smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)nc(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000426537608 1067733545 /nfs/dbraw/zinc/73/35/45/1067733545.db2.gz GICQAJBRCVPODS-UHFFFAOYSA-N 2 0 449.560 -1.699 20 0 IAADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428803067 1067900943 /nfs/dbraw/zinc/90/09/43/1067900943.db2.gz IHOLKZKWGGBYDP-HOTGVXAUSA-N 2 0 426.605 -1.066 20 0 IAADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428803069 1067900893 /nfs/dbraw/zinc/90/08/93/1067900893.db2.gz IHOLKZKWGGBYDP-HZPDHXFCSA-N 2 0 426.605 -1.066 20 0 IAADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428803071 1067900963 /nfs/dbraw/zinc/90/09/63/1067900963.db2.gz IHOLKZKWGGBYDP-IYBDPMFKSA-N 2 0 426.605 -1.066 20 0 IAADRP CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)CC1)C(N)=O ZINC000440305366 1067735333 /nfs/dbraw/zinc/73/53/33/1067735333.db2.gz JRGNDMKQSKVNEZ-HOTGVXAUSA-N 2 0 426.562 -1.364 20 0 IAADRP CC(C)(C)[C@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1)C(N)=O ZINC000440305370 1067735349 /nfs/dbraw/zinc/73/53/49/1067735349.db2.gz JRGNDMKQSKVNEZ-HZPDHXFCSA-N 2 0 426.562 -1.364 20 0 IAADRP CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1)C(N)=O ZINC000440305373 1067735403 /nfs/dbraw/zinc/73/54/03/1067735403.db2.gz JRGNDMKQSKVNEZ-IYBDPMFKSA-N 2 0 426.562 -1.364 20 0 IAADRP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447914621 1067783887 /nfs/dbraw/zinc/78/38/87/1067783887.db2.gz LICJYRYKMIBMPW-BDXSIMOUSA-N 2 0 428.530 -2.084 20 0 IAADRP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447914622 1067783831 /nfs/dbraw/zinc/78/38/31/1067783831.db2.gz LICJYRYKMIBMPW-FZDBZEDMSA-N 2 0 428.530 -2.084 20 0 IAADRP O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)N1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447914624 1067783947 /nfs/dbraw/zinc/78/39/47/1067783947.db2.gz LICJYRYKMIBMPW-MHORFTMASA-N 2 0 428.530 -2.084 20 0 IAADRP O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)N1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447914625 1067783808 /nfs/dbraw/zinc/78/38/08/1067783808.db2.gz LICJYRYKMIBMPW-TVFCKZIOSA-N 2 0 428.530 -2.084 20 0 IAADRP C[NH+]1CC[C@@](O)(CNC(=O)CN(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c2ccccc2)C1 ZINC000462490193 1067899509 /nfs/dbraw/zinc/89/95/09/1067899509.db2.gz AKDDPDOBZOGVRM-FGZHOGPDSA-N 2 0 433.553 -1.141 20 0 IAADRP C[NH+]1CC[C@](O)(CNC(=O)CN(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c2ccccc2)C1 ZINC000462490194 1067899464 /nfs/dbraw/zinc/89/94/64/1067899464.db2.gz AKDDPDOBZOGVRM-SZPZYZBQSA-N 2 0 433.553 -1.141 20 0 IAADRP C[NH+]1CC[C@](O)(CNC(=O)CN(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c2ccccc2)C1 ZINC000462490195 1067899722 /nfs/dbraw/zinc/89/97/22/1067899722.db2.gz AKDDPDOBZOGVRM-VXKWHMMOSA-N 2 0 433.553 -1.141 20 0 IAADRP 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 1067821310 /nfs/dbraw/zinc/82/13/10/1067821310.db2.gz QCDZVMARDARFNM-HOTGVXAUSA-N 2 0 426.562 -1.715 20 0 IAADRP 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 1067821736 /nfs/dbraw/zinc/82/17/36/1067821736.db2.gz QCDZVMARDARFNM-HZPDHXFCSA-N 2 0 426.562 -1.715 20 0 IAADRP 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 1067821448 /nfs/dbraw/zinc/82/14/48/1067821448.db2.gz QCDZVMARDARFNM-IYBDPMFKSA-N 2 0 426.562 -1.715 20 0 IAADRP Cc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)nc(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000480107597 1067839600 /nfs/dbraw/zinc/83/96/00/1067839600.db2.gz DMIAUPZXOFLZDR-UHFFFAOYSA-N 2 0 433.561 -1.400 20 0 IAADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000481162783 1067845140 /nfs/dbraw/zinc/84/51/40/1067845140.db2.gz CSWNHZFGRDQHSW-HDICACEKSA-N 2 0 448.568 -1.484 20 0 IAADRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000481162784 1067845050 /nfs/dbraw/zinc/84/50/50/1067845050.db2.gz CSWNHZFGRDQHSW-QZTJIDSGSA-N 2 0 448.568 -1.484 20 0 IAADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000481162785 1067844934 /nfs/dbraw/zinc/84/49/34/1067844934.db2.gz CSWNHZFGRDQHSW-ROUUACIJSA-N 2 0 448.568 -1.484 20 0 IAADRP CNC(=O)[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](C(=O)NC)C(C)C)CC1)C(C)C ZINC000489161270 1067864952 /nfs/dbraw/zinc/86/49/52/1067864952.db2.gz OASLYLHIHBVPQU-ROUUACIJSA-N 2 0 426.562 -1.622 20 0 IAADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000489459675 1067866754 /nfs/dbraw/zinc/86/67/54/1067866754.db2.gz QDYIIGGIJDANAX-UHFFFAOYSA-N 2 0 448.568 -1.480 20 0 IAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000490383581 1067870239 /nfs/dbraw/zinc/87/02/39/1067870239.db2.gz XPUNXBYZLOTSDY-UHFFFAOYSA-N 2 0 448.572 -1.261 20 0 IAADRP C[NH+](C)CC(=O)N1CCN(C(=O)CCCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000519235377 1067734502 /nfs/dbraw/zinc/73/45/02/1067734502.db2.gz NQAYMBDXZVUGGD-UHFFFAOYSA-N 2 0 438.573 -1.379 20 0 IAADRP C[NH+](C)CC(=O)N1CCN(C(=O)COCC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000520641615 1067747346 /nfs/dbraw/zinc/74/73/46/1067747346.db2.gz KPUIMXRGQFUYOV-UHFFFAOYSA-N 2 0 440.545 -2.532 20 0 IAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000532562965 1067982602 /nfs/dbraw/zinc/98/26/02/1067982602.db2.gz AKSLQIUVPKSKDM-KRWDZBQOSA-N 2 0 447.540 -1.081 20 0 IAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000532562979 1067982422 /nfs/dbraw/zinc/98/24/22/1067982422.db2.gz AKSLQIUVPKSKDM-QGZVFWFLSA-N 2 0 447.540 -1.081 20 0 IAADRP CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C(=O)N(C)C)CC1 ZINC000533522553 1067795821 /nfs/dbraw/zinc/79/58/21/1067795821.db2.gz DBHBDTFNAJBKGJ-UHFFFAOYSA-N 2 0 426.562 -1.430 20 0 IAADRP Cn1cc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728039 1067636044 /nfs/dbraw/zinc/63/60/44/1067636044.db2.gz SPJUDJGFUCCHSJ-SLFFLAALSA-N 2 0 444.584 -1.527 20 0 IAADRP Cn1cc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728040 1067636105 /nfs/dbraw/zinc/63/61/05/1067636105.db2.gz SPJUDJGFUCCHSJ-UFYCRDLUSA-N 2 0 444.584 -1.527 20 0 IAADRP Cn1cc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728041 1067636216 /nfs/dbraw/zinc/63/62/16/1067636216.db2.gz SPJUDJGFUCCHSJ-XUVXKRRUSA-N 2 0 444.584 -1.527 20 0 IAADRP Cn1cc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)NC(=O)[C@@H]2C[NH+]3CCN2CCC3)cn1 ZINC000535728042 1067636168 /nfs/dbraw/zinc/63/61/68/1067636168.db2.gz SPJUDJGFUCCHSJ-ZCNNSNEGSA-N 2 0 444.584 -1.527 20 0 IAADRP COCCN(CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000547786604 1067621178 /nfs/dbraw/zinc/62/11/78/1067621178.db2.gz XCNFLMNCOXHCKD-PMACEKPBSA-N 2 0 436.601 -1.253 20 0 IAADRP COCCN(CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000547786605 1067621713 /nfs/dbraw/zinc/62/17/13/1067621713.db2.gz XCNFLMNCOXHCKD-UXHICEINSA-N 2 0 436.601 -1.253 20 0 IAADRP COCCN(CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000547786606 1067621667 /nfs/dbraw/zinc/62/16/67/1067621667.db2.gz XCNFLMNCOXHCKD-VQTJNVASSA-N 2 0 436.601 -1.253 20 0 IAADRP COCCN(CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000547786607 1067621585 /nfs/dbraw/zinc/62/15/85/1067621585.db2.gz XCNFLMNCOXHCKD-WOJBJXKFSA-N 2 0 436.601 -1.253 20 0 IAADRP CN1CCN(C(=O)CCNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000550674559 1067800808 /nfs/dbraw/zinc/80/08/08/1067800808.db2.gz MGWUUWZIEGYYIC-UHFFFAOYSA-N 2 0 445.568 -1.010 20 0 IAADRP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+]2CCN1CCC2 ZINC000551930134 1067814429 /nfs/dbraw/zinc/81/44/29/1067814429.db2.gz NTEHSSHVHCBYSK-CEXWTWQISA-N 2 0 436.626 -1.174 20 0 IAADRP O=C(NC[C@@H]1CSCCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000551930135 1067814011 /nfs/dbraw/zinc/81/40/11/1067814011.db2.gz NTEHSSHVHCBYSK-GUDVDZBRSA-N 2 0 436.626 -1.174 20 0 IAADRP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000551930136 1067813807 /nfs/dbraw/zinc/81/38/07/1067813807.db2.gz NTEHSSHVHCBYSK-QRVBRYPASA-N 2 0 436.626 -1.174 20 0 IAADRP O=C(NC[C@@H]1CSCCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[NH+]2CCN1CCC2 ZINC000551930137 1067814282 /nfs/dbraw/zinc/81/42/82/1067814282.db2.gz NTEHSSHVHCBYSK-QYZOEREBSA-N 2 0 436.626 -1.174 20 0 IAADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552899334 1067827087 /nfs/dbraw/zinc/82/70/87/1067827087.db2.gz PERKWVRBUNODHB-KRWDZBQOSA-N 2 0 436.557 -1.543 20 0 IAADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552899335 1067826838 /nfs/dbraw/zinc/82/68/38/1067826838.db2.gz PERKWVRBUNODHB-QGZVFWFLSA-N 2 0 436.557 -1.543 20 0 IAADRP CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552928821 1067827014 /nfs/dbraw/zinc/82/70/14/1067827014.db2.gz PPNSJRWCJMWICA-FQEVSTJZSA-N 2 0 448.568 -1.139 20 0 IAADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552928822 1067827103 /nfs/dbraw/zinc/82/71/03/1067827103.db2.gz PPNSJRWCJMWICA-HXUWFJFHSA-N 2 0 448.568 -1.139 20 0 IAADRP COC(=O)CCN1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255476 1067627249 /nfs/dbraw/zinc/62/72/49/1067627249.db2.gz NIWJPGXUBPBSJD-HOTGVXAUSA-N 2 0 425.530 -1.214 20 0 IAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255997 1068184517 /nfs/dbraw/zinc/18/45/17/1068184517.db2.gz UVWFKSQOGHHKOA-DLBZAZTESA-N 2 0 436.557 -1.545 20 0 IAADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256002 1068184793 /nfs/dbraw/zinc/18/47/93/1068184793.db2.gz UVWFKSQOGHHKOA-IAGOWNOFSA-N 2 0 436.557 -1.545 20 0 IAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557256005 1068184623 /nfs/dbraw/zinc/18/46/23/1068184623.db2.gz UVWFKSQOGHHKOA-IRXDYDNUSA-N 2 0 436.557 -1.545 20 0 IAADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557256008 1068184775 /nfs/dbraw/zinc/18/47/75/1068184775.db2.gz UVWFKSQOGHHKOA-SJORKVTESA-N 2 0 436.557 -1.545 20 0 IAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000558207897 1068194023 /nfs/dbraw/zinc/19/40/23/1068194023.db2.gz HLUPUJHWRHAMOO-CVEARBPZSA-N 2 0 430.575 -1.778 20 0 IAADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000558207898 1068193971 /nfs/dbraw/zinc/19/39/71/1068193971.db2.gz HLUPUJHWRHAMOO-HOTGVXAUSA-N 2 0 430.575 -1.778 20 0 IAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000558207899 1068194064 /nfs/dbraw/zinc/19/40/64/1068194064.db2.gz HLUPUJHWRHAMOO-HZPDHXFCSA-N 2 0 430.575 -1.778 20 0 IAADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000558207900 1068194081 /nfs/dbraw/zinc/19/40/81/1068194081.db2.gz HLUPUJHWRHAMOO-JKSUJKDBSA-N 2 0 430.575 -1.778 20 0 IAADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000559676286 1068200422 /nfs/dbraw/zinc/20/04/22/1068200422.db2.gz ZDBOJHMXRCDYIV-UHFFFAOYSA-N 2 0 446.552 -1.173 20 0 IAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000560902750 1068207468 /nfs/dbraw/zinc/20/74/68/1068207468.db2.gz UKBDNKMSXCTTLB-KRWDZBQOSA-N 2 0 438.573 -1.297 20 0 IAADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000560903198 1068207420 /nfs/dbraw/zinc/20/74/20/1068207420.db2.gz UKBDNKMSXCTTLB-QGZVFWFLSA-N 2 0 438.573 -1.297 20 0 IAADRP CCNC(=O)CN1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000560914999 1068207952 /nfs/dbraw/zinc/20/79/52/1068207952.db2.gz DGBNFQQADHJGMM-UHFFFAOYSA-N 2 0 445.568 -1.010 20 0 IAADRP CNS(=O)(=O)NC1CC[NH+](CCCC[NH+]2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000571731241 1067873181 /nfs/dbraw/zinc/87/31/81/1067873181.db2.gz WXBOFYDAXPRQGN-UHFFFAOYSA-N 2 0 440.636 -1.197 20 0 IAADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817094 1068258990 /nfs/dbraw/zinc/25/89/90/1068258990.db2.gz YJWXWWYJVLHZNV-CVEARBPZSA-N 2 0 442.586 -1.636 20 0 IAADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817095 1068259115 /nfs/dbraw/zinc/25/91/15/1068259115.db2.gz YJWXWWYJVLHZNV-HOTGVXAUSA-N 2 0 442.586 -1.636 20 0 IAADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817096 1068259069 /nfs/dbraw/zinc/25/90/69/1068259069.db2.gz YJWXWWYJVLHZNV-HZPDHXFCSA-N 2 0 442.586 -1.636 20 0 IAADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817097 1068258822 /nfs/dbraw/zinc/25/88/22/1068258822.db2.gz YJWXWWYJVLHZNV-JKSUJKDBSA-N 2 0 442.586 -1.636 20 0 IAADRP O=C(CSCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579056435 1068259772 /nfs/dbraw/zinc/25/97/72/1068259772.db2.gz OOCAYGHOAQGHFT-BGYRXZFFSA-N 2 0 426.583 -1.135 20 0 IAADRP O=C(CSCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000579056446 1068259845 /nfs/dbraw/zinc/25/98/45/1068259845.db2.gz OOCAYGHOAQGHFT-PMACEKPBSA-N 2 0 426.583 -1.135 20 0 IAADRP O=C(CSCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000579056452 1068259837 /nfs/dbraw/zinc/25/98/37/1068259837.db2.gz OOCAYGHOAQGHFT-WOJBJXKFSA-N 2 0 426.583 -1.135 20 0 IAADRP CS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000584188657 1067652536 /nfs/dbraw/zinc/65/25/36/1067652536.db2.gz QBDXWICSEJFTBK-UHFFFAOYSA-N 2 0 438.554 -1.186 20 0 IAADRP CS(=O)(=O)N1CC(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000672001811 1067961603 /nfs/dbraw/zinc/96/16/03/1067961603.db2.gz QBUSTIVSKVTZGR-UHFFFAOYSA-N 2 0 438.554 -1.283 20 0 IAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000676097266 1067980287 /nfs/dbraw/zinc/98/02/87/1067980287.db2.gz YHMQKNHSOXTETA-GOSISDBHSA-N 2 0 448.572 -1.262 20 0 IAADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000676097267 1067980217 /nfs/dbraw/zinc/98/02/17/1067980217.db2.gz YHMQKNHSOXTETA-SFHVURJKSA-N 2 0 448.572 -1.262 20 0 IAADRP C[NH+]1CCN(CCNC(=O)C(F)(F)C(F)(F)C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000742500777 1068005047 /nfs/dbraw/zinc/00/50/47/1068005047.db2.gz GKEHTNCFNRHDSY-UHFFFAOYSA-N 2 0 440.486 -1.016 20 0 IAADRP 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 1068005279 /nfs/dbraw/zinc/00/52/79/1068005279.db2.gz HNJGIEAEVOVDGP-KBPBESRZSA-N 2 0 440.486 -1.019 20 0 IAADRP 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 1068005354 /nfs/dbraw/zinc/00/53/54/1068005354.db2.gz HNJGIEAEVOVDGP-ZIAGYGMSSA-N 2 0 440.486 -1.019 20 0 IAADRP O=C1NC[C@@H]2C[NH+](CCCCCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912014 1068010210 /nfs/dbraw/zinc/01/02/10/1068010210.db2.gz DHYMXODXJUACQE-HDICACEKSA-N 2 0 448.568 -1.388 20 0 IAADRP O=C1NC[C@@H]2C[NH+](CCCCCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000766912021 1068010098 /nfs/dbraw/zinc/01/00/98/1068010098.db2.gz DHYMXODXJUACQE-QZTJIDSGSA-N 2 0 448.568 -1.388 20 0 IAADRP O=C1NC[C@H]2C[NH+](CCCCCCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000766912023 1068010434 /nfs/dbraw/zinc/01/04/34/1068010434.db2.gz DHYMXODXJUACQE-ROUUACIJSA-N 2 0 448.568 -1.388 20 0 IAADRP 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 1068312751 /nfs/dbraw/zinc/31/27/51/1068312751.db2.gz KLSDNPNGYZAIAN-FGZHOGPDSA-N 2 0 446.552 -1.919 20 0 IAADRP 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 1068312365 /nfs/dbraw/zinc/31/23/65/1068312365.db2.gz KLSDNPNGYZAIAN-SZPZYZBQSA-N 2 0 446.552 -1.919 20 0 IAADRP 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 1068312535 /nfs/dbraw/zinc/31/25/35/1068312535.db2.gz KLSDNPNGYZAIAN-VXKWHMMOSA-N 2 0 446.552 -1.919 20 0 IAADRP C[NH+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001116911881 1068313356 /nfs/dbraw/zinc/31/33/56/1068313356.db2.gz KMQXZOWYXJZDQK-GASCZTMLSA-N 2 0 428.577 -2.652 20 0 IAADRP C[NH+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001116911896 1068313316 /nfs/dbraw/zinc/31/33/16/1068313316.db2.gz KMQXZOWYXJZDQK-GJZGRUSLSA-N 2 0 428.577 -2.652 20 0 IAADRP C[NH+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001116911898 1068313431 /nfs/dbraw/zinc/31/34/31/1068313431.db2.gz KMQXZOWYXJZDQK-HUUCEWRRSA-N 2 0 428.577 -2.652 20 0 IAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1C[NH+](C)C1)C(N)=O ZINC001142604944 1068320637 /nfs/dbraw/zinc/32/06/37/1068320637.db2.gz JMCZCYSCSMLICV-ULQDDVLXSA-N 2 0 438.573 -1.221 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001144336541 1068042602 /nfs/dbraw/zinc/04/26/02/1068042602.db2.gz WFQZVVOSMNNBBH-ARQXIKTOSA-N 2 0 429.518 -1.120 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001144336542 1068042671 /nfs/dbraw/zinc/04/26/71/1068042671.db2.gz WFQZVVOSMNNBBH-DAPGRXQESA-N 2 0 429.518 -1.120 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](O)OC(C)(C)C)C1 ZINC001144336543 1068042861 /nfs/dbraw/zinc/04/28/61/1068042861.db2.gz WFQZVVOSMNNBBH-DYCUAQQMSA-N 2 0 429.518 -1.120 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)OC(C)(C)C)C1 ZINC001144336544 1068042890 /nfs/dbraw/zinc/04/28/90/1068042890.db2.gz WFQZVVOSMNNBBH-QLLXLZQLSA-N 2 0 429.518 -1.120 20 0 IAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157303447 1068331804 /nfs/dbraw/zinc/33/18/04/1068331804.db2.gz HYLOUWFFLRMHKZ-BZSNNMDCSA-N 2 0 446.552 -1.237 20 0 IAADRP C[C@@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001157615325 1068333357 /nfs/dbraw/zinc/33/33/57/1068333357.db2.gz HNIVXSQSASHIRC-CVEARBPZSA-N 2 0 432.525 -1.585 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157626190 1068333801 /nfs/dbraw/zinc/33/38/01/1068333801.db2.gz CGMKVWIIABEWHK-UHFFFAOYSA-N 2 0 440.545 -2.355 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@H]1C[NH2+]CCO1)C(=O)CF ZINC001157720491 1068333571 /nfs/dbraw/zinc/33/35/71/1068333571.db2.gz KIKDLMODVULORZ-LOUJCGABSA-N 2 0 431.509 -1.665 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)C[C@@H]1C[NH2+]CCO1)C(=O)CF ZINC001157720492 1068333768 /nfs/dbraw/zinc/33/37/68/1068333768.db2.gz KIKDLMODVULORZ-WSMBLCCSSA-N 2 0 431.509 -1.665 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102695 1068334953 /nfs/dbraw/zinc/33/49/53/1068334953.db2.gz VVVPYIOQXPNGQT-OSAWLIQMSA-N 2 0 436.557 -1.454 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102696 1068335042 /nfs/dbraw/zinc/33/50/42/1068335042.db2.gz VVVPYIOQXPNGQT-VCAMNPENSA-N 2 0 436.557 -1.454 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120919 1068335904 /nfs/dbraw/zinc/33/59/04/1068335904.db2.gz VRAARWWGRPASLI-PONJGIIJSA-N 2 0 448.568 -1.676 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120920 1068335642 /nfs/dbraw/zinc/33/56/42/1068335642.db2.gz VRAARWWGRPASLI-WCJKSRRJSA-N 2 0 448.568 -1.676 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)CF ZINC001158180071 1068335801 /nfs/dbraw/zinc/33/58/01/1068335801.db2.gz SLZGAVWFRFGFID-JGTMWYTQSA-N 2 0 443.520 -1.665 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158247754 1068336561 /nfs/dbraw/zinc/33/65/61/1068336561.db2.gz BIUDXXSODRUECL-LLVKDONJSA-N 2 0 436.435 -2.031 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001158247768 1068336312 /nfs/dbraw/zinc/33/63/12/1068336312.db2.gz BIUDXXSODRUECL-NSHDSACASA-N 2 0 436.435 -2.031 20 0 IAADRP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277735 1068336528 /nfs/dbraw/zinc/33/65/28/1068336528.db2.gz UFEZPAYBXDPZNJ-IRXDYDNUSA-N 2 0 443.508 -1.548 20 0 IAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158379918 1068336166 /nfs/dbraw/zinc/33/61/66/1068336166.db2.gz GIZVWQNWJDBMIK-KTCLOZQLSA-N 2 0 437.419 -1.763 20 0 IAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158379919 1068336495 /nfs/dbraw/zinc/33/64/95/1068336495.db2.gz GIZVWQNWJDBMIK-NXPNQGMMSA-N 2 0 437.419 -1.763 20 0 IAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158379920 1068337019 /nfs/dbraw/zinc/33/70/19/1068337019.db2.gz GIZVWQNWJDBMIK-VCXDHIOWSA-N 2 0 437.419 -1.763 20 0 IAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158379921 1068336858 /nfs/dbraw/zinc/33/68/58/1068336858.db2.gz GIZVWQNWJDBMIK-VUKUWZNJSA-N 2 0 437.419 -1.763 20 0 IAADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158383702 1068337129 /nfs/dbraw/zinc/33/71/29/1068337129.db2.gz RDGCFUOYUMZQTG-KBPBESRZSA-N 2 0 430.449 -1.250 20 0 IAADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158383703 1068336727 /nfs/dbraw/zinc/33/67/27/1068336727.db2.gz RDGCFUOYUMZQTG-KGLIPLIRSA-N 2 0 430.449 -1.250 20 0 IAADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158383704 1068336887 /nfs/dbraw/zinc/33/68/87/1068336887.db2.gz RDGCFUOYUMZQTG-UONOGXRCSA-N 2 0 430.449 -1.250 20 0 IAADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001158383705 1068337050 /nfs/dbraw/zinc/33/70/50/1068337050.db2.gz RDGCFUOYUMZQTG-ZIAGYGMSSA-N 2 0 430.449 -1.250 20 0 IAADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001158497705 1068336766 /nfs/dbraw/zinc/33/67/66/1068336766.db2.gz DUNHHXCQDAVLIZ-PEJOBZMASA-N 2 0 434.493 -1.509 20 0 IAADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2)CC1 ZINC001158513015 1068337296 /nfs/dbraw/zinc/33/72/96/1068337296.db2.gz GFAOYLMIKMAXRF-BBRMVZONSA-N 2 0 425.530 -1.040 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158555957 1068337704 /nfs/dbraw/zinc/33/77/04/1068337704.db2.gz QTARVLUKKLTCRA-IERDGZPVSA-N 2 0 430.509 -2.101 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630896 1068337333 /nfs/dbraw/zinc/33/73/33/1068337333.db2.gz ZLTMAPNVIGBBOA-KRWDZBQOSA-N 2 0 448.572 -1.100 20 0 IAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630897 1068337531 /nfs/dbraw/zinc/33/75/31/1068337531.db2.gz ZLTMAPNVIGBBOA-QGZVFWFLSA-N 2 0 448.572 -1.100 20 0 IAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680275 1068338140 /nfs/dbraw/zinc/33/81/40/1068338140.db2.gz BGNGTWVJVAJRPH-ARFHVFGLSA-N 2 0 448.549 -1.655 20 0 IAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680276 1068338381 /nfs/dbraw/zinc/33/83/81/1068338381.db2.gz BGNGTWVJVAJRPH-HRCADAONSA-N 2 0 448.549 -1.655 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O)C(N)=O ZINC001158734866 1068339605 /nfs/dbraw/zinc/33/96/05/1068339605.db2.gz GXUGZUUNMCCMJI-GXSJLCMTSA-N 2 0 430.487 -2.294 20 0 IAADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)COC1(C)C ZINC001158735191 1068339713 /nfs/dbraw/zinc/33/97/13/1068339713.db2.gz QUYCSSDGCITEHQ-GWCFXTLKSA-N 2 0 429.499 -1.081 20 0 IAADRP CC(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ncnc2c1CC[NH2+]CC2 ZINC001158760154 1068340428 /nfs/dbraw/zinc/34/04/28/1068340428.db2.gz ZRVZORGFFXRHFC-UHFFFAOYSA-N 2 0 434.501 -2.787 20 0 IAADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821269 1068340258 /nfs/dbraw/zinc/34/02/58/1068340258.db2.gz GJOCLSPBOLKCDK-IRXDYDNUSA-N 2 0 448.572 -1.100 20 0 IAADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158855804 1068340190 /nfs/dbraw/zinc/34/01/90/1068340190.db2.gz IRWGZMAJGSBAMG-UHFFFAOYSA-N 2 0 436.517 -2.558 20 0 IAADRP CC(C)N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001158883451 1068341264 /nfs/dbraw/zinc/34/12/64/1068341264.db2.gz HBYJWLSJTOWLMS-HOCLYGCPSA-N 2 0 449.556 -1.433 20 0 IAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001158890850 1068340916 /nfs/dbraw/zinc/34/09/16/1068340916.db2.gz OQNDBEQGPLZZCS-UHFFFAOYSA-N 2 0 439.517 -3.503 20 0 IAADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])CC2 ZINC001158890997 1068340734 /nfs/dbraw/zinc/34/07/34/1068340734.db2.gz SCSLNQAYTUXFLA-HOTGVXAUSA-N 2 0 436.557 -1.356 20 0 IAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159075266 1068344425 /nfs/dbraw/zinc/34/44/25/1068344425.db2.gz LSEQDSFXZKCOSI-KRWDZBQOSA-N 2 0 432.573 -1.557 20 0 IAADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159075269 1068343854 /nfs/dbraw/zinc/34/38/54/1068343854.db2.gz LSEQDSFXZKCOSI-QGZVFWFLSA-N 2 0 432.573 -1.557 20 0 IAADRP Cn1nnc2c1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]2COCC[NH+]1CCCC1 ZINC001159123519 1068345367 /nfs/dbraw/zinc/34/53/67/1068345367.db2.gz JEPJHKOQTCXZMK-INIZCTEOSA-N 2 0 443.574 -1.426 20 0 IAADRP Cn1nnc2c1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001159123520 1068345101 /nfs/dbraw/zinc/34/51/01/1068345101.db2.gz JEPJHKOQTCXZMK-MRXNPFEDSA-N 2 0 443.574 -1.426 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159135884 1068346156 /nfs/dbraw/zinc/34/61/56/1068346156.db2.gz GXCNNCCUNCTZKY-JKSUJKDBSA-N 2 0 431.497 -2.436 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157037 1068345936 /nfs/dbraw/zinc/34/59/36/1068345936.db2.gz AIMQUZWGSAWDDL-UHFFFAOYSA-N 2 0 448.528 -2.829 20 0 IAADRP CC(C)(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160236 1068345780 /nfs/dbraw/zinc/34/57/80/1068345780.db2.gz GEPSNNJKVZMXKL-AWEZNQCLSA-N 2 0 440.545 -2.168 20 0 IAADRP CC(C)(C)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001159160237 1068346063 /nfs/dbraw/zinc/34/60/63/1068346063.db2.gz GEPSNNJKVZMXKL-CQSZACIVSA-N 2 0 440.545 -2.168 20 0 IAADRP 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 1068346093 /nfs/dbraw/zinc/34/60/93/1068346093.db2.gz WITYKVYDICCPHM-ITWBUVANSA-N 2 0 446.556 -1.313 20 0 IAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CC24C[NH2+]C4)CC3)C1=O ZINC001159180294 1068345878 /nfs/dbraw/zinc/34/58/78/1068345878.db2.gz CIZXVOXLDAQZIE-FOIQADDNSA-N 2 0 439.582 -1.472 20 0 IAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CC24C[NH2+]C4)CC3)C1=O ZINC001159180297 1068345724 /nfs/dbraw/zinc/34/57/24/1068345724.db2.gz CIZXVOXLDAQZIE-MGPUTAFESA-N 2 0 439.582 -1.472 20 0 IAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2C[NH2+]CC24C[NH2+]C4)CC3)C1=O ZINC001159180300 1068345906 /nfs/dbraw/zinc/34/59/06/1068345906.db2.gz CIZXVOXLDAQZIE-QRWLVFNGSA-N 2 0 439.582 -1.472 20 0 IAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[NH2+]CC24C[NH2+]C4)CC3)C1=O ZINC001159180303 1068345758 /nfs/dbraw/zinc/34/57/58/1068345758.db2.gz CIZXVOXLDAQZIE-YWZLYKJASA-N 2 0 439.582 -1.472 20 0 IAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159190882 1068347984 /nfs/dbraw/zinc/34/79/84/1068347984.db2.gz NBBNOLURLZUPST-CYBMUJFWSA-N 2 0 425.511 -1.373 20 0 IAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159190883 1068348275 /nfs/dbraw/zinc/34/82/75/1068348275.db2.gz NBBNOLURLZUPST-ZDUSSCGKSA-N 2 0 425.511 -1.373 20 0 IAADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC3)C1=O ZINC001159190948 1068348154 /nfs/dbraw/zinc/34/81/54/1068348154.db2.gz OLHKEMCZKGYSQT-KBXCAEBGSA-N 2 0 447.627 -1.262 20 0 IAADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC3)C1=O ZINC001159190949 1068347758 /nfs/dbraw/zinc/34/77/58/1068347758.db2.gz OLHKEMCZKGYSQT-KSSFIOAISA-N 2 0 447.627 -1.262 20 0 IAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159191030 1068347814 /nfs/dbraw/zinc/34/78/14/1068347814.db2.gz QJGDYELEWVHFAQ-AWEZNQCLSA-N 2 0 443.512 -1.212 20 0 IAADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001159191031 1068348135 /nfs/dbraw/zinc/34/81/35/1068348135.db2.gz QJGDYELEWVHFAQ-CQSZACIVSA-N 2 0 443.512 -1.212 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)C(N)=O ZINC001159192267 1068348952 /nfs/dbraw/zinc/34/89/52/1068348952.db2.gz PIZLLMDMFVLUHT-WCQYABFASA-N 2 0 437.501 -2.052 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159234450 1068349785 /nfs/dbraw/zinc/34/97/85/1068349785.db2.gz JVEHGFIWLSUKQJ-ZFWWWQNUSA-N 2 0 428.497 -1.336 20 0 IAADRP 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 1068350226 /nfs/dbraw/zinc/35/02/26/1068350226.db2.gz IGCYOLNVGZRUJV-OGCZYDBJSA-N 2 0 432.525 -1.163 20 0 IAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393134 1068350124 /nfs/dbraw/zinc/35/01/24/1068350124.db2.gz AANFCEWMZNEZBS-SOUVJXGZSA-N 3 0 440.595 -1.163 20 0 IAADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001159393320 1068350185 /nfs/dbraw/zinc/35/01/85/1068350185.db2.gz BHUKZEBTTVOFHP-ASKKUZCQSA-N 2 0 432.550 -1.231 20 0 IAADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001159393321 1068350445 /nfs/dbraw/zinc/35/04/45/1068350445.db2.gz BHUKZEBTTVOFHP-MFCZKXCZSA-N 2 0 432.550 -1.231 20 0 IAADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001159393325 1068350292 /nfs/dbraw/zinc/35/02/92/1068350292.db2.gz BHUKZEBTTVOFHP-UIVXKWKOSA-N 2 0 432.550 -1.231 20 0 IAADRP O=C(n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001159393330 1068350094 /nfs/dbraw/zinc/35/00/94/1068350094.db2.gz BHUKZEBTTVOFHP-ZFCANOHDSA-N 2 0 432.550 -1.231 20 0 IAADRP NC(=O)CC[C@H]([NH3+])CC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393335 1068350426 /nfs/dbraw/zinc/35/04/26/1068350426.db2.gz BQYAPIDASSELFO-SOUVJXGZSA-N 2 0 436.538 -1.199 20 0 IAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393365 1068350727 /nfs/dbraw/zinc/35/07/27/1068350727.db2.gz DAJNYNTVCDKLOW-ARFHVFGLSA-N 3 0 432.550 -1.373 20 0 IAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393366 1068350840 /nfs/dbraw/zinc/35/08/40/1068350840.db2.gz DAJNYNTVCDKLOW-HRCADAONSA-N 3 0 432.550 -1.373 20 0 IAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393619 1068350863 /nfs/dbraw/zinc/35/08/63/1068350863.db2.gz FZDXCXNAUXRTGL-HRCADAONSA-N 2 0 448.549 -1.233 20 0 IAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393906 1068350751 /nfs/dbraw/zinc/35/07/51/1068350751.db2.gz IUDCUTKFVACLKA-KHAILKNSSA-N 2 0 441.579 -1.086 20 0 IAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393907 1068350961 /nfs/dbraw/zinc/35/09/61/1068350961.db2.gz IUDCUTKFVACLKA-NNVCVGJYSA-N 2 0 441.579 -1.086 20 0 IAADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394247 1068350776 /nfs/dbraw/zinc/35/07/76/1068350776.db2.gz MDDWVUHKTMWLAL-BYNSBNAKSA-N 2 0 432.506 -1.208 20 0 IAADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394284 1068351025 /nfs/dbraw/zinc/35/10/25/1068351025.db2.gz MRZIWUAAWHJONY-JJRVBVJISA-N 2 0 446.533 -1.704 20 0 IAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394287 1068351083 /nfs/dbraw/zinc/35/10/83/1068351083.db2.gz MRZIWUAAWHJONY-VBQJREDUSA-N 2 0 446.533 -1.704 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394711 1068351053 /nfs/dbraw/zinc/35/10/53/1068351053.db2.gz PSGUYRRQULNXDC-LWWSYDQCSA-N 2 0 436.538 -1.330 20 0 IAADRP CCOC(=O)C1(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C[NH2+]C1 ZINC001159394843 1068350789 /nfs/dbraw/zinc/35/07/89/1068350789.db2.gz RJZCQUMADHZMMU-LSDHHAIUSA-N 2 0 449.533 -1.030 20 0 IAADRP [NH3+]CCOCCOCC(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394853 1068350714 /nfs/dbraw/zinc/35/07/14/1068350714.db2.gz SBLPFVSLFJAYPX-JKSUJKDBSA-N 2 0 439.538 -1.190 20 0 IAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394863 1068351038 /nfs/dbraw/zinc/35/10/38/1068351038.db2.gz SFBPOZSOQCHVCM-HRCADAONSA-N 2 0 448.549 -1.314 20 0 IAADRP [NH3+]CCNC(=O)/C=C/C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395246 1068350945 /nfs/dbraw/zinc/35/09/45/1068350945.db2.gz VMZDRQBKNIZNJO-TXBZRHMMSA-N 2 0 434.522 -1.551 20 0 IAADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395267 1068350992 /nfs/dbraw/zinc/35/09/92/1068350992.db2.gz WCPHGLJTTKJGBC-ARFHVFGLSA-N 2 0 448.549 -1.852 20 0 IAADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395268 1068350814 /nfs/dbraw/zinc/35/08/14/1068350814.db2.gz WCPHGLJTTKJGBC-HRCADAONSA-N 2 0 448.549 -1.852 20 0 IAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395692 1068350927 /nfs/dbraw/zinc/35/09/27/1068350927.db2.gz XZTKGYXXXLQBTF-LTIDMASMSA-N 2 0 449.533 -1.031 20 0 IAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395694 1068350698 /nfs/dbraw/zinc/35/06/98/1068350698.db2.gz XZTKGYXXXLQBTF-LUKYLMHMSA-N 2 0 449.533 -1.031 20 0 IAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395698 1068351885 /nfs/dbraw/zinc/35/18/85/1068351885.db2.gz XZTKGYXXXLQBTF-MWDXBVQZSA-N 2 0 449.533 -1.031 20 0 IAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395702 1068351645 /nfs/dbraw/zinc/35/16/45/1068351645.db2.gz XZTKGYXXXLQBTF-YYIAUSFCSA-N 2 0 449.533 -1.031 20 0 IAADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395784 1068351377 /nfs/dbraw/zinc/35/13/77/1068351377.db2.gz ZLADMLCKDBOIHB-ZZTPXLKCSA-N 2 0 432.550 -1.232 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)C(N)=O ZINC001159403993 1068351553 /nfs/dbraw/zinc/35/15/53/1068351553.db2.gz UAXDEJPBUONQRY-RFBLXINOSA-N 2 0 433.513 -1.468 20 0 IAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2Cn4nnnc4C24CC[NH2+]CC4)CC3)CC1 ZINC001159416454 1068351399 /nfs/dbraw/zinc/35/13/99/1068351399.db2.gz AGXMIQFHSDMZSV-KRWDZBQOSA-N 2 0 440.556 -1.090 20 0 IAADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2Cn4nnnc4C24CC[NH2+]CC4)CC3)CC1 ZINC001159416455 1068351675 /nfs/dbraw/zinc/35/16/75/1068351675.db2.gz AGXMIQFHSDMZSV-QGZVFWFLSA-N 2 0 440.556 -1.090 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)C(N)=O ZINC001159425091 1068351512 /nfs/dbraw/zinc/35/15/12/1068351512.db2.gz PQLWSKUADDGHQV-GOEBONIOSA-N 2 0 434.545 -1.930 20 0 IAADRP O=C(CNC1CC[NH2+]CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456950 1068352102 /nfs/dbraw/zinc/35/21/02/1068352102.db2.gz BQDCWTDXAPSOFI-BRWVUGGUSA-N 2 0 428.555 -1.552 20 0 IAADRP O=C(CNC1CC[NH2+]CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456951 1068352499 /nfs/dbraw/zinc/35/24/99/1068352499.db2.gz BQDCWTDXAPSOFI-GVDBMIGSSA-N 2 0 428.555 -1.552 20 0 IAADRP [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457108 1068352946 /nfs/dbraw/zinc/35/29/46/1068352946.db2.gz FELWZEYQIHNUQH-HZMVEIRTSA-N 2 0 428.555 -1.566 20 0 IAADRP [NH3+][C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457109 1068353241 /nfs/dbraw/zinc/35/32/41/1068353241.db2.gz FELWZEYQIHNUQH-QBPKDAKJSA-N 2 0 428.555 -1.566 20 0 IAADRP [NH3+][C@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457110 1068353227 /nfs/dbraw/zinc/35/32/27/1068353227.db2.gz FELWZEYQIHNUQH-VQHPVUNQSA-N 2 0 428.555 -1.566 20 0 IAADRP [NH3+][C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001159457111 1068352975 /nfs/dbraw/zinc/35/29/75/1068352975.db2.gz FELWZEYQIHNUQH-YLFCFFPRSA-N 2 0 428.555 -1.566 20 0 IAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457398 1068353091 /nfs/dbraw/zinc/35/30/91/1068353091.db2.gz GHSQPSXTNNGASP-VVLHAWIVSA-N 2 0 430.571 -1.176 20 0 IAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457399 1068353175 /nfs/dbraw/zinc/35/31/75/1068353175.db2.gz GHSQPSXTNNGASP-WCXIOVBPSA-N 2 0 430.571 -1.176 20 0 IAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457412 1068353775 /nfs/dbraw/zinc/35/37/75/1068353775.db2.gz GRVPOSCDNDJJDQ-APIJFGDWSA-N 2 0 434.584 -1.874 20 0 IAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457413 1068353606 /nfs/dbraw/zinc/35/36/06/1068353606.db2.gz GRVPOSCDNDJJDQ-LJISPDSOSA-N 2 0 434.584 -1.874 20 0 IAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457996 1068354526 /nfs/dbraw/zinc/35/45/26/1068354526.db2.gz KQNNBDZJGZPJHD-MWDXBVQZSA-N 2 0 430.571 -1.047 20 0 IAADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457997 1068354242 /nfs/dbraw/zinc/35/42/42/1068354242.db2.gz KQNNBDZJGZPJHD-YLFCFFPRSA-N 2 0 430.571 -1.047 20 0 IAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458278 1068354290 /nfs/dbraw/zinc/35/42/90/1068354290.db2.gz MKOROWMEPYDXHL-KLHDSHLOSA-N 2 0 426.539 -2.084 20 0 IAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458279 1068354444 /nfs/dbraw/zinc/35/44/44/1068354444.db2.gz MKOROWMEPYDXHL-LVQVYYBASA-N 2 0 426.539 -2.084 20 0 IAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458280 1068354573 /nfs/dbraw/zinc/35/45/73/1068354573.db2.gz MKOROWMEPYDXHL-XUWVNRHRSA-N 2 0 426.539 -2.084 20 0 IAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458281 1068355247 /nfs/dbraw/zinc/35/52/47/1068355247.db2.gz MKOROWMEPYDXHL-ZJIFWQFVSA-N 2 0 426.539 -2.084 20 0 IAADRP O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]21)N1CCOCC1 ZINC001159459332 1068356046 /nfs/dbraw/zinc/35/60/46/1068356046.db2.gz YIIZRXLINFIXKG-FLXNRXMOSA-N 2 0 440.566 -1.694 20 0 IAADRP O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]21)N1CCOCC1 ZINC001159459333 1068356860 /nfs/dbraw/zinc/35/68/60/1068356860.db2.gz YIIZRXLINFIXKG-QRXRQMIZSA-N 2 0 440.566 -1.694 20 0 IAADRP 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 1068356973 /nfs/dbraw/zinc/35/69/73/1068356973.db2.gz FLJRBZAUKVHGBD-ZFWWWQNUSA-N 2 0 435.529 -1.477 20 0 IAADRP 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 1068357422 /nfs/dbraw/zinc/35/74/22/1068357422.db2.gz RBGDFLUODMLEKY-GOEBONIOSA-N 2 0 449.556 -1.087 20 0 IAADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530743 1068358072 /nfs/dbraw/zinc/35/80/72/1068358072.db2.gz XVPFIDCUTSGDND-HKUYNNGSSA-N 2 0 449.600 -1.055 20 0 IAADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530744 1068358154 /nfs/dbraw/zinc/35/81/54/1068358154.db2.gz XVPFIDCUTSGDND-IEBWSBKVSA-N 2 0 449.600 -1.055 20 0 IAADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530745 1068358452 /nfs/dbraw/zinc/35/84/52/1068358452.db2.gz XVPFIDCUTSGDND-MJGOQNOKSA-N 2 0 449.600 -1.055 20 0 IAADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530746 1068358228 /nfs/dbraw/zinc/35/82/28/1068358228.db2.gz XVPFIDCUTSGDND-PKOBYXMFSA-N 2 0 449.600 -1.055 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159550036 1068359254 /nfs/dbraw/zinc/35/92/54/1068359254.db2.gz VDFVAPKPFCAAQQ-UHFFFAOYSA-N 2 0 448.528 -2.435 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159581905 1068359266 /nfs/dbraw/zinc/35/92/66/1068359266.db2.gz AYJFLBFOSKSLES-LRDDRELGSA-N 2 0 444.540 -1.075 20 0 IAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595787 1068359804 /nfs/dbraw/zinc/35/98/04/1068359804.db2.gz USSFIDYAUNEZNQ-WWNBULGVSA-N 2 0 433.534 -1.226 20 0 IAADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595788 1068359638 /nfs/dbraw/zinc/35/96/38/1068359638.db2.gz USSFIDYAUNEZNQ-YLAKUSLOSA-N 2 0 433.534 -1.226 20 0 IAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599429 1068359781 /nfs/dbraw/zinc/35/97/81/1068359781.db2.gz MGWLPNFJCUGURR-CVYDXHPNSA-N 2 0 441.579 -1.015 20 0 IAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159607506 1068359997 /nfs/dbraw/zinc/35/99/97/1068359997.db2.gz AMIDWLPTIQNOBV-INIZCTEOSA-N 2 0 441.598 -1.540 20 0 IAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001159607512 1068359931 /nfs/dbraw/zinc/35/99/31/1068359931.db2.gz AMIDWLPTIQNOBV-MRXNPFEDSA-N 2 0 441.598 -1.540 20 0 IAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159607559 1068359744 /nfs/dbraw/zinc/35/97/44/1068359744.db2.gz BAMSXVAEQUINCE-KRWDZBQOSA-N 2 0 434.585 -1.201 20 0 IAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159607566 1068360941 /nfs/dbraw/zinc/36/09/41/1068360941.db2.gz BAMSXVAEQUINCE-QGZVFWFLSA-N 2 0 434.585 -1.201 20 0 IAADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159609570 1068360453 /nfs/dbraw/zinc/36/04/53/1068360453.db2.gz IJKYOATYMLEJBO-UHFFFAOYSA-N 2 0 432.591 -2.097 20 0 IAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159611084 1068360773 /nfs/dbraw/zinc/36/07/73/1068360773.db2.gz WQCNVSPQBGKCDJ-INIZCTEOSA-N 2 0 428.603 -1.163 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159611319 1068360656 /nfs/dbraw/zinc/36/06/56/1068360656.db2.gz YMFOWUCBNLBVOZ-GJZGRUSLSA-N 2 0 439.561 -2.609 20 0 IAADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC[C@@H]2C1 ZINC001159634770 1068360717 /nfs/dbraw/zinc/36/07/17/1068360717.db2.gz CZRRMGPJFOAUQX-HUUCEWRRSA-N 2 0 442.517 -3.511 20 0 IAADRP 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 1068361170 /nfs/dbraw/zinc/36/11/70/1068361170.db2.gz WEGTXYXANAWKIJ-XWTMOSNGSA-N 2 0 439.557 -1.364 20 0 IAADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159652644 1068361296 /nfs/dbraw/zinc/36/12/96/1068361296.db2.gz HLKSZMBQCXRKDG-DENIHFKCSA-N 2 0 443.552 -1.002 20 0 IAADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159652645 1068361779 /nfs/dbraw/zinc/36/17/79/1068361779.db2.gz HLKSZMBQCXRKDG-KNQAVFIVSA-N 2 0 443.552 -1.002 20 0 IAADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159652646 1068361891 /nfs/dbraw/zinc/36/18/91/1068361891.db2.gz HLKSZMBQCXRKDG-SIKLNZKXSA-N 2 0 443.552 -1.002 20 0 IAADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159652647 1068362201 /nfs/dbraw/zinc/36/22/01/1068362201.db2.gz HLKSZMBQCXRKDG-UGKGYDQZSA-N 2 0 443.552 -1.002 20 0 IAADRP 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 1068362081 /nfs/dbraw/zinc/36/20/81/1068362081.db2.gz QFLNCWKCULPVQP-DZJNRPSUSA-N 2 0 432.525 -1.019 20 0 IAADRP 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 1068361755 /nfs/dbraw/zinc/36/17/55/1068361755.db2.gz QFLNCWKCULPVQP-DZOHQFGASA-N 2 0 432.525 -1.019 20 0 IAADRP 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 1068362102 /nfs/dbraw/zinc/36/21/02/1068362102.db2.gz QFLNCWKCULPVQP-LEUOFYLZSA-N 2 0 432.525 -1.019 20 0 IAADRP 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 1068361958 /nfs/dbraw/zinc/36/19/58/1068361958.db2.gz QFLNCWKCULPVQP-XOYOTBSWSA-N 2 0 432.525 -1.019 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712749 1068362765 /nfs/dbraw/zinc/36/27/65/1068362765.db2.gz RGXGHVJPNWEPNO-GRGSLBFTSA-N 2 0 431.541 -1.037 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159712760 1068362830 /nfs/dbraw/zinc/36/28/30/1068362830.db2.gz RGXGHVJPNWEPNO-UDTPNQRGSA-N 2 0 431.541 -1.037 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159712761 1068362652 /nfs/dbraw/zinc/36/26/52/1068362652.db2.gz RGXGHVJPNWEPNO-WQANXHIZSA-N 2 0 431.541 -1.037 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159712762 1068362753 /nfs/dbraw/zinc/36/27/53/1068362753.db2.gz RGXGHVJPNWEPNO-ZWQIFLOQSA-N 2 0 431.541 -1.037 20 0 IAADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C3)O2)CC1 ZINC001159758686 1068363672 /nfs/dbraw/zinc/36/36/72/1068363672.db2.gz QGHIEHYJROWEHH-IEBWSBKVSA-N 2 0 431.603 -1.006 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001159758912 1068363286 /nfs/dbraw/zinc/36/32/86/1068363286.db2.gz UUDDJCAYJCCHHX-GRXQJBFDSA-N 2 0 438.573 -1.519 20 0 IAADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001159929702 1068364820 /nfs/dbraw/zinc/36/48/20/1068364820.db2.gz JOPBUMVOXOHQCQ-LWYYNNOASA-N 2 0 433.553 -1.024 20 0 IAADRP Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059018 1068365559 /nfs/dbraw/zinc/36/55/59/1068365559.db2.gz OEDGGMOIAJZXCJ-KZDUYQQSSA-N 2 0 433.513 -1.263 20 0 IAADRP Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059019 1068365187 /nfs/dbraw/zinc/36/51/87/1068365187.db2.gz OEDGGMOIAJZXCJ-LDNFRZNASA-N 2 0 433.513 -1.263 20 0 IAADRP Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059020 1068365489 /nfs/dbraw/zinc/36/54/89/1068365489.db2.gz OEDGGMOIAJZXCJ-VPCSNGCSSA-N 2 0 433.513 -1.263 20 0 IAADRP Cc1ccc(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160059022 1068365348 /nfs/dbraw/zinc/36/53/48/1068365348.db2.gz OEDGGMOIAJZXCJ-YYQBIWNASA-N 2 0 433.513 -1.263 20 0 IAADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]([NH3+])CN4CCC([NH3+])CC4)CC[C@@H]32)cn1 ZINC001160087111 1068366014 /nfs/dbraw/zinc/36/60/14/1068366014.db2.gz YBVQTPKGDDKVSJ-DSLXNQLJSA-N 2 0 433.557 -1.236 20 0 IAADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]([NH3+])CN4CCC([NH3+])CC4)CC[C@@H]32)cn1 ZINC001160087112 1068366175 /nfs/dbraw/zinc/36/61/75/1068366175.db2.gz YBVQTPKGDDKVSJ-GDAAHCPNSA-N 2 0 433.557 -1.236 20 0 IAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345644 1068370740 /nfs/dbraw/zinc/37/07/40/1068370740.db2.gz XKNKENYMWXVYQT-CRAIPNDOSA-N 2 0 441.540 -1.188 20 0 IAADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345645 1068370572 /nfs/dbraw/zinc/37/05/72/1068370572.db2.gz XKNKENYMWXVYQT-MAUKXSAKSA-N 2 0 441.540 -1.188 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160345646 1068370418 /nfs/dbraw/zinc/37/04/18/1068370418.db2.gz XKNKENYMWXVYQT-QAPCUYQASA-N 2 0 441.540 -1.188 20 0 IAADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160345647 1068370615 /nfs/dbraw/zinc/37/06/15/1068370615.db2.gz XKNKENYMWXVYQT-YJBOKZPZSA-N 2 0 441.540 -1.188 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCCn2cnc(COCC[NH+](C)C)c2C1)C(N)=O ZINC001160371915 1068371172 /nfs/dbraw/zinc/37/11/72/1068371172.db2.gz NPSRNIYTRVJCKY-LSDHHAIUSA-N 2 0 437.545 -1.209 20 0 IAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160380638 1068371206 /nfs/dbraw/zinc/37/12/06/1068371206.db2.gz HZKAVSLYIJYUPE-HNNXBMFYSA-N 2 0 435.529 -1.322 20 0 IAADRP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001160380640 1068371574 /nfs/dbraw/zinc/37/15/74/1068371574.db2.gz HZKAVSLYIJYUPE-OAHLLOKOSA-N 2 0 435.529 -1.322 20 0 IAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160404917 1068371988 /nfs/dbraw/zinc/37/19/88/1068371988.db2.gz DKNRRYAYERIIDW-KRWDZBQOSA-N 2 0 443.556 -1.318 20 0 IAADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001160404920 1068372147 /nfs/dbraw/zinc/37/21/47/1068372147.db2.gz DKNRRYAYERIIDW-QGZVFWFLSA-N 2 0 443.556 -1.318 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1)C(N)=O ZINC001160407685 1068372722 /nfs/dbraw/zinc/37/27/22/1068372722.db2.gz AXQHGNWKMGHZBI-UONOGXRCSA-N 2 0 443.512 -1.203 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408132 1068372825 /nfs/dbraw/zinc/37/28/25/1068372825.db2.gz ITTRUMDDJJIWBZ-STQMWFEESA-N 2 0 429.485 -1.593 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)NCC(N)=O ZINC001160626799 1068375065 /nfs/dbraw/zinc/37/50/65/1068375065.db2.gz BFBIYXLFKARXHJ-FAPUVCABSA-N 2 0 436.557 -1.691 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)NCC(N)=O ZINC001160626891 1068375216 /nfs/dbraw/zinc/37/52/16/1068375216.db2.gz CDMKRIXGVJJNCT-IHRRRGAJSA-N 2 0 430.575 -1.871 20 0 IAADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628938 1068375425 /nfs/dbraw/zinc/37/54/25/1068375425.db2.gz MIHJHWHQHJLRJW-JYJNAYRXSA-N 2 0 426.562 -1.173 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O ZINC001160629544 1068376102 /nfs/dbraw/zinc/37/61/02/1068376102.db2.gz UBESXNVAPIANHG-JYJNAYRXSA-N 2 0 426.562 -1.044 20 0 IAADRP 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 1068377577 /nfs/dbraw/zinc/37/75/77/1068377577.db2.gz AOMOTRGTAUJORC-GLRLOKQVSA-N 2 0 427.521 -1.092 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001160713959 1068377415 /nfs/dbraw/zinc/37/74/15/1068377415.db2.gz LHBLWYMAUVGAOM-UHFFFAOYSA-N 2 0 444.536 -1.657 20 0 IAADRP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160773044 1068378203 /nfs/dbraw/zinc/37/82/03/1068378203.db2.gz CHKOZGDTSLWLCQ-ILXRZTDVSA-N 2 0 444.554 -1.378 20 0 IAADRP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160773046 1068378532 /nfs/dbraw/zinc/37/85/32/1068378532.db2.gz CHKOZGDTSLWLCQ-KKUMJFAQSA-N 2 0 444.554 -1.378 20 0 IAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]1C2 ZINC001160795233 1068379171 /nfs/dbraw/zinc/37/91/71/1068379171.db2.gz USPZVLIPHNNZFU-VWQQLOEOSA-N 2 0 438.485 -3.849 20 0 IAADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])C[C@H]1C2 ZINC001160797058 1068378920 /nfs/dbraw/zinc/37/89/20/1068378920.db2.gz IBCUREPGZJHIPM-OLKYVISVSA-N 2 0 435.525 -1.702 20 0 IAADRP CCOC(=O)[C@]12CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160810843 1068378886 /nfs/dbraw/zinc/37/88/86/1068378886.db2.gz IELRFIMBBXDXMJ-KZULUSFZSA-N 2 0 426.474 -3.705 20 0 IAADRP CCOC(=O)[C@]12CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]1C[NH2+]CC2 ZINC001160814304 1068379348 /nfs/dbraw/zinc/37/93/48/1068379348.db2.gz YEKAQWCNSMMIIU-VIRVFLBCSA-N 2 0 448.520 -1.260 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@H]1C[NH+](C)C)C(=O)CF ZINC001160837619 1068379272 /nfs/dbraw/zinc/37/92/72/1068379272.db2.gz CKWQBEQMRCOHEE-KRXQYRFLSA-N 2 0 445.536 -1.323 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@@H]1C[NH+](C)C)C(=O)CF ZINC001160837620 1068378957 /nfs/dbraw/zinc/37/89/57/1068378957.db2.gz CKWQBEQMRCOHEE-XSWJXKHESA-N 2 0 445.536 -1.323 20 0 IAADRP C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001160958068 1068380763 /nfs/dbraw/zinc/38/07/63/1068380763.db2.gz XCXLRJSKANHOSH-WMZOPIPTSA-N 2 0 446.552 -1.337 20 0 IAADRP CC[NH+]1CCC(CC2CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)CC1 ZINC001161045272 1068381075 /nfs/dbraw/zinc/38/10/75/1068381075.db2.gz AOPVSCXBVYHHJN-UHFFFAOYSA-N 2 0 438.573 -1.346 20 0 IAADRP [NH3+][C@@H](Cn1cccn1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117501 1068381783 /nfs/dbraw/zinc/38/17/83/1068381783.db2.gz LXKKZVVXZZXSQJ-JYJNAYRXSA-N 2 0 425.484 -1.047 20 0 IAADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118252 1068381686 /nfs/dbraw/zinc/38/16/86/1068381686.db2.gz DGWKCFGKYXXENK-DZKIICNBSA-N 2 0 440.495 -1.793 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118253 1068381923 /nfs/dbraw/zinc/38/19/23/1068381923.db2.gz DGWKCFGKYXXENK-OFQRWUPVSA-N 2 0 440.495 -1.793 20 0 IAADRP [NH3+]CCNC(=O)/C=C/C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118535 1068381866 /nfs/dbraw/zinc/38/18/66/1068381866.db2.gz HBGAAWLTOWMHNK-QJVFMVDXSA-N 2 0 428.484 -1.640 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118893 1068381584 /nfs/dbraw/zinc/38/15/84/1068381584.db2.gz IIZBFJCQFHHIJV-HRCADAONSA-N 2 0 442.511 -1.941 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118894 1068381405 /nfs/dbraw/zinc/38/14/05/1068381405.db2.gz IIZBFJCQFHHIJV-JYJNAYRXSA-N 2 0 442.511 -1.941 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118904 1068381702 /nfs/dbraw/zinc/38/17/02/1068381702.db2.gz IVEGRJSXTVOSCF-NHAYFPRASA-N 3 0 440.539 -1.072 20 0 IAADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118937 1068381885 /nfs/dbraw/zinc/38/18/85/1068381885.db2.gz JVAKSLVTPRDORA-KKUMJFAQSA-N 2 0 445.515 -1.496 20 0 IAADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161118938 1068381493 /nfs/dbraw/zinc/38/14/93/1068381493.db2.gz JVAKSLVTPRDORA-ZNMIVQPWSA-N 2 0 445.515 -1.496 20 0 IAADRP CCOC(=O)C1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[NH2+]C1 ZINC001161119215 1068382378 /nfs/dbraw/zinc/38/23/78/1068382378.db2.gz MGPNSRHIENVRFR-GJZGRUSLSA-N 2 0 443.495 -1.119 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CCN4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119262 1068382418 /nfs/dbraw/zinc/38/24/18/1068382418.db2.gz OJZIJYJVGSJRJA-NARAOEGZSA-N 2 0 426.512 -1.320 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CCN4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119263 1068382190 /nfs/dbraw/zinc/38/21/90/1068382190.db2.gz OJZIJYJVGSJRJA-OLPIVMHESA-N 2 0 426.512 -1.320 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCN4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119264 1068382156 /nfs/dbraw/zinc/38/21/56/1068382156.db2.gz OJZIJYJVGSJRJA-ULMVMLMRSA-N 2 0 426.512 -1.320 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119265 1068382484 /nfs/dbraw/zinc/38/24/84/1068382484.db2.gz OJZIJYJVGSJRJA-ZKNHNOBHSA-N 2 0 426.512 -1.320 20 0 IAADRP O=C([C@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119281 1068382519 /nfs/dbraw/zinc/38/25/19/1068382519.db2.gz PAPXNQGLXVNAMU-BQJWPVKWSA-N 2 0 427.496 -1.037 20 0 IAADRP [NH3+]CCOCCOCC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119285 1068382265 /nfs/dbraw/zinc/38/22/65/1068382265.db2.gz PDACHQROBIBOPG-HOTGVXAUSA-N 2 0 433.500 -1.279 20 0 IAADRP NC(=O)CC[C@H]([NH3+])CC(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119292 1068382542 /nfs/dbraw/zinc/38/25/42/1068382542.db2.gz PPQAGUCSMMXXDS-KKUMJFAQSA-N 2 0 430.500 -1.288 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119633 1068382091 /nfs/dbraw/zinc/38/20/91/1068382091.db2.gz RGALXJPTOCPGOB-JYJNAYRXSA-N 3 0 426.512 -1.462 20 0 IAADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119634 1068382123 /nfs/dbraw/zinc/38/21/23/1068382123.db2.gz RGALXJPTOCPGOB-XHSDSOJGSA-N 3 0 426.512 -1.462 20 0 IAADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119916 1068382361 /nfs/dbraw/zinc/38/23/61/1068382361.db2.gz UJJXCCPOHBCHQS-ZQDZILKHSA-N 2 0 426.468 -1.297 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161120144 1068383004 /nfs/dbraw/zinc/38/30/04/1068383004.db2.gz ZQFVUAWHPOKZIG-FPXQBCRKSA-N 2 0 427.496 -1.035 20 0 IAADRP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161120147 1068383101 /nfs/dbraw/zinc/38/31/01/1068383101.db2.gz ZXDXRYXXUWFYSE-QUSNUVHPSA-N 2 0 426.512 -1.321 20 0 IAADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122637 1068382878 /nfs/dbraw/zinc/38/28/78/1068382878.db2.gz DOMUGUTXKMBVOC-KKUMJFAQSA-N 3 0 434.557 -1.252 20 0 IAADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161122730 1068382917 /nfs/dbraw/zinc/38/29/17/1068382917.db2.gz HSNBGCLVQBNRIU-JYJNAYRXSA-N 2 0 442.511 -1.403 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123005 1068383164 /nfs/dbraw/zinc/38/31/64/1068383164.db2.gz NVQLTIGTFNHZEF-AJNGGQMLSA-N 2 0 430.500 -1.419 20 0 IAADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123156 1068382699 /nfs/dbraw/zinc/38/26/99/1068382699.db2.gz PLIIZHGVANCFFE-LMAOXAQZSA-N 2 0 435.541 -1.175 20 0 IAADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161123163 1068382723 /nfs/dbraw/zinc/38/27/23/1068382723.db2.gz PLIIZHGVANCFFE-RQUCRVAKSA-N 2 0 435.541 -1.175 20 0 IAADRP 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 1068382768 /nfs/dbraw/zinc/38/27/68/1068382768.db2.gz RLCZLDMTGGAFBC-ULQDDVLXSA-N 2 0 428.528 -1.026 20 0 IAADRP 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 1068382824 /nfs/dbraw/zinc/38/28/24/1068382824.db2.gz RLCZLDMTGGAFBC-YESZJQIVSA-N 2 0 428.528 -1.026 20 0 IAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124475 1068382937 /nfs/dbraw/zinc/38/29/37/1068382937.db2.gz WQUVQEOGEXIWDE-AJNGGQMLSA-N 2 0 446.499 -2.447 20 0 IAADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124840 1068383062 /nfs/dbraw/zinc/38/30/62/1068383062.db2.gz YVBITVCPRKNFPP-JYJNAYRXSA-N 2 0 442.511 -1.322 20 0 IAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124878 1068383042 /nfs/dbraw/zinc/38/30/42/1068383042.db2.gz ZVUPIISETZWZCV-LUKYLMHMSA-N 2 0 443.495 -1.120 20 0 IAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124879 1068383949 /nfs/dbraw/zinc/38/39/49/1068383949.db2.gz ZVUPIISETZWZCV-QAETUUGQSA-N 2 0 443.495 -1.120 20 0 IAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124880 1068383824 /nfs/dbraw/zinc/38/38/24/1068383824.db2.gz ZVUPIISETZWZCV-VVLHAWIVSA-N 2 0 443.495 -1.120 20 0 IAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124881 1068383351 /nfs/dbraw/zinc/38/33/51/1068383351.db2.gz ZVUPIISETZWZCV-YVSFHVDLSA-N 2 0 443.495 -1.120 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)c2nonc21 ZINC001161154382 1068383657 /nfs/dbraw/zinc/38/36/57/1068383657.db2.gz YWPMKPOZFPIDBX-CYBMUJFWSA-N 2 0 449.537 -1.069 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)c2nonc21 ZINC001161154384 1068383966 /nfs/dbraw/zinc/38/39/66/1068383966.db2.gz YWPMKPOZFPIDBX-ZDUSSCGKSA-N 2 0 449.537 -1.069 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1)C(N)=O ZINC001161197856 1068384433 /nfs/dbraw/zinc/38/44/33/1068384433.db2.gz HFPQCJBPUMWTCL-FUHWJXTLSA-N 2 0 440.589 -1.366 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198791 1068384739 /nfs/dbraw/zinc/38/47/39/1068384739.db2.gz YIGOHXRWMBAASY-RDJZCZTQSA-N 2 0 426.562 -1.756 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321829 1068385497 /nfs/dbraw/zinc/38/54/97/1068385497.db2.gz QLWQUYSAXAYEEE-HDJSIYSDSA-N 2 0 426.518 -2.429 20 0 IAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001161360356 1068385561 /nfs/dbraw/zinc/38/55/61/1068385561.db2.gz ZRXXBAPTSRQVFI-WFASDCNBSA-N 2 0 425.511 -1.344 20 0 IAADRP COc1ccnc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CC[NH2+]CC2)c1 ZINC001161386221 1068385303 /nfs/dbraw/zinc/38/53/03/1068385303.db2.gz OGNAOQVXIKVJLH-UHFFFAOYSA-N 2 0 435.485 -2.518 20 0 IAADRP COc1cc(N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2CC[NH2+]CC2)ccn1 ZINC001161386304 1068386013 /nfs/dbraw/zinc/38/60/13/1068386013.db2.gz PMIHUNNLRFRBSR-UHFFFAOYSA-N 2 0 435.485 -2.518 20 0 IAADRP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448511 1068385856 /nfs/dbraw/zinc/38/58/56/1068385856.db2.gz DLVSTZNJNTYBJS-JKQORVJESA-N 2 0 426.562 -1.337 20 0 IAADRP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448512 1068385960 /nfs/dbraw/zinc/38/59/60/1068385960.db2.gz DLVSTZNJNTYBJS-QBYUYEEZSA-N 2 0 426.562 -1.337 20 0 IAADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001161483303 1068386497 /nfs/dbraw/zinc/38/64/97/1068386497.db2.gz ZBLOJURHHHSGKK-IAGYGMIVSA-N 2 0 434.493 -1.507 20 0 IAADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001161483306 1068386578 /nfs/dbraw/zinc/38/65/78/1068386578.db2.gz ZBLOJURHHHSGKK-NWZZKEMCSA-N 2 0 434.493 -1.507 20 0 IAADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001161483308 1068386713 /nfs/dbraw/zinc/38/67/13/1068386713.db2.gz ZBLOJURHHHSGKK-OPOADAIRSA-N 2 0 434.493 -1.507 20 0 IAADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CC2 ZINC001161483311 1068386812 /nfs/dbraw/zinc/38/68/12/1068386812.db2.gz ZBLOJURHHHSGKK-ZGPJWRFFSA-N 2 0 434.493 -1.507 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508216 1068387123 /nfs/dbraw/zinc/38/71/23/1068387123.db2.gz CDEYAPNECSHXIK-LNLFQRSKSA-N 2 0 431.537 -1.001 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508217 1068387349 /nfs/dbraw/zinc/38/73/49/1068387349.db2.gz CDEYAPNECSHXIK-SCTDSRPQSA-N 2 0 431.537 -1.001 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]([NH3+])C2(COC2)C1)C(=O)CF ZINC001161508336 1068387444 /nfs/dbraw/zinc/38/74/44/1068387444.db2.gz DKAMQHZGSWPLAN-DUPGQFARSA-N 2 0 429.493 -1.926 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C(=O)CF ZINC001161508339 1068387200 /nfs/dbraw/zinc/38/72/00/1068387200.db2.gz DKAMQHZGSWPLAN-GMZLATJGSA-N 2 0 429.493 -1.926 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001161583068 1068387412 /nfs/dbraw/zinc/38/74/12/1068387412.db2.gz RAOGXQNATUQUPP-UHFFFAOYSA-N 2 0 430.509 -2.043 20 0 IAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1nccc(N2CCC([NH3+])CC2)n1 ZINC001162845295 1068392576 /nfs/dbraw/zinc/39/25/76/1068392576.db2.gz OPPXDLYITOEKBD-HOTGVXAUSA-N 2 0 427.513 -1.064 20 0 IAADRP C[NH+]1CCN(c2nccc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)n2)CC1 ZINC001162845724 1068393383 /nfs/dbraw/zinc/39/33/83/1068393383.db2.gz OWUFWBGTBHVVTB-HOTGVXAUSA-N 2 0 427.513 -1.240 20 0 IAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001162846144 1068393856 /nfs/dbraw/zinc/39/38/56/1068393856.db2.gz XUSOBXRDCGBZJE-IRXDYDNUSA-N 2 0 440.508 -1.341 20 0 IAADRP Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1F ZINC001163437997 1068393530 /nfs/dbraw/zinc/39/35/30/1068393530.db2.gz BKSIPNZDUVDGSJ-GJZGRUSLSA-N 2 0 448.503 -1.200 20 0 IAADRP Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)cc1C ZINC001163438067 1068393747 /nfs/dbraw/zinc/39/37/47/1068393747.db2.gz CTVFRRXBEXPYSY-IRXDYDNUSA-N 2 0 444.540 -1.031 20 0 IAADRP Cc1nnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163438293 1068393648 /nfs/dbraw/zinc/39/36/48/1068393648.db2.gz FXSBQLVDNRRVPW-GJZGRUSLSA-N 2 0 446.516 -2.241 20 0 IAADRP CCc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163438296 1068393466 /nfs/dbraw/zinc/39/34/66/1068393466.db2.gz FZYIMCKCVMVDTL-HOTGVXAUSA-N 2 0 445.528 -1.690 20 0 IAADRP Cc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1F ZINC001163438419 1068393425 /nfs/dbraw/zinc/39/34/25/1068393425.db2.gz BOTOVZJUFWYRKI-HOTGVXAUSA-N 2 0 448.503 -1.200 20 0 IAADRP CCc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438450 1068393712 /nfs/dbraw/zinc/39/37/12/1068393712.db2.gz BWCFIMXAHJIAEM-HOTGVXAUSA-N 2 0 445.528 -1.690 20 0 IAADRP Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(F)c1 ZINC001163438473 1068393615 /nfs/dbraw/zinc/39/36/15/1068393615.db2.gz CGLBNXFAPPESAL-HOTGVXAUSA-N 2 0 448.503 -1.200 20 0 IAADRP Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)cn1 ZINC001163438504 1068393447 /nfs/dbraw/zinc/39/34/47/1068393447.db2.gz CPYZXGWURNAVGA-GJZGRUSLSA-N 2 0 431.501 -1.944 20 0 IAADRP COc1cc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncn1 ZINC001163438540 1068394206 /nfs/dbraw/zinc/39/42/06/1068394206.db2.gz DPURORRMDYHLQR-KBPBESRZSA-N 2 0 447.500 -2.244 20 0 IAADRP COc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438733 1068394240 /nfs/dbraw/zinc/39/42/40/1068394240.db2.gz GBSUYFNCXPQVJK-KBPBESRZSA-N 2 0 447.500 -2.244 20 0 IAADRP CCc1nccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438754 1068394425 /nfs/dbraw/zinc/39/44/25/1068394425.db2.gz LWKKLDXEZLMKSB-GJZGRUSLSA-N 2 0 445.528 -1.690 20 0 IAADRP Cc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163438884 1068394176 /nfs/dbraw/zinc/39/41/76/1068394176.db2.gz HUMLWISDUZMJOC-IRXDYDNUSA-N 2 0 444.540 -1.031 20 0 IAADRP C=Cc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1 ZINC001163438886 1068394725 /nfs/dbraw/zinc/39/47/25/1068394725.db2.gz OEFMXRFIMVLBIG-IRXDYDNUSA-N 2 0 442.524 -1.005 20 0 IAADRP Cc1cc(F)cnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163438901 1068394653 /nfs/dbraw/zinc/39/46/53/1068394653.db2.gz IAJRKFTTZNIAIS-HOTGVXAUSA-N 2 0 448.503 -1.200 20 0 IAADRP Cc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438940 1068394620 /nfs/dbraw/zinc/39/46/20/1068394620.db2.gz JLJOBXHZQYOUAF-GJZGRUSLSA-N 2 0 431.501 -1.944 20 0 IAADRP COc1cncc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163438954 1068394563 /nfs/dbraw/zinc/39/45/63/1068394563.db2.gz KOOXBDLVIFMLFU-KBPBESRZSA-N 2 0 447.500 -2.244 20 0 IAADRP Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ccc1F ZINC001163438962 1068394759 /nfs/dbraw/zinc/39/47/59/1068394759.db2.gz KUNHNOBXZBWRKV-HOTGVXAUSA-N 2 0 448.503 -1.200 20 0 IAADRP COc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439204 1068394273 /nfs/dbraw/zinc/39/42/73/1068394273.db2.gz LSDWVJBENJULFC-KBPBESRZSA-N 2 0 447.500 -2.244 20 0 IAADRP Cc1nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)ncc1F ZINC001163439207 1068394529 /nfs/dbraw/zinc/39/45/29/1068394529.db2.gz LUZTYSSHZQHRKO-GJZGRUSLSA-N 2 0 449.491 -1.805 20 0 IAADRP Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(C)c1 ZINC001163439300 1068394464 /nfs/dbraw/zinc/39/44/64/1068394464.db2.gz RJHUFDSSJHOPNP-IRXDYDNUSA-N 2 0 444.540 -1.031 20 0 IAADRP Cc1ccc(F)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439307 1068394313 /nfs/dbraw/zinc/39/43/13/1068394313.db2.gz MYHZCMPYNXIWLV-HOTGVXAUSA-N 2 0 448.503 -1.200 20 0 IAADRP Cc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nc1C ZINC001163439322 1068394138 /nfs/dbraw/zinc/39/41/38/1068394138.db2.gz NFRRYZVBZGLTHX-IRXDYDNUSA-N 2 0 444.540 -1.031 20 0 IAADRP CCc1ccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)nn1 ZINC001163439369 1068394351 /nfs/dbraw/zinc/39/43/51/1068394351.db2.gz SMKKXGYLHODZCT-HOTGVXAUSA-N 2 0 445.528 -1.690 20 0 IAADRP COc1cccc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439377 1068394495 /nfs/dbraw/zinc/39/44/95/1068394495.db2.gz NUXJBQCENCCGIB-GJZGRUSLSA-N 2 0 446.512 -1.639 20 0 IAADRP COc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439422 1068394592 /nfs/dbraw/zinc/39/45/92/1068394592.db2.gz OKKGZIXMBWHWMI-KBPBESRZSA-N 2 0 447.500 -2.244 20 0 IAADRP Cc1cc(C)nc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439461 1068394104 /nfs/dbraw/zinc/39/41/04/1068394104.db2.gz PIHVOMAALBISOC-HOTGVXAUSA-N 2 0 445.528 -1.636 20 0 IAADRP Cc1ncc(F)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439463 1068395032 /nfs/dbraw/zinc/39/50/32/1068395032.db2.gz PKBCAJXFCZHKOM-GJZGRUSLSA-N 2 0 449.491 -1.805 20 0 IAADRP Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439471 1068395375 /nfs/dbraw/zinc/39/53/75/1068395375.db2.gz PPIFONZPAQLZBZ-HOTGVXAUSA-N 2 0 430.513 -1.339 20 0 IAADRP Cc1cnnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439472 1068395182 /nfs/dbraw/zinc/39/51/82/1068395182.db2.gz PQAQLXMGVVGBAR-GJZGRUSLSA-N 2 0 431.501 -1.944 20 0 IAADRP COc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c1 ZINC001163439681 1068395221 /nfs/dbraw/zinc/39/52/21/1068395221.db2.gz RFUBXQXWADRTJS-HOTGVXAUSA-N 2 0 446.512 -1.639 20 0 IAADRP Cc1cnc(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)c(C)n1 ZINC001163439729 1068395253 /nfs/dbraw/zinc/39/52/53/1068395253.db2.gz RWPUYIFMGCWYPC-HOTGVXAUSA-N 2 0 445.528 -1.636 20 0 IAADRP COc1cccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439778 1068395407 /nfs/dbraw/zinc/39/54/07/1068395407.db2.gz UMRAVJONLXDCDT-GJZGRUSLSA-N 2 0 446.512 -1.639 20 0 IAADRP Cc1ncc(C)c(-n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)n1 ZINC001163439794 1068394895 /nfs/dbraw/zinc/39/48/95/1068394895.db2.gz VGAKBLYSRWLCGG-HOTGVXAUSA-N 2 0 445.528 -1.636 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncccc2F)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439821 1068395353 /nfs/dbraw/zinc/39/53/53/1068395353.db2.gz WGLYFOUVJOYBPP-GJZGRUSLSA-N 2 0 434.476 -1.509 20 0 IAADRP CCc1nccnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439823 1068394931 /nfs/dbraw/zinc/39/49/31/1068394931.db2.gz WHOPTGWZDDLVEX-HOCLYGCPSA-N 2 0 445.528 -1.690 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn(-c2cc(F)ccn2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001163439828 1068395152 /nfs/dbraw/zinc/39/51/52/1068395152.db2.gz WKMKJWJPJKNYOX-GJZGRUSLSA-N 2 0 434.476 -1.509 20 0 IAADRP Cc1ccnnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439841 1068395108 /nfs/dbraw/zinc/39/51/08/1068395108.db2.gz XGNUHYWJEIGQRX-GJZGRUSLSA-N 2 0 431.501 -1.944 20 0 IAADRP COc1cncnc1-n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001163439842 1068395286 /nfs/dbraw/zinc/39/52/86/1068395286.db2.gz XHRWJSPZKZTCDN-KBPBESRZSA-N 2 0 447.500 -2.244 20 0 IAADRP CS(=O)(=O)c1nc2c(c(-n3nc(C(=O)N4CCOCC4)c4c3C[NH2+]C4)n1)CC[NH2+]CC2 ZINC001165855710 1068395752 /nfs/dbraw/zinc/39/57/52/1068395752.db2.gz ZHBBITNKWCXFHS-UHFFFAOYSA-N 2 0 447.521 -1.170 20 0 IAADRP C[C@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105693 1067785840 /nfs/dbraw/zinc/78/58/40/1067785840.db2.gz ORBJOTIYNWKEBY-HJWJTTGWSA-N 2 0 437.545 -1.292 20 0 IAADRP C[C@@H]1C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105698 1067785953 /nfs/dbraw/zinc/78/59/53/1067785953.db2.gz ORBJOTIYNWKEBY-IWCQGFGOSA-N 2 0 437.545 -1.292 20 0 IAADRP C[C@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105703 1067785788 /nfs/dbraw/zinc/78/57/88/1067785788.db2.gz ORBJOTIYNWKEBY-ORQFMDKSSA-N 2 0 437.545 -1.292 20 0 IAADRP C[C@@H]1C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CCO1 ZINC001168105706 1067785939 /nfs/dbraw/zinc/78/59/39/1067785939.db2.gz ORBJOTIYNWKEBY-SIXLDLHFSA-N 2 0 437.545 -1.292 20 0 IAADRP Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001170389846 1068022551 /nfs/dbraw/zinc/02/25/51/1068022551.db2.gz FNZOJHXHACCMKV-BPTYRPCHSA-N 2 0 428.534 -1.248 20 0 IAADRP Cn1nc(N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001170389847 1068022778 /nfs/dbraw/zinc/02/27/78/1068022778.db2.gz FNZOJHXHACCMKV-KJZONOTRSA-N 2 0 428.534 -1.248 20 0 IAADRP Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001170389848 1068022527 /nfs/dbraw/zinc/02/25/27/1068022527.db2.gz FNZOJHXHACCMKV-SGUJONROSA-N 2 0 428.534 -1.248 20 0 IAADRP Cn1nc(N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])c(=O)n(C)c1=O ZINC001170389849 1068022611 /nfs/dbraw/zinc/02/26/11/1068022611.db2.gz FNZOJHXHACCMKV-ZBGLQNJCSA-N 2 0 428.534 -1.248 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCCOCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001170804863 1068038066 /nfs/dbraw/zinc/03/80/66/1068038066.db2.gz QHVORARIYLMMJC-IKGGRYGDSA-N 2 0 437.545 -1.290 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCCOCC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001170804864 1068037984 /nfs/dbraw/zinc/03/79/84/1068037984.db2.gz QHVORARIYLMMJC-ULQDDVLXSA-N 2 0 437.545 -1.290 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2C[C@H]3CC[C@@H](C2)O3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172225275 1068061708 /nfs/dbraw/zinc/06/17/08/1068061708.db2.gz GYFPDGINMXCTHO-KKGYMGPXSA-N 2 0 449.556 -1.149 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn(C2C[C@@H]3C=C[C@H](C2)O3)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001172238923 1068061761 /nfs/dbraw/zinc/06/17/61/1068061761.db2.gz XRIZQWDJODFMQB-KKGYMGPXSA-N 2 0 447.540 -1.373 20 0 IAADRP CC1(C)C[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001172279196 1068062257 /nfs/dbraw/zinc/06/22/57/1068062257.db2.gz GHZLNFADBFNDBG-JYJNAYRXSA-N 2 0 437.545 -1.292 20 0 IAADRP CC1(C)C[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CO1 ZINC001172279205 1068062369 /nfs/dbraw/zinc/06/23/69/1068062369.db2.gz GHZLNFADBFNDBG-PMPSAXMXSA-N 2 0 437.545 -1.292 20 0 IAADRP CCOCC[C@@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172421903 1068062287 /nfs/dbraw/zinc/06/22/87/1068062287.db2.gz BTEBRJUNWBCNIG-PVAVHDDUSA-N 2 0 439.561 -1.044 20 0 IAADRP CCOCC[C@H](C)n1cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172421906 1068062392 /nfs/dbraw/zinc/06/23/92/1068062392.db2.gz BTEBRJUNWBCNIG-XIRDDKMYSA-N 2 0 439.561 -1.044 20 0 IAADRP 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 1068063208 /nfs/dbraw/zinc/06/32/08/1068063208.db2.gz OTJBTWBVRGJAED-IKGGRYGDSA-N 3 0 436.561 -1.765 20 0 IAADRP 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 1068062950 /nfs/dbraw/zinc/06/29/50/1068062950.db2.gz OTJBTWBVRGJAED-ULQDDVLXSA-N 3 0 436.561 -1.765 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001180385912 1068074347 /nfs/dbraw/zinc/07/43/47/1068074347.db2.gz AUGXPLVRIFBTIR-DRNBVBJMSA-N 2 0 429.518 -1.166 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001180385916 1068074326 /nfs/dbraw/zinc/07/43/26/1068074326.db2.gz AUGXPLVRIFBTIR-HBRUNIRZSA-N 2 0 429.518 -1.166 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001180385918 1068074373 /nfs/dbraw/zinc/07/43/73/1068074373.db2.gz AUGXPLVRIFBTIR-LIHYCIDNSA-N 2 0 429.518 -1.166 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2C(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001180385919 1068074233 /nfs/dbraw/zinc/07/42/33/1068074233.db2.gz AUGXPLVRIFBTIR-QINXNJMQSA-N 2 0 429.518 -1.166 20 0 IAADRP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)CC12CCC[NH+]1CCC2 ZINC001181108753 1068077374 /nfs/dbraw/zinc/07/73/74/1068077374.db2.gz PRYQTBPDBALYRD-PCYKNENESA-N 2 0 433.469 -1.588 20 0 IAADRP 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 1068079232 /nfs/dbraw/zinc/07/92/32/1068079232.db2.gz GCEOPWLOFUAGRQ-VBVJRUAFSA-N 2 0 437.501 -1.095 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183732122 1068086705 /nfs/dbraw/zinc/08/67/05/1068086705.db2.gz SPGKLVYCMQAJRS-GCQCLRAASA-N 2 0 443.545 -1.713 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183732125 1068086649 /nfs/dbraw/zinc/08/66/49/1068086649.db2.gz SPGKLVYCMQAJRS-GHJQBBOJSA-N 2 0 443.545 -1.713 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183732127 1068086457 /nfs/dbraw/zinc/08/64/57/1068086457.db2.gz SPGKLVYCMQAJRS-LZBOESDWSA-N 2 0 443.545 -1.713 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183732128 1068086678 /nfs/dbraw/zinc/08/66/78/1068086678.db2.gz SPGKLVYCMQAJRS-VYVINXJXSA-N 2 0 443.545 -1.713 20 0 IAADRP C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)NC1=O ZINC001184073644 1068087659 /nfs/dbraw/zinc/08/76/59/1068087659.db2.gz CYFQXIAKVDEIAB-HOTGVXAUSA-N 2 0 436.557 -1.534 20 0 IAADRP C[NH+](C)Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)cc1 ZINC001187304747 1068104835 /nfs/dbraw/zinc/10/48/35/1068104835.db2.gz VVXONXMQJXZDJY-DZDCQFRTSA-N 2 0 443.464 -1.497 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217722104 1068398890 /nfs/dbraw/zinc/39/88/90/1068398890.db2.gz UEALSVWRCKTOPY-HNNXBMFYSA-N 2 0 429.481 -1.134 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC001217722105 1068398649 /nfs/dbraw/zinc/39/86/49/1068398649.db2.gz UEALSVWRCKTOPY-OAHLLOKOSA-N 2 0 429.481 -1.134 20 0 IAADRP Nc1cn(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001218619898 1068401681 /nfs/dbraw/zinc/40/16/81/1068401681.db2.gz DBVLIMZILWVYHB-HNNXBMFYSA-N 2 0 427.513 -1.119 20 0 IAADRP Nc1cn(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)ccc1=[NH+]CCN1CCOCC1 ZINC001218619908 1068401642 /nfs/dbraw/zinc/40/16/42/1068401642.db2.gz DBVLIMZILWVYHB-OAHLLOKOSA-N 2 0 427.513 -1.119 20 0 IAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218620949 1068401686 /nfs/dbraw/zinc/40/16/86/1068401686.db2.gz SWERLRYVFBSBJC-YJBOKZPZSA-N 2 0 447.540 -1.602 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnn(C2C[NH2+]C2)c1)C(=O)CF ZINC001218639705 1068404701 /nfs/dbraw/zinc/40/47/01/1068404701.db2.gz AVQXWMNURJELRJ-YLVFBTJISA-N 2 0 439.492 -1.133 20 0 IAADRP C[N@@H+]1C[C@@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)OC2(CC[NH2+]CC2)C1 ZINC001218770440 1068405355 /nfs/dbraw/zinc/40/53/55/1068405355.db2.gz GQMQGGLNNGBPKC-INIZCTEOSA-N 2 0 433.513 -1.088 20 0 IAADRP C[N@@H+]1C[C@H](C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)OC2(CC[NH2+]CC2)C1 ZINC001218770441 1068405463 /nfs/dbraw/zinc/40/54/63/1068405463.db2.gz GQMQGGLNNGBPKC-MRXNPFEDSA-N 2 0 433.513 -1.088 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775992 1068405452 /nfs/dbraw/zinc/40/54/52/1068405452.db2.gz JVZCPRVQWWOWOG-GRYCIOLGSA-N 2 0 444.945 -1.593 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775993 1068405370 /nfs/dbraw/zinc/40/53/70/1068405370.db2.gz JVZCPRVQWWOWOG-SDDRHHMPSA-N 2 0 444.945 -1.593 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775994 1068405283 /nfs/dbraw/zinc/40/52/83/1068405283.db2.gz JVZCPRVQWWOWOG-SRVKXCTJSA-N 2 0 444.945 -1.593 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775995 1068405582 /nfs/dbraw/zinc/40/55/82/1068405582.db2.gz JVZCPRVQWWOWOG-WOPDTQHZSA-N 2 0 444.945 -1.593 20 0 IAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777306 1068406164 /nfs/dbraw/zinc/40/61/64/1068406164.db2.gz OVCLKGCFIQKEMS-GHMZBOCLSA-N 2 0 435.938 -2.150 20 0 IAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777311 1068406131 /nfs/dbraw/zinc/40/61/31/1068406131.db2.gz OVCLKGCFIQKEMS-MNOVXSKESA-N 2 0 435.938 -2.150 20 0 IAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777312 1068406139 /nfs/dbraw/zinc/40/61/39/1068406139.db2.gz OVCLKGCFIQKEMS-QWRGUYRKSA-N 2 0 435.938 -2.150 20 0 IAADRP CS(=O)(=O)N(CC[NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777313 1068406117 /nfs/dbraw/zinc/40/61/17/1068406117.db2.gz OVCLKGCFIQKEMS-WDEREUQCSA-N 2 0 435.938 -2.150 20 0 IAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777941 1068406031 /nfs/dbraw/zinc/40/60/31/1068406031.db2.gz QYRLRKAATGAYSR-CYDGBPFRSA-N 2 0 425.921 -1.032 20 0 IAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777943 1068406149 /nfs/dbraw/zinc/40/61/49/1068406149.db2.gz QYRLRKAATGAYSR-QNWHQSFQSA-N 2 0 425.921 -1.032 20 0 IAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777945 1068406124 /nfs/dbraw/zinc/40/61/24/1068406124.db2.gz QYRLRKAATGAYSR-RNJOBUHISA-N 2 0 425.921 -1.032 20 0 IAADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777946 1068406064 /nfs/dbraw/zinc/40/60/64/1068406064.db2.gz QYRLRKAATGAYSR-ZDEQEGDKSA-N 2 0 425.921 -1.032 20 0 IAADRP Nc1ncn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778774 1068406857 /nfs/dbraw/zinc/40/68/57/1068406857.db2.gz JVQLBGPOYRAJAN-BNOWGMLFSA-N 3 0 426.953 -1.620 20 0 IAADRP Nc1ncn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778779 1068406762 /nfs/dbraw/zinc/40/67/62/1068406762.db2.gz JVQLBGPOYRAJAN-IACUBPJLSA-N 3 0 426.953 -1.620 20 0 IAADRP Nc1ncn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218778781 1068406687 /nfs/dbraw/zinc/40/66/87/1068406687.db2.gz JVQLBGPOYRAJAN-MRVWCRGKSA-N 3 0 426.953 -1.620 20 0 IAADRP Nc1ncn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218778783 1068406809 /nfs/dbraw/zinc/40/68/09/1068406809.db2.gz JVQLBGPOYRAJAN-YUTCNCBUSA-N 3 0 426.953 -1.620 20 0 IAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218779271 1068406792 /nfs/dbraw/zinc/40/67/92/1068406792.db2.gz VYHLORKPDJEIHQ-GRYCIOLGSA-N 2 0 431.950 -1.216 20 0 IAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218779286 1068406829 /nfs/dbraw/zinc/40/68/29/1068406829.db2.gz VYHLORKPDJEIHQ-SDDRHHMPSA-N 2 0 431.950 -1.216 20 0 IAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218779290 1068406702 /nfs/dbraw/zinc/40/67/02/1068406702.db2.gz VYHLORKPDJEIHQ-SRVKXCTJSA-N 2 0 431.950 -1.216 20 0 IAADRP CC(=O)NCSC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218779294 1068406641 /nfs/dbraw/zinc/40/66/41/1068406641.db2.gz VYHLORKPDJEIHQ-WOPDTQHZSA-N 2 0 431.950 -1.216 20 0 IAADRP Nc1ncn(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779508 1068407668 /nfs/dbraw/zinc/40/76/68/1068407668.db2.gz WOVXYSHPTRSDPE-AGIUHOORSA-N 2 0 425.921 -1.030 20 0 IAADRP Nc1ncn(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779511 1068407697 /nfs/dbraw/zinc/40/76/97/1068407697.db2.gz WOVXYSHPTRSDPE-AVGNSLFASA-N 2 0 425.921 -1.030 20 0 IAADRP Nc1ncn(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779514 1068407550 /nfs/dbraw/zinc/40/75/50/1068407550.db2.gz WOVXYSHPTRSDPE-FRRDWIJNSA-N 2 0 425.921 -1.030 20 0 IAADRP Nc1ncn(C(=O)CN2CCCC[C@H]([NH3+])C2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779518 1068407605 /nfs/dbraw/zinc/40/76/05/1068407605.db2.gz WOVXYSHPTRSDPE-RWMBFGLXSA-N 2 0 425.921 -1.030 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780229 1068407661 /nfs/dbraw/zinc/40/76/61/1068407661.db2.gz OCDRZXLVTYXJRK-AGIUHOORSA-N 2 0 437.932 -1.254 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218780233 1068407616 /nfs/dbraw/zinc/40/76/16/1068407616.db2.gz OCDRZXLVTYXJRK-AVGNSLFASA-N 2 0 437.932 -1.254 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780235 1068407537 /nfs/dbraw/zinc/40/75/37/1068407537.db2.gz OCDRZXLVTYXJRK-FRRDWIJNSA-N 2 0 437.932 -1.254 20 0 IAADRP Nc1ncn(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218780237 1068407647 /nfs/dbraw/zinc/40/76/47/1068407647.db2.gz OCDRZXLVTYXJRK-RWMBFGLXSA-N 2 0 437.932 -1.254 20 0 IAADRP Nc1ncn(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783619 1068407633 /nfs/dbraw/zinc/40/76/33/1068407633.db2.gz DKQQGLHUKWRLEX-GXTWGEPZSA-N 2 0 447.931 -1.122 20 0 IAADRP Nc1ncn(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783620 1068407572 /nfs/dbraw/zinc/40/75/72/1068407572.db2.gz DKQQGLHUKWRLEX-JSGCOSHPSA-N 2 0 447.931 -1.122 20 0 IAADRP Nc1ncn(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218783621 1068407639 /nfs/dbraw/zinc/40/76/39/1068407639.db2.gz DKQQGLHUKWRLEX-OCCSQVGLSA-N 2 0 447.931 -1.122 20 0 IAADRP Nc1ncn(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218783622 1068407594 /nfs/dbraw/zinc/40/75/94/1068407594.db2.gz DKQQGLHUKWRLEX-TZMCWYRMSA-N 2 0 447.931 -1.122 20 0 IAADRP CC[NH+]1CCN(Cc2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC001218846055 1068408447 /nfs/dbraw/zinc/40/84/47/1068408447.db2.gz OSFGTSIUGHELNT-UHFFFAOYSA-N 2 0 447.540 -1.930 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218860609 1068409324 /nfs/dbraw/zinc/40/93/24/1068409324.db2.gz GBGWTZJQOOSBJU-UHFFFAOYSA-N 2 0 434.497 -1.593 20 0 IAADRP C[NH+]1CCN(c2ccc(F)cc2NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001218861742 1068409239 /nfs/dbraw/zinc/40/92/39/1068409239.db2.gz OIATXQNWVCBVAZ-UHFFFAOYSA-N 2 0 437.476 -2.177 20 0 IAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1Cl ZINC001218876391 1068409127 /nfs/dbraw/zinc/40/91/27/1068409127.db2.gz HUTLWIYJCUTZMF-ZETCQYMHSA-N 2 0 431.949 -1.408 20 0 IAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1Cl ZINC001218877038 1068409406 /nfs/dbraw/zinc/40/94/06/1068409406.db2.gz OGXQBFMHMXPQNZ-GFCCVEGCSA-N 2 0 425.920 -1.100 20 0 IAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1Cl ZINC001218877039 1068409156 /nfs/dbraw/zinc/40/91/56/1068409156.db2.gz OGXQBFMHMXPQNZ-LBPRGKRZSA-N 2 0 425.920 -1.100 20 0 IAADRP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1Cl ZINC001218879252 1068410093 /nfs/dbraw/zinc/41/00/93/1068410093.db2.gz OSZLHBITYWASIV-XLKFXECMSA-N 2 0 437.931 -1.228 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595563 1068413019 /nfs/dbraw/zinc/41/30/19/1068413019.db2.gz FVLFMXJWGYGNAD-RDJZCZTQSA-N 2 0 441.554 -1.440 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CC[NH3+])S(C)(=O)=O)C(=O)CF ZINC001219595608 1068412782 /nfs/dbraw/zinc/41/27/82/1068412782.db2.gz HQEPPXTZBWEDAL-MJVIPROJSA-N 2 0 439.510 -2.365 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001219669181 1068412989 /nfs/dbraw/zinc/41/29/89/1068412989.db2.gz OOLJACBICJKTPF-UHFFFAOYSA-N 2 0 446.552 -1.635 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C(=O)CF ZINC001219736933 1068413824 /nfs/dbraw/zinc/41/38/24/1068413824.db2.gz LDCDVRZDQLOVGW-LOUJCGABSA-N 2 0 443.520 -1.617 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C(=O)CF ZINC001219736934 1068413845 /nfs/dbraw/zinc/41/38/45/1068413845.db2.gz LDCDVRZDQLOVGW-WSMBLCCSSA-N 2 0 443.520 -1.617 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219751327 1068413876 /nfs/dbraw/zinc/41/38/76/1068413876.db2.gz QDTOMJBGBCEKGE-GJZGRUSLSA-N 2 0 434.545 -1.213 20 0 IAADRP CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796410 1068414539 /nfs/dbraw/zinc/41/45/39/1068414539.db2.gz ZCOZYYLGRHHBSY-KKUMJFAQSA-N 2 0 438.573 -1.147 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2)C(=O)CF ZINC001219813580 1068414512 /nfs/dbraw/zinc/41/45/12/1068414512.db2.gz VSOJWGCXKNVTOD-YBLKDPSYSA-N 2 0 443.520 -1.760 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C(=O)CF ZINC001219831250 1068414589 /nfs/dbraw/zinc/41/45/89/1068414589.db2.gz CYRSLMMFIDTQSW-JRTIAUENSA-N 2 0 443.520 -1.619 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C(=O)CF ZINC001219847281 1068414575 /nfs/dbraw/zinc/41/45/75/1068414575.db2.gz BSCMQIJQTLZFFC-PNZLXGSGSA-N 2 0 443.520 -1.477 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(=O)CF ZINC001219856170 1068414400 /nfs/dbraw/zinc/41/44/00/1068414400.db2.gz AWPYRNHWKKNQTN-NWWFGVIVSA-N 2 0 429.493 -2.009 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856171 1068414530 /nfs/dbraw/zinc/41/45/30/1068414530.db2.gz AXLCCJVDXDQGMY-QTVCLEQKSA-N 2 0 431.537 -1.084 20 0 IAADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC001219938837 1068415235 /nfs/dbraw/zinc/41/52/35/1068415235.db2.gz GQOSIUVIBNZEEP-WFASDCNBSA-N 2 0 425.511 -1.108 20 0 IAADRP CS(=O)(=O)N(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(C[NH3+])cc1 ZINC001219938883 1068416189 /nfs/dbraw/zinc/41/61/89/1068416189.db2.gz IHEGFXRFROQUMI-UHFFFAOYSA-N 2 0 428.471 -3.255 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941234 1068416269 /nfs/dbraw/zinc/41/62/69/1068416269.db2.gz RVUREIWSSQXKLF-KRWDZBQOSA-N 2 0 432.525 -1.678 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001219941235 1068416050 /nfs/dbraw/zinc/41/60/50/1068416050.db2.gz RVUREIWSSQXKLF-QGZVFWFLSA-N 2 0 432.525 -1.678 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941342 1068416099 /nfs/dbraw/zinc/41/60/99/1068416099.db2.gz VRIKGDVNWQUZHU-UHFFFAOYSA-N 2 0 426.518 -2.555 20 0 IAADRP C[NH+]1CCN(c2cccc(CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c2)CC1 ZINC001219961700 1068416150 /nfs/dbraw/zinc/41/61/50/1068416150.db2.gz SQFDJBAPZJVJOE-UHFFFAOYSA-N 2 0 433.513 -2.638 20 0 IAADRP COC(=O)C1(NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC001220001209 1068416176 /nfs/dbraw/zinc/41/61/76/1068416176.db2.gz LQABCMMLIXGWNQ-GJZGRUSLSA-N 2 0 425.530 -1.203 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1cnc(C[NH3+])cc1=N)C(=O)CF ZINC001220020548 1068417160 /nfs/dbraw/zinc/41/71/60/1068417160.db2.gz MODVORBMQBYIES-PKWAYOAASA-N 2 0 425.465 -1.637 20 0 IAADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220043543 1068417233 /nfs/dbraw/zinc/41/72/33/1068417233.db2.gz VVMRLXJIHQKEBV-NKFCBESUSA-N 2 0 439.492 -1.329 20 0 IAADRP C[NH2+][C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121749 1068417997 /nfs/dbraw/zinc/41/79/97/1068417997.db2.gz AIHMXSQCIQUGCG-SDDRHHMPSA-N 2 0 439.473 -1.715 20 0 IAADRP C[NH2+][C@@H](C)C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121750 1068418017 /nfs/dbraw/zinc/41/80/17/1068418017.db2.gz AIHMXSQCIQUGCG-SRVKXCTJSA-N 2 0 439.473 -1.715 20 0 IAADRP C[NH2+]CCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121972 1068417809 /nfs/dbraw/zinc/41/78/09/1068417809.db2.gz CJWXKIYTDIQOJX-AAEUAGOBSA-N 2 0 439.473 -1.714 20 0 IAADRP C[NH2+]CCC(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001220121973 1068418036 /nfs/dbraw/zinc/41/80/36/1068418036.db2.gz CJWXKIYTDIQOJX-WCQYABFASA-N 2 0 439.473 -1.714 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)C[NH3+])c(N)nc2=O ZINC001220122261 1068417824 /nfs/dbraw/zinc/41/78/24/1068417824.db2.gz GTYZKLMNCUQTPQ-SDDRHHMPSA-N 2 0 439.473 -1.728 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)C[NH3+])c(N)nc2=O ZINC001220122262 1068417904 /nfs/dbraw/zinc/41/79/04/1068417904.db2.gz GTYZKLMNCUQTPQ-SRVKXCTJSA-N 2 0 439.473 -1.728 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[NH2+]1)c(N)nc2=O ZINC001220122576 1068418054 /nfs/dbraw/zinc/41/80/54/1068418054.db2.gz KSFVBJBOFHTPCW-SDDRHHMPSA-N 2 0 437.457 -1.961 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1CC[NH2+]1)c(N)nc2=O ZINC001220122577 1068417959 /nfs/dbraw/zinc/41/79/59/1068417959.db2.gz KSFVBJBOFHTPCW-SRVKXCTJSA-N 2 0 437.457 -1.961 20 0 IAADRP CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282188 1068418907 /nfs/dbraw/zinc/41/89/07/1068418907.db2.gz ICTULXYVDZNFNR-OAGGEKHMSA-N 2 0 425.507 -1.020 20 0 IAADRP CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282189 1068418844 /nfs/dbraw/zinc/41/88/44/1068418844.db2.gz ICTULXYVDZNFNR-XHSDSOJGSA-N 2 0 425.507 -1.020 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001220491604 1068421204 /nfs/dbraw/zinc/42/12/04/1068421204.db2.gz AEMJGKCETWCCAU-NNZMDNLPSA-N 2 0 444.536 -1.395 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)/C=C/C(=O)NCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220505561 1068421142 /nfs/dbraw/zinc/42/11/42/1068421142.db2.gz DWXYJHCCXNXFPR-AFYHHUIESA-N 3 0 429.562 -1.087 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)/C=C/C(=O)NCC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220505562 1068421120 /nfs/dbraw/zinc/42/11/20/1068421120.db2.gz DWXYJHCCXNXFPR-BGESRKTMSA-N 3 0 429.562 -1.087 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)/C=C/C(=O)NCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505563 1068421979 /nfs/dbraw/zinc/42/19/79/1068421979.db2.gz DWXYJHCCXNXFPR-OMTUUMTDSA-N 3 0 429.562 -1.087 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)/C=C/C(=O)NCC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220505564 1068421944 /nfs/dbraw/zinc/42/19/44/1068421944.db2.gz DWXYJHCCXNXFPR-VUSFKFIJSA-N 3 0 429.562 -1.087 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505812 1068421916 /nfs/dbraw/zinc/42/19/16/1068421916.db2.gz IHLNQYIYHKOXKH-AZQCWGKTSA-N 3 0 441.573 -1.240 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505813 1068422080 /nfs/dbraw/zinc/42/20/80/1068422080.db2.gz IHLNQYIYHKOXKH-JBFYSSMLSA-N 3 0 441.573 -1.240 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505814 1068422034 /nfs/dbraw/zinc/42/20/34/1068422034.db2.gz IHLNQYIYHKOXKH-QUNWLONJSA-N 3 0 441.573 -1.240 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505815 1068421991 /nfs/dbraw/zinc/42/19/91/1068421991.db2.gz IHLNQYIYHKOXKH-VWUKVRDISA-N 3 0 441.573 -1.240 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220507225 1068422118 /nfs/dbraw/zinc/42/21/18/1068422118.db2.gz UNYSTRJNPCKJPK-FLKCQLHMSA-N 2 0 429.562 -1.286 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220507226 1068422060 /nfs/dbraw/zinc/42/20/60/1068422060.db2.gz UNYSTRJNPCKJPK-QERJWTBHSA-N 2 0 429.562 -1.286 20 0 IAADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220507227 1068421959 /nfs/dbraw/zinc/42/19/59/1068421959.db2.gz UNYSTRJNPCKJPK-UNTXSKPGSA-N 2 0 429.562 -1.286 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCNCC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220507228 1068422086 /nfs/dbraw/zinc/42/20/86/1068422086.db2.gz UNYSTRJNPCKJPK-ZZGLYJMHSA-N 2 0 429.562 -1.286 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)[C@H](O)OC(C)(C)C)C1 ZINC001220507249 1068421898 /nfs/dbraw/zinc/42/18/98/1068421898.db2.gz USZPFPDKJDUTFQ-AMQNGPJSSA-N 3 0 443.589 -1.388 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507250 1068421934 /nfs/dbraw/zinc/42/19/34/1068421934.db2.gz USZPFPDKJDUTFQ-JOSHXOIJSA-N 3 0 443.589 -1.388 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[C@@H](O)OC(C)(C)C)C1 ZINC001220507251 1068422071 /nfs/dbraw/zinc/42/20/71/1068422071.db2.gz USZPFPDKJDUTFQ-RKYZWWOHSA-N 3 0 443.589 -1.388 20 0 IAADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)[C@H](O)OC(C)(C)C)C1 ZINC001220507252 1068422102 /nfs/dbraw/zinc/42/21/02/1068422102.db2.gz USZPFPDKJDUTFQ-ZRLASGMHSA-N 3 0 443.589 -1.388 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519456 1068422800 /nfs/dbraw/zinc/42/28/00/1068422800.db2.gz ORZGTRNXOZMNIK-ULQDDVLXSA-N 2 0 429.562 -1.036 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCOCCOCC[NH3+])C(=O)CF ZINC001220519721 1068422922 /nfs/dbraw/zinc/42/29/22/1068422922.db2.gz ZGUWFMRDAWCHBR-ZQIUZPCESA-N 2 0 449.524 -2.004 20 0 IAADRP CCOC(=O)CN(CC[NH3+])C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220583565 1068423659 /nfs/dbraw/zinc/42/36/59/1068423659.db2.gz NYKFWXVHJYJWRA-DCGLDWPTSA-N 2 0 447.508 -1.762 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])CCCNC(N)=O)c2nonc21 ZINC001220746092 1068423939 /nfs/dbraw/zinc/42/39/39/1068423939.db2.gz NHWRMQNHMIBVDS-JTQLQIEISA-N 2 0 442.502 -1.459 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)/C=C/C(=O)NCC[NH3+])c2nonc21 ZINC001220746105 1068423861 /nfs/dbraw/zinc/42/38/61/1068423861.db2.gz NMZOJHVVXAUUHI-AATRIKPKSA-N 2 0 425.471 -1.604 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])CC[S@@](C)=O)c2nonc21 ZINC001220747867 1068423727 /nfs/dbraw/zinc/42/37/27/1068423727.db2.gz ASMOHALKIBEBNO-FLESLCNUSA-N 2 0 432.528 -1.139 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])CC[S@](C)=O)c2nonc21 ZINC001220747868 1068423873 /nfs/dbraw/zinc/42/38/73/1068423873.db2.gz ASMOHALKIBEBNO-JGFSIVIASA-N 2 0 432.528 -1.139 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)COCCOCC[NH3+])c2nonc21 ZINC001220747884 1068423675 /nfs/dbraw/zinc/42/36/75/1068423675.db2.gz BDSSQOXRMIENKK-UHFFFAOYSA-N 2 0 430.487 -1.243 20 0 IAADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220747946 1068424517 /nfs/dbraw/zinc/42/45/17/1068424517.db2.gz CQDLNOYDLWHZLR-UWVGGRQHSA-N 2 0 443.486 -2.411 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2nonc21 ZINC001220748113 1068424402 /nfs/dbraw/zinc/42/44/02/1068424402.db2.gz FJIXIQPLUWHEHS-NSHDSACASA-N 2 0 439.498 -1.367 20 0 IAADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748149 1068424480 /nfs/dbraw/zinc/42/44/80/1068424480.db2.gz GLYCUQKYVSCJNK-AAEUAGOBSA-N 2 0 440.482 -1.084 20 0 IAADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748150 1068424549 /nfs/dbraw/zinc/42/45/49/1068424549.db2.gz GLYCUQKYVSCJNK-DGCLKSJQSA-N 2 0 440.482 -1.084 20 0 IAADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748151 1068424416 /nfs/dbraw/zinc/42/44/16/1068424416.db2.gz GLYCUQKYVSCJNK-WCQYABFASA-N 2 0 440.482 -1.084 20 0 IAADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220748152 1068424464 /nfs/dbraw/zinc/42/44/64/1068424464.db2.gz GLYCUQKYVSCJNK-YPMHNXCESA-N 2 0 440.482 -1.084 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])CSCC[NH3+])c2nonc21 ZINC001220748366 1068424531 /nfs/dbraw/zinc/42/45/31/1068424531.db2.gz IEATULXGOVHNFU-JTQLQIEISA-N 3 0 431.544 -1.216 20 0 IAADRP CCOC(=O)C1(C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C[NH2+]C1 ZINC001220748567 1068424555 /nfs/dbraw/zinc/42/45/55/1068424555.db2.gz KDNLWCLVZVMNFV-UHFFFAOYSA-N 2 0 440.482 -1.083 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2CCCN2C(=O)C[NH3+])c2nonc21 ZINC001220748601 1068424361 /nfs/dbraw/zinc/42/43/61/1068424361.db2.gz KJCTWGVLIYDGOU-LBPRGKRZSA-N 2 0 439.498 -1.286 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]([NH3+])CCCNC(N)=O)c2nonc21 ZINC001220748830 1068424567 /nfs/dbraw/zinc/42/45/67/1068424567.db2.gz NHWRMQNHMIBVDS-SNVBAGLBSA-N 2 0 442.502 -1.459 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2COC3(C[NH2+]C3)CN2)c2nonc21 ZINC001220749057 1068424470 /nfs/dbraw/zinc/42/44/70/1068424470.db2.gz ODVLAJHQLGFICK-LLVKDONJSA-N 2 0 439.498 -1.905 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c2nonc21 ZINC001220749058 1068424436 /nfs/dbraw/zinc/42/44/36/1068424436.db2.gz ODVLAJHQLGFICK-NSHDSACASA-N 2 0 439.498 -1.905 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[C@@H]([NH3+])CCC(N)=O)c2nonc21 ZINC001220749059 1068424589 /nfs/dbraw/zinc/42/45/89/1068424589.db2.gz OEBQECRCDOZQOX-JTQLQIEISA-N 2 0 427.487 -1.252 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001220749074 1068424451 /nfs/dbraw/zinc/42/44/51/1068424451.db2.gz OXNHJBSINRCYGA-UWVGGRQHSA-N 2 0 427.487 -1.383 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2NC(=O)CC23C[NH2+]C3)c2nonc21 ZINC001220749119 1068424384 /nfs/dbraw/zinc/42/43/84/1068424384.db2.gz QVJFJZUSJVEKNJ-HNNXBMFYSA-N 2 0 437.482 -1.757 20 0 IAADRP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2NC(=O)CC23C[NH2+]C3)c2nonc21 ZINC001220749120 1068424585 /nfs/dbraw/zinc/42/45/85/1068424585.db2.gz QVJFJZUSJVEKNJ-OAHLLOKOSA-N 2 0 437.482 -1.757 20 0 IAADRP CCOC(=O)C1(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[NH2+]C1 ZINC001220851465 1068425158 /nfs/dbraw/zinc/42/51/58/1068425158.db2.gz WVOZNKDDOMYXGW-HUBLWGQQSA-N 2 0 445.492 -2.091 20 0 IAADRP CCOC(=O)C1(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C[NH2+]C1 ZINC001220852858 1068425262 /nfs/dbraw/zinc/42/52/62/1068425262.db2.gz AEEJKPOFXIRXEH-KKUMJFAQSA-N 2 0 425.530 -1.123 20 0 IAADRP CCOC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C[NH2+]C1 ZINC001220853324 1068425384 /nfs/dbraw/zinc/42/53/84/1068425384.db2.gz WEMDERBSXZWZSO-WMZOPIPTSA-N 2 0 447.536 -1.165 20 0 IAADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220871299 1068425321 /nfs/dbraw/zinc/42/53/21/1068425321.db2.gz ZFOXFWICLHZVCR-UHFFFAOYSA-N 2 0 444.290 -2.943 20 0 IAADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902789 1068426029 /nfs/dbraw/zinc/42/60/29/1068426029.db2.gz ADEFXWYPGOBJKA-RYUDHWBXSA-N 2 0 425.581 -1.031 20 0 IAADRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220902842 1068426227 /nfs/dbraw/zinc/42/62/27/1068426227.db2.gz CIUUNCNKJBEFOO-KKUMJFAQSA-N 2 0 444.537 -1.480 20 0 IAADRP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1 ZINC001220909526 1068426134 /nfs/dbraw/zinc/42/61/34/1068426134.db2.gz VQIVDFOOFUDSQK-UHFFFAOYSA-N 2 0 426.518 -2.511 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001220926339 1068426167 /nfs/dbraw/zinc/42/61/67/1068426167.db2.gz HYEATXPBJBCBCV-UHFFFAOYSA-N 2 0 433.513 -2.283 20 0 IAADRP COc1ccccc1C[N@@H+]1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1 ZINC001220928607 1068426095 /nfs/dbraw/zinc/42/60/95/1068426095.db2.gz WRYLIYLTNMPFPB-HNNXBMFYSA-N 2 0 434.497 -2.307 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCO[C@@H]1CC[NH2+]C1)C(=O)CF ZINC001220937772 1068426782 /nfs/dbraw/zinc/42/67/82/1068426782.db2.gz ZUEAGIFGVXIUOV-LOUJCGABSA-N 2 0 431.509 -1.617 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCO[C@H]1CC[NH2+]C1)C(=O)CF ZINC001220937773 1068426733 /nfs/dbraw/zinc/42/67/33/1068426733.db2.gz ZUEAGIFGVXIUOV-WSMBLCCSSA-N 2 0 431.509 -1.617 20 0 IAADRP 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 1068426700 /nfs/dbraw/zinc/42/67/00/1068426700.db2.gz DFSMNBDBOKIEPA-CAOSSQGBSA-N 2 0 437.497 -1.525 20 0 IAADRP 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 1068426790 /nfs/dbraw/zinc/42/67/90/1068426790.db2.gz DFSMNBDBOKIEPA-ZJIFWQFVSA-N 2 0 437.497 -1.525 20 0 IAADRP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221003993 1068427675 /nfs/dbraw/zinc/42/76/75/1068427675.db2.gz IPLHAIJURUEIDE-WKILWMFISA-N 2 0 433.513 -2.013 20 0 IAADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221010678 1068427607 /nfs/dbraw/zinc/42/76/07/1068427607.db2.gz OBQXKHQRJZUQRF-KRWDZBQOSA-N 2 0 446.552 -1.289 20 0 IAADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221010679 1068427470 /nfs/dbraw/zinc/42/74/70/1068427470.db2.gz OBQXKHQRJZUQRF-QGZVFWFLSA-N 2 0 446.552 -1.289 20 0 IAADRP CCC(CC)[C@@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070567 1068427409 /nfs/dbraw/zinc/42/74/09/1068427409.db2.gz XCFTWUZCOIOKET-IHWGESPNSA-N 2 0 436.575 -1.375 20 0 IAADRP COc1cccc(C2([NH3+])CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC001221091452 1068427384 /nfs/dbraw/zinc/42/73/84/1068427384.db2.gz AHXSQHUGXGXBDZ-UHFFFAOYSA-N 2 0 434.497 -2.221 20 0 IAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221148502 1068428478 /nfs/dbraw/zinc/42/84/78/1068428478.db2.gz DIHZOPXMOLKBOE-HNNXBMFYSA-N 2 0 428.536 -1.291 20 0 IAADRP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221148503 1068428223 /nfs/dbraw/zinc/42/82/23/1068428223.db2.gz DIHZOPXMOLKBOE-OAHLLOKOSA-N 2 0 428.536 -1.291 20 0 IAADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148795 1068428488 /nfs/dbraw/zinc/42/84/88/1068428488.db2.gz PJQFXLHYKXZDDE-FZMZJTMJSA-N 2 0 426.499 -2.360 20 0 IAADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001221187655 1068428367 /nfs/dbraw/zinc/42/83/67/1068428367.db2.gz DJICRNHMWJRVJH-QCQGSNGOSA-N 2 0 447.508 -1.715 20 0 IAADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221262557 1068430202 /nfs/dbraw/zinc/43/02/02/1068430202.db2.gz HZCQOBGUHGHHLU-LWINAJNOSA-N 2 0 435.453 -1.016 20 0 IAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)C[NH3+])C(N)=O ZINC001221350898 1068431612 /nfs/dbraw/zinc/43/16/12/1068431612.db2.gz ASDLDAKZYKYVOP-VGWMRTNUSA-N 2 0 426.562 -1.188 20 0 IAADRP COC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351378 1068431698 /nfs/dbraw/zinc/43/16/98/1068431698.db2.gz GLDQRQQAJQIZEG-VGWMRTNUSA-N 2 0 442.561 -1.809 20 0 IAADRP C[NH2+][C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351581 1068431809 /nfs/dbraw/zinc/43/18/09/1068431809.db2.gz JHTZOTOJSAQFMF-VGWMRTNUSA-N 2 0 426.562 -1.175 20 0 IAADRP C[NH2+]CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221351618 1068431838 /nfs/dbraw/zinc/43/18/38/1068431838.db2.gz JTPVHBSEOZQGON-ZOBUZTSGSA-N 2 0 426.562 -1.173 20 0 IAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@H]1[NH3+])C(N)=O ZINC001221352340 1068431761 /nfs/dbraw/zinc/43/17/61/1068431761.db2.gz SQYVWNDHMFGPRE-WOYTXXSLSA-N 2 0 438.573 -1.045 20 0 IAADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C ZINC001221352655 1068431644 /nfs/dbraw/zinc/43/16/44/1068431644.db2.gz XRLPTBYVABPOSO-VGWMRTNUSA-N 2 0 442.561 -1.809 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(CO)CC[NH+](C)CC1)C(=O)CF ZINC001221403682 1068433415 /nfs/dbraw/zinc/43/34/15/1068433415.db2.gz WBUDFAIOVFWMJB-ZQIUZPCESA-N 2 0 445.536 -1.539 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCCNS(=O)(=O)C1CC[NH2+]CC1 ZINC001238595432 1068438961 /nfs/dbraw/zinc/43/89/61/1068438961.db2.gz MRNXXFLLLGDLQD-UHFFFAOYSA-N 2 0 427.564 -1.301 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238595478 1068438757 /nfs/dbraw/zinc/43/87/57/1068438757.db2.gz NWIVSKKVOYGTNJ-UHFFFAOYSA-N 2 0 441.591 -1.053 20 0 IAADRP OCCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245990825 1068441798 /nfs/dbraw/zinc/44/17/98/1068441798.db2.gz FAGGOQVJWHMRHY-IBGZPJMESA-N 2 0 438.562 -1.483 20 0 IAADRP OCCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245990835 1068441658 /nfs/dbraw/zinc/44/16/58/1068441658.db2.gz FAGGOQVJWHMRHY-LJQANCHMSA-N 2 0 438.562 -1.483 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245997748 1068441983 /nfs/dbraw/zinc/44/19/83/1068441983.db2.gz ZBYHPFNHQKWFKA-IBGZPJMESA-N 3 0 437.578 -1.517 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245997761 1068441895 /nfs/dbraw/zinc/44/18/95/1068441895.db2.gz ZBYHPFNHQKWFKA-LJQANCHMSA-N 3 0 437.578 -1.517 20 0 IAADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037524 1068442065 /nfs/dbraw/zinc/44/20/65/1068442065.db2.gz BSUXKSWKFABOIN-AZUAARDMSA-N 2 0 434.541 -1.075 20 0 IAADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037525 1068441923 /nfs/dbraw/zinc/44/19/23/1068441923.db2.gz BSUXKSWKFABOIN-ICSRJNTNSA-N 2 0 434.541 -1.075 20 0 IAADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037526 1068441743 /nfs/dbraw/zinc/44/17/43/1068441743.db2.gz BSUXKSWKFABOIN-QUCCMNQESA-N 2 0 434.541 -1.075 20 0 IAADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C2 ZINC001246037527 1068441940 /nfs/dbraw/zinc/44/19/40/1068441940.db2.gz BSUXKSWKFABOIN-UYAOXDASSA-N 2 0 434.541 -1.075 20 0 IAADRP 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 1068442812 /nfs/dbraw/zinc/44/28/12/1068442812.db2.gz MCIMJDVUEVRUOX-BRWVUGGUSA-N 2 0 432.587 -1.334 20 0 IAADRP 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 1068442650 /nfs/dbraw/zinc/44/26/50/1068442650.db2.gz MCIMJDVUEVRUOX-IXDOHACOSA-N 2 0 432.587 -1.334 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246207843 1068442682 /nfs/dbraw/zinc/44/26/82/1068442682.db2.gz GARRXNHJQGUITK-MQYQWHSLSA-N 2 0 437.501 -1.040 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246207852 1068442829 /nfs/dbraw/zinc/44/28/29/1068442829.db2.gz GARRXNHJQGUITK-RFGFWPKPSA-N 2 0 437.501 -1.040 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1C[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246207854 1068442718 /nfs/dbraw/zinc/44/27/18/1068442718.db2.gz GARRXNHJQGUITK-YIYPIFLZSA-N 2 0 437.501 -1.040 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1C[NH2+][C@H](C)C1)c(N)nc2=O ZINC001246207856 1068442822 /nfs/dbraw/zinc/44/28/22/1068442822.db2.gz GARRXNHJQGUITK-ZOBORPQBSA-N 2 0 437.501 -1.040 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[NH2+]C1)c(N)nc2=O ZINC001246208309 1068442760 /nfs/dbraw/zinc/44/27/60/1068442760.db2.gz HUZYQSDWFXLEQE-HZSPNIEDSA-N 2 0 437.501 -1.039 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[NH2+]C1)c(N)nc2=O ZINC001246208318 1068442799 /nfs/dbraw/zinc/44/27/99/1068442799.db2.gz HUZYQSDWFXLEQE-IHRRRGAJSA-N 2 0 437.501 -1.039 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CCC[NH2+]C1)c(N)nc2=O ZINC001246208323 1068442845 /nfs/dbraw/zinc/44/28/45/1068442845.db2.gz HUZYQSDWFXLEQE-MELADBBJSA-N 2 0 437.501 -1.039 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CCC[NH2+]C1)c(N)nc2=O ZINC001246208327 1068443261 /nfs/dbraw/zinc/44/32/61/1068443261.db2.gz HUZYQSDWFXLEQE-RDBSUJKOSA-N 2 0 437.501 -1.039 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CC[NH2+]CC1)c(N)nc2=O ZINC001246208435 1068443219 /nfs/dbraw/zinc/44/32/19/1068443219.db2.gz IKRZBLODHLGOKM-KBPBESRZSA-N 2 0 437.501 -1.039 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C1CC[NH2+]CC1)c(N)nc2=O ZINC001246208437 1068443594 /nfs/dbraw/zinc/44/35/94/1068443594.db2.gz IKRZBLODHLGOKM-UONOGXRCSA-N 2 0 437.501 -1.039 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1CCNC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246271158 1068443301 /nfs/dbraw/zinc/44/33/01/1068443301.db2.gz XVAKVPUMJWQQKW-KBPBESRZSA-N 2 0 448.528 -1.058 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1CCNC3(C[NH2+]C3)C1)c(N)nc2=O ZINC001246271171 1068443432 /nfs/dbraw/zinc/44/34/32/1068443432.db2.gz XVAKVPUMJWQQKW-KGLIPLIRSA-N 2 0 448.528 -1.058 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246348437 1068443374 /nfs/dbraw/zinc/44/33/74/1068443374.db2.gz WCPZMUZDQVDOAX-FQEVSTJZSA-N 3 0 448.605 -1.272 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246348444 1068444243 /nfs/dbraw/zinc/44/42/43/1068444243.db2.gz WCPZMUZDQVDOAX-HXUWFJFHSA-N 3 0 448.605 -1.272 20 0 IAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246479648 1068444139 /nfs/dbraw/zinc/44/41/39/1068444139.db2.gz CHOVHMLHNCZFPU-UGUYLWEFSA-N 2 0 435.554 -1.335 20 0 IAADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246480124 1068444923 /nfs/dbraw/zinc/44/49/23/1068444923.db2.gz CHOVHMLHNCZFPU-VGWMRTNUSA-N 2 0 435.554 -1.335 20 0 IAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC(=O)C1)C(N)=O ZINC001246488008 1068445111 /nfs/dbraw/zinc/44/51/11/1068445111.db2.gz VFRICEWOJHTYHL-CVYDXHPNSA-N 2 0 438.573 -1.031 20 0 IAADRP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC(=O)C1)C(N)=O ZINC001246488009 1068445050 /nfs/dbraw/zinc/44/50/50/1068445050.db2.gz VFRICEWOJHTYHL-OVWQWFNUSA-N 2 0 438.573 -1.031 20 0 IAADRP C[NH+]1CCN(c2cccc(-c3noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n3)c2)CC1 ZINC001248546446 1068446726 /nfs/dbraw/zinc/44/67/26/1068446726.db2.gz BDDPEZUQVAKPQF-UHFFFAOYSA-N 2 0 444.496 -1.704 20 0 IAADRP C[NH+]1CCN(c2ccc(-c3noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n3)cc2)CC1 ZINC001248546796 1068446586 /nfs/dbraw/zinc/44/65/86/1068446586.db2.gz HVGDGMBZILDBFP-UHFFFAOYSA-N 2 0 444.496 -1.704 20 0 IAADRP C[NH+]1CCN(c2ccccc2-c2noc(CNC(=O)CNC(=O)CNC(=O)C[NH3+])n2)CC1 ZINC001248547788 1068447553 /nfs/dbraw/zinc/44/75/53/1068447553.db2.gz ULGUDJMTAORJJA-UHFFFAOYSA-N 2 0 444.496 -1.704 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254323371 1068460310 /nfs/dbraw/zinc/46/03/10/1068460310.db2.gz GDCSTICQZNGKLM-GOSISDBHSA-N 2 0 442.575 -1.179 20 0 IAADRP [NH3+]CCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254323372 1068460196 /nfs/dbraw/zinc/46/01/96/1068460196.db2.gz GDCSTICQZNGKLM-SFHVURJKSA-N 2 0 442.575 -1.179 20 0 IAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCS(=O)(=O)C1 ZINC001254327744 1068460002 /nfs/dbraw/zinc/46/00/02/1068460002.db2.gz MLRMCRQMNNQXIL-JYJNAYRXSA-N 2 0 438.554 -1.392 20 0 IAADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCS(=O)(=O)C1 ZINC001254327747 1068459968 /nfs/dbraw/zinc/45/99/68/1068459968.db2.gz MLRMCRQMNNQXIL-PMPSAXMXSA-N 2 0 438.554 -1.392 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CCSC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255279997 1068462726 /nfs/dbraw/zinc/46/27/26/1068462726.db2.gz SJEOZFVSLDRAFK-ILXRZTDVSA-N 2 0 425.559 -1.354 20 0 IAADRP NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CCSC2)cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001255280007 1068462975 /nfs/dbraw/zinc/46/29/75/1068462975.db2.gz SJEOZFVSLDRAFK-KKUMJFAQSA-N 2 0 425.559 -1.354 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[N@H+](C)C1)c(N)nc2=O ZINC001255416254 1068463055 /nfs/dbraw/zinc/46/30/55/1068463055.db2.gz XINWHRSGLOWKFV-HZSPNIEDSA-N 2 0 437.501 -1.087 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[N@H+](C)C1)c(N)nc2=O ZINC001255416255 1068462602 /nfs/dbraw/zinc/46/26/02/1068462602.db2.gz XINWHRSGLOWKFV-IHRRRGAJSA-N 2 0 437.501 -1.087 20 0 IAADRP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@H]1CC[N@H+](C)C1)c(N)nc2=O ZINC001255416256 1068462788 /nfs/dbraw/zinc/46/27/88/1068462788.db2.gz XINWHRSGLOWKFV-MELADBBJSA-N 2 0 437.501 -1.087 20 0 IAADRP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n([C@@H]1CC[N@H+](C)C1)c(N)nc2=O ZINC001255416257 1068463111 /nfs/dbraw/zinc/46/31/11/1068463111.db2.gz XINWHRSGLOWKFV-RDBSUJKOSA-N 2 0 437.501 -1.087 20 0 IAADRP 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 1068462933 /nfs/dbraw/zinc/46/29/33/1068462933.db2.gz OHRABNJBXJAOFD-IKGGRYGDSA-N 3 0 436.561 -1.765 20 0 IAADRP 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 1068462851 /nfs/dbraw/zinc/46/28/51/1068462851.db2.gz OHRABNJBXJAOFD-ULQDDVLXSA-N 3 0 436.561 -1.765 20 0 IAADRP C[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1 ZINC001256202277 1068464527 /nfs/dbraw/zinc/46/45/27/1068464527.db2.gz UHVLNXZWVHBXQV-IRXDYDNUSA-N 3 0 436.561 -1.765 20 0 IAADRP C[NH+]1CCN(CCNC(=O)c2cc(S(=O)(=O)NCCN3CC[NH+](C)CC3)c[nH]2)CC1 ZINC001320793385 1068538736 /nfs/dbraw/zinc/53/87/36/1068538736.db2.gz SFHCEJGLBZJXDH-UHFFFAOYSA-N 2 0 441.602 -1.482 20 0 IAADRP O=C(CN1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)CN2CC[C@H](n3cncn3)C2)CC1 ZINC001325835753 1068553595 /nfs/dbraw/zinc/55/35/95/1068553595.db2.gz NEEPLJJNDPFFBR-HDICACEKSA-N 2 0 442.528 -1.266 20 0 IAADRP C[NH+]1CCC(O)(CNC(=O)c2cc(S(=O)(=O)NCC3(O)CC[NH+](C)CC3)c[nH]2)CC1 ZINC001340986861 1068563578 /nfs/dbraw/zinc/56/35/78/1068563578.db2.gz IEJOGMZYKKBCPM-UHFFFAOYSA-N 2 0 443.570 -1.064 20 0 IAADRP