smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](CCOCC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428803067 1067900946 /nfs/dbraw/zinc/90/09/46/1067900946.db2.gz IHOLKZKWGGBYDP-HOTGVXAUSA-N 2 1 426.605 -1.066 20 0 IAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428803069 1067900900 /nfs/dbraw/zinc/90/09/00/1067900900.db2.gz IHOLKZKWGGBYDP-HZPDHXFCSA-N 2 1 426.605 -1.066 20 0 IAADMP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428803071 1067900970 /nfs/dbraw/zinc/90/09/70/1067900970.db2.gz IHOLKZKWGGBYDP-IYBDPMFKSA-N 2 1 426.605 -1.066 20 0 IAADMP C[NH+](CCOCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428803071 1067900969 /nfs/dbraw/zinc/90/09/69/1067900969.db2.gz IHOLKZKWGGBYDP-IYBDPMFKSA-N 2 1 426.605 -1.066 20 0 IAADMP C[NH+](CCOCC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428803071 1067900964 /nfs/dbraw/zinc/90/09/64/1067900964.db2.gz IHOLKZKWGGBYDP-IYBDPMFKSA-N 2 1 426.605 -1.066 20 0 IAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442075204 1067755772 /nfs/dbraw/zinc/75/57/72/1067755772.db2.gz FIIMESUWUNVCBM-HNNXBMFYSA-N 2 1 437.545 -1.197 20 0 IAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442075204 1067755764 /nfs/dbraw/zinc/75/57/64/1067755764.db2.gz FIIMESUWUNVCBM-HNNXBMFYSA-N 2 1 437.545 -1.197 20 0 IAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442075207 1067755637 /nfs/dbraw/zinc/75/56/37/1067755637.db2.gz FIIMESUWUNVCBM-OAHLLOKOSA-N 2 1 437.545 -1.197 20 0 IAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442075207 1067755632 /nfs/dbraw/zinc/75/56/32/1067755632.db2.gz FIIMESUWUNVCBM-OAHLLOKOSA-N 2 1 437.545 -1.197 20 0 IAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000448532978 1067785912 /nfs/dbraw/zinc/78/59/12/1067785912.db2.gz QYYHKFYNLRHKOM-UHFFFAOYSA-N 2 1 429.529 -0.498 20 0 IAADMP C[NH+]1CC[C@@](O)(CNC(=O)CN(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)c2ccccc2)C1 ZINC000462490193 1067899517 /nfs/dbraw/zinc/89/95/17/1067899517.db2.gz AKDDPDOBZOGVRM-FGZHOGPDSA-N 2 1 433.553 -1.141 20 0 IAADMP C[NH+]1CC[C@@](O)(CNC(=O)CN(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2)C1 ZINC000462490194 1067899500 /nfs/dbraw/zinc/89/95/00/1067899500.db2.gz AKDDPDOBZOGVRM-SZPZYZBQSA-N 2 1 433.553 -1.141 20 0 IAADMP C[NH+]1CC[C@@](O)(CNC(=O)CN(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c2ccccc2)C1 ZINC000462490194 1067899492 /nfs/dbraw/zinc/89/94/92/1067899492.db2.gz AKDDPDOBZOGVRM-SZPZYZBQSA-N 2 1 433.553 -1.141 20 0 IAADMP C[NH+]1CC[C@](O)(CNC(=O)CN(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)c2ccccc2)C1 ZINC000462490194 1067899481 /nfs/dbraw/zinc/89/94/81/1067899481.db2.gz AKDDPDOBZOGVRM-SZPZYZBQSA-N 2 1 433.553 -1.141 20 0 IAADMP C[NH+]1CC[C@](O)(CNC(=O)CN(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c2ccccc2)C1 ZINC000462490195 1067899738 /nfs/dbraw/zinc/89/97/38/1067899738.db2.gz AKDDPDOBZOGVRM-VXKWHMMOSA-N 2 1 433.553 -1.141 20 0 IAADMP CNS(=O)(=O)NC1CCN(C/C=C\CN2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000463213785 1067901440 /nfs/dbraw/zinc/90/14/40/1067901440.db2.gz QBLJEUIWODACOS-ARJAWSKDSA-N 2 1 438.620 -1.421 20 0 IAADMP CNS(=O)(=O)NC1CCN(C/C=C/CN2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000463213790 1067901368 /nfs/dbraw/zinc/90/13/68/1067901368.db2.gz QBLJEUIWODACOS-ONEGZZNKSA-N 2 1 438.620 -1.421 20 0 IAADMP CNC(=O)[C@@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000478035807 1067821324 /nfs/dbraw/zinc/82/13/24/1067821324.db2.gz QCDZVMARDARFNM-HOTGVXAUSA-N 2 1 426.562 -1.715 20 0 IAADMP CNC(=O)[C@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000478035808 1067821749 /nfs/dbraw/zinc/82/17/49/1067821749.db2.gz QCDZVMARDARFNM-HZPDHXFCSA-N 2 1 426.562 -1.715 20 0 IAADMP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C[C@H](C)C(=O)NC)CC1 ZINC000478035809 1067821490 /nfs/dbraw/zinc/82/14/90/1067821490.db2.gz QCDZVMARDARFNM-IYBDPMFKSA-N 2 1 426.562 -1.715 20 0 IAADMP CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C[C@H](C)C(=O)NC)CC1 ZINC000478035809 1067821479 /nfs/dbraw/zinc/82/14/79/1067821479.db2.gz QCDZVMARDARFNM-IYBDPMFKSA-N 2 1 426.562 -1.715 20 0 IAADMP CNC(=O)[C@H](C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000478035809 1067821468 /nfs/dbraw/zinc/82/14/68/1067821468.db2.gz QCDZVMARDARFNM-IYBDPMFKSA-N 2 1 426.562 -1.715 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000481162783 1067845170 /nfs/dbraw/zinc/84/51/70/1067845170.db2.gz CSWNHZFGRDQHSW-HDICACEKSA-N 2 1 448.568 -1.484 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000481162783 1067845160 /nfs/dbraw/zinc/84/51/60/1067845160.db2.gz CSWNHZFGRDQHSW-HDICACEKSA-N 2 1 448.568 -1.484 20 0 IAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000481162783 1067845152 /nfs/dbraw/zinc/84/51/52/1067845152.db2.gz CSWNHZFGRDQHSW-HDICACEKSA-N 2 1 448.568 -1.484 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000481162784 1067845052 /nfs/dbraw/zinc/84/50/52/1067845052.db2.gz CSWNHZFGRDQHSW-QZTJIDSGSA-N 2 1 448.568 -1.484 20 0 IAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000481162785 1067844942 /nfs/dbraw/zinc/84/49/42/1067844942.db2.gz CSWNHZFGRDQHSW-ROUUACIJSA-N 2 1 448.568 -1.484 20 0 IAADMP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481468983 1067847466 /nfs/dbraw/zinc/84/74/66/1067847466.db2.gz AUNKHQCABZKYBX-INIZCTEOSA-N 2 1 441.554 -1.010 20 0 IAADMP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481468983 1067847464 /nfs/dbraw/zinc/84/74/64/1067847464.db2.gz AUNKHQCABZKYBX-INIZCTEOSA-N 2 1 441.554 -1.010 20 0 IAADMP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000481468985 1067847663 /nfs/dbraw/zinc/84/76/63/1067847663.db2.gz AUNKHQCABZKYBX-MRXNPFEDSA-N 2 1 441.554 -1.010 20 0 IAADMP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000481468985 1067847658 /nfs/dbraw/zinc/84/76/58/1067847658.db2.gz AUNKHQCABZKYBX-MRXNPFEDSA-N 2 1 441.554 -1.010 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000535728039 1067636062 /nfs/dbraw/zinc/63/60/62/1067636062.db2.gz SPJUDJGFUCCHSJ-SLFFLAALSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cn1 ZINC000535728039 1067636057 /nfs/dbraw/zinc/63/60/57/1067636057.db2.gz SPJUDJGFUCCHSJ-SLFFLAALSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728039 1067636054 /nfs/dbraw/zinc/63/60/54/1067636054.db2.gz SPJUDJGFUCCHSJ-SLFFLAALSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000535728040 1067636114 /nfs/dbraw/zinc/63/61/14/1067636114.db2.gz SPJUDJGFUCCHSJ-UFYCRDLUSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cn1 ZINC000535728040 1067636111 /nfs/dbraw/zinc/63/61/11/1067636111.db2.gz SPJUDJGFUCCHSJ-UFYCRDLUSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728040 1067636109 /nfs/dbraw/zinc/63/61/09/1067636109.db2.gz SPJUDJGFUCCHSJ-UFYCRDLUSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000535728041 1067636230 /nfs/dbraw/zinc/63/62/30/1067636230.db2.gz SPJUDJGFUCCHSJ-XUVXKRRUSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cn1 ZINC000535728041 1067636226 /nfs/dbraw/zinc/63/62/26/1067636226.db2.gz SPJUDJGFUCCHSJ-XUVXKRRUSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728041 1067636222 /nfs/dbraw/zinc/63/62/22/1067636222.db2.gz SPJUDJGFUCCHSJ-XUVXKRRUSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cn1 ZINC000535728042 1067636180 /nfs/dbraw/zinc/63/61/80/1067636180.db2.gz SPJUDJGFUCCHSJ-ZCNNSNEGSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@H]2C[NH+]3CCN2CCC3)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cn1 ZINC000535728042 1067636175 /nfs/dbraw/zinc/63/61/75/1067636175.db2.gz SPJUDJGFUCCHSJ-ZCNNSNEGSA-N 2 1 444.584 -1.527 20 0 IAADMP Cn1cc([C@H](CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)NC(=O)[C@@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728042 1067636170 /nfs/dbraw/zinc/63/61/70/1067636170.db2.gz SPJUDJGFUCCHSJ-ZCNNSNEGSA-N 2 1 444.584 -1.527 20 0 IAADMP COCCN(CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000547786604 1067621201 /nfs/dbraw/zinc/62/12/01/1067621201.db2.gz XCNFLMNCOXHCKD-PMACEKPBSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000547786604 1067621199 /nfs/dbraw/zinc/62/11/99/1067621199.db2.gz XCNFLMNCOXHCKD-PMACEKPBSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000547786604 1067621195 /nfs/dbraw/zinc/62/11/95/1067621195.db2.gz XCNFLMNCOXHCKD-PMACEKPBSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000547786605 1067621723 /nfs/dbraw/zinc/62/17/23/1067621723.db2.gz XCNFLMNCOXHCKD-UXHICEINSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000547786605 1067621718 /nfs/dbraw/zinc/62/17/18/1067621718.db2.gz XCNFLMNCOXHCKD-UXHICEINSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000547786605 1067621715 /nfs/dbraw/zinc/62/17/15/1067621715.db2.gz XCNFLMNCOXHCKD-UXHICEINSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000547786606 1067621675 /nfs/dbraw/zinc/62/16/75/1067621675.db2.gz XCNFLMNCOXHCKD-VQTJNVASSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000547786606 1067621672 /nfs/dbraw/zinc/62/16/72/1067621672.db2.gz XCNFLMNCOXHCKD-VQTJNVASSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000547786606 1067621669 /nfs/dbraw/zinc/62/16/69/1067621669.db2.gz XCNFLMNCOXHCKD-VQTJNVASSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000547786607 1067621593 /nfs/dbraw/zinc/62/15/93/1067621593.db2.gz XCNFLMNCOXHCKD-WOJBJXKFSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000547786607 1067621592 /nfs/dbraw/zinc/62/15/92/1067621592.db2.gz XCNFLMNCOXHCKD-WOJBJXKFSA-N 2 1 436.601 -1.253 20 0 IAADMP COCCN(CCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000547786607 1067621589 /nfs/dbraw/zinc/62/15/89/1067621589.db2.gz XCNFLMNCOXHCKD-WOJBJXKFSA-N 2 1 436.601 -1.253 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000551930134 1067814475 /nfs/dbraw/zinc/81/44/75/1067814475.db2.gz NTEHSSHVHCBYSK-CEXWTWQISA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000551930134 1067814455 /nfs/dbraw/zinc/81/44/55/1067814455.db2.gz NTEHSSHVHCBYSK-CEXWTWQISA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+]2CCN1CCC2 ZINC000551930134 1067814441 /nfs/dbraw/zinc/81/44/41/1067814441.db2.gz NTEHSSHVHCBYSK-CEXWTWQISA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000551930135 1067814070 /nfs/dbraw/zinc/81/40/70/1067814070.db2.gz NTEHSSHVHCBYSK-GUDVDZBRSA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000551930135 1067814052 /nfs/dbraw/zinc/81/40/52/1067814052.db2.gz NTEHSSHVHCBYSK-GUDVDZBRSA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000551930135 1067814028 /nfs/dbraw/zinc/81/40/28/1067814028.db2.gz NTEHSSHVHCBYSK-GUDVDZBRSA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000551930136 1067813853 /nfs/dbraw/zinc/81/38/53/1067813853.db2.gz NTEHSSHVHCBYSK-QRVBRYPASA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000551930136 1067813839 /nfs/dbraw/zinc/81/38/39/1067813839.db2.gz NTEHSSHVHCBYSK-QRVBRYPASA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000551930136 1067813825 /nfs/dbraw/zinc/81/38/25/1067813825.db2.gz NTEHSSHVHCBYSK-QRVBRYPASA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000551930137 1067814331 /nfs/dbraw/zinc/81/43/31/1067814331.db2.gz NTEHSSHVHCBYSK-QYZOEREBSA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000551930137 1067814317 /nfs/dbraw/zinc/81/43/17/1067814317.db2.gz NTEHSSHVHCBYSK-QYZOEREBSA-N 2 1 436.626 -1.174 20 0 IAADMP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[NH+]2CCN1CCC2 ZINC000551930137 1067814299 /nfs/dbraw/zinc/81/42/99/1067814299.db2.gz NTEHSSHVHCBYSK-QYZOEREBSA-N 2 1 436.626 -1.174 20 0 IAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552899334 1067827092 /nfs/dbraw/zinc/82/70/92/1067827092.db2.gz PERKWVRBUNODHB-KRWDZBQOSA-N 2 1 436.557 -1.543 20 0 IAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552899335 1067826856 /nfs/dbraw/zinc/82/68/56/1067826856.db2.gz PERKWVRBUNODHB-QGZVFWFLSA-N 2 1 436.557 -1.543 20 0 IAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000554125495 1067838140 /nfs/dbraw/zinc/83/81/40/1067838140.db2.gz XZAHWAGCPPIXTH-UHFFFAOYSA-N 2 1 438.573 -1.332 20 0 IAADMP COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255476 1067627268 /nfs/dbraw/zinc/62/72/68/1067627268.db2.gz NIWJPGXUBPBSJD-HOTGVXAUSA-N 2 1 425.530 -1.214 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255997 1068184541 /nfs/dbraw/zinc/18/45/41/1068184541.db2.gz UVWFKSQOGHHKOA-DLBZAZTESA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255997 1068184535 /nfs/dbraw/zinc/18/45/35/1068184535.db2.gz UVWFKSQOGHHKOA-DLBZAZTESA-N 2 1 436.557 -1.545 20 0 IAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255997 1068184531 /nfs/dbraw/zinc/18/45/31/1068184531.db2.gz UVWFKSQOGHHKOA-DLBZAZTESA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256002 1068184804 /nfs/dbraw/zinc/18/48/04/1068184804.db2.gz UVWFKSQOGHHKOA-IAGOWNOFSA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256002 1068184798 /nfs/dbraw/zinc/18/47/98/1068184798.db2.gz UVWFKSQOGHHKOA-IAGOWNOFSA-N 2 1 436.557 -1.545 20 0 IAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256002 1068184796 /nfs/dbraw/zinc/18/47/96/1068184796.db2.gz UVWFKSQOGHHKOA-IAGOWNOFSA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557256005 1068184642 /nfs/dbraw/zinc/18/46/42/1068184642.db2.gz UVWFKSQOGHHKOA-IRXDYDNUSA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557256005 1068184636 /nfs/dbraw/zinc/18/46/36/1068184636.db2.gz UVWFKSQOGHHKOA-IRXDYDNUSA-N 2 1 436.557 -1.545 20 0 IAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557256005 1068184631 /nfs/dbraw/zinc/18/46/31/1068184631.db2.gz UVWFKSQOGHHKOA-IRXDYDNUSA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256008 1068184784 /nfs/dbraw/zinc/18/47/84/1068184784.db2.gz UVWFKSQOGHHKOA-SJORKVTESA-N 2 1 436.557 -1.545 20 0 IAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256008 1068184780 /nfs/dbraw/zinc/18/47/80/1068184780.db2.gz UVWFKSQOGHHKOA-SJORKVTESA-N 2 1 436.557 -1.545 20 0 IAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256008 1068184777 /nfs/dbraw/zinc/18/47/77/1068184777.db2.gz UVWFKSQOGHHKOA-SJORKVTESA-N 2 1 436.557 -1.545 20 0 IAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000558005848 1068192675 /nfs/dbraw/zinc/19/26/75/1068192675.db2.gz MZKBPJHANJIHFX-UHFFFAOYSA-N 2 1 438.573 -1.332 20 0 IAADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000559770572 1068201518 /nfs/dbraw/zinc/20/15/18/1068201518.db2.gz GSWDVJMIKVZXGV-UHFFFAOYSA-N 2 1 446.552 -1.126 20 0 IAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000560902750 1068207477 /nfs/dbraw/zinc/20/74/77/1068207477.db2.gz UKBDNKMSXCTTLB-KRWDZBQOSA-N 2 1 438.573 -1.297 20 0 IAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000560903198 1068207430 /nfs/dbraw/zinc/20/74/30/1068207430.db2.gz UKBDNKMSXCTTLB-QGZVFWFLSA-N 2 1 438.573 -1.297 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000561046338 1068209403 /nfs/dbraw/zinc/20/94/03/1068209403.db2.gz LYJQSCQFFRLEKR-KRWDZBQOSA-N 2 1 438.573 -1.286 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000561046338 1068209400 /nfs/dbraw/zinc/20/94/00/1068209400.db2.gz LYJQSCQFFRLEKR-KRWDZBQOSA-N 2 1 438.573 -1.286 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000561046339 1068209248 /nfs/dbraw/zinc/20/92/48/1068209248.db2.gz LYJQSCQFFRLEKR-QGZVFWFLSA-N 2 1 438.573 -1.286 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000561046339 1068209240 /nfs/dbraw/zinc/20/92/40/1068209240.db2.gz LYJQSCQFFRLEKR-QGZVFWFLSA-N 2 1 438.573 -1.286 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000561768640 1068212901 /nfs/dbraw/zinc/21/29/01/1068212901.db2.gz UCEMKYZQMJTXPP-UHFFFAOYSA-N 2 1 436.557 -1.578 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000584536313 1067665743 /nfs/dbraw/zinc/66/57/43/1067665743.db2.gz ZAUICNWVQLHXRJ-KRWDZBQOSA-N 2 1 436.557 -1.580 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000584536313 1067665734 /nfs/dbraw/zinc/66/57/34/1067665734.db2.gz ZAUICNWVQLHXRJ-KRWDZBQOSA-N 2 1 436.557 -1.580 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000584536314 1067665822 /nfs/dbraw/zinc/66/58/22/1067665822.db2.gz ZAUICNWVQLHXRJ-QGZVFWFLSA-N 2 1 436.557 -1.580 20 0 IAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000584536314 1067665817 /nfs/dbraw/zinc/66/58/17/1067665817.db2.gz ZAUICNWVQLHXRJ-QGZVFWFLSA-N 2 1 436.557 -1.580 20 0 IAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000676097266 1067980292 /nfs/dbraw/zinc/98/02/92/1067980292.db2.gz YHMQKNHSOXTETA-GOSISDBHSA-N 2 1 448.572 -1.262 20 0 IAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000676097267 1067980224 /nfs/dbraw/zinc/98/02/24/1067980224.db2.gz YHMQKNHSOXTETA-SFHVURJKSA-N 2 1 448.572 -1.262 20 0 IAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000742663731 1068005292 /nfs/dbraw/zinc/00/52/92/1068005292.db2.gz HNJGIEAEVOVDGP-KBPBESRZSA-N 2 1 440.486 -1.019 20 0 IAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000742663736 1068005368 /nfs/dbraw/zinc/00/53/68/1068005368.db2.gz HNJGIEAEVOVDGP-ZIAGYGMSSA-N 2 1 440.486 -1.019 20 0 IAADMP O=C1NC[C@@H]2C[N@@H+](CCCCCCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912014 1068010251 /nfs/dbraw/zinc/01/02/51/1068010251.db2.gz DHYMXODXJUACQE-HDICACEKSA-N 2 1 448.568 -1.388 20 0 IAADMP O=C1NC[C@@H]2C[N@H+](CCCCCCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912014 1068010240 /nfs/dbraw/zinc/01/02/40/1068010240.db2.gz DHYMXODXJUACQE-HDICACEKSA-N 2 1 448.568 -1.388 20 0 IAADMP O=C1NC[C@@H]2C[NH+](CCCCCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912014 1068010232 /nfs/dbraw/zinc/01/02/32/1068010232.db2.gz DHYMXODXJUACQE-HDICACEKSA-N 2 1 448.568 -1.388 20 0 IAADMP O=C1NC[C@@H]2C[NH+](CCCCCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000766912021 1068010111 /nfs/dbraw/zinc/01/01/11/1068010111.db2.gz DHYMXODXJUACQE-QZTJIDSGSA-N 2 1 448.568 -1.388 20 0 IAADMP O=C1NC[C@H]2C[NH+](CCCCCCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912023 1068010451 /nfs/dbraw/zinc/01/04/51/1068010451.db2.gz DHYMXODXJUACQE-ROUUACIJSA-N 2 1 448.568 -1.388 20 0 IAADMP O=C(C[NH+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001116841530 1068312765 /nfs/dbraw/zinc/31/27/65/1068312765.db2.gz KLSDNPNGYZAIAN-FGZHOGPDSA-N 2 1 446.552 -1.919 20 0 IAADMP O=C(C[NH+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001116841531 1068312429 /nfs/dbraw/zinc/31/24/29/1068312429.db2.gz KLSDNPNGYZAIAN-SZPZYZBQSA-N 2 1 446.552 -1.919 20 0 IAADMP O=C(C[NH+]1CC[C@@]2(CNC(=O)C2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001116841531 1068312409 /nfs/dbraw/zinc/31/24/09/1068312409.db2.gz KLSDNPNGYZAIAN-SZPZYZBQSA-N 2 1 446.552 -1.919 20 0 IAADMP O=C(C[NH+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC001116841531 1068312390 /nfs/dbraw/zinc/31/23/90/1068312390.db2.gz KLSDNPNGYZAIAN-SZPZYZBQSA-N 2 1 446.552 -1.919 20 0 IAADMP O=C(C[NH+]1CC[C@]2(CNC(=O)C2)C1)N1CCN(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC001116841532 1068312551 /nfs/dbraw/zinc/31/25/51/1068312551.db2.gz KLSDNPNGYZAIAN-VXKWHMMOSA-N 2 1 446.552 -1.919 20 0 IAADMP C[NH+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001116911881 1068313400 /nfs/dbraw/zinc/31/34/00/1068313400.db2.gz KMQXZOWYXJZDQK-GASCZTMLSA-N 2 1 428.577 -2.652 20 0 IAADMP C[NH+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001116911881 1068313383 /nfs/dbraw/zinc/31/33/83/1068313383.db2.gz KMQXZOWYXJZDQK-GASCZTMLSA-N 2 1 428.577 -2.652 20 0 IAADMP C[NH+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC001116911881 1068313370 /nfs/dbraw/zinc/31/33/70/1068313370.db2.gz KMQXZOWYXJZDQK-GASCZTMLSA-N 2 1 428.577 -2.652 20 0 IAADMP C[NH+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC001116911896 1068313330 /nfs/dbraw/zinc/31/33/30/1068313330.db2.gz KMQXZOWYXJZDQK-GJZGRUSLSA-N 2 1 428.577 -2.652 20 0 IAADMP C[NH+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC001116911898 1068313445 /nfs/dbraw/zinc/31/34/45/1068313445.db2.gz KMQXZOWYXJZDQK-HUUCEWRRSA-N 2 1 428.577 -2.652 20 0 IAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421832 1068332989 /nfs/dbraw/zinc/33/29/89/1068332989.db2.gz BHONEWKOVPJSPM-AHBSSGKESA-N 2 1 435.521 -1.332 20 0 IAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421832 1068332977 /nfs/dbraw/zinc/33/29/77/1068332977.db2.gz BHONEWKOVPJSPM-AHBSSGKESA-N 2 1 435.521 -1.332 20 0 IAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421836 1068332953 /nfs/dbraw/zinc/33/29/53/1068332953.db2.gz BHONEWKOVPJSPM-ANPILNASSA-N 2 1 435.521 -1.332 20 0 IAADMP C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157421836 1068332941 /nfs/dbraw/zinc/33/29/41/1068332941.db2.gz BHONEWKOVPJSPM-ANPILNASSA-N 2 1 435.521 -1.332 20 0 IAADMP C[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001157615325 1068333377 /nfs/dbraw/zinc/33/33/77/1068333377.db2.gz HNIVXSQSASHIRC-CVEARBPZSA-N 2 1 432.525 -1.585 20 0 IAADMP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)c2)cc1 ZINC001158093880 1068334934 /nfs/dbraw/zinc/33/49/34/1068334934.db2.gz XXYDLFFEVOXESQ-XLIONFOSSA-N 2 1 446.533 -1.011 20 0 IAADMP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)c2)cc1 ZINC001158093881 1068335120 /nfs/dbraw/zinc/33/51/20/1068335120.db2.gz XXYDLFFEVOXESQ-YLJYHZDGSA-N 2 1 446.533 -1.011 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158567860 1068337613 /nfs/dbraw/zinc/33/76/13/1068337613.db2.gz LEKBETWUUABONS-MSOLQXFVSA-N 2 1 444.536 -1.583 20 0 IAADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158855804 1068340206 /nfs/dbraw/zinc/34/02/06/1068340206.db2.gz IRWGZMAJGSBAMG-UHFFFAOYSA-N 2 1 436.517 -2.558 20 0 IAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001158890850 1068340938 /nfs/dbraw/zinc/34/09/38/1068340938.db2.gz OQNDBEQGPLZZCS-UHFFFAOYSA-N 2 1 439.517 -3.503 20 0 IAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001158890997 1068340754 /nfs/dbraw/zinc/34/07/54/1068340754.db2.gz SCSLNQAYTUXFLA-HOTGVXAUSA-N 2 1 436.557 -1.356 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159135884 1068346170 /nfs/dbraw/zinc/34/61/70/1068346170.db2.gz GXCNNCCUNCTZKY-JKSUJKDBSA-N 2 1 431.497 -2.436 20 0 IAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159167198 1068346109 /nfs/dbraw/zinc/34/61/09/1068346109.db2.gz WITYKVYDICCPHM-ITWBUVANSA-N 2 1 446.556 -1.313 20 0 IAADMP CO[C@@H]1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001159316475 1068350236 /nfs/dbraw/zinc/35/02/36/1068350236.db2.gz IGCYOLNVGZRUJV-OGCZYDBJSA-N 2 1 432.525 -1.163 20 0 IAADMP N[C@@H](CSCC[NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393134 1068350132 /nfs/dbraw/zinc/35/01/32/1068350132.db2.gz AANFCEWMZNEZBS-SOUVJXGZSA-N 2 1 440.595 -1.163 20 0 IAADMP O=C(c1nnn2c1C[NH2+]CC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393349 1068350208 /nfs/dbraw/zinc/35/02/08/1068350208.db2.gz CGXNVLMXURDNQP-DZGCQCFKSA-N 2 1 444.521 -1.439 20 0 IAADMP O=C([C@H]1C[NH2+]CC12CNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393365 1068350736 /nfs/dbraw/zinc/35/07/36/1068350736.db2.gz DAJNYNTVCDKLOW-ARFHVFGLSA-N 2 1 432.550 -1.373 20 0 IAADMP O=C([C@@H]1C[NH2+]CC12CNC2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393366 1068350851 /nfs/dbraw/zinc/35/08/51/1068350851.db2.gz DAJNYNTVCDKLOW-HRCADAONSA-N 2 1 432.550 -1.373 20 0 IAADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CCC2 ZINC001159491851 1068356984 /nfs/dbraw/zinc/35/69/84/1068356984.db2.gz FLJRBZAUKVHGBD-ZFWWWQNUSA-N 2 1 435.529 -1.477 20 0 IAADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CCC2 ZINC001159493815 1068357435 /nfs/dbraw/zinc/35/74/35/1068357435.db2.gz RBGDFLUODMLEKY-GOEBONIOSA-N 2 1 449.556 -1.087 20 0 IAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[C@@H]2C1 ZINC001159634770 1068360737 /nfs/dbraw/zinc/36/07/37/1068360737.db2.gz CZRRMGPJFOAUQX-HUUCEWRRSA-N 2 1 442.517 -3.511 20 0 IAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC[C@@H]2C1 ZINC001159637063 1068361189 /nfs/dbraw/zinc/36/11/89/1068361189.db2.gz WEGTXYXANAWKIJ-XWTMOSNGSA-N 2 1 439.557 -1.364 20 0 IAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C(N)=O ZINC001159666296 1068362090 /nfs/dbraw/zinc/36/20/90/1068362090.db2.gz QFLNCWKCULPVQP-DZJNRPSUSA-N 2 1 432.525 -1.019 20 0 IAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C(N)=O ZINC001159666297 1068361772 /nfs/dbraw/zinc/36/17/72/1068361772.db2.gz QFLNCWKCULPVQP-DZOHQFGASA-N 2 1 432.525 -1.019 20 0 IAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C(N)=O ZINC001159666298 1068362112 /nfs/dbraw/zinc/36/21/12/1068362112.db2.gz QFLNCWKCULPVQP-LEUOFYLZSA-N 2 1 432.525 -1.019 20 0 IAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C(N)=O ZINC001159666299 1068361970 /nfs/dbraw/zinc/36/19/70/1068361970.db2.gz QFLNCWKCULPVQP-XOYOTBSWSA-N 2 1 432.525 -1.019 20 0 IAADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)O2)CC1 ZINC001159758686 1068363685 /nfs/dbraw/zinc/36/36/85/1068363685.db2.gz QGHIEHYJROWEHH-IEBWSBKVSA-N 2 1 431.603 -1.006 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3C(=O)N3CC[NH2+]CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088174 1068367299 /nfs/dbraw/zinc/36/72/99/1068367299.db2.gz QAMJCXMFSWOZRP-SCFUHWHPSA-N 2 1 431.453 -2.161 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(OCC4CC[NH2+]CC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093013 1068366853 /nfs/dbraw/zinc/36/68/53/1068366853.db2.gz QBXCQUQHYKZRMY-BDQAWRDZSA-N 2 1 433.469 -1.433 20 0 IAADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160380638 1068371222 /nfs/dbraw/zinc/37/12/22/1068371222.db2.gz HZKAVSLYIJYUPE-HNNXBMFYSA-N 2 1 435.529 -1.322 20 0 IAADMP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160380640 1068371578 /nfs/dbraw/zinc/37/15/78/1068371578.db2.gz HZKAVSLYIJYUPE-OAHLLOKOSA-N 2 1 435.529 -1.322 20 0 IAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(=O)CF ZINC001160703271 1068377597 /nfs/dbraw/zinc/37/75/97/1068377597.db2.gz AOMOTRGTAUJORC-GLRLOKQVSA-N 2 1 427.521 -1.092 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160713959 1068377438 /nfs/dbraw/zinc/37/74/38/1068377438.db2.gz LHBLWYMAUVGAOM-UHFFFAOYSA-N 2 1 444.536 -1.657 20 0 IAADMP C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160958068 1068380783 /nfs/dbraw/zinc/38/07/83/1068380783.db2.gz XCXLRJSKANHOSH-WMZOPIPTSA-N 2 1 446.552 -1.337 20 0 IAADMP C[NH+]1CCN(CC(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC1 ZINC001161119905 1068382322 /nfs/dbraw/zinc/38/23/22/1068382322.db2.gz TYHBMQMECXKHIF-IRXDYDNUSA-N 2 1 428.528 -1.024 20 0 IAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123671 1068382788 /nfs/dbraw/zinc/38/27/88/1068382788.db2.gz RLCZLDMTGGAFBC-ULQDDVLXSA-N 2 1 428.528 -1.026 20 0 IAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123675 1068382841 /nfs/dbraw/zinc/38/28/41/1068382841.db2.gz RLCZLDMTGGAFBC-YESZJQIVSA-N 2 1 428.528 -1.026 20 0 IAADMP O=C(c1nnn2c1C[NH2+]CC2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161125388 1068383695 /nfs/dbraw/zinc/38/36/95/1068383695.db2.gz ZRFZUKHBIJZSGN-KBPBESRZSA-N 2 1 438.483 -1.263 20 0 IAADMP CC(=O)N[C@@H](CO)C(=O)NCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197820 1068384673 /nfs/dbraw/zinc/38/46/73/1068384673.db2.gz FTRJSWLQNHFWOC-SFHVURJKSA-N 2 1 427.546 -1.850 20 0 IAADMP C[NH+]1CCC(COc2cnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2)CC1 ZINC001171261830 1068055470 /nfs/dbraw/zinc/05/54/70/1068055470.db2.gz AVOGAGZERITGBX-VDHUWJSZSA-N 2 1 447.496 -1.090 20 0 IAADMP Cc1cnc(N2CCC(C[NH3+])CC2)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261867 1068055701 /nfs/dbraw/zinc/05/57/01/1068055701.db2.gz CNHYGAKXAABPPQ-GFOCRRMGSA-N 2 1 446.512 -1.327 20 0 IAADMP C[NH+](C)CCCNC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262434 1068056008 /nfs/dbraw/zinc/05/60/08/1068056008.db2.gz MFSASAQBJXNDBP-NVQRDWNXSA-N 2 1 447.496 -1.525 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(OCC[NH+]4CCCC4)nn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263277 1068056035 /nfs/dbraw/zinc/05/60/35/1068056035.db2.gz XVHPIDORFYICNH-BDQAWRDZSA-N 2 1 433.469 -1.336 20 0 IAADMP Cc1cc(OC2CC[NH2+]CC2)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263364 1068055975 /nfs/dbraw/zinc/05/59/75/1068055975.db2.gz ZJRZJZREJOXMGN-BASLNEPJSA-N 2 1 433.469 -1.372 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(OCC[NH+]4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263389 1068056110 /nfs/dbraw/zinc/05/61/10/1068056110.db2.gz ZOIMYWNARLTWQQ-BDQAWRDZSA-N 2 1 433.469 -1.336 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c([C@@H]5CCC[NH2+]5)nnn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263912 1068056730 /nfs/dbraw/zinc/05/67/30/1068056730.db2.gz WQGKTMXACABCHO-KVICHTRESA-N 2 1 428.453 -1.134 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c([C@H]5CCC[NH2+]5)nnn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263915 1068056760 /nfs/dbraw/zinc/05/67/60/1068056760.db2.gz WQGKTMXACABCHO-RUUWIURISA-N 2 1 428.453 -1.134 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(C(=O)N4CC[NH2+]CC4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266371 1068056790 /nfs/dbraw/zinc/05/67/90/1068056790.db2.gz GZADOCSUECHBLD-KLICCBINSA-N 2 1 430.465 -1.390 20 0 IAADMP COC(=O)[C@@H](C[NH3+])Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171266788 1068057330 /nfs/dbraw/zinc/05/73/30/1068057330.db2.gz MKBRETFYKRXQIV-OPTNGKCXSA-N 2 1 433.465 -1.145 20 0 IAADMP COC(=O)[C@H](C[NH3+])Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171266789 1068057569 /nfs/dbraw/zinc/05/75/69/1068057569.db2.gz MKBRETFYKRXQIV-SEYFSXTGSA-N 2 1 433.465 -1.145 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc4nc([C@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266841 1068057530 /nfs/dbraw/zinc/05/75/30/1068057530.db2.gz ORWZNJWRRYIFPB-GTBHSOEESA-N 2 1 443.464 -1.292 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccc4nc([C@@H]5C[NH2+]CCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266842 1068057357 /nfs/dbraw/zinc/05/73/57/1068057357.db2.gz ORWZNJWRRYIFPB-KIVPVIKRSA-N 2 1 443.464 -1.292 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4nc([C@@H]5CC[NH2+]C5)nn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171272376 1068057648 /nfs/dbraw/zinc/05/76/48/1068057648.db2.gz VVWGGGYOKGWKAA-LOBXECARSA-N 2 1 428.453 -1.481 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4nc([C@H]5CC[NH2+]C5)nn4c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171272378 1068057677 /nfs/dbraw/zinc/05/76/77/1068057677.db2.gz VVWGGGYOKGWKAA-XJBZJSHESA-N 2 1 428.453 -1.481 20 0 IAADMP CC[N@H+]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173357343 1068063222 /nfs/dbraw/zinc/06/32/22/1068063222.db2.gz OTJBTWBVRGJAED-IKGGRYGDSA-N 3 1 436.561 -1.765 20 0 IAADMP CC[N@H+]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001173357354 1068062969 /nfs/dbraw/zinc/06/29/69/1068062969.db2.gz OTJBTWBVRGJAED-ULQDDVLXSA-N 3 1 436.561 -1.765 20 0 IAADMP CCCCC[N@@H+](C)CCC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001181866815 1068079250 /nfs/dbraw/zinc/07/92/50/1068079250.db2.gz GCEOPWLOFUAGRQ-VBVJRUAFSA-N 2 1 437.501 -1.095 20 0 IAADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182559462 1068081988 /nfs/dbraw/zinc/08/19/88/1068081988.db2.gz NHTJPVWZKAVPTJ-YJDSPBOISA-N 2 1 433.469 -1.732 20 0 IAADMP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182559462 1068081980 /nfs/dbraw/zinc/08/19/80/1068081980.db2.gz NHTJPVWZKAVPTJ-YJDSPBOISA-N 2 1 433.469 -1.732 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217722104 1068398906 /nfs/dbraw/zinc/39/89/06/1068398906.db2.gz UEALSVWRCKTOPY-HNNXBMFYSA-N 2 1 429.481 -1.134 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001217722105 1068398670 /nfs/dbraw/zinc/39/86/70/1068398670.db2.gz UEALSVWRCKTOPY-OAHLLOKOSA-N 2 1 429.481 -1.134 20 0 IAADMP C[NH+]1CCN(c2cc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)ncn2)CC1 ZINC001218573107 1068400780 /nfs/dbraw/zinc/40/07/80/1068400780.db2.gz SFQWPVSLYLMCPR-IRXDYDNUSA-N 2 1 443.508 -1.080 20 0 IAADMP C[NH+]1CCN(c2ncc(NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)cn2)CC1 ZINC001218579332 1068400593 /nfs/dbraw/zinc/40/05/93/1068400593.db2.gz CBDWINGXIRLUFS-ROUUACIJSA-N 2 1 443.508 -1.080 20 0 IAADMP C[N@H+]1C[C@@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)OC2(CC[NH2+]CC2)C1 ZINC001218770440 1068405359 /nfs/dbraw/zinc/40/53/59/1068405359.db2.gz GQMQGGLNNGBPKC-INIZCTEOSA-N 2 1 433.513 -1.088 20 0 IAADMP C[N@H+]1C[C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)OC2(CC[NH2+]CC2)C1 ZINC001218770441 1068405469 /nfs/dbraw/zinc/40/54/69/1068405469.db2.gz GQMQGGLNNGBPKC-MRXNPFEDSA-N 2 1 433.513 -1.088 20 0 IAADMP Nc1ncn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778774 1068406862 /nfs/dbraw/zinc/40/68/62/1068406862.db2.gz JVQLBGPOYRAJAN-BNOWGMLFSA-N 2 1 426.953 -1.620 20 0 IAADMP Nc1ncn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778779 1068406767 /nfs/dbraw/zinc/40/67/67/1068406767.db2.gz JVQLBGPOYRAJAN-IACUBPJLSA-N 2 1 426.953 -1.620 20 0 IAADMP Nc1ncn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778781 1068406693 /nfs/dbraw/zinc/40/66/93/1068406693.db2.gz JVQLBGPOYRAJAN-MRVWCRGKSA-N 2 1 426.953 -1.620 20 0 IAADMP Nc1ncn(C(=O)[C@H](N)CN2CCC([NH3+])CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778783 1068406819 /nfs/dbraw/zinc/40/68/19/1068406819.db2.gz JVQLBGPOYRAJAN-YUTCNCBUSA-N 2 1 426.953 -1.620 20 0 IAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001218989195 1068410826 /nfs/dbraw/zinc/41/08/26/1068410826.db2.gz QRDHXLVYFBPBJH-YOEHRIQHSA-N 2 1 447.540 -1.457 20 0 IAADMP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676242 1068413031 /nfs/dbraw/zinc/41/30/31/1068413031.db2.gz CKHQLDKPGTWBGW-HNNXBMFYSA-N 2 1 426.543 -1.340 20 0 IAADMP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678103 1068412824 /nfs/dbraw/zinc/41/28/24/1068412824.db2.gz CMWQXCAPNXSQIU-MRXNPFEDSA-N 2 1 443.595 -1.286 20 0 IAADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678557 1068412867 /nfs/dbraw/zinc/41/28/67/1068412867.db2.gz SOZJUFMUYRWBRE-KKUMJFAQSA-N 2 1 437.632 -1.051 20 0 IAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219678600 1068413780 /nfs/dbraw/zinc/41/37/80/1068413780.db2.gz VSIURVWBLHFVFO-ROUUACIJSA-N 2 1 437.566 -1.183 20 0 IAADMP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678620 1068413652 /nfs/dbraw/zinc/41/36/52/1068413652.db2.gz WVCJJAOIDXWHPN-KRWDZBQOSA-N 2 1 436.538 -1.495 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941234 1068416273 /nfs/dbraw/zinc/41/62/73/1068416273.db2.gz RVUREIWSSQXKLF-KRWDZBQOSA-N 2 1 432.525 -1.678 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001219941235 1068416065 /nfs/dbraw/zinc/41/60/65/1068416065.db2.gz RVUREIWSSQXKLF-QGZVFWFLSA-N 2 1 432.525 -1.678 20 0 IAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220491604 1068421221 /nfs/dbraw/zinc/42/12/21/1068421221.db2.gz AEMJGKCETWCCAU-NNZMDNLPSA-N 2 1 444.536 -1.395 20 0 IAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H](N)CSCC[NH3+])c2nonc21 ZINC001220748366 1068424542 /nfs/dbraw/zinc/42/45/42/1068424542.db2.gz IEATULXGOVHNFU-JTQLQIEISA-N 2 1 431.544 -1.216 20 0 IAADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874151 1068425304 /nfs/dbraw/zinc/42/53/04/1068425304.db2.gz AUCHKSNQBGYAKK-PXNSSMCTSA-N 2 1 446.552 -1.639 20 0 IAADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CC[NH2+]CC1=O)C(=O)CF ZINC001220875195 1068425923 /nfs/dbraw/zinc/42/59/23/1068425923.db2.gz WXKXDDOHRNUQBA-DCGLDWPTSA-N 2 1 444.508 -2.564 20 0 IAADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001220928607 1068426113 /nfs/dbraw/zinc/42/61/13/1068426113.db2.gz WRYLIYLTNMPFPB-HNNXBMFYSA-N 2 1 434.497 -2.307 20 0 IAADMP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966730 1068426704 /nfs/dbraw/zinc/42/67/04/1068426704.db2.gz DFSMNBDBOKIEPA-CAOSSQGBSA-N 2 1 437.497 -1.525 20 0 IAADMP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966731 1068426792 /nfs/dbraw/zinc/42/67/92/1068426792.db2.gz DFSMNBDBOKIEPA-ZJIFWQFVSA-N 2 1 437.497 -1.525 20 0 IAADMP COc1ccccc1Cn1cncc1CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN ZINC001220969010 1068426810 /nfs/dbraw/zinc/42/68/10/1068426810.db2.gz LBSOIZWJKVUYFK-UHFFFAOYSA-N 2 1 445.480 -2.137 20 0 IAADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221010678 1068427610 /nfs/dbraw/zinc/42/76/10/1068427610.db2.gz OBQXKHQRJZUQRF-KRWDZBQOSA-N 2 1 446.552 -1.289 20 0 IAADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221010679 1068427491 /nfs/dbraw/zinc/42/74/91/1068427491.db2.gz OBQXKHQRJZUQRF-QGZVFWFLSA-N 2 1 446.552 -1.289 20 0 IAADMP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC[NH2+]1)C(N)=O ZINC001221351050 1068431693 /nfs/dbraw/zinc/43/16/93/1068431693.db2.gz CRYDENWBNFXYCO-VGWMRTNUSA-N 2 1 440.545 -1.837 20 0 IAADMP Cn1cc(C[NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)c(=O)n(C)c1=O ZINC001236266877 1068437907 /nfs/dbraw/zinc/43/79/07/1068437907.db2.gz MBSARHDWDVPEHI-HOTGVXAUSA-N 2 1 440.495 -1.200 20 0 IAADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037524 1068442069 /nfs/dbraw/zinc/44/20/69/1068442069.db2.gz BSUXKSWKFABOIN-AZUAARDMSA-N 2 1 434.541 -1.075 20 0 IAADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037525 1068441924 /nfs/dbraw/zinc/44/19/24/1068441924.db2.gz BSUXKSWKFABOIN-ICSRJNTNSA-N 2 1 434.541 -1.075 20 0 IAADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037526 1068441775 /nfs/dbraw/zinc/44/17/75/1068441775.db2.gz BSUXKSWKFABOIN-QUCCMNQESA-N 2 1 434.541 -1.075 20 0 IAADMP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037527 1068441944 /nfs/dbraw/zinc/44/19/44/1068441944.db2.gz BSUXKSWKFABOIN-UYAOXDASSA-N 2 1 434.541 -1.075 20 0 IAADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@]3(O)CC[NH2+]C3)CC[C@@H]12 ZINC001246038880 1068441716 /nfs/dbraw/zinc/44/17/16/1068441716.db2.gz TWPVYKTZKLPEPE-NEWSRXKRSA-N 2 1 430.571 -1.314 20 0 IAADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@]3(O)CC[NH2+]C3)CC[C@@H]12 ZINC001246038880 1068441712 /nfs/dbraw/zinc/44/17/12/1068441712.db2.gz TWPVYKTZKLPEPE-NEWSRXKRSA-N 2 1 430.571 -1.314 20 0 IAADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C[C@@]3(O)CC[NH2+]C3)CC[C@@H]12 ZINC001246038881 1068442032 /nfs/dbraw/zinc/44/20/32/1068442032.db2.gz TWPVYKTZKLPEPE-QRQLOZEOSA-N 2 1 430.571 -1.314 20 0 IAADMP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C[C@@]3(O)CC[NH2+]C3)CC[C@@H]12 ZINC001246038881 1068442029 /nfs/dbraw/zinc/44/20/29/1068442029.db2.gz TWPVYKTZKLPEPE-QRQLOZEOSA-N 2 1 430.571 -1.314 20 0 IAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041244 1068441830 /nfs/dbraw/zinc/44/18/30/1068441830.db2.gz SSNWCHFDKBQPDP-BRSBDYLESA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041244 1068441823 /nfs/dbraw/zinc/44/18/23/1068441823.db2.gz SSNWCHFDKBQPDP-BRSBDYLESA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041245 1068442856 /nfs/dbraw/zinc/44/28/56/1068442856.db2.gz SSNWCHFDKBQPDP-BSDSXHPESA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041245 1068442852 /nfs/dbraw/zinc/44/28/52/1068442852.db2.gz SSNWCHFDKBQPDP-BSDSXHPESA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041246 1068442792 /nfs/dbraw/zinc/44/27/92/1068442792.db2.gz SSNWCHFDKBQPDP-WNRNVDISSA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041246 1068442789 /nfs/dbraw/zinc/44/27/89/1068442789.db2.gz SSNWCHFDKBQPDP-WNRNVDISSA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041247 1068442677 /nfs/dbraw/zinc/44/26/77/1068442677.db2.gz SSNWCHFDKBQPDP-XMTFNYHQSA-N 2 1 445.582 -1.554 20 0 IAADMP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]21)N1CCOCC1 ZINC001246041247 1068442673 /nfs/dbraw/zinc/44/26/73/1068442673.db2.gz SSNWCHFDKBQPDP-XMTFNYHQSA-N 2 1 445.582 -1.554 20 0 IAADMP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001246044356 1068442815 /nfs/dbraw/zinc/44/28/15/1068442815.db2.gz MCIMJDVUEVRUOX-BRWVUGGUSA-N 2 1 432.587 -1.334 20 0 IAADMP CN(C)C(=O)CN1C[C@H]2CC[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC[C@H]2S1(=O)=O ZINC001246044357 1068442663 /nfs/dbraw/zinc/44/26/63/1068442663.db2.gz MCIMJDVUEVRUOX-IXDOHACOSA-N 2 1 432.587 -1.334 20 0 IAADMP O=C([C@@H]1C[C@H](N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246049798 1068442741 /nfs/dbraw/zinc/44/27/41/1068442741.db2.gz BXCJEMMHUIBXQL-BZSNNMDCSA-N 2 1 431.528 -1.105 20 0 IAADMP O=C([C@@H]1C[C@H](N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001246049799 1068442876 /nfs/dbraw/zinc/44/28/76/1068442876.db2.gz BXCJEMMHUIBXQL-KSZLIROESA-N 2 1 431.528 -1.105 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(N[C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246317609 1068443422 /nfs/dbraw/zinc/44/34/22/1068443422.db2.gz WMDFRVFFDFWQCG-OCBMSJAUSA-N 2 1 426.499 -2.669 20 0 IAADMP [NH3+][C@H]1[C@H](n2ccc(N[C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001246317610 1068443549 /nfs/dbraw/zinc/44/35/49/1068443549.db2.gz WMDFRVFFDFWQCG-USNUUERLSA-N 2 1 426.499 -2.669 20 0 IAADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[N@@H+](C)C1)c(N)nc2=O ZINC001255416254 1068463060 /nfs/dbraw/zinc/46/30/60/1068463060.db2.gz XINWHRSGLOWKFV-HZSPNIEDSA-N 2 1 437.501 -1.087 20 0 IAADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[N@@H+](C)C1)c(N)nc2=O ZINC001255416255 1068462632 /nfs/dbraw/zinc/46/26/32/1068462632.db2.gz XINWHRSGLOWKFV-IHRRRGAJSA-N 2 1 437.501 -1.087 20 0 IAADMP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[N@@H+](C)C1)c(N)nc2=O ZINC001255416256 1068462800 /nfs/dbraw/zinc/46/28/00/1068462800.db2.gz XINWHRSGLOWKFV-MELADBBJSA-N 2 1 437.501 -1.087 20 0 IAADMP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[N@@H+](C)C1)c(N)nc2=O ZINC001255416257 1068463119 /nfs/dbraw/zinc/46/31/19/1068463119.db2.gz XINWHRSGLOWKFV-RDBSUJKOSA-N 2 1 437.501 -1.087 20 0 IAADMP C[N@H+]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255479929 1068462938 /nfs/dbraw/zinc/46/29/38/1068462938.db2.gz OHRABNJBXJAOFD-IKGGRYGDSA-N 3 1 436.561 -1.765 20 0 IAADMP C[N@H+]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001255479930 1068462876 /nfs/dbraw/zinc/46/28/76/1068462876.db2.gz OHRABNJBXJAOFD-ULQDDVLXSA-N 3 1 436.561 -1.765 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288869427 1068484837 /nfs/dbraw/zinc/48/48/37/1068484837.db2.gz HRSWCZMHIKIVDA-DAYGRLMNSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288869427 1068484835 /nfs/dbraw/zinc/48/48/35/1068484835.db2.gz HRSWCZMHIKIVDA-DAYGRLMNSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288869427 1068484828 /nfs/dbraw/zinc/48/48/28/1068484828.db2.gz HRSWCZMHIKIVDA-DAYGRLMNSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288869427 1068484820 /nfs/dbraw/zinc/48/48/20/1068484820.db2.gz HRSWCZMHIKIVDA-DAYGRLMNSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288869437 1068484928 /nfs/dbraw/zinc/48/49/28/1068484928.db2.gz HRSWCZMHIKIVDA-HDMKZQKVSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288869437 1068484924 /nfs/dbraw/zinc/48/49/24/1068484924.db2.gz HRSWCZMHIKIVDA-HDMKZQKVSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288869437 1068484918 /nfs/dbraw/zinc/48/49/18/1068484918.db2.gz HRSWCZMHIKIVDA-HDMKZQKVSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288869437 1068484912 /nfs/dbraw/zinc/48/49/12/1068484912.db2.gz HRSWCZMHIKIVDA-HDMKZQKVSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288869440 1068484891 /nfs/dbraw/zinc/48/48/91/1068484891.db2.gz HRSWCZMHIKIVDA-MPGHIAIKSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[NH+](C)C1 ZINC001288869440 1068484884 /nfs/dbraw/zinc/48/48/84/1068484884.db2.gz HRSWCZMHIKIVDA-MPGHIAIKSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288869440 1068484881 /nfs/dbraw/zinc/48/48/81/1068484881.db2.gz HRSWCZMHIKIVDA-MPGHIAIKSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288869440 1068484874 /nfs/dbraw/zinc/48/48/74/1068484874.db2.gz HRSWCZMHIKIVDA-MPGHIAIKSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288869442 1068484691 /nfs/dbraw/zinc/48/46/91/1068484691.db2.gz HRSWCZMHIKIVDA-RLFYNMQTSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001288869442 1068484688 /nfs/dbraw/zinc/48/46/88/1068484688.db2.gz HRSWCZMHIKIVDA-RLFYNMQTSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288869442 1068484685 /nfs/dbraw/zinc/48/46/85/1068484685.db2.gz HRSWCZMHIKIVDA-RLFYNMQTSA-N 2 1 443.574 -1.524 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288869442 1068484680 /nfs/dbraw/zinc/48/46/80/1068484680.db2.gz HRSWCZMHIKIVDA-RLFYNMQTSA-N 2 1 443.574 -1.524 20 0 IAADMP COCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001316067262 1068518997 /nfs/dbraw/zinc/51/89/97/1068518997.db2.gz CYPFTFKKUBYILS-CVEARBPZSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001316067262 1068518985 /nfs/dbraw/zinc/51/89/85/1068518985.db2.gz CYPFTFKKUBYILS-CVEARBPZSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001316067262 1068518971 /nfs/dbraw/zinc/51/89/71/1068518971.db2.gz CYPFTFKKUBYILS-CVEARBPZSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001316067262 1068518959 /nfs/dbraw/zinc/51/89/59/1068518959.db2.gz CYPFTFKKUBYILS-CVEARBPZSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001316067265 1068518869 /nfs/dbraw/zinc/51/88/69/1068518869.db2.gz CYPFTFKKUBYILS-HOTGVXAUSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001316067265 1068518857 /nfs/dbraw/zinc/51/88/57/1068518857.db2.gz CYPFTFKKUBYILS-HOTGVXAUSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001316067265 1068518847 /nfs/dbraw/zinc/51/88/47/1068518847.db2.gz CYPFTFKKUBYILS-HOTGVXAUSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC001316067265 1068518832 /nfs/dbraw/zinc/51/88/32/1068518832.db2.gz CYPFTFKKUBYILS-HOTGVXAUSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001316067456 1068519085 /nfs/dbraw/zinc/51/90/85/1068519085.db2.gz CYPFTFKKUBYILS-HZPDHXFCSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001316067456 1068519069 /nfs/dbraw/zinc/51/90/69/1068519069.db2.gz CYPFTFKKUBYILS-HZPDHXFCSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001316067456 1068519060 /nfs/dbraw/zinc/51/90/60/1068519060.db2.gz CYPFTFKKUBYILS-HZPDHXFCSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001316067456 1068519048 /nfs/dbraw/zinc/51/90/48/1068519048.db2.gz CYPFTFKKUBYILS-HZPDHXFCSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001316067458 1068518741 /nfs/dbraw/zinc/51/87/41/1068518741.db2.gz CYPFTFKKUBYILS-JKSUJKDBSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001316067458 1068518731 /nfs/dbraw/zinc/51/87/31/1068518731.db2.gz CYPFTFKKUBYILS-JKSUJKDBSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001316067458 1068518721 /nfs/dbraw/zinc/51/87/21/1068518721.db2.gz CYPFTFKKUBYILS-JKSUJKDBSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC001316067458 1068518709 /nfs/dbraw/zinc/51/87/09/1068518709.db2.gz CYPFTFKKUBYILS-JKSUJKDBSA-N 2 1 445.590 -1.013 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316121583 1068518520 /nfs/dbraw/zinc/51/85/20/1068518520.db2.gz SUNDAVJWZPPDJV-CRAIPNDOSA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121583 1068518500 /nfs/dbraw/zinc/51/85/00/1068518500.db2.gz SUNDAVJWZPPDJV-CRAIPNDOSA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316121584 1068518630 /nfs/dbraw/zinc/51/86/30/1068518630.db2.gz SUNDAVJWZPPDJV-MAUKXSAKSA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121584 1068518612 /nfs/dbraw/zinc/51/86/12/1068518612.db2.gz SUNDAVJWZPPDJV-MAUKXSAKSA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316121585 1068518921 /nfs/dbraw/zinc/51/89/21/1068518921.db2.gz SUNDAVJWZPPDJV-QAPCUYQASA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121585 1068518909 /nfs/dbraw/zinc/51/89/09/1068518909.db2.gz SUNDAVJWZPPDJV-QAPCUYQASA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001316121586 1068519448 /nfs/dbraw/zinc/51/94/48/1068519448.db2.gz SUNDAVJWZPPDJV-YJBOKZPZSA-N 2 1 445.590 -1.277 20 0 IAADMP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001316121586 1068519438 /nfs/dbraw/zinc/51/94/38/1068519438.db2.gz SUNDAVJWZPPDJV-YJBOKZPZSA-N 2 1 445.590 -1.277 20 0 IAADMP O=C(CN1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC001325835757 1068553463 /nfs/dbraw/zinc/55/34/63/1068553463.db2.gz NEEPLJJNDPFFBR-QZTJIDSGSA-N 2 1 442.528 -1.266 20 0 IAADMP O=C(CN1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC001325835757 1068553454 /nfs/dbraw/zinc/55/34/54/1068553454.db2.gz NEEPLJJNDPFFBR-QZTJIDSGSA-N 2 1 442.528 -1.266 20 0 IAADMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 ZINC001330752712 1068556887 /nfs/dbraw/zinc/55/68/87/1068556887.db2.gz VDXCJPPEKZJVQR-UHFFFAOYSA-N 2 1 430.513 -1.168 20 0 IAADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001360709175 1068569965 /nfs/dbraw/zinc/56/99/65/1068569965.db2.gz KCRYCYUDWIIVIO-CVEARBPZSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001360709175 1068569957 /nfs/dbraw/zinc/56/99/57/1068569957.db2.gz KCRYCYUDWIIVIO-CVEARBPZSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001360709176 1068570644 /nfs/dbraw/zinc/57/06/44/1068570644.db2.gz KCRYCYUDWIIVIO-HOTGVXAUSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001360709176 1068570632 /nfs/dbraw/zinc/57/06/32/1068570632.db2.gz KCRYCYUDWIIVIO-HOTGVXAUSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001360709177 1068570507 /nfs/dbraw/zinc/57/05/07/1068570507.db2.gz KCRYCYUDWIIVIO-HZPDHXFCSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001360709177 1068570492 /nfs/dbraw/zinc/57/04/92/1068570492.db2.gz KCRYCYUDWIIVIO-HZPDHXFCSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001360709178 1068570783 /nfs/dbraw/zinc/57/07/83/1068570783.db2.gz KCRYCYUDWIIVIO-JKSUJKDBSA-N 2 1 445.590 -1.013 20 0 IAADMP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001360709178 1068570766 /nfs/dbraw/zinc/57/07/66/1068570766.db2.gz KCRYCYUDWIIVIO-JKSUJKDBSA-N 2 1 445.590 -1.013 20 0 IAADMP