smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)C[NH+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000072267379 374413201 /nfs/dbraw/zinc/41/32/01/374413201.db2.gz BGIZITAUSGSFLW-AWEZNQCLSA-N 2 1 324.469 -0.272 50 0 DBAAMP CC[NH+]1CCN(Cc2cc(C(=O)N3CC[C@@H]([NH3+])C3)no2)CC1 ZINC000067489605 374660798 /nfs/dbraw/zinc/66/07/98/374660798.db2.gz SKPDVZXBWVLOPE-GFCCVEGCSA-N 2 1 307.398 -0.015 50 0 DBAAMP CN(C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1[nH]nc2c1CN(C)CC2 ZINC000219938372 376633789 /nfs/dbraw/zinc/63/37/89/376633789.db2.gz SGMZFPFZYYWINO-OCCNTAHWSA-N 2 1 319.409 -0.155 50 0 DBAAMP O=C(c1cc2n(n1)CC[NH2+]C2)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000065374658 184331205 /nfs/dbraw/zinc/33/12/05/184331205.db2.gz MBDKBGAFSGVFIE-GJZGRUSLSA-N 2 1 319.409 -0.343 50 0 DBAAMP Cn1ccnc1SCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065527792 184359997 /nfs/dbraw/zinc/35/99/97/184359997.db2.gz KFVGBCFFFSWIIM-BXUZGUMPSA-N 2 1 309.439 -0.220 50 0 DBAAMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000249117238 393725532 /nfs/dbraw/zinc/72/55/32/393725532.db2.gz FSVONXIPHSZKQU-MGPQQGTHSA-N 2 1 308.426 -0.073 50 0 DBAAMP O=C(NC(CO)CO)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000065488962 803782079 /nfs/dbraw/zinc/78/20/79/803782079.db2.gz CGFLCZQODFOMOA-RHSMWYFYSA-N 2 1 319.405 -0.823 50 0 DBAAMP CC(C)C[N@H+]1CCN(CC(=O)N2CC[NH2+]CC2)C[C@@H]1CCO ZINC001529099683 1014514515 /nfs/dbraw/zinc/51/45/15/1014514515.db2.gz DUTDRHPBOGLATQ-HNNXBMFYSA-N 2 1 312.458 -0.557 50 0 DBAAMP NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC001506427984 1019842591 /nfs/dbraw/zinc/84/25/91/1019842591.db2.gz VZJXRFAWZLWEKB-PDWCTOEPSA-N 2 1 306.410 -0.608 50 0 DBAAMP NC(=O)C[N@H+]1CCC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC001506427984 1019842596 /nfs/dbraw/zinc/84/25/96/1019842596.db2.gz VZJXRFAWZLWEKB-PDWCTOEPSA-N 2 1 306.410 -0.608 50 0 DBAAMP Cc1nn2cc(CC[NH2+]C[C@]3(O)C[NH2+]CCOC3)nc2s1 ZINC000077376984 374719699 /nfs/dbraw/zinc/71/96/99/374719699.db2.gz YOMGGYCSOVGDEW-ZDUSSCGKSA-N 2 1 311.411 -0.418 50 0 DBAAMP CC[N@@H+](C)CCCN1CCN(c2cc(=O)[nH]cn2)C[C@H](O)C1 ZINC000097766813 374876460 /nfs/dbraw/zinc/87/64/60/374876460.db2.gz FLYSXVKPNFMYJG-CYBMUJFWSA-N 2 1 309.414 -0.405 50 0 DBAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000299776716 378050933 /nfs/dbraw/zinc/05/09/33/378050933.db2.gz KQWJQRNDTYSCHT-UHFFFAOYSA-N 2 1 320.393 -0.610 50 0 DBAAMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000299748473 229390920 /nfs/dbraw/zinc/39/09/20/229390920.db2.gz HDQVXLCNIGKCNS-ZIAGYGMSSA-N 2 1 311.426 -0.140 50 0 DBAAMP O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N1CC[NH+](CCCO)CC1 ZINC000828752904 805384023 /nfs/dbraw/zinc/38/40/23/805384023.db2.gz KHVIUMOYIHVRJP-INIZCTEOSA-N 2 1 324.469 -0.271 50 0 DBAAMP C[N@@H+](C[C@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000952876556 809007992 /nfs/dbraw/zinc/00/79/92/809007992.db2.gz BABHPHWXDKUHNZ-GJZGRUSLSA-N 2 1 312.458 -0.239 50 0 DBAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000072436687 374696885 /nfs/dbraw/zinc/69/68/85/374696885.db2.gz RMLBONHOKIIIFB-CYBMUJFWSA-N 2 1 323.441 -0.057 50 0 DBAAMP O[C@]1(CN2CC[NH+](CCc3ccccn3)CC2)C[NH2+]CCOC1 ZINC000077488238 374721966 /nfs/dbraw/zinc/72/19/66/374721966.db2.gz DRIPUGIVCLQEMJ-KRWDZBQOSA-N 2 1 320.437 -0.407 50 0 DBAAMP C[NH+]1CCN(C(=O)N2CCN(c3cc[nH+]cc3)C[C@H](O)C2)CC1 ZINC000097402369 374868202 /nfs/dbraw/zinc/86/82/02/374868202.db2.gz GOOVQKAEUBQPMB-HNNXBMFYSA-N 2 1 319.409 -0.068 50 0 DBAAMP OCCC[N@H+]1CC[C@H](c2nnc3n2CC[NH+](CCCO)CC3)C1 ZINC000257189281 374977911 /nfs/dbraw/zinc/97/79/11/374977911.db2.gz IDJIBMWPVLWNBA-AWEZNQCLSA-N 2 1 323.441 -0.310 50 0 DBAAMP OCCC[NH+]1CC[C@H](c2nnc3n2CC[N@@H+](CCCO)CC3)C1 ZINC000257189281 374977918 /nfs/dbraw/zinc/97/79/18/374977918.db2.gz IDJIBMWPVLWNBA-AWEZNQCLSA-N 2 1 323.441 -0.310 50 0 DBAAMP OCCC[NH+]1CC[C@H](c2nnc3n2CC[N@H+](CCCO)CC3)C1 ZINC000257189281 374977922 /nfs/dbraw/zinc/97/79/22/374977922.db2.gz IDJIBMWPVLWNBA-AWEZNQCLSA-N 2 1 323.441 -0.310 50 0 DBAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)CC1 ZINC000408523575 392526573 /nfs/dbraw/zinc/52/65/73/392526573.db2.gz LJKUGKZXICYUPN-MRXNPFEDSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](N3CCOCC3)C2)CC1 ZINC000408523575 392526579 /nfs/dbraw/zinc/52/65/79/392526579.db2.gz LJKUGKZXICYUPN-MRXNPFEDSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[NH+]1CCN(C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H](O)C2)CC1 ZINC000097402370 392491072 /nfs/dbraw/zinc/49/10/72/392491072.db2.gz GOOVQKAEUBQPMB-OAHLLOKOSA-N 2 1 319.409 -0.068 50 0 DBAAMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000329459439 544483101 /nfs/dbraw/zinc/48/31/01/544483101.db2.gz RMVHOUICVACCQY-LLVKDONJSA-N 2 1 303.366 -0.193 50 0 DBAAMP COCC[N@H+]1CC[C@@H](CNC(=O)CN2CCC[NH+](C)CC2)C1 ZINC000670449203 544705400 /nfs/dbraw/zinc/70/54/00/544705400.db2.gz CWFFONWDDBSWGP-HNNXBMFYSA-N 2 1 312.458 -0.292 50 0 DBAAMP COCC[NH+]1CC[C@@H](CNC(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000670449203 544705406 /nfs/dbraw/zinc/70/54/06/544705406.db2.gz CWFFONWDDBSWGP-HNNXBMFYSA-N 2 1 312.458 -0.292 50 0 DBAAMP COCC[NH+]1CC[C@@H](CNC(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000670449203 544705413 /nfs/dbraw/zinc/70/54/13/544705413.db2.gz CWFFONWDDBSWGP-HNNXBMFYSA-N 2 1 312.458 -0.292 50 0 DBAAMP C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)C2(C)CC[NH+](C)CC2)CC1 ZINC000534671750 334320676 /nfs/dbraw/zinc/32/06/76/334320676.db2.gz ORXKOQHXJYLBHL-GJZGRUSLSA-N 2 1 324.469 -0.151 50 0 DBAAMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299744358 534659418 /nfs/dbraw/zinc/65/94/18/534659418.db2.gz SCPCUPDLNSGWHD-JKSUJKDBSA-N 2 1 319.405 -0.142 50 0 DBAAMP C[N@@H+](C[C@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000952876555 809007738 /nfs/dbraw/zinc/00/77/38/809007738.db2.gz BABHPHWXDKUHNZ-CABCVRRESA-N 2 1 312.458 -0.239 50 0 DBAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2C1 ZINC000082138857 192360941 /nfs/dbraw/zinc/36/09/41/192360941.db2.gz UWXXMHPYWZDESX-OAHLLOKOSA-N 2 1 321.425 -0.041 50 0 DBAAMP CC(C)C[N@H+]1CCn2nc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2C1 ZINC000082138856 192361091 /nfs/dbraw/zinc/36/10/91/192361091.db2.gz UWXXMHPYWZDESX-HNNXBMFYSA-N 2 1 321.425 -0.041 50 0 DBAAMP CC[NH+]1CCC(NC(=O)CN2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000069848509 374395087 /nfs/dbraw/zinc/39/50/87/374395087.db2.gz KYSARBGIQJXJIY-CQSZACIVSA-N 2 1 312.458 -0.415 50 0 DBAAMP O[C@H]1COC[C@@H]1[N@H+]1CCCN(c2ncnc3c2CC[NH2+]C3)CC1 ZINC000067654273 374663235 /nfs/dbraw/zinc/66/32/35/374663235.db2.gz ZIPCURORINJDKU-GJZGRUSLSA-N 2 1 319.409 -0.606 50 0 DBAAMP Cc1nn2cc(CC[NH2+]C[C@@]3(O)C[NH2+]CCOC3)nc2s1 ZINC000077376987 374719773 /nfs/dbraw/zinc/71/97/73/374719773.db2.gz YOMGGYCSOVGDEW-CYBMUJFWSA-N 2 1 311.411 -0.418 50 0 DBAAMP O=C(N1CCN(CCCO)C[C@@H](O)C1)C1(Cn2ccnc2)CC1 ZINC000097495371 374869831 /nfs/dbraw/zinc/86/98/31/374869831.db2.gz BVDFCRVSKWDIQH-CQSZACIVSA-N 2 1 322.409 -0.449 50 0 DBAAMP O=S(=O)(CC[NH+]1CCCC1)N1CCC[N@@H+](CCO)CC1 ZINC000192687736 375276549 /nfs/dbraw/zinc/27/65/49/375276549.db2.gz RICUOTDJCYBNSZ-UHFFFAOYSA-N 2 1 305.444 -0.588 50 0 DBAAMP O=S(=O)(CC[NH+]1CCCC1)N1CCC[N@H+](CCO)CC1 ZINC000192687736 375276560 /nfs/dbraw/zinc/27/65/60/375276560.db2.gz RICUOTDJCYBNSZ-UHFFFAOYSA-N 2 1 305.444 -0.588 50 0 DBAAMP Nc1n[nH]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)n1 ZINC000096139570 382607733 /nfs/dbraw/zinc/60/77/33/382607733.db2.gz ZUPYAUMHURCYQE-MEBBXXQBSA-N 2 1 319.413 -0.533 50 0 DBAAMP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000670449718 544705839 /nfs/dbraw/zinc/70/58/39/544705839.db2.gz JIRIYUVLKMBYSL-HNNXBMFYSA-N 2 1 312.458 -0.556 50 0 DBAAMP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000670449719 544706276 /nfs/dbraw/zinc/70/62/76/544706276.db2.gz JIRIYUVLKMBYSL-OAHLLOKOSA-N 2 1 312.458 -0.556 50 0 DBAAMP O=C(CCC[NH+]1CCOCC1)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711247 805382751 /nfs/dbraw/zinc/38/27/51/805382751.db2.gz UNODZEGMJZZRJU-OAHLLOKOSA-N 2 1 313.442 -0.081 50 0 DBAAMP O=C(CCC[NH+]1CCOCC1)NCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000828711247 805382759 /nfs/dbraw/zinc/38/27/59/805382759.db2.gz UNODZEGMJZZRJU-OAHLLOKOSA-N 2 1 313.442 -0.081 50 0 DBAAMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000952860287 809006899 /nfs/dbraw/zinc/00/68/99/809006899.db2.gz KZWHQYMPCWIUGM-INIZCTEOSA-N 2 1 324.469 -0.319 50 0 DBAAMP C[N@H+](C[C@@H](O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877003 809008379 /nfs/dbraw/zinc/00/83/79/809008379.db2.gz KGFZWUSUQQEJAF-LSDHHAIUSA-N 2 1 310.442 -0.662 50 0 DBAAMP C[N@@H+](C[C@@H](O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877003 809008386 /nfs/dbraw/zinc/00/83/86/809008386.db2.gz KGFZWUSUQQEJAF-LSDHHAIUSA-N 2 1 310.442 -0.662 50 0 DBAAMP C[C@@H](O)C[NH+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000072267380 374412299 /nfs/dbraw/zinc/41/22/99/374412299.db2.gz BGIZITAUSGSFLW-CQSZACIVSA-N 2 1 324.469 -0.272 50 0 DBAAMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237607158 375024474 /nfs/dbraw/zinc/02/44/74/375024474.db2.gz RCAHBZDEZSFLEJ-XHSDSOJGSA-N 2 1 324.469 -0.008 50 0 DBAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237607158 375024480 /nfs/dbraw/zinc/02/44/80/375024480.db2.gz RCAHBZDEZSFLEJ-XHSDSOJGSA-N 2 1 324.469 -0.008 50 0 DBAAMP C[C@@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC[NH2+]1 ZINC000186609952 378358361 /nfs/dbraw/zinc/35/83/61/378358361.db2.gz KLVUEFKMKJDLAJ-BBRMVZONSA-N 2 1 308.426 -0.059 50 0 DBAAMP O=C(NCCc1nn[nH]n1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000065371759 184329907 /nfs/dbraw/zinc/32/99/07/184329907.db2.gz PSJDYHJVTNDOEV-IAQYHMDHSA-N 2 1 319.413 -0.678 50 0 DBAAMP O=C(NCCc1nn[nH]n1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000065371759 184329908 /nfs/dbraw/zinc/32/99/08/184329908.db2.gz PSJDYHJVTNDOEV-IAQYHMDHSA-N 2 1 319.413 -0.678 50 0 DBAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000426582911 257246341 /nfs/dbraw/zinc/24/63/41/257246341.db2.gz WCXWMNCLISVASE-CQSZACIVSA-N 2 1 305.426 -0.024 50 0 DBAAMP C[C@@H](O)C[N@@H+](CCN1CC[NH+](C[C@H](C)O)CC1)C[C@H](C)O ZINC000019894058 287083908 /nfs/dbraw/zinc/08/39/08/287083908.db2.gz CVGZYBYVLMNLGK-SOUVJXGZSA-N 2 1 303.447 -0.952 50 0 DBAAMP COCC[N@H+]1CC[C@H](CNC(=O)CN2CCC[NH+](C)CC2)C1 ZINC000670449204 544705803 /nfs/dbraw/zinc/70/58/03/544705803.db2.gz CWFFONWDDBSWGP-OAHLLOKOSA-N 2 1 312.458 -0.292 50 0 DBAAMP COCC[NH+]1CC[C@H](CNC(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000670449204 544705807 /nfs/dbraw/zinc/70/58/07/544705807.db2.gz CWFFONWDDBSWGP-OAHLLOKOSA-N 2 1 312.458 -0.292 50 0 DBAAMP COCC[NH+]1CC[C@H](CNC(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000670449204 544705809 /nfs/dbraw/zinc/70/58/09/544705809.db2.gz CWFFONWDDBSWGP-OAHLLOKOSA-N 2 1 312.458 -0.292 50 0 DBAAMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000299748472 229391994 /nfs/dbraw/zinc/39/19/94/229391994.db2.gz HDQVXLCNIGKCNS-UONOGXRCSA-N 2 1 311.426 -0.140 50 0 DBAAMP C[N@H+]1CCCN(CC(=O)NCCC[NH+]2CCC[C@H](O)C2)CC1 ZINC000828627413 805378893 /nfs/dbraw/zinc/37/88/93/805378893.db2.gz QWMCDWBEHDNQGF-HNNXBMFYSA-N 2 1 312.458 -0.413 50 0 DBAAMP C[NH+]1CCCN(CC(=O)NCCC[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000828627413 805378903 /nfs/dbraw/zinc/37/89/03/805378903.db2.gz QWMCDWBEHDNQGF-HNNXBMFYSA-N 2 1 312.458 -0.413 50 0 DBAAMP C[NH+]1CCCN(CC(=O)NCCC[N@H+]2CCC[C@H](O)C2)CC1 ZINC000828627413 805378913 /nfs/dbraw/zinc/37/89/13/805378913.db2.gz QWMCDWBEHDNQGF-HNNXBMFYSA-N 2 1 312.458 -0.413 50 0 DBAAMP C[NH+]1CCN([C@H]2CN(C(=O)C[NH+]3CCCCCC3)C[C@@H]2O)CC1 ZINC000952986674 809013336 /nfs/dbraw/zinc/01/33/36/809013336.db2.gz FNSOBVGJEQTQDT-HOTGVXAUSA-N 2 1 324.469 -0.319 50 0 DBAAMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000237432337 202263798 /nfs/dbraw/zinc/26/37/98/202263798.db2.gz RCAHBZDEZSFLEJ-OAGGEKHMSA-N 2 1 324.469 -0.008 50 0 DBAAMP Cc1[nH+]ccn1CC(=O)N1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091931734 193128002 /nfs/dbraw/zinc/12/80/02/193128002.db2.gz CPBMUPVQXOAIRL-ZIAGYGMSSA-N 2 1 310.398 -0.817 50 0 DBAAMP Cc1[nH+]ccn1CC(=O)N1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091931734 193128003 /nfs/dbraw/zinc/12/80/03/193128003.db2.gz CPBMUPVQXOAIRL-ZIAGYGMSSA-N 2 1 310.398 -0.817 50 0 DBAAMP CN1CCN(C[C@@H]2C[NH2+]C[C@H](C(=O)NCC[NH+](C)C)C2)CC1 ZINC000023352374 182357481 /nfs/dbraw/zinc/35/74/81/182357481.db2.gz NKNBTHJGQJKOMX-LSDHHAIUSA-N 2 1 311.474 -0.863 50 0 DBAAMP CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CC[NH2+]C2)cc1 ZINC000077488176 374721633 /nfs/dbraw/zinc/72/16/33/374721633.db2.gz DXGFPWCHVDVMLY-AWEZNQCLSA-N 2 1 313.423 -0.249 50 0 DBAAMP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCN(CCO)CC1 ZINC000314732037 378170518 /nfs/dbraw/zinc/17/05/18/378170518.db2.gz NHBBAQAPDDOHJY-HNNXBMFYSA-N 2 1 310.442 -0.661 50 0 DBAAMP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCN(CCO)CC1 ZINC000314732037 378170523 /nfs/dbraw/zinc/17/05/23/378170523.db2.gz NHBBAQAPDDOHJY-HNNXBMFYSA-N 3 1 310.442 -0.661 50 0 DBAAMP Cc1nc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)cc(=O)[nH]1 ZINC000065387717 184334091 /nfs/dbraw/zinc/33/40/91/184334091.db2.gz RHDLTAMGGJZZEA-IAQYHMDHSA-N 2 1 305.382 -0.699 50 0 DBAAMP O[C@]1(C[NH2+]CCCn2nnc3ccccc32)C[NH2+]CCOC1 ZINC000077298995 418946957 /nfs/dbraw/zinc/94/69/57/418946957.db2.gz BUXRYHBJLPFJJF-OAHLLOKOSA-N 2 1 305.382 -0.238 50 0 DBAAMP CN1CCN(c2nc3nonc3nc2N2CC[NH+](C)CC2)CC1 ZINC000000236567 544467068 /nfs/dbraw/zinc/46/70/68/544467068.db2.gz QVCKFMWZMITHFC-UHFFFAOYSA-N 2 1 318.385 -0.484 50 0 DBAAMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC000329459440 544482051 /nfs/dbraw/zinc/48/20/51/544482051.db2.gz RMVHOUICVACCQY-NSHDSACASA-N 2 1 303.366 -0.193 50 0 DBAAMP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2OC)CC1 ZINC000670440495 544703187 /nfs/dbraw/zinc/70/31/87/544703187.db2.gz RRHJAVNCBDICKM-GJZGRUSLSA-N 2 1 312.458 -0.152 50 0 DBAAMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCN2CCOCC2)CC1 ZINC001529145788 1014522262 /nfs/dbraw/zinc/52/22/62/1014522262.db2.gz MTTXTNIVVWKZMA-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCN2CCOCC2)CC1 ZINC001529145788 1014522270 /nfs/dbraw/zinc/52/22/70/1014522270.db2.gz MTTXTNIVVWKZMA-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCN2CCOCC2)CC1 ZINC001529145788 1014522277 /nfs/dbraw/zinc/52/22/77/1014522277.db2.gz MTTXTNIVVWKZMA-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP CN(C)C(=O)NCc1cc2n(n1)CC[N@@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2 ZINC000102649453 374892482 /nfs/dbraw/zinc/89/24/82/374892482.db2.gz FMWSXBLPWQRXQN-FICVDOATSA-N 2 1 318.425 -0.065 50 0 DBAAMP OCCC[N@H+]1CC[C@@H](c2nnc3n2CC[NH+](CCCO)CC3)C1 ZINC000257189283 374978221 /nfs/dbraw/zinc/97/82/21/374978221.db2.gz IDJIBMWPVLWNBA-CQSZACIVSA-N 2 1 323.441 -0.310 50 0 DBAAMP OCCC[NH+]1CC[C@@H](c2nnc3n2CC[N@@H+](CCCO)CC3)C1 ZINC000257189283 374978224 /nfs/dbraw/zinc/97/82/24/374978224.db2.gz IDJIBMWPVLWNBA-CQSZACIVSA-N 2 1 323.441 -0.310 50 0 DBAAMP OCCC[NH+]1CC[C@@H](c2nnc3n2CC[N@H+](CCCO)CC3)C1 ZINC000257189283 374978227 /nfs/dbraw/zinc/97/82/27/374978227.db2.gz IDJIBMWPVLWNBA-CQSZACIVSA-N 2 1 323.441 -0.310 50 0 DBAAMP COCCN(Cc1cnn(C)c1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2 ZINC000065396593 184335146 /nfs/dbraw/zinc/33/51/46/184335146.db2.gz KOMIAPVDXWZMBP-GDBMZVCRSA-N 2 1 321.425 -0.454 50 0 DBAAMP C[N@@H+]1CCCN(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000065404360 184338078 /nfs/dbraw/zinc/33/80/78/184338078.db2.gz NKFQSUICVGKKDY-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[N@H+]1CCCN(CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000065404360 184338079 /nfs/dbraw/zinc/33/80/79/184338079.db2.gz NKFQSUICVGKKDY-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299748471 229391924 /nfs/dbraw/zinc/39/19/24/229391924.db2.gz HDQVXLCNIGKCNS-KGLIPLIRSA-N 2 1 311.426 -0.140 50 0 DBAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000827785159 805352454 /nfs/dbraw/zinc/35/24/54/805352454.db2.gz GZMHKPZFCIPLDZ-AWEZNQCLSA-N 2 1 300.366 -0.050 50 0 DBAAMP C[N@@H+](C[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000952876558 809007643 /nfs/dbraw/zinc/00/76/43/809007643.db2.gz BABHPHWXDKUHNZ-LSDHHAIUSA-N 2 1 312.458 -0.239 50 0 DBAAMP C[N@H+](C[C@H](O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877000 809007714 /nfs/dbraw/zinc/00/77/14/809007714.db2.gz KGFZWUSUQQEJAF-CABCVRRESA-N 2 1 310.442 -0.662 50 0 DBAAMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877000 809007721 /nfs/dbraw/zinc/00/77/21/809007721.db2.gz KGFZWUSUQQEJAF-CABCVRRESA-N 2 1 310.442 -0.662 50 0 DBAAMP CCC[N@H+]1CCCn2nc(CNC(=O)[C@H](CO)[NH2+]C)cc2C1 ZINC000082098016 192354702 /nfs/dbraw/zinc/35/47/02/192354702.db2.gz UWQIWYHFWSNSJJ-AWEZNQCLSA-N 2 1 309.414 -0.305 50 0 DBAAMP CC[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@H](O)C2)CC1 ZINC000584903720 374262191 /nfs/dbraw/zinc/26/21/91/374262191.db2.gz JNHWVNFAOBVXDB-HNNXBMFYSA-N 2 1 312.458 -0.413 50 0 DBAAMP CN1CCC([N@H+]2C[C@@H](CO)[C@H](NC(=O)c3cnccn3)C2)CC1 ZINC000257195772 374986994 /nfs/dbraw/zinc/98/69/94/374986994.db2.gz WWJAOSBXJKSXBN-SWLSCSKDSA-N 2 1 319.409 -0.407 50 0 DBAAMP C[C@]1(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC[NH2+]1 ZINC000186609936 378358250 /nfs/dbraw/zinc/35/82/50/378358250.db2.gz KLVUEFKMKJDLAJ-XJKSGUPXSA-N 2 1 308.426 -0.059 50 0 DBAAMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000249117235 393725679 /nfs/dbraw/zinc/72/56/79/393725679.db2.gz FSVONXIPHSZKQU-BFHYXJOUSA-N 2 1 308.426 -0.073 50 0 DBAAMP O=c1[nH]nc2c(N3CCC[C@@H]([NH2+]C4CC[NH2+]CC4)C3)nccn12 ZINC000067350060 275042885 /nfs/dbraw/zinc/04/28/85/275042885.db2.gz IFTJITMKQRMANB-GFCCVEGCSA-N 2 1 317.397 -0.272 50 0 DBAAMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333434631 297542653 /nfs/dbraw/zinc/54/26/53/297542653.db2.gz VDYLOCCEESSQMI-BFHYXJOUSA-N 2 1 308.426 -0.203 50 0 DBAAMP O[C@@]1(CN2CC[NH+](CCc3ccccn3)CC2)C[NH2+]CCOC1 ZINC000077488234 374721552 /nfs/dbraw/zinc/72/15/52/374721552.db2.gz DRIPUGIVCLQEMJ-QGZVFWFLSA-N 2 1 320.437 -0.407 50 0 DBAAMP COCC[NH+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000042565285 183285354 /nfs/dbraw/zinc/28/53/54/183285354.db2.gz NNQGQMHRSIVZAI-UHFFFAOYSA-N 2 1 324.469 -0.007 50 0 DBAAMP C[N@H+]1C[C@H](NC(=O)Cc2ccc(OCC[NH3+])cc2)C[C@H]1CO ZINC000426716181 257243662 /nfs/dbraw/zinc/24/36/62/257243662.db2.gz STMHJZOIHCXTAN-KGLIPLIRSA-N 2 1 307.394 -0.252 50 0 DBAAMP C[N@H+]1C[C@H](NC(=O)c2cc(F)ccc2OCC[NH3+])C[C@H]1CO ZINC000426728334 257243739 /nfs/dbraw/zinc/24/37/39/257243739.db2.gz WAQIVSVADVGAMH-NEPJUHHUSA-N 2 1 311.357 -0.042 50 0 DBAAMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000263278012 287684694 /nfs/dbraw/zinc/68/46/94/287684694.db2.gz RCAHBZDEZSFLEJ-BZUAXINKSA-N 2 1 324.469 -0.008 50 0 DBAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCS(N)(=O)=O)CC1 ZINC000075603088 278395132 /nfs/dbraw/zinc/39/51/32/278395132.db2.gz DSZFDNIZAQWHSQ-GFCCVEGCSA-N 2 1 307.460 -0.310 50 0 DBAAMP O=C(CCC[NH+]1CCOCC1)N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1 ZINC000828896801 805386273 /nfs/dbraw/zinc/38/62/73/805386273.db2.gz SJGQFHNRGCMQQX-GJZGRUSLSA-N 2 1 311.426 -0.234 50 0 DBAAMP NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC001506427985 1019843817 /nfs/dbraw/zinc/84/38/17/1019843817.db2.gz VZJXRFAWZLWEKB-RGDJUOJXSA-N 2 1 306.410 -0.608 50 0 DBAAMP NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)C1 ZINC001506427985 1019843820 /nfs/dbraw/zinc/84/38/20/1019843820.db2.gz VZJXRFAWZLWEKB-RGDJUOJXSA-N 2 1 306.410 -0.608 50 0 DBAAMP Cc1cc(N2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000092099499 193158790 /nfs/dbraw/zinc/15/87/90/193158790.db2.gz SLNZNDIGKDGVMO-CHWSQXEVSA-N 2 1 307.398 -0.256 50 0 DBAAMP CC[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000584903721 374261695 /nfs/dbraw/zinc/26/16/95/374261695.db2.gz JNHWVNFAOBVXDB-OAHLLOKOSA-N 2 1 312.458 -0.413 50 0 DBAAMP Cn1c(CN2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCO)C1 ZINC000072436688 374696739 /nfs/dbraw/zinc/69/67/39/374696739.db2.gz RMLBONHOKIIIFB-ZDUSSCGKSA-N 2 1 323.441 -0.057 50 0 DBAAMP O=C(N1CCN(CCCO)C[C@H](O)C1)C1(Cn2ccnc2)CC1 ZINC000097495369 374869564 /nfs/dbraw/zinc/86/95/64/374869564.db2.gz BVDFCRVSKWDIQH-AWEZNQCLSA-N 2 1 322.409 -0.449 50 0 DBAAMP C[N@H+]1CCC[C@H](C(=O)NCCc2nnc3n2CC[NH2+]CC3)C1 ZINC000299765719 378051541 /nfs/dbraw/zinc/05/15/41/378051541.db2.gz CCYBXXLRIPZENO-LBPRGKRZSA-N 2 1 306.414 -0.576 50 0 DBAAMP C[C@@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC[NH2+]1 ZINC000186609988 378358133 /nfs/dbraw/zinc/35/81/33/378358133.db2.gz KLVUEFKMKJDLAJ-CJNGLKHVSA-N 2 1 308.426 -0.059 50 0 DBAAMP CC[NH+]1CCC(NC(=O)CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000069848512 382691609 /nfs/dbraw/zinc/69/16/09/382691609.db2.gz KYSARBGIQJXJIY-AWEZNQCLSA-N 2 1 312.458 -0.415 50 0 DBAAMP Cn1c(C[N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252533066 294155582 /nfs/dbraw/zinc/15/55/82/294155582.db2.gz FUJQULZENCXPRW-SAGOZDOPSA-N 2 1 321.425 -0.417 50 0 DBAAMP Cn1c(C[N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252533066 294155583 /nfs/dbraw/zinc/15/55/83/294155583.db2.gz FUJQULZENCXPRW-SAGOZDOPSA-N 2 1 321.425 -0.417 50 0 DBAAMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000333434637 297532850 /nfs/dbraw/zinc/53/28/50/297532850.db2.gz VDYLOCCEESSQMI-MJBXVCDLSA-N 2 1 308.426 -0.203 50 0 DBAAMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000299744352 534660058 /nfs/dbraw/zinc/66/00/58/534660058.db2.gz SCPCUPDLNSGWHD-CVEARBPZSA-N 2 1 319.405 -0.142 50 0 DBAAMP C[N@H+]1CCCN(CC(=O)NCCC[NH+]2CCC[C@@H](O)C2)CC1 ZINC000828627414 805379023 /nfs/dbraw/zinc/37/90/23/805379023.db2.gz QWMCDWBEHDNQGF-OAHLLOKOSA-N 2 1 312.458 -0.413 50 0 DBAAMP C[NH+]1CCCN(CC(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000828627414 805379034 /nfs/dbraw/zinc/37/90/34/805379034.db2.gz QWMCDWBEHDNQGF-OAHLLOKOSA-N 2 1 312.458 -0.413 50 0 DBAAMP C[NH+]1CCCN(CC(=O)NCCC[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000828627414 805379042 /nfs/dbraw/zinc/37/90/42/805379042.db2.gz QWMCDWBEHDNQGF-OAHLLOKOSA-N 2 1 312.458 -0.413 50 0 DBAAMP CC(C)C[N@H+]1CCN(CC(=O)N2CC[NH2+]CC2)C[C@H]1CCO ZINC001529099685 1014516578 /nfs/dbraw/zinc/51/65/78/1014516578.db2.gz DUTDRHPBOGLATQ-OAHLLOKOSA-N 2 1 312.458 -0.557 50 0 DBAAMP COC[C@@H]([NH3+])C(=O)NCc1cc2n(n1)CC[N@@H+](CC(C)C)C2 ZINC000082148536 192362058 /nfs/dbraw/zinc/36/20/58/192362058.db2.gz BBZPXZXEUVIGEO-CQSZACIVSA-N 2 1 309.414 -0.055 50 0 DBAAMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000186682703 374241820 /nfs/dbraw/zinc/24/18/20/374241820.db2.gz FSVONXIPHSZKQU-MJBXVCDLSA-N 2 1 308.426 -0.073 50 0 DBAAMP NC(=O)CN1CC[N@@H+](Cc2ccc(CC[NH3+])cc2)C[C@H](O)C1 ZINC000217645684 376593830 /nfs/dbraw/zinc/59/38/30/376593830.db2.gz GJLBIOCDNZIXJG-HNNXBMFYSA-N 2 1 306.410 -0.848 50 0 DBAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000426582910 257245805 /nfs/dbraw/zinc/24/58/05/257245805.db2.gz WCXWMNCLISVASE-AWEZNQCLSA-N 2 1 305.426 -0.024 50 0 DBAAMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000186682722 392349738 /nfs/dbraw/zinc/34/97/38/392349738.db2.gz FSVONXIPHSZKQU-MCIONIFRSA-N 2 1 308.426 -0.073 50 0 DBAAMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333434636 278049129 /nfs/dbraw/zinc/04/91/29/278049129.db2.gz VDYLOCCEESSQMI-MELADBBJSA-N 2 1 308.426 -0.203 50 0 DBAAMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000299744356 534659481 /nfs/dbraw/zinc/65/94/81/534659481.db2.gz SCPCUPDLNSGWHD-HZPDHXFCSA-N 2 1 319.405 -0.142 50 0 DBAAMP CC[N@H+]1C[C@H](Nc2nc(N)nc3c2CC[NH2+]CC3)[C@@H](OC)C1 ZINC000072458384 191172611 /nfs/dbraw/zinc/17/26/11/191172611.db2.gz AHOLANMXXAVDIH-STQMWFEESA-N 2 1 306.414 -0.122 50 0 DBAAMP Cc1noc([C@@]23C[N@@H+](CCCO)C[C@@H]2CCN(CCO)C3)n1 ZINC000257193184 374984362 /nfs/dbraw/zinc/98/43/62/374984362.db2.gz XPZXNVDWEGAFQM-ZFWWWQNUSA-N 2 1 310.398 -0.372 50 0 DBAAMP CN(C)S(=O)(=O)CCCN1CCN(c2[nH+]ccn2C)CC1 ZINC000084331666 375229340 /nfs/dbraw/zinc/22/93/40/375229340.db2.gz LOASLKRPHBXVOK-UHFFFAOYSA-N 2 1 315.443 -0.176 50 0 DBAAMP C[NH+](C)C[C@@H]1COCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000584890936 382345224 /nfs/dbraw/zinc/34/52/24/382345224.db2.gz WIMKBMMHGZGOBK-HNNXBMFYSA-N 2 1 312.458 -0.340 50 0 DBAAMP O=c1[nH]nc2c(N3CCC[C@H]([NH2+]C4CC[NH2+]CC4)C3)nccn12 ZINC000067350059 275042787 /nfs/dbraw/zinc/04/27/87/275042787.db2.gz IFTJITMKQRMANB-LBPRGKRZSA-N 2 1 317.397 -0.272 50 0 DBAAMP C[C@]1(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC[NH2+]1 ZINC000186609972 525191787 /nfs/dbraw/zinc/19/17/87/525191787.db2.gz KLVUEFKMKJDLAJ-CZUORRHYSA-N 2 1 308.426 -0.059 50 0 DBAAMP O[C@@]1(C[NH2+]CCCn2nnc3ccccc32)C[NH2+]CCOC1 ZINC000077298993 563508613 /nfs/dbraw/zinc/50/86/13/563508613.db2.gz BUXRYHBJLPFJJF-HNNXBMFYSA-N 2 1 305.382 -0.238 50 0 DBAAMP C[C@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000823684452 805238067 /nfs/dbraw/zinc/23/80/67/805238067.db2.gz UTZBRXXKIAGFPM-CQSZACIVSA-N 2 1 312.458 -0.463 50 0 DBAAMP C[N@H+]1CCCN(CC(=O)N2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000823778410 805241516 /nfs/dbraw/zinc/24/15/16/805241516.db2.gz YORUVJKEDMEIGG-UHFFFAOYSA-N 2 1 324.469 -0.053 50 0 DBAAMP O=C(CCC[NH+]1CCOCC1)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711246 805382685 /nfs/dbraw/zinc/38/26/85/805382685.db2.gz UNODZEGMJZZRJU-HNNXBMFYSA-N 2 1 313.442 -0.081 50 0 DBAAMP O=C(CCC[NH+]1CCOCC1)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000828711246 805382692 /nfs/dbraw/zinc/38/26/92/805382692.db2.gz UNODZEGMJZZRJU-HNNXBMFYSA-N 2 1 313.442 -0.081 50 0 DBAAMP CC[NH+]1CCN(Cc2cc(C(=O)N3CC[C@H]([NH3+])C3)no2)CC1 ZINC000067489602 374661725 /nfs/dbraw/zinc/66/17/25/374661725.db2.gz SKPDVZXBWVLOPE-LBPRGKRZSA-N 2 1 307.398 -0.015 50 0 DBAAMP C[N@H+]1CCC[C@@H](C(=O)NCCc2nnc3n2CC[NH2+]CC3)C1 ZINC000299765718 378051008 /nfs/dbraw/zinc/05/10/08/378051008.db2.gz CCYBXXLRIPZENO-GFCCVEGCSA-N 2 1 306.414 -0.576 50 0 DBAAMP CS(=O)(=O)NCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063856783 184290050 /nfs/dbraw/zinc/29/00/50/184290050.db2.gz JTHOHCKZMLSNRB-CHWSQXEVSA-N 2 1 305.444 -0.495 50 0 DBAAMP CS(=O)(=O)NCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063856783 184290051 /nfs/dbraw/zinc/29/00/51/184290051.db2.gz JTHOHCKZMLSNRB-CHWSQXEVSA-N 2 1 305.444 -0.495 50 0 DBAAMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000333434635 382609395 /nfs/dbraw/zinc/60/93/95/382609395.db2.gz VDYLOCCEESSQMI-IHRRRGAJSA-N 2 1 308.426 -0.203 50 0 DBAAMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000408523574 392525615 /nfs/dbraw/zinc/52/56/15/392525615.db2.gz LJKUGKZXICYUPN-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000408523574 392525625 /nfs/dbraw/zinc/52/56/25/392525625.db2.gz LJKUGKZXICYUPN-INIZCTEOSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[N@@H+]1CCCN(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000244734697 393528515 /nfs/dbraw/zinc/52/85/15/393528515.db2.gz NKFQSUICVGKKDY-MRXNPFEDSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[N@H+]1CCCN(CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000244734697 393528521 /nfs/dbraw/zinc/52/85/21/393528521.db2.gz NKFQSUICVGKKDY-MRXNPFEDSA-N 2 1 324.469 -0.053 50 0 DBAAMP C[C@@H](C(=O)N1CCC(O)(C[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000823684447 805237918 /nfs/dbraw/zinc/23/79/18/805237918.db2.gz UTZBRXXKIAGFPM-AWEZNQCLSA-N 2 1 312.458 -0.463 50 0 DBAAMP C[NH+]1CCN([C@H]2COC[C@@H]2NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000823792786 805242997 /nfs/dbraw/zinc/24/29/97/805242997.db2.gz XZCFNALDWOWQRU-GJZGRUSLSA-N 2 1 310.442 -0.493 50 0 DBAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000827785162 805352931 /nfs/dbraw/zinc/35/29/31/805352931.db2.gz GZMHKPZFCIPLDZ-CQSZACIVSA-N 2 1 300.366 -0.050 50 0 DBAAMP C[N@H+](C[C@H](O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877001 809008050 /nfs/dbraw/zinc/00/80/50/809008050.db2.gz KGFZWUSUQQEJAF-GJZGRUSLSA-N 2 1 310.442 -0.662 50 0 DBAAMP C[N@@H+](C[C@H](O)CN1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877001 809008056 /nfs/dbraw/zinc/00/80/56/809008056.db2.gz KGFZWUSUQQEJAF-GJZGRUSLSA-N 2 1 310.442 -0.662 50 0 DBAAMP C[N@@H+](C[C@@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CC1 ZINC000952876557 809008467 /nfs/dbraw/zinc/00/84/67/809008467.db2.gz BABHPHWXDKUHNZ-HUUCEWRRSA-N 2 1 312.458 -0.239 50 0 DBAAMP [NH3+][C@@H](CO)C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000082107721 192356028 /nfs/dbraw/zinc/35/60/28/192356028.db2.gz DWTIOTWWHBIALN-HNNXBMFYSA-N 2 1 321.425 -0.033 50 0 DBAAMP CN(C)S(=O)(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)cc1 ZINC000077488177 374721134 /nfs/dbraw/zinc/72/11/34/374721134.db2.gz DXGFPWCHVDVMLY-CQSZACIVSA-N 2 1 313.423 -0.249 50 0 DBAAMP C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)N1CC[NH+](C)CC1 ZINC000219517751 376625702 /nfs/dbraw/zinc/62/57/02/376625702.db2.gz RRMLKDQCVJGJSL-KGLIPLIRSA-N 2 1 314.430 -0.321 50 0 DBAAMP C[N@H+](C[C@@H](O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877002 809008443 /nfs/dbraw/zinc/00/84/43/809008443.db2.gz KGFZWUSUQQEJAF-HUUCEWRRSA-N 2 1 310.442 -0.662 50 0 DBAAMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000952877002 809008453 /nfs/dbraw/zinc/00/84/53/809008453.db2.gz KGFZWUSUQQEJAF-HUUCEWRRSA-N 2 1 310.442 -0.662 50 0 DBAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCS(N)(=O)=O)CC1 ZINC000075603086 290084274 /nfs/dbraw/zinc/08/42/74/290084274.db2.gz DSZFDNIZAQWHSQ-LBPRGKRZSA-N 2 1 307.460 -0.310 50 0 DBAAMP Cc1nonc1OCCNC(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072472956 191175513 /nfs/dbraw/zinc/17/55/13/191175513.db2.gz NIFAFMPGXREKGR-GFCCVEGCSA-N 2 1 323.397 -0.053 50 0 DBAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000263278013 377206196 /nfs/dbraw/zinc/20/61/96/377206196.db2.gz RCAHBZDEZSFLEJ-OWCLPIDISA-N 2 1 324.469 -0.008 50 0 DBAAMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000263278013 377206206 /nfs/dbraw/zinc/20/62/06/377206206.db2.gz RCAHBZDEZSFLEJ-OWCLPIDISA-N 2 1 324.469 -0.008 50 0 DBAAMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000263278013 377206217 /nfs/dbraw/zinc/20/62/17/377206217.db2.gz RCAHBZDEZSFLEJ-OWCLPIDISA-N 2 1 324.469 -0.008 50 0 DBAAMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299748470 229390996 /nfs/dbraw/zinc/39/09/96/229390996.db2.gz HDQVXLCNIGKCNS-KBPBESRZSA-N 2 1 311.426 -0.140 50 0 DBAAMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000299744354 534659438 /nfs/dbraw/zinc/65/94/38/534659438.db2.gz SCPCUPDLNSGWHD-HOTGVXAUSA-N 2 1 319.405 -0.142 50 0 DBAAMP C[N@H+]1CCCN(CC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)CC1 ZINC000823778361 805240813 /nfs/dbraw/zinc/24/08/13/805240813.db2.gz LGQDPYYKDRWWHU-GJZGRUSLSA-N 2 1 310.442 -0.397 50 0 DBAAMP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](O)C3)o2)CC1 ZINC000082098375 192354933 /nfs/dbraw/zinc/35/49/33/192354933.db2.gz KCOWTNFQGBGRIU-ZIAGYGMSSA-N 2 1 322.409 -0.439 50 0 DBAAMP O=c1[nH][nH]c2c1CC[N@H+](Cc1cc3n(n1)CCC[NH2+]C3)CC2 ZINC000072152262 191057763 /nfs/dbraw/zinc/05/77/63/191057763.db2.gz ZMQKDNMIEBTTKR-UHFFFAOYSA-N 2 1 302.382 -0.006 50 0 DBAAMP O=c1[nH][nH]c2c1CC[N@@H+](Cc1cc3n(n1)CCC[NH2+]C3)CC2 ZINC000072152262 191057766 /nfs/dbraw/zinc/05/77/66/191057766.db2.gz ZMQKDNMIEBTTKR-UHFFFAOYSA-N 2 1 302.382 -0.006 50 0 DBAAMP Cc1nonc1OCCNC(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072472955 191175813 /nfs/dbraw/zinc/17/58/13/191175813.db2.gz NIFAFMPGXREKGR-LBPRGKRZSA-N 2 1 323.397 -0.053 50 0 DBAAMP C[NH+](C)C[C@H]1COCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000584890937 382345490 /nfs/dbraw/zinc/34/54/90/382345490.db2.gz WIMKBMMHGZGOBK-OAHLLOKOSA-N 2 1 312.458 -0.340 50 0 DBAAMP