC2)N=C1
  VT00036: CC(=O)NC1CCNCC1
  VT00038: O=C1NC=C(C=C1)S(=O)(=O)N1CCCC1
  VT00039: NC1=NC=C(Cl)C=N1
  VT00048: ClC1=CC=C2NC(=O)OC2=C1
  VT00049: NC1=CC=NN1CC1=CC=NC=C1
  VT00053: O=C1NCC2=CC=CN=C12
  VT00056: NC1=NC(=CO1)C(F)(F)F
  VT00058: COC1=CC=NC(=C1)C(N)=O
  VT00059: CNC(=O)C1=CC=CS1
  VT00064: COC1=CC(N)=CC(F)=C1
  VT00065: CNCC1=NC=CS1
  VT00066: CN1C=CN=C1C(O)C(F)(F)F
  VT00068: CC1=NC=C(N1)C(F)(F)F
  VT00077: CC1=CSC(CC(N)=O)=N1
  VT00079: COC1=C(C=CC=C1)C(N)=O
  VT00082: OC(=O)C1=CC2=C(NC(=O)C2)C=C1
  VT00083: CC1=CC=CN2C(N)=CN=C12
  VT00084: CC1=CC=C(C=C1)S(=O)(=O)N1CCC[C@H]1C(O)=O
  VT00085: NC1=CC=CC2=NC=CC=C12
  VT00086: NC(=O)C1CCC2=CC=CC=C2N1
  VT00087: NC1=NC(=CN=C1)N1CCCC1
  VT00089: NC(=O)C1=CC2=C(C=NN2)C=C1
  VT00096: NC1=CC(=NO1)C1CC1
  VT00113: NC1=CN=C(N=C1)N1CCOCC1
  VT00118: COC1=CC=CN=C1N
  VT00122: O=C1CC(CN1)C1CC1
  VT00123: O=C1CC(CN1)C1=CC=NC=C1
  VT00124: NC1=CC(=O)NC2=C1CCC2
  VT00127: O=C1NN=CN1C1=CC=CC=C1
  VT00128: OC1=CC=CC(=N1)C(F)(F)F
  VT00136: CNC1=NC=NC2=CC=CC=C12
  VT00143: NC1=CC(=CC=N1)C#N
  VT00147: CC(=O)N1CCCCC1CO
  VT00150: COC1=CC=C(C=N1)C#N
  VT00154: NCC1=CN2C=CC=CC2=N1
  VT00155: O=C1CCC2=CC=CC3=C2N1CC3
  VT00159: O1N=CC=C1C1=CC=CC=C1
  VT00162: N1C2=C(C=CC=C2)N=C1C1=CC=CN=C1
  VT00163: C1CNCC(C1)C1=NC2=C(N1)C=CC=C2
  VT00164: NC(C1=CC=CN1)C(F)(F)F
  VT00165: NCC1=CC2=C(CCC2)S1
  VT00167: NC(=O)C1=C(C=CS1)C1=CC=CC=C1
  VT00169: CC1=CN2C=C(N)C=CC2=N1
  VT00172: N#CC1=C2C=CNC2=NC=C1
  VT00173: NS(=O)(=O)C1=CN=CC=C1
  VT00175: O=C1NC2=CC=CC=C2C=C1
  VT00178: NC1CCN(C1=O)C1=CC=CC=C1
  VT00180: NC(=O)C1=CNC2=CC=CC=C12
  VT00181: CCS(=O)(=O)NC1=CC=CN=C1
  VT00188: FC(F)(F)C1=CC(=O)NC=C1
  VT00190: CC1=NC2=CC=CC=C2N1CCO
  VT00191: COC(=O)C1=C2C=CC=CN2C=N1
  VT00193: CS(=O)(=O)N1CCOCC1
  VT00198: CNC(=O)C1=CC=CC=C1
  VT00204: COC(=O)C1CN(C)C(=O)C1
  VT00207: COC(=O)CN1C=CC(N)=N1
  VT00210: CN1CCCCS1(=O)=O
  VT00211: OCC1CCCCO1
  VT00212: CC(=O)CC1=NC(=NO1)C1=CC=C(C)C=C1
  VT00213: CCC1=NOC(C1)C(O)=O
  VT00214: CC1=NN=C2C=CC(=CN12)C(O)=O
  VT00215: COC(=O)C1=C(C)NN=C1C
  VT00216: CN1C=CC=C1C(N)=O
  VT00217: O=C1OCCC2=CC=CC=C12
  VT00218: C1CCC2=NN=CN2C1
  VT00219: CN(CC1=CC=CC=C1)C(N)=O
  VT00220: CN1N=C(C=C1C(N)=O)C(F)(F)F
  VT00221: NC1=CC=C2C=CC=CC2=N1
  VT00222: CN(C(C)=O)C1=CC=CC=N1
  VT00223: CN(C)S(=O)(=O)C1=CC=CC=C1F
  VT00224: NC(=O)C1=CC=NC(Cl)=C1
  VT00225: CC1=NNC(=C1)C(F)(F)F
  VT00226: NC1=CC=C(C=N1)C(F)(F)F
  VT00227: NC1=NC(=CO1)C1=CC=CC=C1
  VT00228: COC1=NC=CC=C1C(O)=O
  VT00229: OCC1=CN(CC2=CC=CC=C2)N=N1
  VT00230: NC1=C(C=NN1)C1=CC=C(F)C=C1
  VT00231: NCC1=CC=CN=C1N1CCCC1
  VT00232: C1=CN(N=C1)C1=CC=CC=N1
  VT00233: CNC1=NC=CC=C1OC
  VT00234: OCC1=CN=C(N1)C1=CC=CC=C1
  VT00235: CC1=CC=C(Cl)N=N1
  VT00236: COC(=O)C1=CC=NN=C1
  VT00237: CC(O)C1=NC(C)=CS1
  VT00238: OC1=NOC2=CC=CC=C12
  VT00239: CN(C)C1=CC=NC(N)=C1
  VT00240: N1C=CC2=CC=CN=C12
  VT00241: OC1=CC=C(Cl)N=C1
  VT00242: CC1=CC(C)=NC=N1
  VT00243: CN1C=NC2=C(Cl)N=CN=C12
  VT00244: NC1=C2C3=C(CCC3)SC2=NC=N1
  VT00245: CC1=CC=C(S1)C1=CC(=NN1)C(O)=O
  VT00246: C1=NN2C=CC=CC2=N1
  VT00247: CC1=NN2CCC(=O)NC2=C1
  VT00248: CS(=O)(=O)N1C=CC=C1
  VT00249: O=C1N[C@@H](CO1)C1=CC=CC=C1
  VT00250: O=C1NC2CCC1CC2
  VT00251: O=C1CNCCN1C1=CC=CC=C1
  VT00252: O=C1NCCN2CCCC12
  VT00253: CC1CCC2(CC(=O)N2)CC1
  VT00254: O=C1NC(=CS1)C1=CC=CN=C1
  VT00255: COC(=O)C1=CC=NC(O)=C1
  VT00257: CNS(=O)(=O)C1=C(C)ON=C1C
  VT00258: COC1=C2NN=CC2=CC=C1
  VT00259: COC(=O)C1=NNC2=C1CCCC2
  VT00260: CCS(=O)(=O)N1CCCC(C1)C(O)=O
  VT00261: N#CC1=CC=CN=C1N1CCOCC1
  VT00262: NC(=O)C1(CCOCC1)N1CCCC1
  VT00263: CN1CCCN(C)C1=O
  VT00264: COC1=CC=C2NC(C)=NC2=C1
  VT00265: NC1=C2N=CNC2=CC=C1
  VT00267: CN1CCCC1CO
  VT00268: C1=CC=C(C=C1)C2=CSC(=N2)N
  VT00401: CC(=O)NC1=CC=C(C=C1)C(=O)O
  VT00402: C1=CC=C2C(=C1)C(=NS2(=O)=O)N
  VT00403: CN1C=C(N)C=CC1=O
  VT00404: CC1=CC(=CN=C1)N
  VT00405: O=C1NC(=O)c2ccccc2N1
  VT00406: CN(C)CC1=CC=CC=C1
  VT00407: C1CNCC2=C1C=CC=C2Cl
  VT00408: Cc1cc(Cl)nnc1
  VT00409: C1=C(C=NC(=N1)CN)Cl
  VT00410: NC1=C2CCCC2=NO1
  VT00411: C1CC2(C3=CC=CC=C31)C(=O)NC(=O)N2
  VT00412: CC1=C(OC(=O)O1)C
  VT00413: CN(C)C(=O)C1=CC=CN1
  VT00414: CC1=C(C=C(C=C1)N)C
  VT00415: CC1=CC(=C(C=C1)C(=O)O)C
  VT00416: CC1(CC(=O)OC(=O)C1)C
  VT00417: CC1=C(C=NC=C1)C
  VT00418: CCOC(=O)N1CCOCC1
  VT00419: C1C2=C(CN1)C(=CC=C2)F
  VT00420: C1=CC=NC(=C1)F
  VT00421: CN(C)C(=O)C1=CC(=CC=C1)O
  VT00422: C1CCN2C(=CN=C2C3CCNCC3)C1
  VT00423: C1=CC(=CC=C1C2=NC=CN2)O
  VT00424: C1=CC2=C(C=CN=C2)C=C1C(=O)O
  VT00425: COc1cccc(CO)n1
  VT00426: C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
  VT00427: CN1C=CC=CC1=O
  VT00428: CC1=C(C=C2C=CC=NC2=N1)C(=O)O
  VT00429: CN1C=C(N=C1)C(=O)O
  VT00430: CC1=C2C=C(C=CC2=NN1)N
  VT00431: CC1=CC=C(O1)C(=O)N
  VT00432: CC1COCCN1
  VT00433: CC1=CC(=CC=C1)OCC(=O)N
  VT00434: CN1CCC(CC1)CO
  VT00435: CNC(=O)C1=CC=CC=N1
  VT00436: CC1CCCN1C(=O)C
  VT00437: C1=CN=CC=C1C2=NN=CO2
  VT00438: C1CCOC(C1)N2C=CC=N2
  VT00439: c1ccc(cc1)-n2ccnc2
  VT00440: C1=CC=C(C=C1)CCC(=O)N
  VT00441: C1CCN(CC1)CC2=CC=CC(=C2)C(=N)
  VT00442: C1=CN=CC2=C1C(=O)OC2=O
  VT00443: C1=CN=C(N=C1)C#N
  VT00444: C1CCN(C1)CC2=CC=CC(=C2)C(=O)O.Cl
  VT00445: C1CCN(C1)C(=O)C2=CC=C(C=C2)CN
  VT00446: C1CCC2=C(C1)C(=CS2)C(=O)O
  VT00447: CC1CNC(C)(C)C1
  VT00448: CC1(COCOC1)C
  VT00449: CC(C(=O)O)N1C=CN=C1.Cl
  VT00450: COCC1=NC=CN1
  VT00451: CNC(=O)C1CCCCN1