smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601555187 362310001 /nfs/dbraw/zinc/31/00/01/362310001.db2.gz WSNXVPSJTXZBAW-RWMBFGLXSA-N 2 0 264.373 0.608 20 30 CCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958052 348500708 /nfs/dbraw/zinc/50/07/08/348500708.db2.gz LOTOHEAEHKIYRM-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000068105901 348799295 /nfs/dbraw/zinc/79/92/95/348799295.db2.gz IKAQNKPXPZGVOV-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP N#Cc1ncn(CC[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000556921071 291017294 /nfs/dbraw/zinc/01/72/94/291017294.db2.gz PPZOHNWHJKGYLJ-UHFFFAOYSA-N 2 0 274.372 0.614 20 30 CCEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000563247883 358557232 /nfs/dbraw/zinc/55/72/32/358557232.db2.gz WUHSHWPTQBCFKZ-CABCVRRESA-N 2 0 295.427 0.910 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000591770771 359657315 /nfs/dbraw/zinc/65/73/15/359657315.db2.gz YNFAMDYPBOVDHI-HUUCEWRRSA-N 2 0 282.432 0.514 20 30 CCEDRP N#CCN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592471068 359848642 /nfs/dbraw/zinc/84/86/42/359848642.db2.gz XWVLFCANGOWJOM-GZBFAFLISA-N 2 0 262.401 0.952 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[NH3+] ZINC000593915315 360210327 /nfs/dbraw/zinc/21/03/27/360210327.db2.gz ITODWCXGRLOXIF-AGIUHOORSA-N 2 0 266.389 0.983 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438845 360307711 /nfs/dbraw/zinc/30/77/11/360307711.db2.gz QABZZKPOKBTUOG-KGLIPLIRSA-N 2 0 296.415 0.625 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438848 360308258 /nfs/dbraw/zinc/30/82/58/360308258.db2.gz QABZZKPOKBTUOG-UONOGXRCSA-N 2 0 296.415 0.625 20 30 CCEDRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598701506 361489948 /nfs/dbraw/zinc/48/99/48/361489948.db2.gz WCWMCNBDVGOMIY-HNNXBMFYSA-N 2 0 296.459 0.904 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000490760775 261204102 /nfs/dbraw/zinc/20/41/02/261204102.db2.gz PDEMPTUJQKNUAK-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639044140 375541793 /nfs/dbraw/zinc/54/17/93/375541793.db2.gz FQKYWFOQBLLEJX-CYBMUJFWSA-N 2 0 256.390 0.748 20 30 CCEDRP C=CCN1CC[C@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000337189759 389051803 /nfs/dbraw/zinc/05/18/03/389051803.db2.gz RXWGMECTSRFMNW-HNNXBMFYSA-N 2 0 294.443 0.343 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303392398 389080812 /nfs/dbraw/zinc/08/08/12/389080812.db2.gz ZFSQAZIIPOIIGI-LBPRGKRZSA-N 2 0 255.410 0.327 20 30 CCEDRP C[NH+]1CCC(CNC(N)=[NH2+])(N2CCCCC2)CC1 ZINC000304360885 389082735 /nfs/dbraw/zinc/08/27/35/389082735.db2.gz XRQCGEAYFKYVKO-UHFFFAOYSA-N 2 0 253.394 0.210 20 30 CCEDRP CNC(=O)NC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330538004 389239435 /nfs/dbraw/zinc/23/94/35/389239435.db2.gz WMHVQYMPYLPHPI-UHFFFAOYSA-N 2 0 270.377 0.310 20 30 CCEDRP C[NH+]=C(NCCn1cccc1)NC[C@H]1CC[N@H+](C)C1 ZINC000261864606 389278162 /nfs/dbraw/zinc/27/81/62/389278162.db2.gz ZVFMNGJEKUAOOW-CYBMUJFWSA-N 2 0 263.389 0.605 20 30 CCEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)N1 ZINC000262625000 389290557 /nfs/dbraw/zinc/29/05/57/389290557.db2.gz DGALIJBJYOEYKK-WFASDCNBSA-N 2 0 288.395 0.691 20 30 CCEDRP [NH2+]=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccccn1 ZINC000170913133 389468534 /nfs/dbraw/zinc/46/85/34/389468534.db2.gz YOEMTBLJMYRETC-GFCCVEGCSA-N 2 0 277.372 0.655 20 30 CCEDRP OCC1CC[NH+](CC#CC[NH+]2CCC(CO)CC2)CC1 ZINC000351609316 389632735 /nfs/dbraw/zinc/63/27/35/389632735.db2.gz RENVMKSUWRLVAR-UHFFFAOYSA-N 2 0 280.412 0.398 20 30 CCEDRP COc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1C#N ZINC000414889075 389643820 /nfs/dbraw/zinc/64/38/20/389643820.db2.gz SOKASPSTWPLKGR-UHFFFAOYSA-N 2 0 274.368 0.562 20 30 CCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333166 389984489 /nfs/dbraw/zinc/98/44/89/389984489.db2.gz FDCMFLNQZMPVHJ-STQMWFEESA-N 2 0 251.374 0.610 20 30 CCEDRP C[N@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000535758230 390151814 /nfs/dbraw/zinc/15/18/14/390151814.db2.gz CVDWLLUSCDHBLJ-LBPRGKRZSA-N 2 0 296.440 0.528 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000578497981 390886526 /nfs/dbraw/zinc/88/65/26/390886526.db2.gz TZKNEPIDASPQCK-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC000662770980 414778391 /nfs/dbraw/zinc/77/83/91/414778391.db2.gz DVDDFWSQQKGFDP-YRGRVCCFSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662404949 414715018 /nfs/dbraw/zinc/71/50/18/414715018.db2.gz KZQOJMZSICFHQD-JSGCOSHPSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000662816959 414813931 /nfs/dbraw/zinc/81/39/31/414813931.db2.gz RKZAIRFEUYBWMK-OBJOEFQTSA-N 2 0 251.374 0.941 20 30 CCEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCCCC#N)CC1 ZINC000162499424 262332156 /nfs/dbraw/zinc/33/21/56/262332156.db2.gz JWCASZOZSZJBSF-AWEZNQCLSA-N 2 0 278.400 0.919 20 30 CCEDRP C[C@H]1C[NH+]=C(NCc2ccncc2OCCC[NH+](C)C)N1 ZINC000288806730 263106239 /nfs/dbraw/zinc/10/62/39/263106239.db2.gz ZVILWGYEPRXNAQ-LBPRGKRZSA-N 2 0 291.399 0.849 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnccc1OC ZINC000292233334 263129794 /nfs/dbraw/zinc/12/97/94/263129794.db2.gz BFHKXCWUPLIWPT-CYBMUJFWSA-N 2 0 291.399 0.979 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCOC1)NCC1([NH+](C)C)CCOCC1 ZINC000131763621 264381968 /nfs/dbraw/zinc/38/19/68/264381968.db2.gz DBVOGPXLRKFTIF-CYBMUJFWSA-N 2 0 298.431 0.299 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000262426559 330009851 /nfs/dbraw/zinc/00/98/51/330009851.db2.gz VWFHYYQDROZZLC-UHFFFAOYSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCNC(NC[C@@H]1C[N@H+](CC(C)C)CCO1)=[NH+]C ZINC000262506617 330018492 /nfs/dbraw/zinc/01/84/92/330018492.db2.gz AEERSMFGXQWUOD-CYBMUJFWSA-N 2 0 266.389 0.141 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)CCOCC1 ZINC000262526411 330019507 /nfs/dbraw/zinc/01/95/07/330019507.db2.gz LGSWGKOKLKEHIY-UHFFFAOYSA-N 2 0 268.405 0.802 20 30 CCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000262547896 330020744 /nfs/dbraw/zinc/02/07/44/330020744.db2.gz WIJFAOJQKRTLKU-LBPRGKRZSA-N 2 0 295.456 0.441 20 30 CCEDRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424148332 330294991 /nfs/dbraw/zinc/29/49/91/330294991.db2.gz UGIMBCSABXFTSM-UPJWGTAASA-N 2 0 266.389 0.997 20 30 CCEDRP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424157120 330304699 /nfs/dbraw/zinc/30/46/99/330304699.db2.gz PGMFLIZHMJUVFX-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424162404 330307364 /nfs/dbraw/zinc/30/73/64/330307364.db2.gz CQWUTAXTNBANCN-DDHJBXDOSA-N 2 0 252.362 0.510 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000424180776 330319001 /nfs/dbraw/zinc/31/90/01/330319001.db2.gz WKDTTXMLYMZTGD-ZIAGYGMSSA-N 2 0 278.400 0.856 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000424196675 330325634 /nfs/dbraw/zinc/32/56/34/330325634.db2.gz VMTASYPRIRWKFH-IUCAKERBSA-N 2 0 260.288 0.121 20 30 CCEDRP C=CCn1cc(C[NH2+][C@@H](CCC[NH3+])COC)nn1 ZINC000424371029 330348305 /nfs/dbraw/zinc/34/83/05/330348305.db2.gz FFGVYGLSZMLHFX-NSHDSACASA-N 2 0 253.350 0.308 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000491464514 332216980 /nfs/dbraw/zinc/21/69/80/332216980.db2.gz RKEJFDLONBPNRR-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000491782322 332346313 /nfs/dbraw/zinc/34/63/13/332346313.db2.gz OZBBKGSBVHIPGN-SNVBAGLBSA-N 2 0 276.331 0.223 20 30 CCEDRP C=CCCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000580545130 335271949 /nfs/dbraw/zinc/27/19/49/335271949.db2.gz BJZMVVGZHDOHIU-AWEZNQCLSA-N 2 0 255.406 0.541 20 30 CCEDRP OC[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CO ZINC000792863475 581274446 /nfs/dbraw/zinc/27/44/46/581274446.db2.gz WKXSGUAGAQPGQP-HOTGVXAUSA-N 2 0 280.412 0.683 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000764608852 582058124 /nfs/dbraw/zinc/05/81/24/582058124.db2.gz QKBLUKLGCYDQRD-NWDGAFQWSA-N 2 0 251.374 0.846 20 30 CCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919025 613017439 /nfs/dbraw/zinc/01/74/39/613017439.db2.gz MEDNIRPXSDMPPP-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN(C(=O)[C@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886573785 613068879 /nfs/dbraw/zinc/06/88/79/613068879.db2.gz WISLYCBUSHDPRZ-LBPRGKRZSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330413 613090010 /nfs/dbraw/zinc/09/00/10/613090010.db2.gz GABLHANPAWIDIS-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000968904014 612963775 /nfs/dbraw/zinc/96/37/75/612963775.db2.gz GCRSVAWBGWMDPS-LSDHHAIUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCOCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000852147705 612989300 /nfs/dbraw/zinc/98/93/00/612989300.db2.gz IXJUGKXVPMZDKF-UHFFFAOYSA-N 2 0 267.417 0.642 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969699994 612993892 /nfs/dbraw/zinc/99/38/92/612993892.db2.gz MLNDXRXHECNIBV-UMVBOHGHSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549811 613022702 /nfs/dbraw/zinc/02/27/02/613022702.db2.gz YKQKVOCUAKPWCG-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883124235 613030143 /nfs/dbraw/zinc/03/01/43/613030143.db2.gz BCAMBVRJQSHGEL-INIZCTEOSA-N 2 0 287.407 0.912 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961596909 613044257 /nfs/dbraw/zinc/04/42/57/613044257.db2.gz LBHOJMPEBHAGQT-RFBLXINOSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971793692 613091686 /nfs/dbraw/zinc/09/16/86/613091686.db2.gz FOKODKOOYFNMKI-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC=C)C2)CC1 ZINC000970792807 613129261 /nfs/dbraw/zinc/12/92/61/613129261.db2.gz XHZNWNIEQVWDCF-OAHLLOKOSA-N 2 0 275.396 0.708 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000914392094 613134405 /nfs/dbraw/zinc/13/44/05/613134405.db2.gz SKFNMFKDCHGIKS-AWEZNQCLSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000928653035 613135764 /nfs/dbraw/zinc/13/57/64/613135764.db2.gz WJDIIBNTQXTBAK-HNNXBMFYSA-N 2 0 275.396 0.827 20 30 CCEDRP C#Cc1cnc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000866010500 613210209 /nfs/dbraw/zinc/21/02/09/613210209.db2.gz KZWJVSSKSUKPRV-HUUCEWRRSA-N 2 0 287.411 0.634 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000960264765 613315788 /nfs/dbraw/zinc/31/57/88/613315788.db2.gz IQHZFQVQKUPZCX-WCVJEAGWSA-N 2 0 289.423 0.644 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000853132368 613326249 /nfs/dbraw/zinc/32/62/49/613326249.db2.gz SJVKZNJQMDTEGH-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970716827 613348185 /nfs/dbraw/zinc/34/81/85/613348185.db2.gz GBFCJGCLZKBBPM-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913696039 613363850 /nfs/dbraw/zinc/36/38/50/613363850.db2.gz ZQQCIWOGAQRFTQ-UHFFFAOYSA-N 2 0 297.443 0.801 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854568854 613365861 /nfs/dbraw/zinc/36/58/61/613365861.db2.gz FLYAWPCCQUNGRE-AWEZNQCLSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887927753 613366269 /nfs/dbraw/zinc/36/62/69/613366269.db2.gz HHKDXOXXECFOLN-GXTWGEPZSA-N 2 0 251.374 0.514 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000876724179 613387834 /nfs/dbraw/zinc/38/78/34/613387834.db2.gz POCSVSZISPLBOC-GFCCVEGCSA-N 2 0 289.807 0.419 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872264391 613389787 /nfs/dbraw/zinc/38/97/87/613389787.db2.gz SBYIKVOSHSPVDQ-WCFLWFBJSA-N 2 0 271.792 0.914 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970876060 613536144 /nfs/dbraw/zinc/53/61/44/613536144.db2.gz BTGXIVCIYXPGLJ-QWHCGFSZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283162 613591003 /nfs/dbraw/zinc/59/10/03/613591003.db2.gz SJUWPSSFGMTJSX-GJZGRUSLSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169377 613595888 /nfs/dbraw/zinc/59/58/88/613595888.db2.gz OQVSRZJLEWLVGE-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510243 613846037 /nfs/dbraw/zinc/84/60/37/613846037.db2.gz FKFSTTIYUMLFAC-GASCZTMLSA-N 2 0 292.427 0.189 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843339925 613886071 /nfs/dbraw/zinc/88/60/71/613886071.db2.gz DTDBDLQFCIRTCX-YNEHKIRRSA-N 2 0 272.414 0.565 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852800010 614229016 /nfs/dbraw/zinc/22/90/16/614229016.db2.gz WAZHFGVNJCLOID-OAHLLOKOSA-N 2 0 265.401 0.869 20 30 CCEDRP CCCC[C@@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884042714 614473792 /nfs/dbraw/zinc/47/37/92/614473792.db2.gz GSQBYTABNLFLRC-ICRTXTNUSA-N 2 0 278.400 0.759 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000872276356 614702042 /nfs/dbraw/zinc/70/20/42/614702042.db2.gz OERONICVCYWCNK-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874280 615013372 /nfs/dbraw/zinc/01/33/72/615013372.db2.gz JRZJULUURSIKNX-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000104174733 615158923 /nfs/dbraw/zinc/15/89/23/615158923.db2.gz LNQYLPSHVWFKBL-KBPBESRZSA-N 2 0 299.463 0.199 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852874104 615760213 /nfs/dbraw/zinc/76/02/13/615760213.db2.gz KUFCISIGKHSWOD-YIONKMFJSA-N 2 0 275.396 0.731 20 30 CCEDRP C[NH+](C)[C@]1(CNC(=O)C#CC2CC[NH2+]CC2)CCSC1 ZINC000852859750 615998943 /nfs/dbraw/zinc/99/89/43/615998943.db2.gz ZLWHCTFNBKMYBU-HNNXBMFYSA-N 2 0 295.452 0.543 20 30 CCEDRP C[NH+]1CCC(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852862533 616169906 /nfs/dbraw/zinc/16/99/06/616169906.db2.gz ABVOINDAWJAFQW-UHFFFAOYSA-N 2 0 263.385 0.447 20 30 CCEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CCN(CC#N)CC1 ZINC000924998655 616362192 /nfs/dbraw/zinc/36/21/92/616362192.db2.gz FGNRFPHETLAORC-NNQSOWQGSA-N 2 0 262.401 0.904 20 30 CCEDRP COCCC1(C(=O)NCC#CC[NH+](C)C)CC[NH+](C)CC1 ZINC000913523721 616837576 /nfs/dbraw/zinc/83/75/76/616837576.db2.gz JTFWHTGTKGRISK-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001026553017 625469883 /nfs/dbraw/zinc/46/98/83/625469883.db2.gz JYSTXNRUYVCTMF-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001022710610 622681683 /nfs/dbraw/zinc/68/16/83/622681683.db2.gz LLYWOVHPYDYPPE-RWMBFGLXSA-N 2 0 251.374 0.894 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001022809154 622775159 /nfs/dbraw/zinc/77/51/59/622775159.db2.gz FQYQGKNDHCAKEC-OKILXGFUSA-N 2 0 263.385 0.588 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023083822 622901371 /nfs/dbraw/zinc/90/13/71/622901371.db2.gz AKIGWUKIJXZKHT-UPJWGTAASA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372155 623016920 /nfs/dbraw/zinc/01/69/20/623016920.db2.gz OQORUFAASRPORP-GOEBONIOSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781602 623882419 /nfs/dbraw/zinc/88/24/19/623882419.db2.gz KWNWATZKSAMYNO-ZVDSWSACSA-N 2 0 287.407 0.540 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021047883 624651202 /nfs/dbraw/zinc/65/12/02/624651202.db2.gz QSAGDCIKAYMUKO-IJLUTSLNSA-N 2 0 271.792 0.927 20 30 CCEDRP [NH2+]=C(NCC[NH+]1CCCCC1)NC[C@@H]1CCCO1 ZINC000261727529 631551137 /nfs/dbraw/zinc/55/11/37/631551137.db2.gz GVCRPZOIQZVZAH-LBPRGKRZSA-N 2 0 254.378 0.556 20 30 CCEDRP C[C@H]1CN(C2CC2)CC1=NNCCCN1CCOCC1 ZINC000799488981 632819935 /nfs/dbraw/zinc/81/99/35/632819935.db2.gz NGADCVPDTWEWDQ-ZDUSSCGKSA-N 2 0 280.416 0.768 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010369898 650207896 /nfs/dbraw/zinc/20/78/96/650207896.db2.gz PPVAWGNGXDORQO-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996669448 638827613 /nfs/dbraw/zinc/82/76/13/638827613.db2.gz GZLGWPYYRIQPCZ-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000997003588 638848193 /nfs/dbraw/zinc/84/81/93/638848193.db2.gz CJPSPWGEMJNTPQ-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000108398 639040404 /nfs/dbraw/zinc/04/04/04/639040404.db2.gz ZVRRGLVZLVNETE-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001000519306 639109429 /nfs/dbraw/zinc/10/94/29/639109429.db2.gz UEUJEGIAEQQTBK-OAHLLOKOSA-N 2 0 275.396 0.852 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001833250 639343396 /nfs/dbraw/zinc/34/33/96/639343396.db2.gz JYABQUOIFMCBMF-ZFWWWQNUSA-N 2 0 277.412 0.646 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016252101 650705743 /nfs/dbraw/zinc/70/57/43/650705743.db2.gz YWKKDZGYLDGMSD-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016968548 650775158 /nfs/dbraw/zinc/77/51/58/650775158.db2.gz GJMSVZQDUPRQTJ-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000841849811 642843283 /nfs/dbraw/zinc/84/32/83/642843283.db2.gz LRORCPAKEBAGFR-NEPJUHHUSA-N 2 0 264.373 0.513 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000852859700 644027810 /nfs/dbraw/zinc/02/78/10/644027810.db2.gz XXNXNRGWPAHNOQ-GJZGRUSLSA-N 2 0 275.396 0.732 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852862972 644029925 /nfs/dbraw/zinc/02/99/25/644029925.db2.gz NZJAHFCDEDOADU-CYBMUJFWSA-N 2 0 261.369 0.342 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000852865206 644031181 /nfs/dbraw/zinc/03/11/81/644031181.db2.gz VGCGWTJZMSMSJC-OAHLLOKOSA-N 2 0 275.396 0.686 20 30 CCEDRP [NH3+][C@H]1CCc2ncc(NC(=O)C#CC3CC[NH2+]CC3)cc2C1 ZINC000852875464 644036541 /nfs/dbraw/zinc/03/65/41/644036541.db2.gz XASNQIOFVPJHFH-AWEZNQCLSA-N 2 0 298.390 0.839 20 30 CCEDRP [NH3+]CC[C@@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852879907 644039674 /nfs/dbraw/zinc/03/96/74/644039674.db2.gz HRBIIBMYBCKGGK-AWEZNQCLSA-N 2 0 263.385 0.719 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001019652829 650995884 /nfs/dbraw/zinc/99/58/84/650995884.db2.gz XRQZTBYCEPMKAY-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001019780162 651005186 /nfs/dbraw/zinc/00/51/86/651005186.db2.gz MGXGTDOOTLNDGJ-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867972793 645694124 /nfs/dbraw/zinc/69/41/24/645694124.db2.gz KCVFYYHNZUDQFW-WBVHZDCISA-N 2 0 298.390 0.942 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020149844 651044726 /nfs/dbraw/zinc/04/47/26/651044726.db2.gz FDTBHMGSMHAJCE-TUVASFSCSA-N 2 0 275.396 0.731 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514213 646616104 /nfs/dbraw/zinc/61/61/04/646616104.db2.gz UUVGSDPIIBQEBD-CJNGLKHVSA-N 2 0 298.390 0.942 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525289 646619816 /nfs/dbraw/zinc/61/98/16/646619816.db2.gz IFSOTBVSEJVWQI-MLGOLLRUSA-N 2 0 298.390 0.861 20 30 CCEDRP C[C@@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876795419 646665484 /nfs/dbraw/zinc/66/54/84/646665484.db2.gz FUNSJMVJDJUMOF-IINYFYTJSA-N 2 0 272.352 0.599 20 30 CCEDRP C[C@@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H](C)[NH3+] ZINC000876860997 646683785 /nfs/dbraw/zinc/68/37/85/646683785.db2.gz OVYYLBYSPCXXHC-RBZYPMLTSA-N 2 0 272.352 0.597 20 30 CCEDRP C[C@@](C[NH3+])(NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884031444 647618563 /nfs/dbraw/zinc/61/85/63/647618563.db2.gz PFWLEFBVNUFIRN-AYASRVIFSA-N 2 0 276.384 0.369 20 30 CCEDRP C[C@@H](CC[NH+](C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884201889 647666881 /nfs/dbraw/zinc/66/68/81/647666881.db2.gz KIUMKJJIEGWQIN-OYNVLQORSA-N 2 0 278.400 0.582 20 30 CCEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006399446 647903475 /nfs/dbraw/zinc/90/34/75/647903475.db2.gz KQUHYGLZEZHIIX-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000303466693 649821421 /nfs/dbraw/zinc/82/14/21/649821421.db2.gz FKWNQNPDVMDVGT-NWDGAFQWSA-N 2 0 268.405 0.813 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303791627 649825216 /nfs/dbraw/zinc/82/52/16/649825216.db2.gz XVPGYXAMLPUORR-AVGNSLFASA-N 2 0 286.420 0.425 20 30 CCEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)NCC1CCC1 ZINC000303904103 649826792 /nfs/dbraw/zinc/82/67/92/649826792.db2.gz USNJRPZFCGOWID-UHFFFAOYSA-N 2 0 268.405 0.803 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303969198 649827202 /nfs/dbraw/zinc/82/72/02/649827202.db2.gz BOAAURKXHRORGH-LBPRGKRZSA-N 2 0 297.447 0.537 20 30 CCEDRP C[NH+]=C(NCCN1CCC([NH+](C)C)CC1)NC1CC1 ZINC000304754475 649838200 /nfs/dbraw/zinc/83/82/00/649838200.db2.gz YWKYLCMKBHOPPA-UHFFFAOYSA-N 2 0 267.421 0.340 20 30 CCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266267217 790360924 /nfs/dbraw/zinc/36/09/24/790360924.db2.gz SYRNIHQQWDXDGC-OAHLLOKOSA-N 2 0 296.459 0.637 20 30 CCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001098540336 790913430 /nfs/dbraw/zinc/91/34/30/790913430.db2.gz DHFVLVLVFWELDY-UHFFFAOYSA-N 2 0 295.427 0.247 20 30 CCEDRP C=CCC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266980618 791415244 /nfs/dbraw/zinc/41/52/44/791415244.db2.gz ATYYGKBMCMSEKP-CYBMUJFWSA-N 2 0 283.416 0.768 20 30 CCEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266992444 791426502 /nfs/dbraw/zinc/42/65/02/791426502.db2.gz BLRBNSFKUXGYCK-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267133001 791578393 /nfs/dbraw/zinc/57/83/93/791578393.db2.gz VXCVJQYCSPDSGJ-LBPRGKRZSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246021638 807119763 /nfs/dbraw/zinc/11/97/63/807119763.db2.gz LCAYFVNSDDFGQY-HZSPNIEDSA-N 2 0 256.390 0.857 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001277863696 806267389 /nfs/dbraw/zinc/26/73/89/806267389.db2.gz QZYRJSPSCWTZIC-CQSZACIVSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277915553 806342368 /nfs/dbraw/zinc/34/23/68/806342368.db2.gz AEGKTIGJUVKHBO-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001277947204 806426952 /nfs/dbraw/zinc/42/69/52/806426952.db2.gz IZHMCDNZHUNUPH-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCCCCC[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235871709 806512032 /nfs/dbraw/zinc/51/20/32/806512032.db2.gz WAJZEVORJBXFJG-UHFFFAOYSA-N 2 0 268.449 0.817 20 30 CCEDRP N#Cc1nccnc1N1CC[NH+](CCCC[NH3+])CC1 ZINC001235890241 806512953 /nfs/dbraw/zinc/51/29/53/806512953.db2.gz CRAJBOHIPMJDGO-UHFFFAOYSA-N 2 0 260.345 0.209 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCO)CC1 ZINC001236434302 806591752 /nfs/dbraw/zinc/59/17/52/806591752.db2.gz QCCLSHQBCGSPAX-UHFFFAOYSA-N 2 0 267.417 0.660 20 30 CCEDRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001277989534 806597615 /nfs/dbraw/zinc/59/76/15/806597615.db2.gz ZHHQHLIMMAJXFT-ZIAGYGMSSA-N 2 0 283.416 0.413 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001120574244 798871849 /nfs/dbraw/zinc/87/18/49/798871849.db2.gz LOVYZSUMTZJWKX-KBPBESRZSA-N 2 0 268.405 0.124 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001121919802 799092806 /nfs/dbraw/zinc/09/28/06/799092806.db2.gz GJJNYIGFQFTSHM-DOMZBBRYSA-N 2 0 263.385 0.895 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC001121997408 799117102 /nfs/dbraw/zinc/11/71/02/799117102.db2.gz WEBVTIRVLGWNFB-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177934 799161896 /nfs/dbraw/zinc/16/18/96/799161896.db2.gz OBMPPUPTPVUUKQ-HOUHCIJLSA-N 2 0 289.423 0.978 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCC[NH2+]CC1 ZINC001122495076 799249012 /nfs/dbraw/zinc/24/90/12/799249012.db2.gz NVGLLELTMIKDCL-CQSZACIVSA-N 2 0 263.385 0.495 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195363 800323619 /nfs/dbraw/zinc/32/36/19/800323619.db2.gz YTPBXBQBHPEXER-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150796566 800368550 /nfs/dbraw/zinc/36/85/50/800368550.db2.gz VUQHTIUTUIEHTN-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159807 800405874 /nfs/dbraw/zinc/40/58/74/800405874.db2.gz UGMXZGMDYNGZTK-CYBMUJFWSA-N 2 0 269.389 0.237 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315045 800620368 /nfs/dbraw/zinc/62/03/68/800620368.db2.gz VNBQWMFKTFDYBC-UHFFFAOYSA-N 2 0 295.427 0.608 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824671 800673146 /nfs/dbraw/zinc/67/31/46/800673146.db2.gz VVXGJEGKSRTHBA-TZMCWYRMSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001278294803 806891791 /nfs/dbraw/zinc/89/17/91/806891791.db2.gz WETMOXOYZRVSQC-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001157721032 801462627 /nfs/dbraw/zinc/46/26/27/801462627.db2.gz RYZFZVCOCWCUFF-CYBMUJFWSA-N 2 0 275.356 0.390 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C[NH3+])[C@@H]2C)C1 ZINC001157840429 801498331 /nfs/dbraw/zinc/49/83/31/801498331.db2.gz AUORGQGRXUZHFB-OBJOEFQTSA-N 2 0 251.374 0.880 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288596 801614520 /nfs/dbraw/zinc/61/45/20/801614520.db2.gz XWOYVFWCIZKQEX-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379709 801628410 /nfs/dbraw/zinc/62/84/10/801628410.db2.gz GFEKFQVKCIULJV-ZIAGYGMSSA-N 2 0 283.416 0.625 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159289833 801785371 /nfs/dbraw/zinc/78/53/71/801785371.db2.gz BKVAYBXDGPDYCQ-AWEZNQCLSA-N 2 0 261.369 0.281 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159860666 801881977 /nfs/dbraw/zinc/88/19/77/801881977.db2.gz AWLASNANNKLUDG-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001160437476 801940661 /nfs/dbraw/zinc/94/06/61/801940661.db2.gz XIRQNEYYLNRIMP-HNNXBMFYSA-N 2 0 296.459 0.812 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(CCC#N)CCC#N ZINC001160751058 802014053 /nfs/dbraw/zinc/01/40/53/802014053.db2.gz QCTWYLLZCLJXBF-LBPRGKRZSA-N 2 0 265.361 0.359 20 30 CCEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161856653 802232395 /nfs/dbraw/zinc/23/23/95/802232395.db2.gz CFWMAIJSIKERRW-HNNXBMFYSA-N 2 0 275.396 0.710 20 30 CCEDRP Cc1nnc(C[NH3+])n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001163347075 802540969 /nfs/dbraw/zinc/54/09/69/802540969.db2.gz YXRUEHRYOAIREY-UHFFFAOYSA-N 2 0 283.339 0.337 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694074 802940788 /nfs/dbraw/zinc/94/07/88/802940788.db2.gz VDIMBUQRLBRWEV-QWHCGFSZSA-N 2 0 251.374 0.303 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699315 803042699 /nfs/dbraw/zinc/04/26/99/803042699.db2.gz IEIKHCIYPAXDBF-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674060 803657016 /nfs/dbraw/zinc/65/70/16/803657016.db2.gz MNKIKPDPNQAFFJ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[N@H+](CCC[NH3+])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402210917 803817421 /nfs/dbraw/zinc/81/74/21/803817421.db2.gz JFCOQMYWLSRPLV-CYBMUJFWSA-N 2 0 263.341 0.579 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215541252 803819556 /nfs/dbraw/zinc/81/95/56/803819556.db2.gz WNLYVGVANUBWON-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216851952 803860373 /nfs/dbraw/zinc/86/03/73/803860373.db2.gz LWGWPOLGZCHVPZ-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP N#Cc1c(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)sc2c1CC[NH2+]C2 ZINC001218552249 804002295 /nfs/dbraw/zinc/00/22/95/804002295.db2.gz CZEVDSVSTALOSA-IAZYJMLFSA-N 2 0 288.376 0.669 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218601002 804030505 /nfs/dbraw/zinc/03/05/05/804030505.db2.gz WYAAKGVXQFDIPU-UONOGXRCSA-N 2 0 281.400 0.426 20 30 CCEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(C#C)n1 ZINC001218657996 804068715 /nfs/dbraw/zinc/06/87/15/804068715.db2.gz YBHQZODLQCJGGP-ZDUSSCGKSA-N 2 0 299.378 0.437 20 30 CCEDRP CC(=O)/C=C(/C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219910191 804444912 /nfs/dbraw/zinc/44/49/12/804444912.db2.gz RYYVVILWNFUWMH-PRDAAYKISA-N 2 0 265.357 0.470 20 30 CCEDRP CC(C)(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(C#N)cc1 ZINC001219988493 804465985 /nfs/dbraw/zinc/46/59/85/804465985.db2.gz YALKTUGVDKTPBC-AWEZNQCLSA-N 2 0 298.390 0.719 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230988 804544706 /nfs/dbraw/zinc/54/47/06/804544706.db2.gz WINUDRBIVIPVNS-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220700825 804651560 /nfs/dbraw/zinc/65/15/60/804651560.db2.gz PERVFPQHGMLIJK-STQMWFEESA-N 2 0 278.400 0.915 20 30 CCEDRP C=C1CC=C(F)C=C1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220797746 804668560 /nfs/dbraw/zinc/66/85/60/804668560.db2.gz VMSZZGRYEUKFOI-NSHDSACASA-N 2 0 263.316 0.609 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H](N)C(=O)OC ZINC001220868125 804683898 /nfs/dbraw/zinc/68/38/98/804683898.db2.gz BWFTVVBFCDRQMM-RYUDHWBXSA-N 2 0 283.372 0.034 20 30 CCEDRP C#CC1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCCCC1 ZINC001221275900 804762095 /nfs/dbraw/zinc/76/20/95/804762095.db2.gz JYBYFZCXJVTTKA-LBPRGKRZSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221920764 804854425 /nfs/dbraw/zinc/85/44/25/804854425.db2.gz VNCKIBYDKUVCOF-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@]2(CCCCN2)C1 ZINC001222669048 804925136 /nfs/dbraw/zinc/92/51/36/804925136.db2.gz RBGOBMYSUQOSLG-CQSZACIVSA-N 2 0 252.406 0.180 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277299317 805445804 /nfs/dbraw/zinc/44/58/04/805445804.db2.gz PWGCAVDHQGTOMV-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228879117 805485897 /nfs/dbraw/zinc/48/58/97/805485897.db2.gz DXGHLFBIRRAZLL-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717249 805551404 /nfs/dbraw/zinc/55/14/04/805551404.db2.gz PELDJJUEIMWWJO-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246046760 807131344 /nfs/dbraw/zinc/13/13/44/807131344.db2.gz PATPFJWBWWTUDS-RHBQXOTJSA-N 2 0 294.395 0.254 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059681 807137660 /nfs/dbraw/zinc/13/76/60/807137660.db2.gz LSSWLWBHYPDHTK-MGPQQGTHSA-N 2 0 252.358 0.071 20 30 CCEDRP N#Cc1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246077231 807144207 /nfs/dbraw/zinc/14/42/07/807144207.db2.gz QXCDAWATIBFVEX-AWEZNQCLSA-N 2 0 256.353 0.742 20 30 CCEDRP C=CCOC1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246577619 807300349 /nfs/dbraw/zinc/30/03/49/807300349.db2.gz BQIKRARSDFZMQW-GFJIZPEISA-N 2 0 254.374 0.752 20 30 CCEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579360 807300734 /nfs/dbraw/zinc/30/07/34/807300734.db2.gz ISBXIBRVYKYZHW-BYCMXARLSA-N 2 0 259.353 0.741 20 30 CCEDRP C=CCOC(=O)N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246950351 807439291 /nfs/dbraw/zinc/43/92/91/807439291.db2.gz WVGHGGKDFJJUAS-ZDUSSCGKSA-N 2 0 294.399 0.021 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001278486762 807462924 /nfs/dbraw/zinc/46/29/24/807462924.db2.gz JKMQTWLCVATUFX-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001251896934 807741075 /nfs/dbraw/zinc/74/10/75/807741075.db2.gz QBRRQHLMGIVZJK-MGPQQGTHSA-N 2 0 254.374 0.460 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001252465664 807877856 /nfs/dbraw/zinc/87/78/56/807877856.db2.gz IUEUFUVAGYHJDC-AWEZNQCLSA-N 2 0 256.390 0.824 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001252472230 807883113 /nfs/dbraw/zinc/88/31/13/807883113.db2.gz QFXSVVVRYMSBAY-HZSPNIEDSA-N 2 0 254.374 0.433 20 30 CCEDRP C=C[C@](C)(O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252560607 807910353 /nfs/dbraw/zinc/91/03/53/807910353.db2.gz UVXJSSLKYIVSLJ-HNNXBMFYSA-N 2 0 267.417 0.637 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728981 808077981 /nfs/dbraw/zinc/07/79/81/808077981.db2.gz YWWPZFDPEMXXKA-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001253576981 808086114 /nfs/dbraw/zinc/08/61/14/808086114.db2.gz JIHRDBKIDKRWLG-RBSFLKMASA-N 2 0 284.400 0.202 20 30 CCEDRP C=C[C@@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001253580844 808088403 /nfs/dbraw/zinc/08/84/03/808088403.db2.gz ZPRDJIDSLBMDNU-CQSZACIVSA-N 2 0 257.422 0.739 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001278761303 808179424 /nfs/dbraw/zinc/17/94/24/808179424.db2.gz DFUUTTNNPYGMDI-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1CCS(=O)(=O)C1 ZINC001254328439 808211944 /nfs/dbraw/zinc/21/19/44/808211944.db2.gz RDLLJFQPCPUERP-AWEZNQCLSA-N 2 0 295.408 0.840 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001278803513 808273656 /nfs/dbraw/zinc/27/36/56/808273656.db2.gz ACYGGHPCNMWSRQ-OLZOCXBDSA-N 2 0 271.405 0.312 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278833905 808306995 /nfs/dbraw/zinc/30/69/95/808306995.db2.gz YLNZIPIXPNTXSB-KBPBESRZSA-N 2 0 283.416 0.313 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882653 808424167 /nfs/dbraw/zinc/42/41/67/808424167.db2.gz LDFIUVQNQIBQEU-LSDHHAIUSA-N 2 0 297.443 0.655 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC001262566762 809345448 /nfs/dbraw/zinc/34/54/48/809345448.db2.gz ZKASOEJVTATXAQ-CQSZACIVSA-N 2 0 268.401 0.587 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001263828054 809581283 /nfs/dbraw/zinc/58/12/83/809581283.db2.gz YYAVZCFVEMOVIF-QLFBSQMISA-N 2 0 295.427 0.768 20 30 CCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001264635818 809667453 /nfs/dbraw/zinc/66/74/53/809667453.db2.gz JBFMCHXGJUWQBO-OAHLLOKOSA-N 2 0 295.427 0.554 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001265257987 809733708 /nfs/dbraw/zinc/73/37/08/809733708.db2.gz VEOZYWGLVSZYLS-CQSZACIVSA-N 2 0 280.416 0.000 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265492303 809791983 /nfs/dbraw/zinc/79/19/83/809791983.db2.gz NVXIQXHGNDOPTP-JOCQHMNTSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001265557936 809804095 /nfs/dbraw/zinc/80/40/95/809804095.db2.gz HTIRFFDYDLEWIH-MJBXVCDLSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265590984 809810812 /nfs/dbraw/zinc/81/08/12/809810812.db2.gz LZACNOWZSUMXKH-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266119687 809939151 /nfs/dbraw/zinc/93/91/51/809939151.db2.gz KCADCIHFBLJBJP-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266120434 809939417 /nfs/dbraw/zinc/93/94/17/809939417.db2.gz ZCGKAEBWQVMHER-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001267444470 811308274 /nfs/dbraw/zinc/30/82/74/811308274.db2.gz FJBIYAYCBVLAKA-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267993356 811930696 /nfs/dbraw/zinc/93/06/96/811930696.db2.gz XUUSEHIETHKJAO-CQSZACIVSA-N 2 0 295.427 0.320 20 30 CCEDRP C#CCN(C)CCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000385677146 812224501 /nfs/dbraw/zinc/22/45/01/812224501.db2.gz CCWJWYVBJYTZNI-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001268226300 812382854 /nfs/dbraw/zinc/38/28/54/812382854.db2.gz GVXGAGHVKLRROB-LSDHHAIUSA-N 2 0 295.427 0.318 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262932 812528777 /nfs/dbraw/zinc/52/87/77/812528777.db2.gz GFHROTHNACRHRH-CYBMUJFWSA-N 2 0 261.369 0.296 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451698 812584272 /nfs/dbraw/zinc/58/42/72/812584272.db2.gz OWCUBGZDYVYLCJ-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028316629 812615057 /nfs/dbraw/zinc/61/50/57/812615057.db2.gz SCDVGZWMPMOTLP-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028444907 812710155 /nfs/dbraw/zinc/71/01/55/812710155.db2.gz IGWWOAZOPDWDIW-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268651430 812978132 /nfs/dbraw/zinc/97/81/32/812978132.db2.gz RXNQZDYTEICJQM-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624303 812987964 /nfs/dbraw/zinc/98/79/64/812987964.db2.gz VZACFKDWQTUQTN-OAHLLOKOSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268742900 813056473 /nfs/dbraw/zinc/05/64/73/813056473.db2.gz MKHXPSJHBWZDFN-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269535619 813407274 /nfs/dbraw/zinc/40/72/74/813407274.db2.gz TWIVLTCMEPHUPF-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270485979 813780971 /nfs/dbraw/zinc/78/09/71/813780971.db2.gz HWQGNRBVPMWNJX-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810575 814125166 /nfs/dbraw/zinc/12/51/66/814125166.db2.gz LVRGKWKFJXWKNG-LXTVHRRPSA-N 2 0 275.396 0.493 20 30 CCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001271144525 814206172 /nfs/dbraw/zinc/20/61/72/814206172.db2.gz CKJZGONXTDXPPS-HOCLYGCPSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001271144523 814206292 /nfs/dbraw/zinc/20/62/92/814206292.db2.gz CKJZGONXTDXPPS-GDBMZVCRSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001271160680 814252988 /nfs/dbraw/zinc/25/29/88/814252988.db2.gz XKUPSWJJDVBECD-HIFRSBDPSA-N 2 0 281.400 0.210 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001271816139 814592745 /nfs/dbraw/zinc/59/27/45/814592745.db2.gz WFQLCMYETDHUIH-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001271894221 814623489 /nfs/dbraw/zinc/62/34/89/814623489.db2.gz SWYOLJWUPSSOSU-UONOGXRCSA-N 2 0 267.417 0.936 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168146698 814739689 /nfs/dbraw/zinc/73/96/89/814739689.db2.gz IWMXVZFDSDPKIC-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001120609084 816160470 /nfs/dbraw/zinc/16/04/70/816160470.db2.gz ZMBQSWQZVQGJLM-RYUDHWBXSA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001272384231 816379034 /nfs/dbraw/zinc/37/90/34/816379034.db2.gz NUBSMQFFTZFRJG-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001272513988 816539556 /nfs/dbraw/zinc/53/95/56/816539556.db2.gz RUKNVZOAFXVJHD-CQSZACIVSA-N 2 0 283.416 0.361 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083750153 816983481 /nfs/dbraw/zinc/98/34/81/816983481.db2.gz HWIKRHLKWOCOCS-KGLIPLIRSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127563217 817277734 /nfs/dbraw/zinc/27/77/34/817277734.db2.gz USMSJTXHOJBQKH-CABCVRRESA-N 2 0 293.411 0.072 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031921520 817464717 /nfs/dbraw/zinc/46/47/17/817464717.db2.gz RTXPQIANQYGMLG-JSGCOSHPSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785812 817868350 /nfs/dbraw/zinc/86/83/50/817868350.db2.gz QSGMUBYDYXRJCB-KGLIPLIRSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CCN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273028944 818479727 /nfs/dbraw/zinc/47/97/27/818479727.db2.gz BKQPUYYFIKNJOZ-UHFFFAOYSA-N 2 0 279.384 0.085 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215326 819128216 /nfs/dbraw/zinc/12/82/16/819128216.db2.gz XWVXLGAWCMCHBM-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524516 819228304 /nfs/dbraw/zinc/22/83/04/819228304.db2.gz HCMJWFRTHMJSBG-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035669532 819606613 /nfs/dbraw/zinc/60/66/13/819606613.db2.gz SFVSKGBSTKDYDX-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036052558 819678304 /nfs/dbraw/zinc/67/83/04/819678304.db2.gz AYPLOCOXCFYIPH-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001036052567 819678893 /nfs/dbraw/zinc/67/88/93/819678893.db2.gz AYPLOCOXCFYIPH-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168764329 820295699 /nfs/dbraw/zinc/29/56/99/820295699.db2.gz YQVLANHPMSJJOL-CYBMUJFWSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903740 821425573 /nfs/dbraw/zinc/42/55/73/821425573.db2.gz ORQCMNSLRGWZPS-KFWWJZLASA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958010 821442304 /nfs/dbraw/zinc/44/23/04/821442304.db2.gz IKXVXTHVLIREJU-KBMXLJTQSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085674444 821889933 /nfs/dbraw/zinc/88/99/33/821889933.db2.gz WHBIWGVHESQZMX-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188813 837717780 /nfs/dbraw/zinc/71/77/80/837717780.db2.gz KILMJQUXIPJOSB-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001183399024 844012976 /nfs/dbraw/zinc/01/29/76/844012976.db2.gz LUWTZMCRLRPJED-GDBMZVCRSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130300227 837754189 /nfs/dbraw/zinc/75/41/89/837754189.db2.gz KHZUIKBSDKRFLC-ZDUSSCGKSA-N 2 0 269.389 0.379 20 30 CCEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673035 836713302 /nfs/dbraw/zinc/71/33/02/836713302.db2.gz AQJQDRPOFHLDGG-ILXRZTDVSA-N 2 0 295.427 0.862 20 30 CCEDRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC#CCOC ZINC001170211933 837254423 /nfs/dbraw/zinc/25/44/23/837254423.db2.gz RXKXRSNUDDECRJ-UHFFFAOYSA-N 2 0 269.389 0.074 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681439 838172736 /nfs/dbraw/zinc/17/27/36/838172736.db2.gz BPTLJQXLKSCWHK-HOCLYGCPSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185073316 844339118 /nfs/dbraw/zinc/33/91/18/844339118.db2.gz PQVYMBVVGLMVAW-KBPBESRZSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102959 839161659 /nfs/dbraw/zinc/16/16/59/839161659.db2.gz RAKORVJXCSPEFF-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102864 839162070 /nfs/dbraw/zinc/16/20/70/839162070.db2.gz PMILORVGOXYNRL-GJZGRUSLSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001090808317 839827640 /nfs/dbraw/zinc/82/76/40/839827640.db2.gz JARAUKKMELDILS-KGLIPLIRSA-N 2 0 292.383 0.319 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001091031757 839989343 /nfs/dbraw/zinc/98/93/43/839989343.db2.gz ZTGVXUOHOPLJTN-ZALBZXLWSA-N 2 0 277.412 0.999 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001091030373 839994561 /nfs/dbraw/zinc/99/45/61/839994561.db2.gz JLKBDZCSIZNVAD-PESDSKBTSA-N 2 0 275.396 0.446 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001091201263 840131550 /nfs/dbraw/zinc/13/15/50/840131550.db2.gz JICKKQWVTRCXKD-YMAMQOFZSA-N 2 0 293.411 0.213 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227566 840154107 /nfs/dbraw/zinc/15/41/07/840154107.db2.gz PYJZOYPHPSLVPT-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001186487096 844552876 /nfs/dbraw/zinc/55/28/76/844552876.db2.gz FYIIDBSFYNZBNH-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147823220 840692374 /nfs/dbraw/zinc/69/23/74/840692374.db2.gz CADBFNAFCJZCKP-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086873339 840934042 /nfs/dbraw/zinc/93/40/42/840934042.db2.gz CNJGHJXAUXEIOJ-MELADBBJSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001273459195 841113857 /nfs/dbraw/zinc/11/38/57/841113857.db2.gz ZVHXJSNBXJQQDB-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176846123 842447192 /nfs/dbraw/zinc/44/71/92/842447192.db2.gz ZFYVEHXWZPCDFB-GASCZTMLSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC2CC2)CC1 ZINC001176926856 842453058 /nfs/dbraw/zinc/45/30/58/842453058.db2.gz XXKCBTRKBFUJDH-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC000691601541 842938408 /nfs/dbraw/zinc/93/84/08/842938408.db2.gz HUXIKIBYUHKUCK-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472530 843003770 /nfs/dbraw/zinc/00/37/70/843003770.db2.gz NPUOVCKSRQPKRE-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179763900 843048041 /nfs/dbraw/zinc/04/80/41/843048041.db2.gz PNVVXVSFMWBRID-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179763960 843048524 /nfs/dbraw/zinc/04/85/24/843048524.db2.gz RPYXLEDQONAMEK-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179986972 843091591 /nfs/dbraw/zinc/09/15/91/843091591.db2.gz JNCUQUBAJPSYCW-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289490 843999579 /nfs/dbraw/zinc/99/95/79/843999579.db2.gz ZVRRCLUACKNFQO-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841415 844778874 /nfs/dbraw/zinc/77/88/74/844778874.db2.gz ANUNAJXETPPDEH-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653796 845454539 /nfs/dbraw/zinc/45/45/39/845454539.db2.gz GHOFGNPTQFWIOQ-GJZGRUSLSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016983 845773242 /nfs/dbraw/zinc/77/32/42/845773242.db2.gz LDMPLFXGYCHLKV-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155594 846224712 /nfs/dbraw/zinc/22/47/12/846224712.db2.gz VXMRUSFKOJSBOK-GJZGRUSLSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194284537 846265900 /nfs/dbraw/zinc/26/59/00/846265900.db2.gz HZUJNGALDYMICQ-ZDUSSCGKSA-N 2 0 251.374 0.493 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284698 846267105 /nfs/dbraw/zinc/26/71/05/846267105.db2.gz LYFCQXPJOMFNHF-HNNXBMFYSA-N 2 0 295.427 0.509 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294772 846270150 /nfs/dbraw/zinc/27/01/50/846270150.db2.gz MXVLQTHCHWSNIS-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950160 847008346 /nfs/dbraw/zinc/00/83/46/847008346.db2.gz VYPSHSNFJKHBTJ-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201238703 847746399 /nfs/dbraw/zinc/74/63/99/847746399.db2.gz CXMNFJLZSKWQFD-CQSZACIVSA-N 2 0 265.401 0.931 20 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/nfs/dbraw/zinc/39/21/93/849392193.db2.gz FOHOVVFHOXPJFS-IMRBUKKESA-N 2 0 251.374 0.561 20 30 CCEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040529911 850298823 /nfs/dbraw/zinc/29/88/23/850298823.db2.gz SJUOKULVTWFZDY-RDJZCZTQSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827908 852077437 /nfs/dbraw/zinc/07/74/37/852077437.db2.gz MHATWZXVJFHPSH-XUWVNRHRSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001050524161 853391006 /nfs/dbraw/zinc/39/10/06/853391006.db2.gz UQIOQVLPPAIFQP-HUUCEWRRSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072989774 854508907 /nfs/dbraw/zinc/50/89/07/854508907.db2.gz NGBBEVJRAWZQGT-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073128303 854535722 /nfs/dbraw/zinc/53/57/22/854535722.db2.gz YZOLKKSEVGGGGS-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001074877371 854794119 /nfs/dbraw/zinc/79/41/19/854794119.db2.gz AUBAYHSYTGSOFJ-RDBSUJKOSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001074877370 854794526 /nfs/dbraw/zinc/79/45/26/854794526.db2.gz AUBAYHSYTGSOFJ-IHRRRGAJSA-N 2 0 263.385 0.540 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973811 855058030 /nfs/dbraw/zinc/05/80/30/855058030.db2.gz JNEUUCNYRSICIN-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048168 855084511 /nfs/dbraw/zinc/08/45/11/855084511.db2.gz GYBDKSNMKFKQGV-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064702 855090899 /nfs/dbraw/zinc/09/08/99/855090899.db2.gz QCTYMBWFJILXGL-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678731 855208312 /nfs/dbraw/zinc/20/83/12/855208312.db2.gz VKIUBTCVMMTGEY-WLYUNCDWSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001101009550 855253788 /nfs/dbraw/zinc/25/37/88/855253788.db2.gz VKOVVKJHUJYHKD-YMAMQOFZSA-N 2 0 295.427 0.768 20 30 CCEDRP C[C@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC001120489086 857090138 /nfs/dbraw/zinc/09/01/38/857090138.db2.gz OOMCVGSAPSTHHM-ZIAGYGMSSA-N 2 0 283.416 0.988 20 30 CCEDRP COCC#CCN1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001323333457 912276136 /nfs/dbraw/zinc/27/61/36/912276136.db2.gz CRGNARHAVBLCTR-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325307375 913331103 /nfs/dbraw/zinc/33/11/03/913331103.db2.gz DEPQURAVEKVUCC-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001480980597 892011160 /nfs/dbraw/zinc/01/11/60/892011160.db2.gz KGDPORVTBHDQAI-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001283797099 892420130 /nfs/dbraw/zinc/42/01/30/892420130.db2.gz LZHNYWIIUFKNDJ-CABCVRRESA-N 2 0 297.443 0.751 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482136387 893428441 /nfs/dbraw/zinc/42/84/41/893428441.db2.gz LNBBCSWVDNUSOV-ZDUSSCGKSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001482553570 894233858 /nfs/dbraw/zinc/23/38/58/894233858.db2.gz NIECEVAVSIVFRO-UONOGXRCSA-N 2 0 265.401 0.692 20 30 CCEDRP C=CC[NH2+]CCN(CC)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482931478 894704290 /nfs/dbraw/zinc/70/42/90/894704290.db2.gz SDBVLUWKWLWXIJ-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483052591 894851337 /nfs/dbraw/zinc/85/13/37/894851337.db2.gz ALFDSDXYZYQTRA-SREVYHEPSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348254 895485650 /nfs/dbraw/zinc/48/56/50/895485650.db2.gz WBDHZPQFHNCHEK-GFCCVEGCSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001484248646 896284566 /nfs/dbraw/zinc/28/45/66/896284566.db2.gz OOTGUPRKTDNKGY-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444194 896410449 /nfs/dbraw/zinc/41/04/49/896410449.db2.gz QSNOPMDLHKUBOG-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001484490597 896436314 /nfs/dbraw/zinc/43/63/14/896436314.db2.gz BVCRZLVOTDHPBV-GJZGRUSLSA-N 2 0 297.443 0.703 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001484695744 896552263 /nfs/dbraw/zinc/55/22/63/896552263.db2.gz IBBKOFBNEVPRPQ-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485001418 896703888 /nfs/dbraw/zinc/70/38/88/896703888.db2.gz JVFHHXPNLMMBKI-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485303017 896944235 /nfs/dbraw/zinc/94/42/35/896944235.db2.gz OYGKDEDVULPBGJ-JSGCOSHPSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485532480 897113086 /nfs/dbraw/zinc/11/30/86/897113086.db2.gz HJNZZDFZSHIDFT-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP CC[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001116469867 898047836 /nfs/dbraw/zinc/04/78/36/898047836.db2.gz JBEPEQXKTVWPRP-PFONDFGASA-N 2 0 292.383 0.587 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001327059574 914345285 /nfs/dbraw/zinc/34/52/85/914345285.db2.gz JYZYEFAIUVNHAV-GRYCIOLGSA-N 2 0 250.346 0.360 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001327106511 914377165 /nfs/dbraw/zinc/37/71/65/914377165.db2.gz CXPAQIINUYZWHR-AWEZNQCLSA-N 2 0 272.352 0.927 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001488800664 900377801 /nfs/dbraw/zinc/37/78/01/900377801.db2.gz VKOVVKJHUJYHKD-QLFBSQMISA-N 2 0 295.427 0.768 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001297377908 901421093 /nfs/dbraw/zinc/42/10/93/901421093.db2.gz CYGKPAOTCUFZFN-HNNXBMFYSA-N 2 0 297.443 0.921 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283501357 904879357 /nfs/dbraw/zinc/87/93/57/904879357.db2.gz DENXUHTWJZERRV-JKSUJKDBSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283755434 904992985 /nfs/dbraw/zinc/99/29/85/904992985.db2.gz HWTBOSTWPXQTJZ-CYBMUJFWSA-N 2 0 283.416 0.504 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001283897431 905076606 /nfs/dbraw/zinc/07/66/06/905076606.db2.gz DJXZAVONONOFKZ-CHWSQXEVSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001284416795 905280885 /nfs/dbraw/zinc/28/08/85/905280885.db2.gz PZPKYIXEABBLQX-CYBMUJFWSA-N 2 0 269.389 0.066 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001284854554 905445299 /nfs/dbraw/zinc/44/52/99/905445299.db2.gz JDDIIKXXHMXFFP-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001491641279 907476221 /nfs/dbraw/zinc/47/62/21/907476221.db2.gz OKYDAGMZFDQVST-STQMWFEESA-N 2 0 269.389 0.071 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001491812849 907615205 /nfs/dbraw/zinc/61/52/05/907615205.db2.gz UNZNSJWWWGJCGW-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001492406022 907905557 /nfs/dbraw/zinc/90/55/57/907905557.db2.gz WUOFFLBOPYRFGK-CQSZACIVSA-N 2 0 283.416 0.270 20 30 CCEDRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001312802522 908632725 /nfs/dbraw/zinc/63/27/25/908632725.db2.gz LPSUKENVJMDUTI-AWEZNQCLSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317343447 909150918 /nfs/dbraw/zinc/15/09/18/909150918.db2.gz KYJNOFBMHVWGNU-KGLIPLIRSA-N 2 0 265.401 0.644 20 30 CCEDRP C=CC[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317404752 909178809 /nfs/dbraw/zinc/17/88/09/909178809.db2.gz YRLKZCDYGLTHCX-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(C)CN1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001319307851 910087075 /nfs/dbraw/zinc/08/70/75/910087075.db2.gz ILDNWWKDOUFMDA-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319819925 910311236 /nfs/dbraw/zinc/31/12/36/910311236.db2.gz MJOBDUMEIYQZOY-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320216441 910529350 /nfs/dbraw/zinc/52/93/50/910529350.db2.gz KKQYVDIGXSMKNO-ZIAGYGMSSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)C[N@H+](C)C(C)C ZINC001320928092 910938807 /nfs/dbraw/zinc/93/88/07/910938807.db2.gz FYGMRENASLBMAI-UHFFFAOYSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC=C)CC1 ZINC001320927751 910939232 /nfs/dbraw/zinc/93/92/32/910939232.db2.gz CRJMWHOHLAZWPN-UHFFFAOYSA-N 2 0 277.412 0.956 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001322796024 911963694 /nfs/dbraw/zinc/96/36/94/911963694.db2.gz KIWAKACDSRTGIM-HNNXBMFYSA-N 2 0 297.443 0.661 20 30 CCEDRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1C ZINC001328581067 915287689 /nfs/dbraw/zinc/28/76/89/915287689.db2.gz GIDKGLNQOFYDPF-UPJWGTAASA-N 2 0 266.389 0.949 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#CC)CC1 ZINC001329202594 915742571 /nfs/dbraw/zinc/74/25/71/915742571.db2.gz MIZHZCJBYKKRGG-CABCVRRESA-N 2 0 289.423 0.838 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592978 916043609 /nfs/dbraw/zinc/04/36/09/916043609.db2.gz WIYJNWKZBBNNFE-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330085573 916407963 /nfs/dbraw/zinc/40/79/63/916407963.db2.gz MFABGOJLKIBMCW-CYBMUJFWSA-N 2 0 265.401 0.786 20 30 CCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331330832 917270589 /nfs/dbraw/zinc/27/05/89/917270589.db2.gz SQEYIAAKYIOOPI-UEGILFFDSA-N 2 0 264.373 0.368 20 30 CCEDRP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001331844077 917657429 /nfs/dbraw/zinc/65/74/29/917657429.db2.gz ZXBZTKQLNDRDMA-GJZGRUSLSA-N 2 0 297.443 0.894 20 30 CCEDRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001332156179 917914796 /nfs/dbraw/zinc/91/47/96/917914796.db2.gz IPZXZSUNNGBQJZ-NEPJUHHUSA-N 2 0 252.362 0.466 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001332217485 917964328 /nfs/dbraw/zinc/96/43/28/917964328.db2.gz HOQSUSGLRGVYFV-UONOGXRCSA-N 2 0 265.401 0.929 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333292087 918780865 /nfs/dbraw/zinc/78/08/65/918780865.db2.gz LUKGCNHSTKIGQI-DZGCQCFKSA-N 2 0 278.400 1.000 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406261274 919141336 /nfs/dbraw/zinc/14/13/36/919141336.db2.gz VCPOBTJIIJMPLR-NWDGAFQWSA-N 2 0 291.823 0.392 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC001335412007 920181271 /nfs/dbraw/zinc/18/12/71/920181271.db2.gz FSJPIIQEPHTMCX-ZDUSSCGKSA-N 2 0 280.416 0.934 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001340107352 921959466 /nfs/dbraw/zinc/95/94/66/921959466.db2.gz XYRMMHAVXRXGGM-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC001340839664 922232719 /nfs/dbraw/zinc/23/27/19/922232719.db2.gz UVBVCOUPWVYMIX-HNNXBMFYSA-N 2 0 287.363 0.391 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC001340929336 922279204 /nfs/dbraw/zinc/27/92/04/922279204.db2.gz LAOIDWUNKHJDSE-UHFFFAOYSA-N 2 0 251.374 0.577 20 30 CCEDRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001341064911 922333376 /nfs/dbraw/zinc/33/33/76/922333376.db2.gz UVOKUTZALXTYPB-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001341550396 922547489 /nfs/dbraw/zinc/54/74/89/922547489.db2.gz YYPLQSQNKNOBIL-NWDGAFQWSA-N 2 0 252.362 0.656 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001341590709 922570986 /nfs/dbraw/zinc/57/09/86/922570986.db2.gz GTHMGVATRQAKSA-SCVCMEIPSA-N 2 0 257.765 0.796 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC001342318094 922908156 /nfs/dbraw/zinc/90/81/56/922908156.db2.gz HSYWGCLPNDWXFQ-ZDUSSCGKSA-N 2 0 283.416 0.945 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664152 923045165 /nfs/dbraw/zinc/04/51/65/923045165.db2.gz LBHHEKJIIBEUIZ-AXFHLTTASA-N 2 0 257.765 0.524 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001345781190 923978391 /nfs/dbraw/zinc/97/83/91/923978391.db2.gz PUTGNERMBWFKBB-ZIAGYGMSSA-N 2 0 294.399 0.188 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(NC)c1 ZINC001351178099 925377715 /nfs/dbraw/zinc/37/77/15/925377715.db2.gz CNPDWLAYMPBNDK-UHFFFAOYSA-N 2 0 289.383 0.878 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001354658981 926149495 /nfs/dbraw/zinc/14/94/95/926149495.db2.gz HCMCYVLYBQPHRH-ZDUSSCGKSA-N 2 0 272.352 0.342 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)CCC[NH2+]1 ZINC001357813194 926601640 /nfs/dbraw/zinc/60/16/40/926601640.db2.gz YNHIYGNMOLKYMN-OAHLLOKOSA-N 2 0 263.385 0.897 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1C[NH+]2CCN1C[C@H]2C ZINC001448875855 931013939 /nfs/dbraw/zinc/01/39/39/931013939.db2.gz YOEIULVKCBWJMN-CABCVRRESA-N 2 0 294.443 0.341 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449146326 931084375 /nfs/dbraw/zinc/08/43/75/931084375.db2.gz LSVIIVBIHXJSTE-LLVKDONJSA-N 2 0 277.796 0.100 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1C ZINC000601851280 362409945 /nfs/dbraw/zinc/40/99/45/362409945.db2.gz JUGQUQDJTRTBNO-QWHCGFSZSA-N 2 0 266.389 0.806 20 30 CCEDRP [NH2+]=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000066245392 348738409 /nfs/dbraw/zinc/73/84/09/348738409.db2.gz GNPZIVONIKHLOO-OAHLLOKOSA-N 2 0 288.395 0.472 20 30 CCEDRP C[NH+]1CCC(CC(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC000589836288 359404003 /nfs/dbraw/zinc/40/40/03/359404003.db2.gz LNJOHOMDGIIYSD-UHFFFAOYSA-N 2 0 278.400 0.822 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593912381 360209261 /nfs/dbraw/zinc/20/92/61/360209261.db2.gz MKFMNAITEJTKBE-SCRDCRAPSA-N 2 0 264.373 0.595 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000594439892 360308244 /nfs/dbraw/zinc/30/82/44/360308244.db2.gz VTPSAZWUUIMLNU-XUXIUFHCSA-N 2 0 278.400 0.983 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440575 360310273 /nfs/dbraw/zinc/31/02/73/360310273.db2.gz FUGBOTPKDJFLAC-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]2C1 ZINC000594443588 360311682 /nfs/dbraw/zinc/31/16/82/360311682.db2.gz RWSQDSKTKUWHJD-RDBSUJKOSA-N 2 0 278.400 0.950 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000594469668 360320587 /nfs/dbraw/zinc/32/05/87/360320587.db2.gz QJXCWPAWNWZNIP-ZDUSSCGKSA-N 2 0 264.373 0.776 20 30 CCEDRP [NH2+]=C(NCCc1nc2ccccc2[nH]1)N1CCOCC1 ZINC000264075118 389304642 /nfs/dbraw/zinc/30/46/42/389304642.db2.gz GZFLBJPTTZOOKH-UHFFFAOYSA-N 2 0 273.340 0.752 20 30 CCEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267408419 389369915 /nfs/dbraw/zinc/36/99/15/389369915.db2.gz HNRVKLMSSPKNBC-UHFFFAOYSA-N 2 0 276.384 0.677 20 30 CCEDRP NC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267467578 389371063 /nfs/dbraw/zinc/37/10/63/389371063.db2.gz WVIRMEWAJABBMQ-ZDUSSCGKSA-N 2 0 289.383 0.157 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000170911271 389468797 /nfs/dbraw/zinc/46/87/97/389468797.db2.gz IZGHVKBTFWFDAR-UHFFFAOYSA-N 2 0 289.427 0.810 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000334888280 389507949 /nfs/dbraw/zinc/50/79/49/389507949.db2.gz ANMGVESPBBNHMP-KGLIPLIRSA-N 2 0 292.427 0.888 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000430724740 389820309 /nfs/dbraw/zinc/82/03/09/389820309.db2.gz RNSDCXQTLOVIKV-ZDUSSCGKSA-N 2 0 267.373 0.132 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH2+]CCOC)CC1 ZINC000417533235 389827704 /nfs/dbraw/zinc/82/77/04/389827704.db2.gz GCQOAIZBDKVVIG-UHFFFAOYSA-N 2 0 298.431 0.562 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C[NH3+])C(C)C)CC1 ZINC000433128970 389899460 /nfs/dbraw/zinc/89/94/60/389899460.db2.gz YADYBEVUMUBYJH-CYBMUJFWSA-N 2 0 253.390 0.984 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000420303297 389980998 /nfs/dbraw/zinc/98/09/98/389980998.db2.gz CRJHYQVIQBAGMM-QWHCGFSZSA-N 2 0 251.374 0.834 20 30 CCEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491454575 390113733 /nfs/dbraw/zinc/11/37/33/390113733.db2.gz ZUYWPLKCHJXHBL-OWCLPIDISA-N 2 0 297.443 0.001 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567689790 390710451 /nfs/dbraw/zinc/71/04/51/390710451.db2.gz QWSBIEKCDOWSTC-UYTSQGDYSA-N 2 0 294.443 0.798 20 30 CCEDRP C[C@H](CCO)[NH+](C)CC#CC[N@@H+](C)[C@H](C)CCO ZINC000649870867 397677475 /nfs/dbraw/zinc/67/74/75/397677475.db2.gz LQQCJSGBJJLBCE-ZIAGYGMSSA-N 2 0 256.390 0.395 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000662774368 414781648 /nfs/dbraw/zinc/78/16/48/414781648.db2.gz NXFJCMYEOGMFGL-YRGRVCCFSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000662415093 414716257 /nfs/dbraw/zinc/71/62/57/414716257.db2.gz ABFOCWHDSULWMU-YRGRVCCFSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721174 414746184 /nfs/dbraw/zinc/74/61/84/414746184.db2.gz KVBQQUVHXKWRHX-DZGCQCFKSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000490574913 261163862 /nfs/dbraw/zinc/16/38/62/261163862.db2.gz FNBANHGXYXXGIR-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000490593587 261164775 /nfs/dbraw/zinc/16/47/75/261164775.db2.gz DOWOBHZXYIQXRH-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364581671 262254402 /nfs/dbraw/zinc/25/44/02/262254402.db2.gz QVTWWPNXOKFTFR-DZGCQCFKSA-N 2 0 263.385 0.753 20 30 CCEDRP COC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](COC)C2)C1 ZINC000341890572 263364248 /nfs/dbraw/zinc/36/42/48/263364248.db2.gz ALSZREPJQQMIQO-IYBDPMFKSA-N 2 0 280.412 0.926 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363017460 267073104 /nfs/dbraw/zinc/07/31/04/267073104.db2.gz DDRHJTSWHRMOFW-UHFFFAOYSA-N 2 0 295.427 0.723 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000571204386 328092174 /nfs/dbraw/zinc/09/21/74/328092174.db2.gz UZIICFPYGWXGRR-CYBMUJFWSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000420295168 329760027 /nfs/dbraw/zinc/76/00/27/329760027.db2.gz PCNJNKXQLHPOKJ-WCQYABFASA-N 2 0 251.374 0.833 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262429459 330010001 /nfs/dbraw/zinc/01/00/01/330010001.db2.gz DNPPASUZMUEAKK-OLZOCXBDSA-N 2 0 268.405 0.896 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000262473141 330015889 /nfs/dbraw/zinc/01/58/89/330015889.db2.gz PMMPNLASPNOGMY-UONOGXRCSA-N 2 0 297.447 0.048 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCCC1 ZINC000262758012 330029639 /nfs/dbraw/zinc/02/96/39/330029639.db2.gz IQFJSCFUUNCVGB-CYBMUJFWSA-N 2 0 265.405 0.094 20 30 CCEDRP C=CC[NH+]1CCC(NC(NCC2(O)CCC2)=[NH+]C)CC1 ZINC000262797727 330032224 /nfs/dbraw/zinc/03/22/24/330032224.db2.gz PZRJPTOJWIBLIL-UHFFFAOYSA-N 2 0 280.416 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nn(C)cc1Cl ZINC000263184698 330047889 /nfs/dbraw/zinc/04/78/89/330047889.db2.gz URPCVMVWDAISMY-JTQLQIEISA-N 2 0 298.822 0.962 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000424129380 330260104 /nfs/dbraw/zinc/26/01/04/330260104.db2.gz DFINYHCZMWQRIZ-CYBMUJFWSA-N 2 0 266.389 1.000 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138353 330276606 /nfs/dbraw/zinc/27/66/06/330276606.db2.gz UEZOVYOZJNEXOC-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424145717 330291449 /nfs/dbraw/zinc/29/14/49/330291449.db2.gz OIFPDSKLWKBQCQ-NEPJUHHUSA-N 2 0 250.346 0.314 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424153580 330299930 /nfs/dbraw/zinc/29/99/30/330299930.db2.gz KIZQNOWIOJWMTC-CHWSQXEVSA-N 2 0 264.373 0.703 20 30 CCEDRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424156143 330303834 /nfs/dbraw/zinc/30/38/34/330303834.db2.gz NQTNIWQVMRTRGV-NWDGAFQWSA-N 2 0 254.378 0.854 20 30 CCEDRP C[C@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCC[NH2+]C1 ZINC000424161330 330306876 /nfs/dbraw/zinc/30/68/76/330306876.db2.gz YAMBXLDLOGMZKX-YPMHNXCESA-N 2 0 252.362 0.513 20 30 CCEDRP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424170983 330311039 /nfs/dbraw/zinc/31/10/39/330311039.db2.gz LTWBJHWAZXHABI-GFCCVEGCSA-N 2 0 254.378 0.808 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430627800 330569662 /nfs/dbraw/zinc/56/96/62/330569662.db2.gz NREWIICUXUXHGY-SNVBAGLBSA-N 2 0 268.361 0.057 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442633193 330777702 /nfs/dbraw/zinc/77/77/02/330777702.db2.gz CCICDPGAHWSMNY-KGLIPLIRSA-N 2 0 250.390 0.906 20 30 CCEDRP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442788865 330783513 /nfs/dbraw/zinc/78/35/13/330783513.db2.gz JFCAODXAZKDIRX-RDBSUJKOSA-N 2 0 250.390 0.904 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+](CCCC)CCOC)CC1 ZINC000490780322 332115215 /nfs/dbraw/zinc/11/52/15/332115215.db2.gz JZIFKVIJIRZFQR-UHFFFAOYSA-N 2 0 295.427 0.512 20 30 CCEDRP C#CCN(C)CCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000491073415 332147161 /nfs/dbraw/zinc/14/71/61/332147161.db2.gz YWEWOWIPCVYYSO-LBPRGKRZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCN1CCC([NH+](CCOC)CCOC)CC1 ZINC000491128315 332154614 /nfs/dbraw/zinc/15/46/14/332154614.db2.gz ZQJAITIHHZXJKN-UHFFFAOYSA-N 2 0 254.374 0.679 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=S)NC1CC[NH+](C)CC1 ZINC000491267885 332177758 /nfs/dbraw/zinc/17/77/58/332177758.db2.gz WHISRTDIPXZVPO-UHFFFAOYSA-N 2 0 282.457 0.500 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491747948 332325316 /nfs/dbraw/zinc/32/53/16/332325316.db2.gz QUELXFYQFPEYHK-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222940 333528914 /nfs/dbraw/zinc/52/89/14/333528914.db2.gz MKHPAEWLDILESV-UHFFFAOYSA-N 2 0 266.389 0.595 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241513 333529403 /nfs/dbraw/zinc/52/94/03/333529403.db2.gz QNEYAOZTZATOAJ-ZFWWWQNUSA-N 2 0 295.427 0.768 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCC1 ZINC000576753163 335243560 /nfs/dbraw/zinc/24/35/60/335243560.db2.gz PLDCXYWEUWVDPO-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000577055530 335292102 /nfs/dbraw/zinc/29/21/02/335292102.db2.gz RCJFDVAAZAIDDI-GJZGRUSLSA-N 2 0 282.432 0.514 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC#N ZINC000787371865 581469410 /nfs/dbraw/zinc/46/94/10/581469410.db2.gz WDWOXILBWZRUHX-CQSZACIVSA-N 2 0 295.431 0.958 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000750614172 582053134 /nfs/dbraw/zinc/05/31/34/582053134.db2.gz XWHXEOXHQAMDNX-LBPRGKRZSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977602527 613037965 /nfs/dbraw/zinc/03/79/65/613037965.db2.gz RQXGECIDLYQIDE-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000876544848 613389446 /nfs/dbraw/zinc/38/94/46/613389446.db2.gz YWKDGIVEJLPFEO-KXUCPTDWSA-N 2 0 261.753 0.031 20 30 CCEDRP C[C@@H](C#N)OCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000801935744 617297043 /nfs/dbraw/zinc/29/70/43/617297043.db2.gz CUJJDBMHMOFZKZ-AWEZNQCLSA-N 2 0 282.432 0.873 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968645060 612962800 /nfs/dbraw/zinc/96/28/00/612962800.db2.gz LLDZOJJZWREJNE-KGLIPLIRSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969411389 612996716 /nfs/dbraw/zinc/99/67/16/612996716.db2.gz KCXFZLQJOVWTGO-GXTWGEPZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944168208 613025859 /nfs/dbraw/zinc/02/58/59/613025859.db2.gz HPHBHBQYADKWGV-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962292474 613043335 /nfs/dbraw/zinc/04/33/35/613043335.db2.gz IQEZLEMCKPQHDV-TTZDDIAXSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270774 613044961 /nfs/dbraw/zinc/04/49/61/613044961.db2.gz ZKTJPJJRMRXURV-ZIAGYGMSSA-N 2 0 291.395 0.411 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905049261 613072551 /nfs/dbraw/zinc/07/25/51/613072551.db2.gz QJRHFSHOQCMLPP-GFCCVEGCSA-N 2 0 268.430 0.951 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000851661758 613073213 /nfs/dbraw/zinc/07/32/13/613073213.db2.gz NSMDIQPSZVYDEL-UHFFFAOYSA-N 2 0 254.378 0.320 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000895056528 613075184 /nfs/dbraw/zinc/07/51/84/613075184.db2.gz NHUJYILNNURLGZ-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#C[C@H](CC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875593552 613120841 /nfs/dbraw/zinc/12/08/41/613120841.db2.gz FDQZRYROVBZHFY-RBSFLKMASA-N 2 0 294.443 0.779 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942504 613258398 /nfs/dbraw/zinc/25/83/98/613258398.db2.gz AEYVGVNUWSDNEC-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221426 613258744 /nfs/dbraw/zinc/25/87/44/613258744.db2.gz UKTFLKJYKYOLFG-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584014 613282190 /nfs/dbraw/zinc/28/21/90/613282190.db2.gz CBFDUIGBOXBZOS-LSDHHAIUSA-N 2 0 289.423 0.788 20 30 CCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970869369 613302224 /nfs/dbraw/zinc/30/22/24/613302224.db2.gz PLGZUEYFYUUFPQ-STQMWFEESA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959852004 613315542 /nfs/dbraw/zinc/31/55/42/613315542.db2.gz UPVMPTAXGBLPIA-LJISPDSOSA-N 2 0 275.396 0.539 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCCN(C)CC[NH+](C)C ZINC000849028297 613346475 /nfs/dbraw/zinc/34/64/75/613346475.db2.gz PDYPSFFIRSWVDA-UHFFFAOYSA-N 2 0 255.410 0.560 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000900601800 613363950 /nfs/dbraw/zinc/36/39/50/613363950.db2.gz OKBWMLQNTDACBC-HUUCEWRRSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000900708228 613364264 /nfs/dbraw/zinc/36/42/64/613364264.db2.gz CAIOYQWZNQXTJO-ZDUSSCGKSA-N 2 0 253.390 0.904 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885883612 613366599 /nfs/dbraw/zinc/36/65/99/613366599.db2.gz XNVUTQHOAZXZCL-AWEZNQCLSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838150741 613366609 /nfs/dbraw/zinc/36/66/09/613366609.db2.gz XLKALEDJPIBCCA-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000876744067 613390105 /nfs/dbraw/zinc/39/01/05/613390105.db2.gz MYXCVKFZHNJHDH-TUAOUCFPSA-N 2 0 287.791 0.436 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000876750974 613390184 /nfs/dbraw/zinc/39/01/84/613390184.db2.gz KYAHIKYVCQUWJC-RYUDHWBXSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000876739021 613390219 /nfs/dbraw/zinc/39/02/19/613390219.db2.gz BKSHDFQTCDTICF-QWRGUYRKSA-N 2 0 259.781 0.914 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923374805 613585764 /nfs/dbraw/zinc/58/57/64/613585764.db2.gz CNVNPTGZCLPBIO-ZIAGYGMSSA-N 2 0 279.388 0.701 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413784 613590987 /nfs/dbraw/zinc/59/09/87/613590987.db2.gz HCKWFAHNALRJOX-RQJABVFESA-N 2 0 295.383 0.180 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604365 613608940 /nfs/dbraw/zinc/60/89/40/613608940.db2.gz VVSWVXAURXTEJQ-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959849906 613635655 /nfs/dbraw/zinc/63/56/55/613635655.db2.gz NGSMFUOTXIDDJQ-XUWVNRHRSA-N 2 0 289.423 0.929 20 30 CCEDRP C=CCN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000957378329 613654254 /nfs/dbraw/zinc/65/42/54/613654254.db2.gz MKCNLALVIQNGQH-GFCCVEGCSA-N 2 0 251.374 0.657 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969675882 613670068 /nfs/dbraw/zinc/67/00/68/613670068.db2.gz BSGAFQXOGKOILV-WFASDCNBSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959976575 613839242 /nfs/dbraw/zinc/83/92/42/613839242.db2.gz VKKNPASNCAOKRB-POQQGIQPSA-N 2 0 263.385 0.559 20 30 CCEDRP C=CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905004672 613849364 /nfs/dbraw/zinc/84/93/64/613849364.db2.gz QUKPZWIBAHOELF-OKILXGFUSA-N 2 0 278.400 0.783 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970479734 613863885 /nfs/dbraw/zinc/86/38/85/613863885.db2.gz XRQZTBYCEPMKAY-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000968912819 613865287 /nfs/dbraw/zinc/86/52/87/613865287.db2.gz SZFKHEBXLJYGGG-OLZOCXBDSA-N 2 0 251.374 0.703 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843339922 613885942 /nfs/dbraw/zinc/88/59/42/613885942.db2.gz DTDBDLQFCIRTCX-FRRDWIJNSA-N 2 0 272.414 0.565 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884412874 614747427 /nfs/dbraw/zinc/74/74/27/614747427.db2.gz CLNRRHXLCBZSLL-IQXANGCESA-N 2 0 290.411 0.726 20 30 CCEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929771173 614998865 /nfs/dbraw/zinc/99/88/65/614998865.db2.gz LODHXQWMKKTCHV-ZIAGYGMSSA-N 2 0 269.389 0.694 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913524160 615859970 /nfs/dbraw/zinc/85/99/70/615859970.db2.gz BYLKHXNSMFCTDM-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000913522602 615861551 /nfs/dbraw/zinc/86/15/51/615861551.db2.gz QNGRUGDSPVGBMM-UHFFFAOYSA-N 2 0 256.309 0.629 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198334 616195832 /nfs/dbraw/zinc/19/58/32/616195832.db2.gz SJYCVUVELSDZQP-DNCHLWJUSA-N 2 0 276.384 0.336 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044023 625324568 /nfs/dbraw/zinc/32/45/68/625324568.db2.gz JWJDCFKSUUINPA-MEBFFEOJSA-N 2 0 263.385 0.417 20 30 CCEDRP COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000161527629 622860754 /nfs/dbraw/zinc/86/07/54/622860754.db2.gz JLZNSFOHVNBXFP-GFCCVEGCSA-N 2 0 256.394 0.658 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973795 622873643 /nfs/dbraw/zinc/87/36/43/622873643.db2.gz YLPALVOVASWAST-RWMBFGLXSA-N 2 0 251.374 0.751 20 30 CCEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001024376951 623302079 /nfs/dbraw/zinc/30/20/79/623302079.db2.gz FXXZKQVPKNLLMH-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019823197 623917551 /nfs/dbraw/zinc/91/75/51/623917551.db2.gz BPAKKWDRTUGMDL-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120418 624877053 /nfs/dbraw/zinc/87/70/53/624877053.db2.gz MLHZKJVZWIRHCD-BARDWOONSA-N 2 0 293.411 0.663 20 30 CCEDRP C[C@@H]1C[C@@H](CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427917 634744744 /nfs/dbraw/zinc/74/47/44/634744744.db2.gz AMZKNIVRGCLJHU-RQJABVFESA-N 2 0 297.424 0.245 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681742 630851737 /nfs/dbraw/zinc/85/17/37/630851737.db2.gz BWVMCEREJPGFIJ-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc[nH]1 ZINC000261925671 631699493 /nfs/dbraw/zinc/69/94/93/631699493.db2.gz JAMYQCZUENSYHP-AWEZNQCLSA-N 2 0 290.415 0.022 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303989612 632503318 /nfs/dbraw/zinc/50/33/18/632503318.db2.gz XRQILHFYPWGSBV-GFCCVEGCSA-N 2 0 255.410 0.327 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000985653299 632610309 /nfs/dbraw/zinc/61/03/09/632610309.db2.gz KZICBUNMVWEXPR-ZFWWWQNUSA-N 2 0 277.412 0.740 20 30 CCEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009507356 650145946 /nfs/dbraw/zinc/14/59/46/650145946.db2.gz GYXBRKPUFNOEQJ-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCCCCC1 ZINC000913518947 636835152 /nfs/dbraw/zinc/83/51/52/636835152.db2.gz HRJYVJSRDJYZCJ-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301201 638815037 /nfs/dbraw/zinc/81/50/37/638815037.db2.gz RVSQZZDBJPCCTR-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000920358 639194834 /nfs/dbraw/zinc/19/48/34/639194834.db2.gz UKBWQIGNZGLBOW-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001151002 639248247 /nfs/dbraw/zinc/24/82/47/639248247.db2.gz JSEYZIHZWJKSBR-GOEBONIOSA-N 2 0 289.423 0.956 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002828970 639466476 /nfs/dbraw/zinc/46/64/76/639466476.db2.gz NTMIYKDZFOSEEO-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000843462625 643066314 /nfs/dbraw/zinc/06/63/14/643066314.db2.gz ROAGTPLAFNQLPV-HIFRSBDPSA-N 2 0 298.390 0.536 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852828423 644013601 /nfs/dbraw/zinc/01/36/01/644013601.db2.gz XRDJTTDKUZUMJB-VHSXEESVSA-N 2 0 276.365 0.235 20 30 CCEDRP C[C@@H](CC[NH+](C)C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862395 644029707 /nfs/dbraw/zinc/02/97/07/644029707.db2.gz CLQVGMREMLFUAB-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000852873738 644035251 /nfs/dbraw/zinc/03/52/51/644035251.db2.gz BOMOBFIVAZNZLL-UHFFFAOYSA-N 2 0 284.363 0.669 20 30 CCEDRP [NH3+]CCC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852896562 644048587 /nfs/dbraw/zinc/04/85/87/644048587.db2.gz DUDLSLNWWNZKJX-UHFFFAOYSA-N 2 0 263.385 0.577 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001019000599 650928639 /nfs/dbraw/zinc/92/86/39/650928639.db2.gz DSADOWJPTRNHQK-STQMWFEESA-N 2 0 253.390 0.949 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001020170185 651045880 /nfs/dbraw/zinc/04/58/80/651045880.db2.gz QOIMEXYHKDGLFY-FDYHWXHSSA-N 2 0 251.374 0.749 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@@]3([NH3+])C1)C2 ZINC000884426941 647734337 /nfs/dbraw/zinc/73/43/37/647734337.db2.gz ZFMBXSFIFRZYCI-BCLYGOSUSA-N 2 0 288.395 0.466 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000303466695 649821305 /nfs/dbraw/zinc/82/13/05/649821305.db2.gz FKWNQNPDVMDVGT-VXGBXAGGSA-N 2 0 268.405 0.813 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCOCC1 ZINC000303788022 649824878 /nfs/dbraw/zinc/82/48/78/649824878.db2.gz TUZSMBOGKQOJEX-ZDUSSCGKSA-N 2 0 268.405 0.898 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303791772 649825187 /nfs/dbraw/zinc/82/51/87/649825187.db2.gz XVPGYXAMLPUORR-UPJWGTAASA-N 2 0 286.420 0.425 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303897944 649826567 /nfs/dbraw/zinc/82/65/67/649826567.db2.gz QWKCUKHDLQGOSF-OLZOCXBDSA-N 2 0 268.405 0.754 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303973418 649827424 /nfs/dbraw/zinc/82/74/24/649827424.db2.gz GUVYRERDHGOZBX-UHFFFAOYSA-N 2 0 269.437 0.717 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000303977109 649827543 /nfs/dbraw/zinc/82/75/43/649827543.db2.gz KYKIJNZYWCPMAJ-UHFFFAOYSA-N 2 0 297.447 0.097 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305048274 649840803 /nfs/dbraw/zinc/84/08/03/649840803.db2.gz ZCNYNMBCNLVOIM-QWHCGFSZSA-N 2 0 270.421 0.904 20 30 CCEDRP C#CC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266284583 790403447 /nfs/dbraw/zinc/40/34/47/790403447.db2.gz HIBHKVHOCUSCKO-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322660 790504809 /nfs/dbraw/zinc/50/48/09/790504809.db2.gz LGHKGCXCZHDLNA-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001266412460 790656418 /nfs/dbraw/zinc/65/64/18/790656418.db2.gz UCLGQXQSJPNDPD-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266429153 790688694 /nfs/dbraw/zinc/68/86/94/790688694.db2.gz ZIJJYFIKPCXHBE-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266548584 790910338 /nfs/dbraw/zinc/91/03/38/790910338.db2.gz CREWZCJCPJUAOI-HUUCEWRRSA-N 2 0 295.427 0.579 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1[nH]ccc1C#N ZINC001233045926 806013177 /nfs/dbraw/zinc/01/31/77/806013177.db2.gz YZQBUYKDPJCODF-UHFFFAOYSA-N 2 0 263.389 0.812 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894683 791324072 /nfs/dbraw/zinc/32/40/72/791324072.db2.gz JHSJNXLHRPKBAW-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267009511 791439869 /nfs/dbraw/zinc/43/98/69/791439869.db2.gz HTRNPWPREZDGRY-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354183 806412221 /nfs/dbraw/zinc/41/22/21/806412221.db2.gz KPVLAZPSDVDRCA-CABCVRRESA-N 2 0 277.412 0.883 20 30 CCEDRP C=CCCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310295 806565919 /nfs/dbraw/zinc/56/59/19/806565919.db2.gz WMKLTBSJBHOVIR-UHFFFAOYSA-N 2 0 284.448 0.849 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121246666 799020524 /nfs/dbraw/zinc/02/05/24/799020524.db2.gz QTWWVXQOOOGCKA-UKEPKTAJSA-N 2 0 289.423 0.977 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCOCC1 ZINC001122171056 799160516 /nfs/dbraw/zinc/16/05/16/799160516.db2.gz AGOPHGYXLYYYMB-LLVKDONJSA-N 2 0 255.362 0.294 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001278165611 806736086 /nfs/dbraw/zinc/73/60/86/806736086.db2.gz XQTCCZBRPJGMCY-CABCVRRESA-N 2 0 295.427 0.341 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145355 800495870 /nfs/dbraw/zinc/49/58/70/800495870.db2.gz BBPKECXZHASEQE-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](CC)OC)CC1 ZINC001152329776 800511210 /nfs/dbraw/zinc/51/12/10/800511210.db2.gz BAHBBQDTVXYXNX-HNNXBMFYSA-N 2 0 295.427 0.462 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487414 801658986 /nfs/dbraw/zinc/65/89/86/801658986.db2.gz ZFWOWLLROAHDJX-KBPBESRZSA-N 2 0 281.400 0.522 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487417 801659004 /nfs/dbraw/zinc/65/90/04/801659004.db2.gz ZFWOWLLROAHDJX-ZIAGYGMSSA-N 2 0 281.400 0.522 20 30 CCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001159335214 801794109 /nfs/dbraw/zinc/79/41/09/801794109.db2.gz VPBAYUVAQLMOOM-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP N#Cc1ccc([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159783148 801870631 /nfs/dbraw/zinc/87/06/31/801870631.db2.gz BVJXJLBNIBBBED-VIFPVBQESA-N 2 0 250.262 0.297 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C#N ZINC001160636609 801985043 /nfs/dbraw/zinc/98/50/43/801985043.db2.gz IQYBBKYYHHSCQE-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778976 802019639 /nfs/dbraw/zinc/01/96/39/802019639.db2.gz DTBRBCZCJKDCKH-PVAVHDDUSA-N 2 0 283.375 0.337 20 30 CCEDRP C#CC[C@]1(C(=O)N(C(C)C)[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC001161353369 802136303 /nfs/dbraw/zinc/13/63/03/802136303.db2.gz OVWLUURPIVAXTA-DZGCQCFKSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CC[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698793 802200920 /nfs/dbraw/zinc/20/09/20/802200920.db2.gz FEOBMCVWJXBRNK-UHFFFAOYSA-N 2 0 293.411 0.336 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164555794 802764585 /nfs/dbraw/zinc/76/45/85/802764585.db2.gz NYPPXISYDBOAQL-OAHLLOKOSA-N 2 0 289.423 0.838 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010198 802880280 /nfs/dbraw/zinc/88/02/80/802880280.db2.gz KHUGPQPQNUMZTM-CYBMUJFWSA-N 2 0 253.390 0.692 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357697 803026007 /nfs/dbraw/zinc/02/60/07/803026007.db2.gz HBAUHARNUYRJCV-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616042 803037900 /nfs/dbraw/zinc/03/79/00/803037900.db2.gz TXCZCDCOZHFTQV-UONOGXRCSA-N 2 0 293.411 0.215 20 30 CCEDRP Cn1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1C#N ZINC001205219500 803126857 /nfs/dbraw/zinc/12/68/57/803126857.db2.gz FJGPRAVNMKHPBB-AWEZNQCLSA-N 2 0 262.357 0.572 20 30 CCEDRP CN1CC[NH+](CCCO[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001206589324 803272330 /nfs/dbraw/zinc/27/23/30/803272330.db2.gz DWKKIYKDULKULU-OAHLLOKOSA-N 2 0 283.440 0.629 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001206684194 803278920 /nfs/dbraw/zinc/27/89/20/803278920.db2.gz WPGGNUMDNNBBSX-UHFFFAOYSA-N 2 0 274.368 0.804 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206929227 803310447 /nfs/dbraw/zinc/31/04/47/803310447.db2.gz ZVPJUQLQJLVMOA-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928719 803311259 /nfs/dbraw/zinc/31/12/59/803311259.db2.gz GQNBUXPUCBGKEU-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447874 803514082 /nfs/dbraw/zinc/51/40/82/803514082.db2.gz QERGKBYUVDDBMB-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494302 803518792 /nfs/dbraw/zinc/51/87/92/803518792.db2.gz OUGVVNAYDAVYFZ-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211276608 803675909 /nfs/dbraw/zinc/67/59/09/803675909.db2.gz IFBZZFQEZPSMTH-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213347870 803691485 /nfs/dbraw/zinc/69/14/85/803691485.db2.gz BRLIHOXUYHVFLC-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750060 803852580 /nfs/dbraw/zinc/85/25/80/803852580.db2.gz NMVJNEJIANTTBK-RBSFLKMASA-N 2 0 295.427 0.577 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750059 803853393 /nfs/dbraw/zinc/85/33/93/803853393.db2.gz NMVJNEJIANTTBK-QLFBSQMISA-N 2 0 295.427 0.577 20 30 CCEDRP C=C1CC[NH2+]C[C@@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833432 803916995 /nfs/dbraw/zinc/91/69/95/803916995.db2.gz WFWKPLHOHQTMDZ-RFGFWPKPSA-N 2 0 252.358 0.688 20 30 CCEDRP N#Cc1ccnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218503262 803969471 /nfs/dbraw/zinc/96/94/71/803969471.db2.gz DXMYMHPBYGQKSL-LBPRGKRZSA-N 2 0 259.313 0.219 20 30 CCEDRP Cc1coc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1C#N ZINC001218763591 804114277 /nfs/dbraw/zinc/11/42/77/804114277.db2.gz ARDWBXLPDRUOLW-JTQLQIEISA-N 2 0 250.302 0.855 20 30 CCEDRP N#Cc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc1O ZINC001218954390 804165441 /nfs/dbraw/zinc/16/54/41/804165441.db2.gz LQWWJYJNUJBPHJ-JTQLQIEISA-N 2 0 280.353 0.222 20 30 CCEDRP N#C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccccc1 ZINC001219557805 804348794 /nfs/dbraw/zinc/34/87/94/804348794.db2.gz DXTJFOGASDPTDQ-NWDGAFQWSA-N 2 0 278.381 0.387 20 30 CCEDRP C=C(C)C(=O)NCCCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220043069 804480890 /nfs/dbraw/zinc/48/08/90/804480890.db2.gz DGYLJYBBPUEBRH-LBPRGKRZSA-N 2 0 284.404 0.031 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223465243 804972602 /nfs/dbraw/zinc/97/26/02/804972602.db2.gz GEXURHLPEYKNHE-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225167869 805111660 /nfs/dbraw/zinc/11/16/60/805111660.db2.gz DNQQFYJNINWANI-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277299314 805445211 /nfs/dbraw/zinc/44/52/11/805445211.db2.gz PWGCAVDHQGTOMV-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001229487496 805538020 /nfs/dbraw/zinc/53/80/20/805538020.db2.gz BBBVSOSFTSZPNN-ZDUSSCGKSA-N 2 0 268.405 0.579 20 30 CCEDRP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278399188 807067496 /nfs/dbraw/zinc/06/74/96/807067496.db2.gz VEWYHKIIWQLMSB-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cncc2C)C1 ZINC001278411331 807088056 /nfs/dbraw/zinc/08/80/56/807088056.db2.gz UAVPYGIYAAJSHH-OAHLLOKOSA-N 2 0 274.368 0.795 20 30 CCEDRP [NH2+]=C(N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccc(F)cn1 ZINC001246219914 807191751 /nfs/dbraw/zinc/19/17/51/807191751.db2.gz ANORFXWLDGOKGA-JTQLQIEISA-N 2 0 263.320 0.020 20 30 CCEDRP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC[NH2+]1 ZINC001246313930 807219911 /nfs/dbraw/zinc/21/99/11/807219911.db2.gz FQUPMLWBRZDDNL-BXKDBHETSA-N 2 0 260.341 0.631 20 30 CCEDRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC#CC[NH+](C)C ZINC001251708652 807696605 /nfs/dbraw/zinc/69/66/05/807696605.db2.gz VXPJVRAQCIFNCX-CQSZACIVSA-N 2 0 280.416 0.535 20 30 CCEDRP C=C[C@](C)(O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252552013 807907852 /nfs/dbraw/zinc/90/78/52/807907852.db2.gz FWPXTBLRAWUHCF-OAGGEKHMSA-N 2 0 298.427 0.593 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252603335 807918712 /nfs/dbraw/zinc/91/87/12/807918712.db2.gz SXSNXRIDDFUIBZ-CQSZACIVSA-N 2 0 283.416 0.409 20 30 CCEDRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])c1ccc(C#N)cc1 ZINC001253205473 808029856 /nfs/dbraw/zinc/02/98/56/808029856.db2.gz DBWSIZBPHSGANI-AWEZNQCLSA-N 2 0 274.368 0.966 20 30 CCEDRP N#CCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254162858 808192651 /nfs/dbraw/zinc/19/26/51/808192651.db2.gz IDWGDYQYKSWWPQ-UHFFFAOYSA-N 2 0 264.377 0.843 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001278827616 808298766 /nfs/dbraw/zinc/29/87/66/808298766.db2.gz OVCVQHIJUFXMRS-HOCLYGCPSA-N 2 0 295.427 0.457 20 30 CCEDRP C#CC[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001278918090 808476341 /nfs/dbraw/zinc/47/63/41/808476341.db2.gz MJZVHDKTZAKBEQ-UHFFFAOYSA-N 2 0 253.390 0.740 20 30 CCEDRP C#CCN(C(=O)NCC#CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC001256585884 808537186 /nfs/dbraw/zinc/53/71/86/808537186.db2.gz XGRUHBJBPHOQDV-UHFFFAOYSA-N 2 0 290.411 0.290 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC001263107131 809448880 /nfs/dbraw/zinc/44/88/80/809448880.db2.gz OMYYYXWUVPTJSK-UONOGXRCSA-N 2 0 257.337 0.163 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[C@@H]1CSCC[NH2+]1 ZINC001263134102 809456369 /nfs/dbraw/zinc/45/63/69/809456369.db2.gz LPLNKQBXMDZIKH-CYBMUJFWSA-N 2 0 281.425 0.201 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001264422944 809655791 /nfs/dbraw/zinc/65/57/91/809655791.db2.gz FJZIUMCEEVBYHS-JOCQHMNTSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001264693092 809671623 /nfs/dbraw/zinc/67/16/23/809671623.db2.gz CXRYTWNUXZNFLY-ILXRZTDVSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265311876 809755057 /nfs/dbraw/zinc/75/50/57/809755057.db2.gz CCTDZUQZLNZDJZ-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266120435 809938904 /nfs/dbraw/zinc/93/89/04/809938904.db2.gz ZCGKAEBWQVMHER-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001266182942 809957069 /nfs/dbraw/zinc/95/70/69/809957069.db2.gz SCUXJRZKIOPQME-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001266190085 809958667 /nfs/dbraw/zinc/95/86/67/809958667.db2.gz YISOFUMQUZUDMA-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267604380 811532962 /nfs/dbraw/zinc/53/29/62/811532962.db2.gz OOMNSBUNUJGRNC-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203208167 811556322 /nfs/dbraw/zinc/55/63/22/811556322.db2.gz DOQKQENCAKCLRV-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001267858214 811838825 /nfs/dbraw/zinc/83/88/25/811838825.db2.gz ONBVPJDCAGHIPQ-CQSZACIVSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864327 811843938 /nfs/dbraw/zinc/84/39/38/811843938.db2.gz BJSCJULGZVXZCF-CJNGLKHVSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886852 812119038 /nfs/dbraw/zinc/11/90/38/812119038.db2.gz YTGCHCOFZATHOH-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028094287 812272523 /nfs/dbraw/zinc/27/25/23/812272523.db2.gz WRKFACYWJUYNPD-HUUCEWRRSA-N 2 0 295.427 0.862 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116124 812289228 /nfs/dbraw/zinc/28/92/28/812289228.db2.gz CLPJXBILFNZBPG-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624302 812988628 /nfs/dbraw/zinc/98/86/28/812988628.db2.gz VZACFKDWQTUQTN-HNNXBMFYSA-N 2 0 289.423 0.934 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268699688 813018938 /nfs/dbraw/zinc/01/89/38/813018938.db2.gz RXSNYNFNBDAOEL-KBPBESRZSA-N 2 0 283.416 0.768 20 30 CCEDRP C=CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268709892 813026125 /nfs/dbraw/zinc/02/61/25/813026125.db2.gz VYERDWRGXDZICP-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028641119 813097088 /nfs/dbraw/zinc/09/70/88/813097088.db2.gz BSRYIYROGTXKHM-KBPBESRZSA-N 2 0 286.379 0.517 20 30 CCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268906732 813140131 /nfs/dbraw/zinc/14/01/31/813140131.db2.gz VJFDQSQWVULCQJ-CQSZACIVSA-N 2 0 281.400 0.189 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C1CC1 ZINC001269080049 813207118 /nfs/dbraw/zinc/20/71/18/813207118.db2.gz XETNBDPXHWODMH-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001269425383 813366709 /nfs/dbraw/zinc/36/67/09/813366709.db2.gz QEMNDDAZHVRDSH-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001269510643 813397990 /nfs/dbraw/zinc/39/79/90/813397990.db2.gz RXJQSWHUTBNQSD-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001269540868 813408613 /nfs/dbraw/zinc/40/86/13/813408613.db2.gz PKSDDIQDWXBUPB-CHWSQXEVSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001270018118 813584112 /nfs/dbraw/zinc/58/41/12/813584112.db2.gz QYCRROXRSGFTOA-HDJSIYSDSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931911 813671105 /nfs/dbraw/zinc/67/11/05/813671105.db2.gz ZIQXTJYILQPVCX-CQSZACIVSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC#CC)CC1 ZINC001270338295 813723263 /nfs/dbraw/zinc/72/32/63/813723263.db2.gz AKVSYJAGDVHYQJ-UHFFFAOYSA-N 2 0 289.423 0.888 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001029001674 813744945 /nfs/dbraw/zinc/74/49/45/813744945.db2.gz CBDBNTQSWOYYBN-OAHLLOKOSA-N 2 0 289.423 0.956 20 30 CCEDRP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270614511 813839163 /nfs/dbraw/zinc/83/91/63/813839163.db2.gz GRWMZKKYSQMTDK-ZBFHGGJFSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271751211 814566008 /nfs/dbraw/zinc/56/60/08/814566008.db2.gz MJZIRGTXPJVWRE-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001046567805 816636831 /nfs/dbraw/zinc/63/68/31/816636831.db2.gz LEAXNSFPOSIRTI-HOCLYGCPSA-N 2 0 295.427 0.862 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475099 817147650 /nfs/dbraw/zinc/14/76/50/817147650.db2.gz QJYINJPERWZKHW-CYBMUJFWSA-N 2 0 251.374 0.610 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812901 817388119 /nfs/dbraw/zinc/38/81/19/817388119.db2.gz KWMRBAJTJCLDJX-UHFFFAOYSA-N 2 0 263.385 0.849 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047626897 817807813 /nfs/dbraw/zinc/80/78/13/817807813.db2.gz IHLNKRWYNRBFRW-RDBSUJKOSA-N 2 0 281.400 0.018 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786365 817869350 /nfs/dbraw/zinc/86/93/50/817869350.db2.gz YXCSXGMJKRWSOQ-KBPBESRZSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034395638 819193968 /nfs/dbraw/zinc/19/39/68/819193968.db2.gz AKGMAXUOUCJITB-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035851555 819632184 /nfs/dbraw/zinc/63/21/84/819632184.db2.gz QOVFTRSVHDQHQQ-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035852242 819632585 /nfs/dbraw/zinc/63/25/85/819632585.db2.gz RWPURKWMXMZJOK-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCN1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144422 819895158 /nfs/dbraw/zinc/89/51/58/819895158.db2.gz PUVLHYTTYJVXGV-DOTOQJQBSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080449467 820573837 /nfs/dbraw/zinc/57/38/37/820573837.db2.gz MGJIPZFKIFXNJP-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082741193 821029230 /nfs/dbraw/zinc/02/92/30/821029230.db2.gz SFAYARBDCCHOQR-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093099 821492989 /nfs/dbraw/zinc/49/29/89/821492989.db2.gz GLKONVPOONVQIY-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086270567 822181905 /nfs/dbraw/zinc/18/19/05/822181905.db2.gz KFESHPYURVMYCL-MCIONIFRSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086478779 822274485 /nfs/dbraw/zinc/27/44/85/822274485.db2.gz ZMGQXNLJQYDZTP-XDQVBPFNSA-N 2 0 263.385 0.302 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129421650 837504388 /nfs/dbraw/zinc/50/43/88/837504388.db2.gz BANGMVNBHBFHIY-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530880 836332395 /nfs/dbraw/zinc/33/23/95/836332395.db2.gz ICBISSHKAZMDQI-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672850 836713441 /nfs/dbraw/zinc/71/34/41/836713441.db2.gz WGACFMCWVZMQEE-RDBSUJKOSA-N 2 0 263.385 0.683 20 30 CCEDRP N#Cc1c2c(cnc1-n1ccnc1C(N)=[NH2+])C[NH2+]CCC2 ZINC001157621484 837180331 /nfs/dbraw/zinc/18/03/31/837180331.db2.gz OYLDTGMCJYDWBE-UHFFFAOYSA-N 2 0 281.323 0.459 20 30 CCEDRP C=CCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273487193 844253836 /nfs/dbraw/zinc/25/38/36/844253836.db2.gz FHXYJHWLDRNDPK-UHFFFAOYSA-N 2 0 281.400 0.427 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658595 837883883 /nfs/dbraw/zinc/88/38/83/837883883.db2.gz GGNQJRBUYRDNOL-UHFFFAOYSA-N 2 0 270.336 0.985 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658670 837884011 /nfs/dbraw/zinc/88/40/11/837884011.db2.gz JOUZIUHOTAVNQE-UHFFFAOYSA-N 2 0 270.336 0.985 20 30 CCEDRP C=CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132424314 838389651 /nfs/dbraw/zinc/38/96/51/838389651.db2.gz FBHFWEYAOPNXFG-KGLIPLIRSA-N 2 0 283.416 0.720 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040182 838538338 /nfs/dbraw/zinc/53/83/38/838538338.db2.gz FCPCFFFIEHRJCK-UHFFFAOYSA-N 2 0 292.221 0.943 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285995 838588148 /nfs/dbraw/zinc/58/81/48/838588148.db2.gz RNJRENWMZPLUJN-UHFFFAOYSA-N 2 0 259.781 0.787 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133850610 838738726 /nfs/dbraw/zinc/73/87/26/838738726.db2.gz OFNQALQWKHCFMN-CQSZACIVSA-N 2 0 269.364 0.538 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133862604 838753734 /nfs/dbraw/zinc/75/37/34/838753734.db2.gz DPFKCMTWYSLTGK-CHWSQXEVSA-N 2 0 253.390 0.856 20 30 CCEDRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]CC#CCOC ZINC001135437459 839250871 /nfs/dbraw/zinc/25/08/71/839250871.db2.gz UQGWRTORPFNCEL-UHFFFAOYSA-N 2 0 297.443 0.854 20 30 CCEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923208 839472768 /nfs/dbraw/zinc/47/27/68/839472768.db2.gz IXBNQYIWLSDQLB-STQMWFEESA-N 2 0 271.405 0.624 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650094 844441898 /nfs/dbraw/zinc/44/18/98/844441898.db2.gz CJIHCMNLFCKZJZ-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683316 844444929 /nfs/dbraw/zinc/44/49/29/844444929.db2.gz WURSLLXRBYRDQB-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP N#Cc1ccnc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170899204 839544475 /nfs/dbraw/zinc/54/44/75/839544475.db2.gz YJGHDUWDKXERDX-QMMMGPOBSA-N 2 0 250.262 0.297 20 30 CCEDRP CCOC(=O)c1cnc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)c1 ZINC001170900384 839549118 /nfs/dbraw/zinc/54/91/18/839549118.db2.gz TUFYHIGMNHYAIV-LLVKDONJSA-N 2 0 277.328 0.566 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185743851 844456557 /nfs/dbraw/zinc/45/65/57/844456557.db2.gz YFHCUGWVSSJLSZ-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)[C@H](O)C1 ZINC001090808318 839826907 /nfs/dbraw/zinc/82/69/07/839826907.db2.gz JARAUKKMELDILS-UONOGXRCSA-N 2 0 292.383 0.319 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC001144302868 839999838 /nfs/dbraw/zinc/99/98/38/839999838.db2.gz REIHJHDDVRXAIG-UHFFFAOYSA-N 2 0 253.390 0.904 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147825068 840691973 /nfs/dbraw/zinc/69/19/73/840691973.db2.gz NVNXIOYJNXUSLU-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977698 840726176 /nfs/dbraw/zinc/72/61/76/840726176.db2.gz WGZZTYQBZHENNQ-UHFFFAOYSA-N 2 0 251.374 0.754 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148057282 840734783 /nfs/dbraw/zinc/73/47/83/840734783.db2.gz GGTOCRZQDZTQDK-UHFFFAOYSA-N 2 0 260.341 0.490 20 30 CCEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086873759 840934177 /nfs/dbraw/zinc/93/41/77/840934177.db2.gz YNDBVKGMZWUTAZ-BFHYXJOUSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091984807 840980738 /nfs/dbraw/zinc/98/07/38/840980738.db2.gz DMRFQLIIXVFLQV-INMHGKMJSA-N 2 0 291.439 0.986 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521720 841032266 /nfs/dbraw/zinc/03/22/66/841032266.db2.gz CDHFHGIBEXNDEE-KFWWJZLASA-N 2 0 295.427 0.577 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036811352 841244041 /nfs/dbraw/zinc/24/40/41/841244041.db2.gz PJEPADWMDBORKW-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072177 842308054 /nfs/dbraw/zinc/30/80/54/842308054.db2.gz MOWFLOKQJJDHAY-NSHDSACASA-N 2 0 259.781 0.787 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001176465400 842370113 /nfs/dbraw/zinc/37/01/13/842370113.db2.gz DQCLMXVDKKGHEZ-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925275 843082007 /nfs/dbraw/zinc/08/20/07/843082007.db2.gz OAGMNGKATQUEAO-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400933 845131290 /nfs/dbraw/zinc/13/12/90/845131290.db2.gz QONNSNJGQRZZCM-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500039 846086403 /nfs/dbraw/zinc/08/64/03/846086403.db2.gz OOLAWPFIFBOSPG-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039217 846201463 /nfs/dbraw/zinc/20/14/63/846201463.db2.gz LSZZPPMAOCAHBH-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002294 846202330 /nfs/dbraw/zinc/20/23/30/846202330.db2.gz QSXPFAIFBRUMCC-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194038363 846202721 /nfs/dbraw/zinc/20/27/21/846202721.db2.gz KGALJEMXLNJTBE-OAHLLOKOSA-N 2 0 293.411 0.265 20 30 CCEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194460198 846295076 /nfs/dbraw/zinc/29/50/76/846295076.db2.gz MZVVZSKPEDSMHH-CYBMUJFWSA-N 2 0 262.357 0.992 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273709953 846656628 /nfs/dbraw/zinc/65/66/28/846656628.db2.gz DFMAFNYORTWCEW-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493642 846927316 /nfs/dbraw/zinc/92/73/16/846927316.db2.gz VVFNFGJNIQARIR-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201259606 847755242 /nfs/dbraw/zinc/75/52/42/847755242.db2.gz CAKWOJSDXURMMF-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343869 847772303 /nfs/dbraw/zinc/77/23/03/847772303.db2.gz NGAJLZADCQQXPC-HUUCEWRRSA-N 2 0 295.427 0.413 20 30 CCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001273893232 847777058 /nfs/dbraw/zinc/77/70/58/847777058.db2.gz FEQBQVYFAIMROX-GDBMZVCRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001273910404 847819609 /nfs/dbraw/zinc/81/96/09/847819609.db2.gz HSFWCLLMYJUWHK-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C[C@](C)(O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252584957 848022565 /nfs/dbraw/zinc/02/25/65/848022565.db2.gz INNROYQSIBOWRF-AWEZNQCLSA-N 2 0 254.374 0.624 20 30 CCEDRP C=CCC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001274578782 848512188 /nfs/dbraw/zinc/51/21/88/848512188.db2.gz NSCICSGYSUWFBF-PLNGDYQASA-N 2 0 251.374 0.920 20 30 CCEDRP C=CCC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001274578783 848512530 /nfs/dbraw/zinc/51/25/30/848512530.db2.gz NSCICSGYSUWFBF-SNAWJCMRSA-N 2 0 251.374 0.920 20 30 CCEDRP C#CCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001275978146 848881002 /nfs/dbraw/zinc/88/10/02/848881002.db2.gz KIRQJMUYPRVICA-CABCVRRESA-N 2 0 265.401 0.346 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]([NH3+])CCCC#N ZINC000720886973 849559448 /nfs/dbraw/zinc/55/94/48/849559448.db2.gz HTXNFQXPRRYZII-JHJVBQTASA-N 2 0 264.373 0.703 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828867 850506136 /nfs/dbraw/zinc/50/61/36/850506136.db2.gz JKSKANJXVVXEDH-ZBFHGGJFSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042356923 850619821 /nfs/dbraw/zinc/61/98/21/850619821.db2.gz JLVYKNPFCPATEW-HUUCEWRRSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001044858473 851170389 /nfs/dbraw/zinc/17/03/89/851170389.db2.gz SHNYPUVHLHALBP-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046833254 851625023 /nfs/dbraw/zinc/62/50/23/851625023.db2.gz DXNMQWPHXQZFJV-OCCSQVGLSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048723338 852031933 /nfs/dbraw/zinc/03/19/33/852031933.db2.gz CBJMWDITTJJNSZ-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676678 852638723 /nfs/dbraw/zinc/63/87/23/852638723.db2.gz JCVIYCVPLOXAFT-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052932265 852670772 /nfs/dbraw/zinc/67/07/72/852670772.db2.gz KPXXLLZZHVQGQL-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001074811981 854787816 /nfs/dbraw/zinc/78/78/16/854787816.db2.gz QFRIDKXUXFRVLF-IHRRRGAJSA-N 2 0 263.385 0.683 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100079963 855093457 /nfs/dbraw/zinc/09/34/57/855093457.db2.gz BFBFZUZHUUIZPZ-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083342 855097616 /nfs/dbraw/zinc/09/76/16/855097616.db2.gz QKSSXFLEBUATNL-QWHCGFSZSA-N 2 0 269.389 0.066 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100445992 855169506 /nfs/dbraw/zinc/16/95/06/855169506.db2.gz JMSLOEMXBYKWPV-NRXISQOPSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418519 855288442 /nfs/dbraw/zinc/28/84/42/855288442.db2.gz WAORFTYAJRYDAZ-ZBFHGGJFSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647183 855524816 /nfs/dbraw/zinc/52/48/16/855524816.db2.gz YHXNBOLWBDDFQG-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241176 855653576 /nfs/dbraw/zinc/65/35/76/855653576.db2.gz DAOVPBZPIZQEMB-KBXIAJHMSA-N 2 0 293.411 0.187 20 30 CCEDRP C[NH+]1CCC(C#N)(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001116016819 855711057 /nfs/dbraw/zinc/71/10/57/855711057.db2.gz FMGZWLLZVQUKBC-UHFFFAOYSA-N 2 0 252.362 0.479 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC001120472419 857080948 /nfs/dbraw/zinc/08/09/48/857080948.db2.gz MMRXMQPUIGOJJX-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001324262286 912745351 /nfs/dbraw/zinc/74/53/51/912745351.db2.gz WSZSDIQYIYNCBZ-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001324668419 912974849 /nfs/dbraw/zinc/97/48/49/912974849.db2.gz FSLVZWZVGXTLQP-OAHLLOKOSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325097778 913208233 /nfs/dbraw/zinc/20/82/33/913208233.db2.gz OMQKSYRIMHDEDS-NFAWXSAZSA-N 2 0 281.400 0.066 20 30 CCEDRP CCC[N@H+](C)CC(=O)NCC[NH+](C)CC#CCOC ZINC001480937611 891897804 /nfs/dbraw/zinc/89/78/04/891897804.db2.gz OHVMEBUMUHVSOF-UHFFFAOYSA-N 2 0 269.389 0.026 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001480951348 891936331 /nfs/dbraw/zinc/93/63/31/891936331.db2.gz YEQCZZUJKAXRGG-UHFFFAOYSA-N 2 0 275.396 0.403 20 30 CCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001325988726 913676875 /nfs/dbraw/zinc/67/68/75/913676875.db2.gz JSNZQBBWHHGKFP-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001326001643 913689219 /nfs/dbraw/zinc/68/92/19/913689219.db2.gz NEMISZDCTPOMOQ-NWDGAFQWSA-N 2 0 252.362 0.656 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481746578 893111118 /nfs/dbraw/zinc/11/11/18/893111118.db2.gz GGAWZVKYMLWUGQ-STQMWFEESA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001481810335 893175713 /nfs/dbraw/zinc/17/57/13/893175713.db2.gz FXCQXYKRESNASL-ZIAGYGMSSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CC[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482135512 893420691 /nfs/dbraw/zinc/42/06/91/893420691.db2.gz HMWLIEQVWDAWKH-LBPRGKRZSA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1CN(C)CCO1 ZINC001482916726 894685032 /nfs/dbraw/zinc/68/50/32/894685032.db2.gz YQLBVZUWZUROOE-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001506949928 894952053 /nfs/dbraw/zinc/95/20/53/894952053.db2.gz DZIMVIBMYYYWJB-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001483512308 895622698 /nfs/dbraw/zinc/62/26/98/895622698.db2.gz VHXJFMYLYMXAFA-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597908 895672175 /nfs/dbraw/zinc/67/21/75/895672175.db2.gz DLJRPMRBIMDGAG-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001484490866 896436360 /nfs/dbraw/zinc/43/63/60/896436360.db2.gz HNGOKROKEWTCMU-HNNXBMFYSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157685 896826733 /nfs/dbraw/zinc/82/67/33/896826733.db2.gz MWUDELZLCBZOJA-OLZOCXBDSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001485650622 897160841 /nfs/dbraw/zinc/16/08/41/897160841.db2.gz XXSLOVZYNKTOSN-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP N#Cc1ccnc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205240639 897725165 /nfs/dbraw/zinc/72/51/65/897725165.db2.gz MMSSNHMZGZRDMI-CQSZACIVSA-N 2 0 260.341 0.629 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001280628367 899900478 /nfs/dbraw/zinc/90/04/78/899900478.db2.gz JOVKXEICSLQNIS-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1 ZINC001488871365 900398213 /nfs/dbraw/zinc/39/82/13/900398213.db2.gz VIOBJMYKLJKNAI-SHTZXODSSA-N 2 0 295.427 0.462 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001488843519 900401139 /nfs/dbraw/zinc/40/11/39/900401139.db2.gz HCEGDXSPQBOOOV-RBSFLKMASA-N 2 0 293.411 0.215 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001327655417 914683423 /nfs/dbraw/zinc/68/34/23/914683423.db2.gz BLBCFWVGZVSTKD-UHFFFAOYSA-N 2 0 269.389 0.379 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001491023351 903296899 /nfs/dbraw/zinc/29/68/99/903296899.db2.gz QRODVFDJOLVBAU-HZSPNIEDSA-N 2 0 283.391 0.926 20 30 CCEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001491556567 903926920 /nfs/dbraw/zinc/92/69/20/903926920.db2.gz AJGAVLOKRSKPEX-HIFRSBDPSA-N 2 0 295.427 0.910 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001281634009 904315768 /nfs/dbraw/zinc/31/57/68/904315768.db2.gz GBKDHUNLIFPXKU-UHFFFAOYSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C)C[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001282052582 904398191 /nfs/dbraw/zinc/39/81/91/904398191.db2.gz GYNUTWVZSLKRDK-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282873910 904559108 /nfs/dbraw/zinc/55/91/08/904559108.db2.gz MADRODJHVZWGIX-APIJFGDWSA-N 2 0 277.412 0.500 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001283052407 904682660 /nfs/dbraw/zinc/68/26/60/904682660.db2.gz RIMYQTIJUYOCQA-SHTZXODSSA-N 2 0 289.423 0.980 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317163430 904796036 /nfs/dbraw/zinc/79/60/36/904796036.db2.gz UMJMLNSRNSSAGZ-HNNXBMFYSA-N 2 0 289.423 0.934 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC001295283991 906703696 /nfs/dbraw/zinc/70/36/96/906703696.db2.gz NIJOXNTUJCLLJE-SOUVJXGZSA-N 2 0 295.427 0.814 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CCC ZINC001317411261 908209527 /nfs/dbraw/zinc/20/95/27/908209527.db2.gz DJRLVUXICGBYOD-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CC[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001317467996 908276547 /nfs/dbraw/zinc/27/65/47/908276547.db2.gz OCHKLVVDZPJDSD-UHFFFAOYSA-N 2 0 269.389 0.331 20 30 CCEDRP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001311397524 908549255 /nfs/dbraw/zinc/54/92/55/908549255.db2.gz FGNBPIZPRXXPFN-GJZGRUSLSA-N 2 0 294.443 0.971 20 30 CCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316749424 908766640 /nfs/dbraw/zinc/76/66/40/908766640.db2.gz UBMYWUOJSITOCO-CABCVRRESA-N 2 0 295.427 0.409 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001316800288 908776706 /nfs/dbraw/zinc/77/67/06/908776706.db2.gz ULSPJJDLHIHKML-CABCVRRESA-N 2 0 295.427 0.555 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001317063667 908954082 /nfs/dbraw/zinc/95/40/82/908954082.db2.gz BPAORVZPFIBQKM-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317113436 908990293 /nfs/dbraw/zinc/99/02/93/908990293.db2.gz KPOXBNAWDVITRU-OKILXGFUSA-N 2 0 275.396 0.875 20 30 CCEDRP C=CCC[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317461841 909236813 /nfs/dbraw/zinc/23/68/13/909236813.db2.gz SPKPVSOWIXPRDK-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318276822 909684657 /nfs/dbraw/zinc/68/46/57/909684657.db2.gz UIIYCLMHYBIFQB-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001318538996 909805893 /nfs/dbraw/zinc/80/58/93/909805893.db2.gz AYCUQYYIOTUVIK-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319207180 910038783 /nfs/dbraw/zinc/03/87/83/910038783.db2.gz HGBABXJQWJBLPG-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321057791 911053641 /nfs/dbraw/zinc/05/36/41/911053641.db2.gz SLSQNCGTDBNSRN-GEXIGZQTSA-N 2 0 263.385 0.754 20 30 CCEDRP C=CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](C)CC1 ZINC001321221607 911172818 /nfs/dbraw/zinc/17/28/18/911172818.db2.gz HXMWUHJTUKSBJV-SNAWJCMRSA-N 2 0 251.374 0.776 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001321308702 911226137 /nfs/dbraw/zinc/22/61/37/911226137.db2.gz XRCNUWWHUKPCLS-WAYWQWQTSA-N 2 0 293.411 0.383 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321712625 911456675 /nfs/dbraw/zinc/45/66/75/911456675.db2.gz GYIOZYUENACIBF-KGLIPLIRSA-N 2 0 283.416 0.317 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001329105683 915672548 /nfs/dbraw/zinc/67/25/48/915672548.db2.gz BGJQQQXRLMNRPT-STQMWFEESA-N 2 0 269.389 0.071 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330428181 916625342 /nfs/dbraw/zinc/62/53/42/916625342.db2.gz LQKNSISXVMDRCW-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC001335790071 920435119 /nfs/dbraw/zinc/43/51/19/920435119.db2.gz ZXRFVCSDTRLXRT-AGIUHOORSA-N 2 0 264.373 0.560 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC001340887516 922257652 /nfs/dbraw/zinc/25/76/52/922257652.db2.gz ORGYXLMJLSFPKM-CQSZACIVSA-N 2 0 259.353 0.286 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341016199 922317153 /nfs/dbraw/zinc/31/71/53/922317153.db2.gz XLQCKKCLZLBXOA-IEBDPFPHSA-N 2 0 259.781 0.818 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC001341665518 922615055 /nfs/dbraw/zinc/61/50/55/922615055.db2.gz ODADXFINXZGMNR-MRXNPFEDSA-N 2 0 285.391 0.945 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC001341710704 922638184 /nfs/dbraw/zinc/63/81/84/922638184.db2.gz GEJRIDRNHJGHNF-BXUZGUMPSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC001345152711 923809914 /nfs/dbraw/zinc/80/99/14/923809914.db2.gz GRYLJKQGNJMTMM-OUCADQQQSA-N 2 0 251.374 0.928 20 30 CCEDRP C[NH2+]CCN(C(=O)C#CC1CC[NH2+]CC1)C(C)C ZINC001354864421 926177323 /nfs/dbraw/zinc/17/73/23/926177323.db2.gz JGNSENZAEZDHFH-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001357428470 926528396 /nfs/dbraw/zinc/52/83/96/926528396.db2.gz NOZVUYXPDJTQQN-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCCC#N ZINC000112362191 349779975 /nfs/dbraw/zinc/77/99/75/349779975.db2.gz ZPIKFHPBCSANCD-UHFFFAOYSA-N 2 0 290.433 0.045 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600719638 362044797 /nfs/dbraw/zinc/04/47/97/362044797.db2.gz CVXKSOVLLOJJBF-KGLIPLIRSA-N 2 0 280.416 0.267 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601550673 362308877 /nfs/dbraw/zinc/30/88/77/362308877.db2.gz DFNXMQDCMHRBNT-RDBSUJKOSA-N 2 0 278.400 0.998 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528089 362658748 /nfs/dbraw/zinc/65/87/48/362658748.db2.gz BFCLRXZSDPYBEB-RYUDHWBXSA-N 2 0 264.373 0.798 20 30 CCEDRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847335 362835096 /nfs/dbraw/zinc/83/50/96/362835096.db2.gz AITGNAWGYHTAHL-QLFBSQMISA-N 2 0 282.432 0.606 20 30 CCEDRP CNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060169144 348641824 /nfs/dbraw/zinc/64/18/24/348641824.db2.gz LTWPWDJSJILION-UHFFFAOYSA-N 2 0 275.400 0.338 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066245387 348738372 /nfs/dbraw/zinc/73/83/72/348738372.db2.gz XUASATWCOKRHFJ-OAHLLOKOSA-N 2 0 288.395 0.496 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261833934 352564727 /nfs/dbraw/zinc/56/47/27/352564727.db2.gz QESMELDMNLXJJN-OLZOCXBDSA-N 2 0 267.373 0.259 20 30 CCEDRP C#CCNC(=O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000491202070 358292551 /nfs/dbraw/zinc/29/25/51/358292551.db2.gz LNXYHJYRTXSSIS-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000563816360 358558311 /nfs/dbraw/zinc/55/83/11/358558311.db2.gz LNDMYQHNYGBWJZ-LLVKDONJSA-N 2 0 282.388 0.448 20 30 CCEDRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+]1CCCC1 ZINC000591729138 359648318 /nfs/dbraw/zinc/64/83/18/359648318.db2.gz PRDQIBOCUBGEHN-LSDHHAIUSA-N 2 0 282.432 0.514 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000591770770 359657299 /nfs/dbraw/zinc/65/72/99/359657299.db2.gz YNFAMDYPBOVDHI-GJZGRUSLSA-N 2 0 282.432 0.514 20 30 CCEDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000592334977 359820200 /nfs/dbraw/zinc/82/02/00/359820200.db2.gz LPCKSCVHNHKLRX-GARJFASQSA-N 2 0 256.325 0.166 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH+](C)CC1 ZINC000594437480 360306264 /nfs/dbraw/zinc/30/62/64/360306264.db2.gz CJCDQSUJRXFPGR-CYBMUJFWSA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@](C[NH3+])(NC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594424428 360300106 /nfs/dbraw/zinc/30/01/06/360300106.db2.gz DJVMABIGOKQJHG-DGCLKSJQSA-N 2 0 252.362 0.641 20 30 CCEDRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594427058 360300639 /nfs/dbraw/zinc/30/06/39/360300639.db2.gz SLBGKKXKKDMMLG-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000594427885 360302276 /nfs/dbraw/zinc/30/22/76/360302276.db2.gz WLAVUGXSKRERCZ-RYUDHWBXSA-N 2 0 252.362 0.737 20 30 CCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435712 360304595 /nfs/dbraw/zinc/30/45/95/360304595.db2.gz IRHLNONQMNWAKE-MNOVXSKESA-N 2 0 252.362 0.654 20 30 CCEDRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594436297 360304779 /nfs/dbraw/zinc/30/47/79/360304779.db2.gz CVEKQXKKRYWAQR-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594452673 360316018 /nfs/dbraw/zinc/31/60/18/360316018.db2.gz UIPWQCACZMENTJ-HTQZYQBOSA-N 2 0 266.267 0.403 20 30 CCEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)NCC#N)C2 ZINC000595507972 360554501 /nfs/dbraw/zinc/55/45/01/360554501.db2.gz SKGAFMCCCOOMAP-CYBMUJFWSA-N 2 0 250.346 0.044 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595944562 360722362 /nfs/dbraw/zinc/72/23/62/360722362.db2.gz NPDXJYIMMUMRSL-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595942924 360718626 /nfs/dbraw/zinc/71/86/26/360718626.db2.gz FCCFBISGQJZBMK-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598701507 361489868 /nfs/dbraw/zinc/48/98/68/361489868.db2.gz WCWMCNBDVGOMIY-OAHLLOKOSA-N 2 0 296.459 0.904 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579553 369722980 /nfs/dbraw/zinc/72/29/80/369722980.db2.gz GTVSGBJMNYKJQV-MJBXVCDLSA-N 2 0 254.374 0.624 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC2([NH3+])CCOCC2)CCC[NH2+]1 ZINC000638542011 375132494 /nfs/dbraw/zinc/13/24/94/375132494.db2.gz WLBIOJGYXPWPNB-AWEZNQCLSA-N 2 0 267.373 0.309 20 30 CCEDRP C#CC[NH+](CC#C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191521923 389012487 /nfs/dbraw/zinc/01/24/87/389012487.db2.gz UUCBOSPYUZTHBP-UHFFFAOYSA-N 2 0 261.413 0.971 20 30 CCEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000104175121 389080376 /nfs/dbraw/zinc/08/03/76/389080376.db2.gz BMIIRDQWUIZIMR-UHFFFAOYSA-N 2 0 267.421 0.425 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125297473 389165370 /nfs/dbraw/zinc/16/53/70/389165370.db2.gz ZNEPSNUOLSUNRR-RVMXOQNASA-N 2 0 251.374 0.736 20 30 CCEDRP C=CCNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000261697492 389274528 /nfs/dbraw/zinc/27/45/28/389274528.db2.gz CCIIPPGPWDWFTK-UHFFFAOYSA-N 2 0 288.399 0.424 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccnc1C ZINC000264095106 389306036 /nfs/dbraw/zinc/30/60/36/389306036.db2.gz MKHOHBRJNPYVQG-CQSZACIVSA-N 2 0 292.431 0.970 20 30 CCEDRP C[NH+]=C(NCc1ccoc1)NC[C@@H]1CC[N@H+](C)C1 ZINC000176306137 389556816 /nfs/dbraw/zinc/55/68/16/389556816.db2.gz OSZCBOMKPPARND-NSHDSACASA-N 2 0 250.346 0.896 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420295304 389979368 /nfs/dbraw/zinc/97/93/68/389979368.db2.gz VFGCUPKBAVXIAT-UPJWGTAASA-N 2 0 251.374 0.833 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000420303295 389980651 /nfs/dbraw/zinc/98/06/51/389980651.db2.gz CRJHYQVIQBAGMM-CHWSQXEVSA-N 2 0 251.374 0.834 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491566186 390114879 /nfs/dbraw/zinc/11/48/79/390114879.db2.gz DZOQELQMBVTNKO-STQMWFEESA-N 2 0 266.389 0.239 20 30 CCEDRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000584410884 390341664 /nfs/dbraw/zinc/34/16/64/390341664.db2.gz YFMSTRGOLFSLSV-KGLIPLIRSA-N 2 0 296.415 0.217 20 30 CCEDRP C=C[C@](C)(O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578375277 390880810 /nfs/dbraw/zinc/88/08/10/390880810.db2.gz LYWYGSHYPBRUKX-AWEZNQCLSA-N 2 0 271.405 0.265 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662765150 414772658 /nfs/dbraw/zinc/77/26/58/414772658.db2.gz RJRVLBOMVRGDFB-SGMGOOAPSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(O)C[NH2+]C1)C(C)C ZINC000662681587 414740308 /nfs/dbraw/zinc/74/03/08/414740308.db2.gz JENDODQXOMRKFJ-CYBMUJFWSA-N 2 0 281.400 0.136 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN2CCOCC2(C)C)CCC[NH2+]1 ZINC000662715852 414745711 /nfs/dbraw/zinc/74/57/11/414745711.db2.gz WTSUJMFNKZEGMM-INIZCTEOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000237914307 544899579 /nfs/dbraw/zinc/89/95/79/544899579.db2.gz VBOCRGUVDHZUAJ-QWHCGFSZSA-N 2 0 251.374 0.880 20 30 CCEDRP CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264098922 262870616 /nfs/dbraw/zinc/87/06/16/262870616.db2.gz NLJDOCOBRSEEBW-UHFFFAOYSA-N 2 0 250.346 0.661 20 30 CCEDRP CC[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](O)[C@@H](CC)C2)C[C@H]1O ZINC000341902928 263364675 /nfs/dbraw/zinc/36/46/75/263364675.db2.gz GHQYACXVYLEUBP-GEEKYZPCSA-N 2 0 280.412 0.395 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(C#N)CCC1 ZINC000563629351 328078801 /nfs/dbraw/zinc/07/88/01/328078801.db2.gz UVIHMGABWPBFRI-UHFFFAOYSA-N 2 0 295.431 0.815 20 30 CCEDRP CCNC(=[NH2+])NCc1ccc(CNC(=[NH2+])NCC)cc1 ZINC000274195503 328209243 /nfs/dbraw/zinc/20/92/43/328209243.db2.gz LTWUBZPEQBBVKJ-UHFFFAOYSA-N 2 0 276.388 0.535 20 30 CCEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000530815679 326892360 /nfs/dbraw/zinc/89/23/60/326892360.db2.gz TUTCHOGTIXAONC-STQMWFEESA-N 2 0 278.400 0.963 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000576339864 327028830 /nfs/dbraw/zinc/02/88/30/327028830.db2.gz ZQWVMNDSCVDZJF-SOUVJXGZSA-N 2 0 282.432 0.655 20 30 CCEDRP CSC1(CNC2=[NH+]C[C@@H](C)N2)CC[NH+](C)CC1 ZINC000262417094 330009056 /nfs/dbraw/zinc/00/90/56/330009056.db2.gz ZFYMRVKZUOUFLD-SNVBAGLBSA-N 2 0 256.419 0.751 20 30 CCEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N[C@@H]1CCC(=O)N(C)C1 ZINC000262774146 330030681 /nfs/dbraw/zinc/03/06/81/330030681.db2.gz JSBOQMZIFVNELM-LLVKDONJSA-N 2 0 283.420 0.160 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCOC1 ZINC000262859655 330035555 /nfs/dbraw/zinc/03/55/55/330035555.db2.gz YZJMIVCMRVWLIZ-OLZOCXBDSA-N 2 0 280.416 0.672 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424055861 330218323 /nfs/dbraw/zinc/21/83/23/330218323.db2.gz GFZHKAJOCAORPH-SRVKXCTJSA-N 2 0 252.362 0.736 20 30 CCEDRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424128332 330259459 /nfs/dbraw/zinc/25/94/59/330259459.db2.gz FFIUAYLGTOSNQW-VXGBXAGGSA-N 2 0 254.378 0.854 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C[N@@H+]1C1CC1 ZINC000424137634 330274877 /nfs/dbraw/zinc/27/48/77/330274877.db2.gz BCJJHBOCRFKSBA-NQBHXWOUSA-N 2 0 264.373 0.749 20 30 CCEDRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424139435 330279089 /nfs/dbraw/zinc/27/90/89/330279089.db2.gz VGVSTRXQLMJBPA-MJBXVCDLSA-N 2 0 296.415 0.623 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000424151897 330297192 /nfs/dbraw/zinc/29/71/92/330297192.db2.gz IPIYGVOICACSJH-YPMHNXCESA-N 2 0 287.367 0.857 20 30 CCEDRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424157607 330304983 /nfs/dbraw/zinc/30/49/83/330304983.db2.gz QAXDVNBPSAPLAC-ZDUSSCGKSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000424159301 330306163 /nfs/dbraw/zinc/30/61/63/330306163.db2.gz VJIGEGJGBVIQTA-LOWDOPEQSA-N 2 0 264.373 0.593 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000424196676 330325612 /nfs/dbraw/zinc/32/56/12/330325612.db2.gz VMTASYPRIRWKFH-RKDXNWHRSA-N 2 0 260.288 0.121 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000424197786 330326104 /nfs/dbraw/zinc/32/61/04/330326104.db2.gz OQVTYKBTANYDGC-VXGBXAGGSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+](C)CC#C ZINC000491536617 332232180 /nfs/dbraw/zinc/23/21/80/332232180.db2.gz LDMYRJDEGPLQJI-UHFFFAOYSA-N 2 0 278.400 0.196 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000491629909 332252794 /nfs/dbraw/zinc/25/27/94/332252794.db2.gz NCWDMHOFCJJENZ-CQSZACIVSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCN(C)Cc1ccccc1 ZINC000491700977 332295567 /nfs/dbraw/zinc/29/55/67/332295567.db2.gz UDRKXKMZZSZTHI-UHFFFAOYSA-N 2 0 273.380 0.848 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000491776508 332341960 /nfs/dbraw/zinc/34/19/60/332341960.db2.gz WEFZCQLGJLYYSJ-UHFFFAOYSA-N 2 0 280.416 0.679 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000491818227 332368512 /nfs/dbraw/zinc/36/85/12/332368512.db2.gz KNLRNCHKCSXGFI-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236659475 333374450 /nfs/dbraw/zinc/37/44/50/333374450.db2.gz SLZLGFAVKPIDJH-AWEZNQCLSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714073 335164557 /nfs/dbraw/zinc/16/45/57/335164557.db2.gz FSWJMSPPCXSUEU-AWEZNQCLSA-N 2 0 282.432 0.246 20 30 CCEDRP C=C[C@@H](O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000667812142 545156704 /nfs/dbraw/zinc/15/67/04/545156704.db2.gz FFJKTYRDYJAWAL-ZIAGYGMSSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(C)[C@@H](CO)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678719334 545396818 /nfs/dbraw/zinc/39/68/18/545396818.db2.gz GKPKIBHLYGFRKV-OAHLLOKOSA-N 2 0 269.433 0.881 20 30 CCEDRP CN(C(=[NH2+])NCCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000305807069 649879721 /nfs/dbraw/zinc/87/97/21/649879721.db2.gz GYCMRULHLRJYFV-UHFFFAOYSA-N 2 0 267.421 0.423 20 30 CCEDRP C#CCNC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000766992767 581591410 /nfs/dbraw/zinc/59/14/10/581591410.db2.gz CKTOXXRHMMIDPO-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)C(C)C ZINC000730276400 581689707 /nfs/dbraw/zinc/68/97/07/581689707.db2.gz LDALRNWXBQHAJI-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000764510512 582054477 /nfs/dbraw/zinc/05/44/77/582054477.db2.gz XZQXFQYPERDHFT-UHFFFAOYSA-N 2 0 253.390 0.742 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000965849987 612953928 /nfs/dbraw/zinc/95/39/28/612953928.db2.gz FAMHRHGJSXUJMM-UHFFFAOYSA-N 2 0 287.407 0.732 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891921788 613073745 /nfs/dbraw/zinc/07/37/45/613073745.db2.gz VURUYPZVXWLILU-ZIAGYGMSSA-N 2 0 278.400 0.477 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877003994 613390346 /nfs/dbraw/zinc/39/03/46/613390346.db2.gz FJLZAPCIVUDASL-VHSXEESVSA-N 2 0 257.765 0.857 20 30 CCEDRP CC(C)C#CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017496 614326719 /nfs/dbraw/zinc/32/67/19/614326719.db2.gz PCLALDMIHLKZMC-HUUCEWRRSA-N 2 0 279.428 0.844 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000968966833 612960699 /nfs/dbraw/zinc/96/06/99/612960699.db2.gz DUDRLKDBEUFYKA-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969169813 612962815 /nfs/dbraw/zinc/96/28/15/612962815.db2.gz IBWUOGRKDCCGBL-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000820197309 612998789 /nfs/dbraw/zinc/99/87/89/612998789.db2.gz MLBVPYDOBZJGGM-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961787742 613042661 /nfs/dbraw/zinc/04/26/61/613042661.db2.gz LJJMSEGXZZGALY-TTZDDIAXSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000925346538 613067746 /nfs/dbraw/zinc/06/77/46/613067746.db2.gz CZLVQKBLHRLNCO-UKRRQHHQSA-N 2 0 292.427 0.818 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846166919 613074743 /nfs/dbraw/zinc/07/47/43/613074743.db2.gz FDBFZFDQGAWEQE-HOCLYGCPSA-N 2 0 292.427 0.712 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000846169019 613075456 /nfs/dbraw/zinc/07/54/56/613075456.db2.gz XFBAOSQVQFXEPC-UHFFFAOYSA-N 2 0 266.389 0.370 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861974 613089369 /nfs/dbraw/zinc/08/93/69/613089369.db2.gz VKJJAUJAXZDTMP-AWEZNQCLSA-N 2 0 275.396 0.781 20 30 CCEDRP C#C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878843941 613105840 /nfs/dbraw/zinc/10/58/40/613105840.db2.gz NGUGJMWSWVBDRK-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#C[C@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000820446714 613115152 /nfs/dbraw/zinc/11/51/52/613115152.db2.gz OICGRQXDCWVSHB-AWEZNQCLSA-N 2 0 282.432 0.923 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC23CC[NH+](CC2)C3)CC1 ZINC000913629235 613129976 /nfs/dbraw/zinc/12/99/76/613129976.db2.gz UNKNZDDLMFGESP-UHFFFAOYSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982012733 613141966 /nfs/dbraw/zinc/14/19/66/613141966.db2.gz FXHJVWFOTIXYNO-LSDHHAIUSA-N 2 0 289.423 0.742 20 30 CCEDRP C[NH+]=C(NCc1ccnc(OCC[NH+](C)C)c1)NC1CC1 ZINC000849014519 613220350 /nfs/dbraw/zinc/22/03/50/613220350.db2.gz NKWVCNMJMUAFMF-UHFFFAOYSA-N 2 0 291.399 0.849 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621189 613262356 /nfs/dbraw/zinc/26/23/56/613262356.db2.gz PILJFKMVCWNETL-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244718 613291044 /nfs/dbraw/zinc/29/10/44/613291044.db2.gz YNVADYXVBOXRDY-HRCADAONSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982235271 613293320 /nfs/dbraw/zinc/29/33/20/613293320.db2.gz KZJXXKVEHDVRJX-BHYGNILZSA-N 2 0 289.423 0.884 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961767809 613344676 /nfs/dbraw/zinc/34/46/76/613344676.db2.gz ZTDXHPROUJDECC-NYTXWWLZSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000764578124 613365772 /nfs/dbraw/zinc/36/57/72/613365772.db2.gz WFWSCMYKYZZCRJ-DGCLKSJQSA-N 2 0 253.390 0.903 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000764578130 613365843 /nfs/dbraw/zinc/36/58/43/613365843.db2.gz WFWSCMYKYZZCRJ-YPMHNXCESA-N 2 0 253.390 0.903 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874830359 613366208 /nfs/dbraw/zinc/36/62/08/613366208.db2.gz QWIIYTOJYUSQJQ-OLZOCXBDSA-N 2 0 251.374 0.799 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000876856146 613388194 /nfs/dbraw/zinc/38/81/94/613388194.db2.gz JOBJKHWLWIPLHU-ZJUUUORDSA-N 2 0 257.765 0.715 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000876744066 613390214 /nfs/dbraw/zinc/39/02/14/613390214.db2.gz MYXCVKFZHNJHDH-SRVKXCTJSA-N 2 0 287.791 0.436 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407510 613627775 /nfs/dbraw/zinc/62/77/75/613627775.db2.gz YXJCSUCTBNGKBF-ZDUSSCGKSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960053 613692767 /nfs/dbraw/zinc/69/27/67/613692767.db2.gz RKTOPNBNHIINET-ZIAGYGMSSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1=O ZINC000931439756 613739843 /nfs/dbraw/zinc/73/98/43/613739843.db2.gz ZHDWHKILJJIVOZ-HZSPNIEDSA-N 2 0 263.385 0.657 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970358019 613863604 /nfs/dbraw/zinc/86/36/04/613863604.db2.gz WHAJGLVDOPSTQX-CYBMUJFWSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CCOCCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925705342 613880392 /nfs/dbraw/zinc/88/03/92/613880392.db2.gz ALIQJPJHEDQYOA-YXSUXZIUSA-N 2 0 254.374 0.921 20 30 CCEDRP CC(C)C[C@@](C)(C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852800007 614208071 /nfs/dbraw/zinc/20/80/71/614208071.db2.gz WAZHFGVNJCLOID-HNNXBMFYSA-N 2 0 265.401 0.869 20 30 CCEDRP CCCN(CC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884378431 614579012 /nfs/dbraw/zinc/57/90/12/614579012.db2.gz SDBOYQSTRWWWTG-NPCAHTBFSA-N 2 0 292.427 0.926 20 30 CCEDRP CC[C@H](C(=O)NCC#CC[NH+](C)C)[NH+](CC)CC ZINC000913518847 615605769 /nfs/dbraw/zinc/60/57/69/615605769.db2.gz DDSVTONMBDOMJS-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)o1 ZINC000814110399 615895480 /nfs/dbraw/zinc/89/54/80/615895480.db2.gz NPXUOPQOBYGVCJ-UHFFFAOYSA-N 2 0 278.356 0.717 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884196574 615989311 /nfs/dbraw/zinc/98/93/11/615989311.db2.gz VEGVYAPXWUSZNC-MYMJJRTCSA-N 2 0 290.411 0.582 20 30 CCEDRP CN(CC[NH+]1CCCCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852896753 616087036 /nfs/dbraw/zinc/08/70/36/616087036.db2.gz GWFFVBRVNGCOEK-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834504437 616180969 /nfs/dbraw/zinc/18/09/69/616180969.db2.gz BBHQWGNCGHWGCK-XQQFMLRXSA-N 2 0 264.373 0.479 20 30 CCEDRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834504438 616181147 /nfs/dbraw/zinc/18/11/47/616181147.db2.gz BBHQWGNCGHWGCK-YNEHKIRRSA-N 2 0 264.373 0.479 20 30 CCEDRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876518632 617052533 /nfs/dbraw/zinc/05/25/33/617052533.db2.gz WHTVQFDUOUHQIX-GOEBONIOSA-N 2 0 298.390 0.955 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148413 625343813 /nfs/dbraw/zinc/34/38/13/625343813.db2.gz HJOFBVJIAUGUPK-NBFUAULTSA-N 2 0 289.423 0.929 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]12 ZINC001026401875 625431652 /nfs/dbraw/zinc/43/16/52/625431652.db2.gz ZLVSRDOPKIKWGN-RBSFLKMASA-N 2 0 287.407 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C(C)C)C2)CC1 ZINC001023128325 622919477 /nfs/dbraw/zinc/91/94/77/622919477.db2.gz ZMNTWEKKSWEGBU-GASCZTMLSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744878 623125156 /nfs/dbraw/zinc/12/51/56/623125156.db2.gz WICKPWHFMHJIQI-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020589978 624544439 /nfs/dbraw/zinc/54/44/39/624544439.db2.gz JCGNXJUOXORPKJ-XUXIUFHCSA-N 2 0 265.401 0.997 20 30 CCEDRP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261660074 624814767 /nfs/dbraw/zinc/81/47/67/624814767.db2.gz ARGQMHYLZHELKO-GXTWGEPZSA-N 2 0 294.443 0.939 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089895 624872090 /nfs/dbraw/zinc/87/20/90/624872090.db2.gz NRAPNOFWADMQBQ-HZSPNIEDSA-N 2 0 263.385 0.751 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCOC1 ZINC000261968226 624930089 /nfs/dbraw/zinc/93/00/89/624930089.db2.gz CFNYOHVCMNHHEL-NEPJUHHUSA-N 2 0 254.378 0.412 20 30 CCEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261974406 624947136 /nfs/dbraw/zinc/94/71/36/624947136.db2.gz NJHNBIBYCYRBPV-GXTWGEPZSA-N 3 0 295.475 0.974 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CC)C2)CC1 ZINC001027234414 625764154 /nfs/dbraw/zinc/76/41/54/625764154.db2.gz WATPEDALKCXWEB-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027443809 625885828 /nfs/dbraw/zinc/88/58/28/625885828.db2.gz OYBNRZYXNHYZEH-GJZGRUSLSA-N 2 0 277.412 0.883 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)C[C@H]1CCOC1 ZINC000261719351 631546503 /nfs/dbraw/zinc/54/65/03/631546503.db2.gz WMEQDWQKFAQQQC-QWHCGFSZSA-N 2 0 268.405 0.482 20 30 CCEDRP C[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261852027 631653178 /nfs/dbraw/zinc/65/31/78/631653178.db2.gz YDSHSIQEVVPATL-BXKDBHETSA-N 2 0 292.387 0.526 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262003724 631749656 /nfs/dbraw/zinc/74/96/56/631749656.db2.gz QNWADNJBUNPQFD-GFCCVEGCSA-N 2 0 256.394 0.576 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985754421 632635689 /nfs/dbraw/zinc/63/56/89/632635689.db2.gz CELYSFXLNOUVCN-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989605262 633335423 /nfs/dbraw/zinc/33/54/23/633335423.db2.gz JWAJILYRKFCISV-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CCN1CCCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000989708066 633347009 /nfs/dbraw/zinc/34/70/09/633347009.db2.gz NCIOEYDGUNECSN-OAHLLOKOSA-N 2 0 293.411 0.265 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009201576 650139179 /nfs/dbraw/zinc/13/91/79/650139179.db2.gz LDGPZZFEEDGOHV-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@H](C(=O)NCC#CC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000913517914 636834885 /nfs/dbraw/zinc/83/48/85/636834885.db2.gz VFMAAFUECVEBNR-MGPQQGTHSA-N 2 0 265.401 0.929 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000170908592 637104164 /nfs/dbraw/zinc/10/41/64/637104164.db2.gz MEXHFPMZQXROSG-LBPRGKRZSA-N 2 0 256.394 0.802 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981203 638806621 /nfs/dbraw/zinc/80/66/21/638806621.db2.gz NHERHBAHPHBPBF-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000996976090 638846875 /nfs/dbraw/zinc/84/68/75/638846875.db2.gz CXBIJRIQURGSRD-CQSZACIVSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008933 638848191 /nfs/dbraw/zinc/84/81/91/638848191.db2.gz NFWCVHFKEYNQNB-TZMCWYRMSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997220614 638859420 /nfs/dbraw/zinc/85/94/20/638859420.db2.gz DIHRNLBALWLNDR-INIZCTEOSA-N 2 0 275.396 0.686 20 30 CCEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999828075 639005901 /nfs/dbraw/zinc/00/59/01/639005901.db2.gz CFOXOBPFQCNICD-PNESKVBLSA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000183690 639049769 /nfs/dbraw/zinc/04/97/69/639049769.db2.gz KORFYUGKRKIUSN-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000705392 639159179 /nfs/dbraw/zinc/15/91/79/639159179.db2.gz BNHPDIUQDBCAGK-ZDUSSCGKSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001151003 639247699 /nfs/dbraw/zinc/24/76/99/639247699.db2.gz JSEYZIHZWJKSBR-HOCLYGCPSA-N 2 0 289.423 0.956 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001005990964 640059299 /nfs/dbraw/zinc/05/92/99/640059299.db2.gz KXZBOEINJXINID-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@H]1CCC[NH2+]C1 ZINC000834484863 642576199 /nfs/dbraw/zinc/57/61/99/642576199.db2.gz OIXAJVYINOBROV-MROQNXINSA-N 2 0 264.373 0.240 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000852882851 644041244 /nfs/dbraw/zinc/04/12/44/644041244.db2.gz RCCNPHYNBQUZQO-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C[C@H](CCNC(=O)C#CC1CC[NH2+]CC1)[NH+](C)C ZINC000852902606 644050873 /nfs/dbraw/zinc/05/08/73/644050873.db2.gz JYCSYADUROWGAX-GFCCVEGCSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001018990166 650927109 /nfs/dbraw/zinc/92/71/09/650927109.db2.gz DUDRLKDBEUFYKA-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H](C[NH3+])C1CC1 ZINC000867961299 645689389 /nfs/dbraw/zinc/68/93/89/645689389.db2.gz WCROBQABCXHDAM-HUUCEWRRSA-N 2 0 284.363 0.599 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CCC[NH2+]1 ZINC000867964437 645690867 /nfs/dbraw/zinc/69/08/67/645690867.db2.gz YNGUXPNEAUDVCS-UKRRQHHQSA-N 2 0 284.363 0.613 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179059 651047351 /nfs/dbraw/zinc/04/73/51/651047351.db2.gz MLHZKJVZWIRHCD-ZQDZILKHSA-N 2 0 293.411 0.663 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877385112 646806810 /nfs/dbraw/zinc/80/68/10/646806810.db2.gz BEAZNVRRNVTUQS-OUCADQQQSA-N 2 0 264.373 0.798 20 30 CCEDRP C[C@](C[NH3+])(NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884031445 647618716 /nfs/dbraw/zinc/61/87/16/647618716.db2.gz PFWLEFBVNUFIRN-NBBFTKGGSA-N 2 0 276.384 0.369 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C2 ZINC000884237538 647674915 /nfs/dbraw/zinc/67/49/15/647674915.db2.gz FYZHHBDDLCZPMP-ZWLBXZKKSA-N 2 0 288.395 0.479 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCCCC[NH3+])C2 ZINC000884375645 647722806 /nfs/dbraw/zinc/72/28/06/647722806.db2.gz HJSAIPRWDDJOPJ-JVWICGRDSA-N 2 0 278.400 0.761 20 30 CCEDRP C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[NH2+]1 ZINC000884438240 647738118 /nfs/dbraw/zinc/73/81/18/647738118.db2.gz WRQPKFSULJDGIH-FOVPLOTGSA-N 2 0 276.384 0.382 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303370053 649817471 /nfs/dbraw/zinc/81/74/71/649817471.db2.gz JYDUSHJPQYAXNM-GFCCVEGCSA-N 2 0 297.447 0.667 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303863609 649826032 /nfs/dbraw/zinc/82/60/32/649826032.db2.gz AHAOEZCNXJVLTH-ZDUSSCGKSA-N 2 0 283.464 0.963 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883940 649826293 /nfs/dbraw/zinc/82/62/93/649826293.db2.gz MMDUQZIIJSBYTA-NEPJUHHUSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303878990 649826309 /nfs/dbraw/zinc/82/63/09/649826309.db2.gz GIKUJFQGIJMYLX-GFCCVEGCSA-N 2 0 269.437 0.715 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303896441 649826417 /nfs/dbraw/zinc/82/64/17/649826417.db2.gz ULTNKXCAYMLHLE-ZDUSSCGKSA-N 2 0 269.437 0.526 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303898170 649826446 /nfs/dbraw/zinc/82/64/46/649826446.db2.gz VJVPAQHXCKKNBV-ZIAGYGMSSA-N 2 0 292.431 0.908 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000303892568 649826619 /nfs/dbraw/zinc/82/66/19/649826619.db2.gz NOGFDKYHLVUOOL-LBPRGKRZSA-N 2 0 256.394 0.658 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000303969664 649827199 /nfs/dbraw/zinc/82/71/99/649827199.db2.gz BXSBETQNEZSYMH-UONOGXRCSA-N 2 0 281.448 0.669 20 30 CCEDRP CC(C)CCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303977484 649827609 /nfs/dbraw/zinc/82/76/09/649827609.db2.gz LEACFGNTNRVGEG-UHFFFAOYSA-N 2 0 283.464 0.964 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000303983671 649827990 /nfs/dbraw/zinc/82/79/90/649827990.db2.gz RLHNRYFGQCPTCK-GFCCVEGCSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000304013764 649828884 /nfs/dbraw/zinc/82/88/84/649828884.db2.gz CBJXRSKLZTZYNF-CHWSQXEVSA-N 2 0 268.405 0.944 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC[NH+](C)C)OCC ZINC000304850152 649839947 /nfs/dbraw/zinc/83/99/47/649839947.db2.gz WYGJEWANWUWIMG-LBPRGKRZSA-N 2 0 256.394 0.824 20 30 CCEDRP N#Cc1cnc2cc[nH]c(N3C[C@H]4COC[C@@H](C3)C4[NH3+])c1-2 ZINC001167188113 790688638 /nfs/dbraw/zinc/68/86/38/790688638.db2.gz REXKXEDSVGVMIX-BVUQATHDSA-N 2 0 283.335 0.844 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266482743 790774183 /nfs/dbraw/zinc/77/41/83/790774183.db2.gz HUKAHSDDRCROCM-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210217854 790828743 /nfs/dbraw/zinc/82/87/43/790828743.db2.gz MRJIMYWDGYDRAE-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266695093 791149414 /nfs/dbraw/zinc/14/94/14/791149414.db2.gz KFAICZIGJSPWBU-OKILXGFUSA-N 2 0 295.427 0.768 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266695109 791149742 /nfs/dbraw/zinc/14/97/42/791149742.db2.gz KQOAXVWEAWZBFT-ZNMIVQPWSA-N 2 0 295.427 0.910 20 30 CCEDRP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277603580 805891424 /nfs/dbraw/zinc/89/14/24/805891424.db2.gz GLOBALHTBBTFCB-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000092492723 791184560 /nfs/dbraw/zinc/18/45/60/791184560.db2.gz QTWBVSGFQXODLQ-UHFFFAOYSA-N 2 0 273.380 0.800 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266948624 791384073 /nfs/dbraw/zinc/38/40/73/791384073.db2.gz PQYJYIJWRXMSCY-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267048084 791478755 /nfs/dbraw/zinc/47/87/55/791478755.db2.gz UGJKMGXIQCKPPE-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001267109312 791551253 /nfs/dbraw/zinc/55/12/53/791551253.db2.gz GIFRVPINQDNSNG-BETUJISGSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267215995 791686964 /nfs/dbraw/zinc/68/69/64/791686964.db2.gz KBUCNIXRXOVSMP-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277822920 806163386 /nfs/dbraw/zinc/16/33/86/806163386.db2.gz HONDSOZQLFNXPO-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCN1CC[C@@]2(CCCN(C[C@@H](C)[NH3+])C2)C1=O ZINC001235495001 806435068 /nfs/dbraw/zinc/43/50/68/806435068.db2.gz VCWNYFZGZOWDSU-TZMCWYRMSA-N 2 0 251.374 0.834 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1COC ZINC001122331526 799201125 /nfs/dbraw/zinc/20/11/25/799201125.db2.gz LHRZASWYWNGFBU-NWDGAFQWSA-N 2 0 255.362 0.117 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001122582234 799269627 /nfs/dbraw/zinc/26/96/27/799269627.db2.gz YHPQMSPCFUSAOD-GHMZBOCLSA-N 2 0 259.781 0.962 20 30 CCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001278165614 806736745 /nfs/dbraw/zinc/73/67/45/806736745.db2.gz XQTCCZBRPJGMCY-HUUCEWRRSA-N 2 0 295.427 0.341 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717018 800361670 /nfs/dbraw/zinc/36/16/70/800361670.db2.gz VCVWOJQIDMRJRH-AWEZNQCLSA-N 2 0 281.400 0.475 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151815533 800461461 /nfs/dbraw/zinc/46/14/61/800461461.db2.gz WQKKXCXMIQOOOE-HNNXBMFYSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928015 801264906 /nfs/dbraw/zinc/26/49/06/801264906.db2.gz SEUWAPAYYBFBOS-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP N#Cc1c[nH]c2nc(NC(=[NH2+])NCCCC[NH3+])ncc12 ZINC001157100023 801300890 /nfs/dbraw/zinc/30/08/90/801300890.db2.gz WNWAKYFDJPFETA-UHFFFAOYSA-N 2 0 272.316 0.505 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001157747434 801469641 /nfs/dbraw/zinc/46/96/41/801469641.db2.gz HAPFKNHJXJCKMO-CABCVRRESA-N 2 0 293.411 0.263 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198263 801589288 /nfs/dbraw/zinc/58/92/88/801589288.db2.gz DIRCJBTWUHTHAF-SOUVJXGZSA-N 2 0 284.363 0.391 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001158208067 801596043 /nfs/dbraw/zinc/59/60/43/801596043.db2.gz JZXHTROTRYIGNT-QLFBSQMISA-N 2 0 284.363 0.911 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[N@@H+]3CC[C@H]3C1)C[NH2+]CCC2 ZINC001158426276 801644552 /nfs/dbraw/zinc/64/45/52/801644552.db2.gz WNFAZRNZCZGLDP-ZDUSSCGKSA-N 2 0 283.379 0.883 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158435182 801648467 /nfs/dbraw/zinc/64/84/67/801648467.db2.gz VKEUGXXWXBCKGB-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159902306 801886622 /nfs/dbraw/zinc/88/66/22/801886622.db2.gz XSTMHGARRZUYHB-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159933034 801893145 /nfs/dbraw/zinc/89/31/45/801893145.db2.gz YGJPEXGSDSZKOR-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160629020 801983124 /nfs/dbraw/zinc/98/31/24/801983124.db2.gz ODAMMWZOZIPAND-HNNXBMFYSA-N 3 0 282.432 0.069 20 30 CCEDRP C#CC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160913376 802046246 /nfs/dbraw/zinc/04/62/46/802046246.db2.gz XGNRVMCOEJLCHQ-CQSZACIVSA-N 2 0 275.396 0.732 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C#N ZINC001161144340 802101322 /nfs/dbraw/zinc/10/13/22/802101322.db2.gz JYSGRMIVPOSEPC-RYUDHWBXSA-N 2 0 254.378 0.852 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626952 802926995 /nfs/dbraw/zinc/92/69/95/802926995.db2.gz MZMJLQRRPJKDDG-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166690414 802938365 /nfs/dbraw/zinc/93/83/65/802938365.db2.gz ABSSRTMERNRSKF-CHWSQXEVSA-N 2 0 251.374 0.303 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166930486 802981577 /nfs/dbraw/zinc/98/15/77/802981577.db2.gz GHKUGRRZLJKLMX-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001276448696 803072258 /nfs/dbraw/zinc/07/22/58/803072258.db2.gz YZNNFHBHUGPFGO-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207683771 803437778 /nfs/dbraw/zinc/43/77/78/803437778.db2.gz HMVNIZFYCYMJDZ-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448267 803514746 /nfs/dbraw/zinc/51/47/46/803514746.db2.gz ZBHDCOSAMDQQGC-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001208698538 803538113 /nfs/dbraw/zinc/53/81/13/803538113.db2.gz BYRMEDLGKNBDHM-KFWWJZLASA-N 2 0 295.427 0.413 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634612 803618602 /nfs/dbraw/zinc/61/86/02/803618602.db2.gz GZTAMESFRYGHHU-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082576 803667266 /nfs/dbraw/zinc/66/72/66/803667266.db2.gz UEXCLGCNRKPQJY-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453774 803809564 /nfs/dbraw/zinc/80/95/64/803809564.db2.gz QUEXRRBXDNIYIA-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#Cc1cc(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)ccn1 ZINC001218520848 803984192 /nfs/dbraw/zinc/98/41/92/803984192.db2.gz SWOWTIZMNAINJP-ZDUSSCGKSA-N 2 0 260.341 0.140 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218625320 804042478 /nfs/dbraw/zinc/04/24/78/804042478.db2.gz XKMRJFMXRAXGJX-LLVKDONJSA-N 2 0 264.354 0.885 20 30 CCEDRP N#Cc1cccc2[nH]nc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c21 ZINC001218656106 804066879 /nfs/dbraw/zinc/06/68/79/804066879.db2.gz CJLDFODLHGJLNQ-JTQLQIEISA-N 2 0 286.339 0.829 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218658725 804069463 /nfs/dbraw/zinc/06/94/63/804069463.db2.gz IBWHJFYHYPDRKI-CYBMUJFWSA-N 2 0 273.340 0.527 20 30 CCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218918280 804158526 /nfs/dbraw/zinc/15/85/26/804158526.db2.gz DYSICEBBPLTSKA-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP N#Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccc1O ZINC001218954533 804165185 /nfs/dbraw/zinc/16/51/85/804165185.db2.gz OZKYCHFEWQDAAS-NSHDSACASA-N 2 0 272.308 0.011 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C#N)c1 ZINC001219393333 804296784 /nfs/dbraw/zinc/29/67/84/804296784.db2.gz KEMNJYASEKCMAA-LBPRGKRZSA-N 2 0 281.319 0.177 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219609865 804374065 /nfs/dbraw/zinc/37/40/65/804374065.db2.gz GNVYVRKNOLYXMS-QWRGUYRKSA-N 2 0 277.290 0.705 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219848119 804432387 /nfs/dbraw/zinc/43/23/87/804432387.db2.gz GMQPOUQYIVLCCV-RDBSUJKOSA-N 2 0 283.416 0.310 20 30 CCEDRP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276867 804558043 /nfs/dbraw/zinc/55/80/43/804558043.db2.gz LVCSSUNOETWGRP-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1F ZINC001220449196 804607562 /nfs/dbraw/zinc/60/75/62/804607562.db2.gz OGZBTWZAJHUGAS-GFCCVEGCSA-N 2 0 288.326 0.123 20 30 CCEDRP N#Cc1ccccc1OCCCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220685224 804650634 /nfs/dbraw/zinc/65/06/34/804650634.db2.gz SIIPJNKGPYLACQ-ZDUSSCGKSA-N 2 0 290.367 0.510 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC001220868669 804683023 /nfs/dbraw/zinc/68/30/23/804683023.db2.gz OEMKHXVLIOZMNB-STQMWFEESA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976435 804713146 /nfs/dbraw/zinc/71/31/46/804713146.db2.gz ZGVVSYQLJRFDKT-MCIONIFRSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093440 804730717 /nfs/dbraw/zinc/73/07/17/804730717.db2.gz NAJTZVADJWFSBY-ZNMIVQPWSA-N 2 0 297.443 0.843 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001276956539 805015307 /nfs/dbraw/zinc/01/53/07/805015307.db2.gz NRLAFYDMJMJYEP-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226554353 805245825 /nfs/dbraw/zinc/24/58/25/805245825.db2.gz KRQSJVYVIAOKJC-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCO)CC1 ZINC001277362810 805510561 /nfs/dbraw/zinc/51/05/61/805510561.db2.gz NAUHSRKLEFWITN-AWEZNQCLSA-N 2 0 295.427 0.198 20 30 CCEDRP C=C[C@](C)(O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245988821 807108211 /nfs/dbraw/zinc/10/82/11/807108211.db2.gz WWACKAHIWGPGPE-OLZOCXBDSA-N 2 0 253.390 0.387 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])NC[C@]2(O)CCC[NH2+]C2)cc1 ZINC001245999686 807111409 /nfs/dbraw/zinc/11/14/09/807111409.db2.gz JMAXKFIPIAQRBT-HNNXBMFYSA-N 2 0 291.351 0.293 20 30 CCEDRP N#Cc1cncc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246345627 807228214 /nfs/dbraw/zinc/22/82/14/807228214.db2.gz BEDOZZSOXAJIDG-CYBMUJFWSA-N 2 0 257.341 0.137 20 30 CCEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583211 807305517 /nfs/dbraw/zinc/30/55/17/807305517.db2.gz ISBXIBRVYKYZHW-UGFHNGPFSA-N 2 0 259.353 0.741 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252470060 807879199 /nfs/dbraw/zinc/87/91/99/807879199.db2.gz HBPTZVDRVVLLOF-CYBMUJFWSA-N 2 0 254.374 0.578 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252483295 807888490 /nfs/dbraw/zinc/88/84/90/807888490.db2.gz SEIJKBAZKUVVOK-KBPBESRZSA-N 2 0 256.390 0.871 20 30 CCEDRP C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252621565 807922066 /nfs/dbraw/zinc/92/20/66/807922066.db2.gz FAXKDFRQCMBJBJ-KKUMJFAQSA-N 2 0 297.443 0.892 20 30 CCEDRP C=C[C@@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001253577202 808085218 /nfs/dbraw/zinc/08/52/18/808085218.db2.gz KKNQWCUOPBPLBX-OAHLLOKOSA-N 2 0 290.411 0.884 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278828742 808300957 /nfs/dbraw/zinc/30/09/57/808300957.db2.gz PSONUVJOXFZTSI-INIZCTEOSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278865496 808357337 /nfs/dbraw/zinc/35/73/37/808357337.db2.gz ZMNPNZIHGVVMSU-LSDHHAIUSA-N 2 0 297.443 0.798 20 30 CCEDRP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256685153 808549702 /nfs/dbraw/zinc/54/97/02/808549702.db2.gz YOXIKNRPURUDPK-ABXWRUBCSA-N 2 0 297.399 0.456 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@H]1[NH3+] ZINC001261552489 809018192 /nfs/dbraw/zinc/01/81/92/809018192.db2.gz UAKOSSSSQKPAJY-IJLUTSLNSA-N 2 0 252.362 0.593 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001263849578 809587936 /nfs/dbraw/zinc/58/79/36/809587936.db2.gz OIRQGUSNSUPXEN-XQQFMLRXSA-N 2 0 253.390 0.997 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263926454 809608129 /nfs/dbraw/zinc/60/81/29/809608129.db2.gz QWQDFGIHQBYFFZ-SOUVJXGZSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001263926045 809608335 /nfs/dbraw/zinc/60/83/35/809608335.db2.gz CFENLGFCJCLUHE-LSDHHAIUSA-N 2 0 289.423 0.980 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264165239 809636004 /nfs/dbraw/zinc/63/60/04/809636004.db2.gz DHYUHRRKFOZGJY-HIFRSBDPSA-N 2 0 295.427 0.862 20 30 CCEDRP COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265021158 809694358 /nfs/dbraw/zinc/69/43/58/809694358.db2.gz GRHRUYTYAVBJAF-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567803 815312368 /nfs/dbraw/zinc/31/23/68/815312368.db2.gz JEDCDITZNYPMRA-SOUVJXGZSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001265942194 809900452 /nfs/dbraw/zinc/90/04/52/809900452.db2.gz YRDFMSXBBWYTKG-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001279415950 809977455 /nfs/dbraw/zinc/97/74/55/809977455.db2.gz NXNCWYGEQFEZMN-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267734510 811703181 /nfs/dbraw/zinc/70/31/81/811703181.db2.gz LPZPXIYAEUFHCE-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221292520 811765497 /nfs/dbraw/zinc/76/54/97/811765497.db2.gz NRWNUUIAOUXCEW-OCCSQVGLSA-N 2 0 266.389 0.758 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CCN1CCOCC1 ZINC001267822895 811818301 /nfs/dbraw/zinc/81/83/01/811818301.db2.gz XGBDWILJNGTDHQ-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268054922 812146537 /nfs/dbraw/zinc/14/65/37/812146537.db2.gz MUXUCCJGIRTWBG-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP N#Cc1nc(NC(=[NH2+])NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC001167879917 812386955 /nfs/dbraw/zinc/38/69/55/812386955.db2.gz SRAFMHNGIGEDCF-UHFFFAOYSA-N 2 0 277.288 0.537 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001279308080 812449321 /nfs/dbraw/zinc/44/93/21/812449321.db2.gz QSUXBBAAPPJDCM-NFOMZHRRSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268645723 812974458 /nfs/dbraw/zinc/97/44/58/812974458.db2.gz TZZRVKJNEMGFQF-CYBMUJFWSA-N 2 0 291.399 0.176 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268706483 813024994 /nfs/dbraw/zinc/02/49/94/813024994.db2.gz JSUWVUDABJMPQP-KBPBESRZSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268736691 813051385 /nfs/dbraw/zinc/05/13/85/813051385.db2.gz SJSISXUUDPEEIB-CQSZACIVSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269192252 813258790 /nfs/dbraw/zinc/25/87/90/813258790.db2.gz PYYWSIOMLVUBRQ-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001269511420 813398362 /nfs/dbraw/zinc/39/83/62/813398362.db2.gz YAUXZXMABKAAOI-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCN2CCOCC2)C1 ZINC001270640444 813867797 /nfs/dbraw/zinc/86/77/97/813867797.db2.gz BGBXOFXMMYECTK-INIZCTEOSA-N 2 0 295.427 0.865 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038912 816221437 /nfs/dbraw/zinc/22/14/37/816221437.db2.gz PNPAQLJLVUCXSO-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001272488528 816490701 /nfs/dbraw/zinc/49/07/01/816490701.db2.gz NNSPENZZTVNQTC-CQSZACIVSA-N 2 0 295.427 0.198 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC3CCC3)C2)CC1 ZINC001031435426 817054518 /nfs/dbraw/zinc/05/45/18/817054518.db2.gz ZOICHGYTRWMZQM-UHFFFAOYSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947200 817484235 /nfs/dbraw/zinc/48/42/35/817484235.db2.gz BVSDECLRMPNWGE-UHFFFAOYSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125221412 817732210 /nfs/dbraw/zinc/73/22/10/817732210.db2.gz QDBWUQHBRQUJLX-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272985996 818246466 /nfs/dbraw/zinc/24/64/66/818246466.db2.gz PDQCCYODBBSXHR-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875706 818971859 /nfs/dbraw/zinc/97/18/59/818971859.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 0 293.411 0.262 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001034491491 819215834 /nfs/dbraw/zinc/21/58/34/819215834.db2.gz VLPSEUYEAOZIIP-CYBMUJFWSA-N 2 0 274.368 0.567 20 30 CCEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524517 819229077 /nfs/dbraw/zinc/22/90/77/819229077.db2.gz HCMJWFRTHMJSBG-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034611166 819261347 /nfs/dbraw/zinc/26/13/47/819261347.db2.gz IMRWULBNIMVKIW-IHRRRGAJSA-N 2 0 263.385 0.731 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(N(CC[NH3+])CCO)cc1C#N ZINC001163836127 820381426 /nfs/dbraw/zinc/38/14/26/820381426.db2.gz NJPSRKVNTBGDGH-GZTJUZNOSA-N 2 0 275.356 0.537 20 30 CCEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080449806 820573645 /nfs/dbraw/zinc/57/36/45/820573645.db2.gz ZWFPYRJJDXUUNJ-RRFJBIMHSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080782775 820629727 /nfs/dbraw/zinc/62/97/27/820629727.db2.gz AMUYQDYKROYBSK-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135054 820906178 /nfs/dbraw/zinc/90/61/78/820906178.db2.gz NBZQBILVXCAIFS-RRFJBIMHSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001082747202 821025313 /nfs/dbraw/zinc/02/53/13/821025313.db2.gz DOMGENBKRDDLGA-UPJWGTAASA-N 2 0 251.374 0.396 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662387 821341671 /nfs/dbraw/zinc/34/16/71/821341671.db2.gz HYVKJAQQVHGBIL-BZUAXINKSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084903739 821425843 /nfs/dbraw/zinc/42/58/43/821425843.db2.gz ORQCMNSLRGWZPS-ILXRZTDVSA-N 2 0 275.396 0.637 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261992 821488918 /nfs/dbraw/zinc/48/89/18/821488918.db2.gz ZYLOTJAFUCGGPA-CABCVRRESA-N 2 0 293.411 0.331 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093100 821492714 /nfs/dbraw/zinc/49/27/14/821492714.db2.gz GLKONVPOONVQIY-PMPSAXMXSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001085393784 821678196 /nfs/dbraw/zinc/67/81/96/821678196.db2.gz KLXGENREHMQUKA-RRFJBIMHSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001273358951 821925586 /nfs/dbraw/zinc/92/55/86/821925586.db2.gz PFMIGCGWNNPHEH-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085557 822106495 /nfs/dbraw/zinc/10/64/95/822106495.db2.gz JHOHKKUZDBVSBE-CAOSSQGBSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086278427 822185598 /nfs/dbraw/zinc/18/55/98/822185598.db2.gz WFTFCUUUMHOOQF-QLFBSQMISA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083081 822254549 /nfs/dbraw/zinc/25/45/49/822254549.db2.gz MVBCNNONSXBRSF-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129443375 837511213 /nfs/dbraw/zinc/51/12/13/837511213.db2.gz JKHQMMIHBZZYAI-CYBMUJFWSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192489 837719045 /nfs/dbraw/zinc/71/90/45/837719045.db2.gz NRPDMERPLFQCSB-CHWSQXEVSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183435368 844020467 /nfs/dbraw/zinc/02/04/67/844020467.db2.gz AHOBOZNONWSBAN-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183772435 844085094 /nfs/dbraw/zinc/08/50/94/844085094.db2.gz HSAXANJJGSIOIC-GFCCVEGCSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467613 837153628 /nfs/dbraw/zinc/15/36/28/837153628.db2.gz LNWPNGBFDWWWQO-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C=CCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273487897 844259881 /nfs/dbraw/zinc/25/98/81/844259881.db2.gz UUEBSRHIJUSVEC-INIZCTEOSA-N 2 0 295.427 0.818 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874861 837944828 /nfs/dbraw/zinc/94/48/28/837944828.db2.gz QWCPKDSQUPXAKD-UHFFFAOYSA-N 2 0 256.309 0.677 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277408 838352446 /nfs/dbraw/zinc/35/24/46/838352446.db2.gz GWGCPNCBPWRAHP-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132736902 838481114 /nfs/dbraw/zinc/48/11/14/838481114.db2.gz FPOZQAQTYRTFJD-AWEZNQCLSA-N 2 0 265.401 0.838 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848711 838506687 /nfs/dbraw/zinc/50/66/87/838506687.db2.gz PMBZHDCTXZOGGU-CYBMUJFWSA-N 2 0 269.389 0.378 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133294386 838590555 /nfs/dbraw/zinc/59/05/55/838590555.db2.gz GVACHKZKOZWBSS-UHFFFAOYSA-N 2 0 292.358 0.855 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001185379111 844405247 /nfs/dbraw/zinc/40/52/47/844405247.db2.gz AEEQYGNHKMVCBQ-CHWSQXEVSA-N 2 0 274.368 0.660 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102866 839162395 /nfs/dbraw/zinc/16/23/95/839162395.db2.gz PMILORVGOXYNRL-LSDHHAIUSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185491777 844425032 /nfs/dbraw/zinc/42/50/32/844425032.db2.gz JMQDEQLWIKCYGG-LSDHHAIUSA-N 2 0 295.427 0.272 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923128 839471948 /nfs/dbraw/zinc/47/19/48/839471948.db2.gz HMQADOGFMZTIDO-ZIAGYGMSSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135975697 839489333 /nfs/dbraw/zinc/48/93/33/839489333.db2.gz ASYSGAFYZSALGG-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C/C(=N\C#N)N(C)Cc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1 ZINC001170896854 839541086 /nfs/dbraw/zinc/54/10/86/839541086.db2.gz APKFRBDQEGNHPC-MDBUFAAASA-N 2 0 289.387 0.848 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090763420 839785288 /nfs/dbraw/zinc/78/52/88/839785288.db2.gz HYXLMIPSEWAVFT-TZMCWYRMSA-N 2 0 292.383 0.388 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825069 840691779 /nfs/dbraw/zinc/69/17/79/840691779.db2.gz NVNXIOYJNXUSLU-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826457 840693527 /nfs/dbraw/zinc/69/35/27/840693527.db2.gz VVPKEIKJGKAHAF-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216332 840765086 /nfs/dbraw/zinc/76/50/86/840765086.db2.gz NKMJXPTXDIWRSN-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186621838 844576701 /nfs/dbraw/zinc/57/67/01/844576701.db2.gz BQORLOPJTCVQLE-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578133 840848151 /nfs/dbraw/zinc/84/81/51/840848151.db2.gz OJMRMBKVZWBOSM-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272574 841002999 /nfs/dbraw/zinc/00/29/99/841002999.db2.gz GGSUDSHOYRRBDH-FMKPAKJESA-N 2 0 277.412 0.904 20 30 CCEDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302711 841915186 /nfs/dbraw/zinc/91/51/86/841915186.db2.gz PGGZNBDTKUTKGV-RISCZKNCSA-N 2 0 275.352 0.827 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176169851 842333108 /nfs/dbraw/zinc/33/31/08/842333108.db2.gz OGHLEWSSDZKCHR-ZDUSSCGKSA-N 2 0 269.389 0.237 20 30 CCEDRP C=CCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179935402 843084507 /nfs/dbraw/zinc/08/45/07/843084507.db2.gz DXMZKJUZNGNSIQ-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151049662 843551186 /nfs/dbraw/zinc/55/11/86/843551186.db2.gz VQJGFMUSMDOAEE-OAHLLOKOSA-N 2 0 286.379 0.716 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001183076056 843959173 /nfs/dbraw/zinc/95/91/73/843959173.db2.gz OSNOHFSPNBYSLX-AWEZNQCLSA-N 2 0 293.411 0.570 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106269 844645219 /nfs/dbraw/zinc/64/52/19/844645219.db2.gz DDEOSCZHTOTHMQ-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+](C)CCCN(C)C(=O)CC[N@@H+](C)CC ZINC001273578090 845097961 /nfs/dbraw/zinc/09/79/61/845097961.db2.gz LHQWKDZHMBUMLZ-UHFFFAOYSA-N 2 0 253.390 0.742 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189879328 845248927 /nfs/dbraw/zinc/24/89/27/845248927.db2.gz AISPIFCKMNHYKK-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192399152 845846357 /nfs/dbraw/zinc/84/63/57/845846357.db2.gz VOUTZQQVCGGTCQ-KBPBESRZSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194154691 846223956 /nfs/dbraw/zinc/22/39/56/846223956.db2.gz MRLPKLLLUNPGCN-HUUCEWRRSA-N 2 0 293.411 0.263 20 30 CCEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155808 846225532 /nfs/dbraw/zinc/22/55/32/846225532.db2.gz VXMRUSFKOJSBOK-LSDHHAIUSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794823 846303063 /nfs/dbraw/zinc/30/30/63/846303063.db2.gz ZCMQHHBVQMOFBR-UONOGXRCSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252473982 847979530 /nfs/dbraw/zinc/97/95/30/847979530.db2.gz UKVPGAXBNUPNGI-QLFBSQMISA-N 2 0 268.401 0.824 20 30 CCEDRP C=C[C@](C)(O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001252541675 847998035 /nfs/dbraw/zinc/99/80/35/847998035.db2.gz QXDDJIJLHUZIAH-HNNXBMFYSA-N 2 0 269.433 0.883 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001252589171 848027174 /nfs/dbraw/zinc/02/71/74/848027174.db2.gz KKSCKAKDJJRLHP-AWEZNQCLSA-N 2 0 255.406 0.493 20 30 CCEDRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCC#N ZINC001274039681 848315118 /nfs/dbraw/zinc/31/51/18/848315118.db2.gz JXYZXHRHUKGZFI-ZIAGYGMSSA-N 2 0 278.400 0.917 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274785909 848566710 /nfs/dbraw/zinc/56/67/10/848566710.db2.gz GLSGTVKSZKYDIF-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001274835093 848575791 /nfs/dbraw/zinc/57/57/91/848575791.db2.gz BNCJLXZDPGIZSA-KGLIPLIRSA-N 2 0 283.416 0.625 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275411861 848714927 /nfs/dbraw/zinc/71/49/27/848714927.db2.gz DKKYCPJELJQMLZ-STQMWFEESA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCO)CC1 ZINC001276011479 848889526 /nfs/dbraw/zinc/88/95/26/848889526.db2.gz MKDHYRDHELLHPW-CQSZACIVSA-N 2 0 295.427 0.151 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001276209260 848962664 /nfs/dbraw/zinc/96/26/64/848962664.db2.gz SGSFTVYCBWYTMV-UHFFFAOYSA-N 2 0 269.389 0.026 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110992359 849038460 /nfs/dbraw/zinc/03/84/60/849038460.db2.gz ZUCOMXSCMIJLLR-APIJFGDWSA-N 2 0 277.412 0.927 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114798257 849396583 /nfs/dbraw/zinc/39/65/83/849396583.db2.gz AIWUFHPPBOQHOX-ZOBORPQBSA-N 2 0 263.385 0.252 20 30 CCEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038628588 849723286 /nfs/dbraw/zinc/72/32/86/849723286.db2.gz RMRPPWZZZOODCI-CABCVRRESA-N 2 0 295.427 0.862 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039026420 850127809 /nfs/dbraw/zinc/12/78/09/850127809.db2.gz GCIQIYPSDCXNMW-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CC2)CC1 ZINC001039042011 850135688 /nfs/dbraw/zinc/13/56/88/850135688.db2.gz LCJYXLCONKBEGK-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832423 850510734 /nfs/dbraw/zinc/51/07/34/850510734.db2.gz YHEFALGQGPCYSD-DOTOQJQBSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046830832 851626543 /nfs/dbraw/zinc/62/65/43/851626543.db2.gz BSIVAXGHPKDTII-ZFWWWQNUSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047529040 851804402 /nfs/dbraw/zinc/80/44/02/851804402.db2.gz NTEQKKSQWGDERD-KKUMJFAQSA-N 2 0 295.427 0.550 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047627924 851837312 /nfs/dbraw/zinc/83/73/12/851837312.db2.gz ABVFWYRBHIHYER-ILXRZTDVSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049064534 852153473 /nfs/dbraw/zinc/15/34/73/852153473.db2.gz HKNSEXZCPAFOKA-MJBXVCDLSA-N 2 0 263.385 0.350 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392250 852256227 /nfs/dbraw/zinc/25/62/27/852256227.db2.gz WTQTUDDJEZITMR-KFWWJZLASA-N 2 0 291.395 0.016 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050505 853303313 /nfs/dbraw/zinc/30/33/13/853303313.db2.gz DBVPXGSNZNQOLR-QKPAOTATSA-N 2 0 289.423 0.883 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050202728 853335305 /nfs/dbraw/zinc/33/53/05/853335305.db2.gz RSSYKEWDSVUWIY-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050203243 853336056 /nfs/dbraw/zinc/33/60/56/853336056.db2.gz ZAJUCDRYOOBILE-RRFJBIMHSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001072916796 854494773 /nfs/dbraw/zinc/49/47/73/854494773.db2.gz VJFSYQWECACUBE-GJZGRUSLSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074561552 854748114 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CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873012 855232803 /nfs/dbraw/zinc/23/28/03/855232803.db2.gz RHGRRZSRKWAZHC-HSBZDZAISA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001100922542 855239113 /nfs/dbraw/zinc/23/91/13/855239113.db2.gz JUCYHERNWDXNBM-DQPZFDDXSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366972 855431491 /nfs/dbraw/zinc/43/14/91/855431491.db2.gz WWYWMSURARGJMZ-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241063 855653640 /nfs/dbraw/zinc/65/36/40/855653640.db2.gz BDRYAMKZHJKPFH-BYNSBNAKSA-N 2 0 277.412 0.951 20 30 CCEDRP C[C@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC001120489084 857089475 /nfs/dbraw/zinc/08/94/75/857089475.db2.gz OOMCVGSAPSTHHM-KGLIPLIRSA-N 2 0 283.416 0.988 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325435230 913405730 /nfs/dbraw/zinc/40/57/30/913405730.db2.gz DEODUUBYTLDPDZ-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325865138 913614550 /nfs/dbraw/zinc/61/45/50/913614550.db2.gz MAIWPLBWLNZUBP-HOCLYGCPSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC=C)CC1 ZINC001481018803 892064782 /nfs/dbraw/zinc/06/47/82/892064782.db2.gz HKSGQMSQCVAKKB-UHFFFAOYSA-N 2 0 277.412 0.956 20 30 CCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)CCCn1ccnc1C ZINC001481679855 892996468 /nfs/dbraw/zinc/99/64/68/892996468.db2.gz NWEWGFUHWYMIPQ-GJZGRUSLSA-N 2 0 286.379 0.890 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001500358561 893785990 /nfs/dbraw/zinc/78/59/90/893785990.db2.gz UKWGZVSTYBDMNA-ZBFHGGJFSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482321030 893852399 /nfs/dbraw/zinc/85/23/99/893852399.db2.gz YNSIDZCIMZOGDU-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001326293605 913872164 /nfs/dbraw/zinc/87/21/64/913872164.db2.gz UNGPNXOFZJBIPK-LBPRGKRZSA-N 2 0 273.340 0.687 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482737394 894554687 /nfs/dbraw/zinc/55/46/87/894554687.db2.gz LTKINIRPKMRWMT-CABCVRRESA-N 2 0 293.411 0.093 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCC[NH2+]C1 ZINC001326312503 913884671 /nfs/dbraw/zinc/88/46/71/913884671.db2.gz BBRXBWDDKUSQST-SDDRHHMPSA-N 2 0 252.362 0.512 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950495 894729167 /nfs/dbraw/zinc/72/91/67/894729167.db2.gz UFRZJBDLUAMJIR-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483602473 895674559 /nfs/dbraw/zinc/67/45/59/895674559.db2.gz UMEWFZNGBUNLIK-ZDUSSCGKSA-N 2 0 263.385 0.753 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001483959385 896132897 /nfs/dbraw/zinc/13/28/97/896132897.db2.gz SGEGSVHHIATSBP-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484521433 896459477 /nfs/dbraw/zinc/45/94/77/896459477.db2.gz RLVJDWZDICTKCK-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484842539 896620561 /nfs/dbraw/zinc/62/05/61/896620561.db2.gz UVVCILIKOPYMCZ-MRXNPFEDSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484962906 896680994 /nfs/dbraw/zinc/68/09/94/896680994.db2.gz GETHYACNKQYMPK-CQSZACIVSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485303019 896944375 /nfs/dbraw/zinc/94/43/75/896944375.db2.gz OYGKDEDVULPBGJ-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001485705769 897186741 /nfs/dbraw/zinc/18/67/41/897186741.db2.gz XWIACRUXBTYMGG-BIQWYFBQSA-N 2 0 277.412 0.977 20 30 CCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001485774531 897240119 /nfs/dbraw/zinc/24/01/19/897240119.db2.gz UGVQLJHHHLQZRJ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213039 897895930 /nfs/dbraw/zinc/89/59/30/897895930.db2.gz IWCSICGRJASLDA-KFWWJZLASA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001485838641 898364261 /nfs/dbraw/zinc/36/42/61/898364261.db2.gz VRIJRBKOSBZQQU-HUUCEWRRSA-N 2 0 293.411 0.167 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001486093913 898650376 /nfs/dbraw/zinc/65/03/76/898650376.db2.gz RWQZFCLVALNRMG-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP COC1CC[NH+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001327182766 914407322 /nfs/dbraw/zinc/40/73/22/914407322.db2.gz ZZOXUNYBHFGBRJ-ZDUSSCGKSA-N 2 0 282.388 0.235 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001490729450 900707969 /nfs/dbraw/zinc/70/79/69/900707969.db2.gz TWIDPDVEOLFBBD-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490702063 900710169 /nfs/dbraw/zinc/71/01/69/900710169.db2.gz XGGWMDHMSQJLBB-HNNXBMFYSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[N@@H+](C)CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001319999841 900913774 /nfs/dbraw/zinc/91/37/74/900913774.db2.gz SLGJSVIHRBPXNY-UHFFFAOYSA-N 2 0 293.415 0.635 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001327604493 914651150 /nfs/dbraw/zinc/65/11/50/914651150.db2.gz WEMBGFTYWNXSAR-UKRRQHHQSA-N 2 0 283.416 0.456 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001327663848 914689869 /nfs/dbraw/zinc/68/98/69/914689869.db2.gz WLSSAKPSNOUWNM-TUAOUCFPSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001282045696 904396206 /nfs/dbraw/zinc/39/62/06/904396206.db2.gz LAFSWLRYVYGDMU-LQULJDIASA-N 2 0 277.412 0.834 20 30 CCEDRP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001283755905 904996418 /nfs/dbraw/zinc/99/64/18/904996418.db2.gz KOYCMUFGQYLFAS-HUUCEWRRSA-N 2 0 297.443 0.892 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001283764980 905000860 /nfs/dbraw/zinc/00/08/60/905000860.db2.gz OVEKWEAPRHUYQX-LBPRGKRZSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001284479721 905315551 /nfs/dbraw/zinc/31/55/51/905315551.db2.gz ZMHUYRAFPUNFMU-HUUCEWRRSA-N 2 0 295.427 0.293 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001333370326 905994279 /nfs/dbraw/zinc/99/42/79/905994279.db2.gz HTRNHTUKHDFNEI-UTLUCORTSA-N 2 0 292.305 0.603 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491812111 907614462 /nfs/dbraw/zinc/61/44/62/907614462.db2.gz ISSHXXGNIJGGIS-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316828903 908790585 /nfs/dbraw/zinc/79/05/85/908790585.db2.gz AHBGXBMCIATNIF-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317305725 909131314 /nfs/dbraw/zinc/13/13/14/909131314.db2.gz JYUZNLCQUSSBPP-HNNXBMFYSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001317801454 909504865 /nfs/dbraw/zinc/50/48/65/909504865.db2.gz PGSQRQKFGKRUAH-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319268732 910065357 /nfs/dbraw/zinc/06/53/57/910065357.db2.gz FBZUQUYINBSOMI-HUUCEWRRSA-N 2 0 295.427 0.320 20 30 CCEDRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#CCOC)C(C)C)[NH+](C)C ZINC001319942968 910362475 /nfs/dbraw/zinc/36/24/75/910362475.db2.gz GGKJJYGGNLYWRD-CABCVRRESA-N 2 0 297.443 0.707 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001320638427 910771637 /nfs/dbraw/zinc/77/16/37/910771637.db2.gz DKUIYIPFRCCXQH-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321418918 911293359 /nfs/dbraw/zinc/29/33/59/911293359.db2.gz LZMGUEPLNAXDEX-LMVHVUTASA-N 2 0 263.385 0.756 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330423524 916623121 /nfs/dbraw/zinc/62/31/21/916623121.db2.gz HGCGSXXKVOCSLO-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001330423533 916623599 /nfs/dbraw/zinc/62/35/99/916623599.db2.gz AJWODESCIWCYOW-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP CC1(C)[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]2CCC[NH2+][C@H]21 ZINC001330911638 916965368 /nfs/dbraw/zinc/96/53/68/916965368.db2.gz UNKPGVQVNTVLTK-FVQBIDKESA-N 2 0 289.423 0.882 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001331610254 917450556 /nfs/dbraw/zinc/45/05/56/917450556.db2.gz BAWGSMYHIIFFMU-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403085038 917464261 /nfs/dbraw/zinc/46/42/61/917464261.db2.gz NFNLDMGVHVRDCQ-LLVKDONJSA-N 2 0 271.792 0.929 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331740999 917567118 /nfs/dbraw/zinc/56/71/18/917567118.db2.gz SHWFJANJBMASAW-CYBMUJFWSA-N 2 0 297.443 0.892 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001331916193 917711469 /nfs/dbraw/zinc/71/14/69/917711469.db2.gz DVQJBXOPDBFRGX-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332550248 918268397 /nfs/dbraw/zinc/26/83/97/918268397.db2.gz GFEOIOCTXBQMRR-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001332634498 918331455 /nfs/dbraw/zinc/33/14/55/918331455.db2.gz XGYGQIMGFCLHDL-CABCVRRESA-N 2 0 297.443 0.798 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001333153202 918690188 /nfs/dbraw/zinc/69/01/88/918690188.db2.gz KIDXWWUIXFIURB-UHFFFAOYSA-N 2 0 265.401 0.929 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333292090 918781427 /nfs/dbraw/zinc/78/14/27/918781427.db2.gz LUKGCNHSTKIGQI-ZFWWWQNUSA-N 2 0 278.400 1.000 20 30 CCEDRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC001342112469 922807653 /nfs/dbraw/zinc/80/76/53/922807653.db2.gz RIEJJHOYNNAVKQ-GHMZBOCLSA-N 2 0 252.362 0.512 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001343012940 923166217 /nfs/dbraw/zinc/16/62/17/923166217.db2.gz PDZNVXGXYRLNCO-GVXVVHGQSA-N 2 0 250.346 0.347 20 30 CCEDRP C#CC[NH+]1CCC(OC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001344941959 923740132 /nfs/dbraw/zinc/74/01/32/923740132.db2.gz FCWYAYDJFMQYFS-UHFFFAOYSA-N 2 0 294.395 0.738 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C[N@H+](C)CCN1C ZINC001346229652 924121350 /nfs/dbraw/zinc/12/13/50/924121350.db2.gz VPJQHWIGFDVNNK-IHRRRGAJSA-N 2 0 295.431 0.148 20 30 CCEDRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001348860965 924831052 /nfs/dbraw/zinc/83/10/52/924831052.db2.gz SHMKVDZWPGSGAI-JHJVBQTASA-N 2 0 266.389 0.806 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001426054464 928741089 /nfs/dbraw/zinc/74/10/89/928741089.db2.gz OUPVWXJOCWIHFP-GFCCVEGCSA-N 2 0 291.823 0.488 20 30 CCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])CCCCC#N)C2 ZINC000601969938 362442429 /nfs/dbraw/zinc/44/24/29/362442429.db2.gz MTHLMEKYCNRSBH-YUELXQCFSA-N 2 0 278.400 0.856 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190981743 351742321 /nfs/dbraw/zinc/74/23/21/351742321.db2.gz NKYXTENFXDCMCE-CYBMUJFWSA-N 2 0 275.400 0.622 20 30 CCEDRP C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+]1CCCC1 ZINC000591729136 359648598 /nfs/dbraw/zinc/64/85/98/359648598.db2.gz PRDQIBOCUBGEHN-GJZGRUSLSA-N 2 0 282.432 0.514 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000594439965 360308891 /nfs/dbraw/zinc/30/88/91/360308891.db2.gz WTEDYKXPJVJSPM-OLZOCXBDSA-N 2 0 264.373 0.751 20 30 CCEDRP COC[C@@]1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCC[NH2+]1 ZINC000594443696 360311196 /nfs/dbraw/zinc/31/11/96/360311196.db2.gz HVHPOVHRMKNDBP-OCCSQVGLSA-N 2 0 282.388 0.282 20 30 CCEDRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C ZINC000594442783 360311382 /nfs/dbraw/zinc/31/13/82/360311382.db2.gz VGJSMNBPGLBWPO-SDDRHHMPSA-N 2 0 252.362 0.606 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594442421 360311457 /nfs/dbraw/zinc/31/14/57/360311457.db2.gz FVFKBMWCBXWLFH-CYBMUJFWSA-N 2 0 266.389 0.950 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000594443895 360312040 /nfs/dbraw/zinc/31/20/40/360312040.db2.gz IITHIYGJNISJAU-CYBMUJFWSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCCC1 ZINC000594469570 360320879 /nfs/dbraw/zinc/32/08/79/360320879.db2.gz ZHAULMVKHDEMSW-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595944561 360722598 /nfs/dbraw/zinc/72/25/98/360722598.db2.gz NPDXJYIMMUMRSL-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000595999136 360771332 /nfs/dbraw/zinc/77/13/32/360771332.db2.gz LENPEYMRVREJAR-ZIAGYGMSSA-N 2 0 296.415 0.577 20 30 CCEDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598725714 361498228 /nfs/dbraw/zinc/49/82/28/361498228.db2.gz HXNHUMBRZNSRKE-OAHLLOKOSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CC[C@@]1(C(=O)N(C)CCOCC[NH3+])CCC[NH2+]1 ZINC000638671284 375274280 /nfs/dbraw/zinc/27/42/80/375274280.db2.gz XBUXBVJVIQLABI-ZDUSSCGKSA-N 2 0 255.362 0.118 20 30 CCEDRP C[C@H]1C[N@H+](CCOCCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339059099 389123246 /nfs/dbraw/zinc/12/32/46/389123246.db2.gz FRCAXUUIXOPQTJ-HOTGVXAUSA-N 2 0 294.443 0.874 20 30 CCEDRP CN(C)C(=[NH+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(C)C ZINC000360573287 389199885 /nfs/dbraw/zinc/19/98/85/389199885.db2.gz PZBLMYFIZKGIHH-VXGBXAGGSA-N 2 0 254.378 0.329 20 30 CCEDRP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000330713930 389252870 /nfs/dbraw/zinc/25/28/70/389252870.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 0 285.436 0.076 20 30 CCEDRP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261980031 389279898 /nfs/dbraw/zinc/27/98/98/389279898.db2.gz OQUWSLYFWOEKGF-IINYFYTJSA-N 2 0 290.415 0.866 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000267472246 389371252 /nfs/dbraw/zinc/37/12/52/389371252.db2.gz YCXKVYZHTBDHFG-WFASDCNBSA-N 2 0 294.399 0.876 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000417531522 389828228 /nfs/dbraw/zinc/82/82/28/389828228.db2.gz RMBRXUOXSMYHFB-ZDUSSCGKSA-N 2 0 266.389 0.688 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430920675 389835135 /nfs/dbraw/zinc/83/51/35/389835135.db2.gz PYWXDTSLKSKHPF-QWRGUYRKSA-N 2 0 282.388 0.446 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338399 389985495 /nfs/dbraw/zinc/98/54/95/389985495.db2.gz KVGHWIIJBSGZBJ-MJBXVCDLSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338396 389985663 /nfs/dbraw/zinc/98/56/63/389985663.db2.gz KVGHWIIJBSGZBJ-IHRRRGAJSA-N 2 0 265.401 0.999 20 30 CCEDRP C=C(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644647166 390275638 /nfs/dbraw/zinc/27/56/38/390275638.db2.gz DNSVKDJRZQDGDX-KRWDZBQOSA-N 2 0 289.423 0.898 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895344 390711633 /nfs/dbraw/zinc/71/16/33/390711633.db2.gz DKKKXUHCIHMAIT-CHWSQXEVSA-N 2 0 281.400 0.364 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662412809 414715887 /nfs/dbraw/zinc/71/58/87/414715887.db2.gz QWTRFYDPRJAHIN-JSGCOSHPSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662691404 414741836 /nfs/dbraw/zinc/74/18/36/414741836.db2.gz HYZZGZLGZAQNMW-OCCSQVGLSA-N 2 0 251.374 0.895 20 30 CCEDRP C[NH+](C)C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000113515029 228042786 /nfs/dbraw/zinc/04/27/86/228042786.db2.gz QMHZVHRLARYCDQ-DOMZBBRYSA-N 2 0 278.400 0.678 20 30 CCEDRP CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272883272 263009605 /nfs/dbraw/zinc/00/96/05/263009605.db2.gz HTYUDXLHKUVKBZ-CYBMUJFWSA-N 2 0 262.357 0.287 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368615500 267190971 /nfs/dbraw/zinc/19/09/71/267190971.db2.gz QIFQGWLYDVRNTB-XQQFMLRXSA-N 2 0 251.374 0.751 20 30 CCEDRP COCCNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267406178 328178494 /nfs/dbraw/zinc/17/84/94/328178494.db2.gz HDDTXUPBUSUNGT-UHFFFAOYSA-N 2 0 282.363 0.938 20 30 CCEDRP CC[C@@H](CC#N)N[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000584122266 327044954 /nfs/dbraw/zinc/04/49/54/327044954.db2.gz MHRTVGCGLUJYLZ-STQMWFEESA-N 2 0 266.389 0.821 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072961 327146575 /nfs/dbraw/zinc/14/65/75/327146575.db2.gz PECJGOAUQRMZPF-LBPRGKRZSA-N 2 0 269.389 0.507 20 30 CCEDRP CC[C@]1(C)CCN(C(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)C1 ZINC000261659165 329975123 /nfs/dbraw/zinc/97/51/23/329975123.db2.gz AWSQWPOJJHGWBQ-GDBMZVCRSA-N 2 0 293.459 0.684 20 30 CCEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCOCC1 ZINC000262882156 330036024 /nfs/dbraw/zinc/03/60/24/330036024.db2.gz WCFSIZRCIQRHPB-CYBMUJFWSA-N 2 0 266.389 0.650 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000424077392 330220982 /nfs/dbraw/zinc/22/09/82/330220982.db2.gz NZVBHIUIMCFIRP-QWHCGFSZSA-N 2 0 260.341 0.824 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000424134818 330268057 /nfs/dbraw/zinc/26/80/57/330268057.db2.gz NXNUKAYJURQVDT-YNEHKIRRSA-N 2 0 264.373 0.751 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143220 330286911 /nfs/dbraw/zinc/28/69/11/330286911.db2.gz FLWYWUOXOVDDLP-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424153583 330299958 /nfs/dbraw/zinc/29/99/58/330299958.db2.gz KIZQNOWIOJWMTC-QWHCGFSZSA-N 2 0 264.373 0.703 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000424184409 330320137 /nfs/dbraw/zinc/32/01/37/330320137.db2.gz FEZLCLKQGNVJEQ-AWEZNQCLSA-N 2 0 278.400 0.998 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C[NH3+] ZINC000424192130 330323839 /nfs/dbraw/zinc/32/38/39/330323839.db2.gz IOHYGMJDPZNWHK-UTUOFQBUSA-N 2 0 252.362 0.451 20 30 CCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000490670167 332101770 /nfs/dbraw/zinc/10/17/70/332101770.db2.gz LJORBQPJLDLXSL-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000491327640 332191470 /nfs/dbraw/zinc/19/14/70/332191470.db2.gz XDMONXQDNOCUFN-CYBMUJFWSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000491636918 332257734 /nfs/dbraw/zinc/25/77/34/332257734.db2.gz VHMQHGYMKCPXIQ-GFCCVEGCSA-N 2 0 252.362 0.187 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491644781 332263005 /nfs/dbraw/zinc/26/30/05/332263005.db2.gz LOELNFZDJVWLHY-KBPBESRZSA-N 2 0 280.416 0.723 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000491679868 332283681 /nfs/dbraw/zinc/28/36/81/332283681.db2.gz YCUHEVQOGUGYEG-UHFFFAOYSA-N 2 0 280.416 0.712 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC1CC[NH+](C)CC1 ZINC000491744184 332322327 /nfs/dbraw/zinc/32/23/27/332322327.db2.gz VNYYKETWVYZTFC-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000491744746 332322700 /nfs/dbraw/zinc/32/27/00/332322700.db2.gz SMPHUBFGWFSHBV-CABCVRRESA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000491744752 332322719 /nfs/dbraw/zinc/32/27/19/332322719.db2.gz SMPHUBFGWFSHBV-LSDHHAIUSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000491744896 332322743 /nfs/dbraw/zinc/32/27/43/332322743.db2.gz ZVSMIJVAJLLHNQ-UHFFFAOYSA-N 2 0 288.395 0.900 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000755603377 581648224 /nfs/dbraw/zinc/64/82/24/581648224.db2.gz QQJKVKJOIOQHQO-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCN(C(=S)NCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000899613590 613070806 /nfs/dbraw/zinc/07/08/06/613070806.db2.gz HKZQGISBQGBHRW-UHFFFAOYSA-N 2 0 282.457 0.452 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666562 612956705 /nfs/dbraw/zinc/95/67/05/612956705.db2.gz IVMXSBPRUMWILX-AWEZNQCLSA-N 2 0 274.368 0.091 20 30 CCEDRP C#CCN(CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000932382589 613102668 /nfs/dbraw/zinc/10/26/68/613102668.db2.gz ALBYIRNZTACMCT-UHFFFAOYSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877253552 613390129 /nfs/dbraw/zinc/39/01/29/613390129.db2.gz CRYQGORCVOUPDR-ONGXEEELSA-N 2 0 259.781 0.961 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968996772 612963175 /nfs/dbraw/zinc/96/31/75/612963175.db2.gz OYDDKVAURIMWHU-OLZOCXBDSA-N 2 0 251.374 0.396 20 30 CCEDRP C#CC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000843269564 612965080 /nfs/dbraw/zinc/96/50/80/612965080.db2.gz PCPTWORXVQAENI-ZDUSSCGKSA-N 2 0 277.368 0.021 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465789 613042748 /nfs/dbraw/zinc/04/27/48/613042748.db2.gz QEZWIUOGMYFQGG-FICVDOATSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959975010 613043593 /nfs/dbraw/zinc/04/35/93/613043593.db2.gz ROZTYIMGSWZDIU-ZSAUSMIDSA-N 2 0 275.396 0.396 20 30 CCEDRP C#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270772 613045035 /nfs/dbraw/zinc/04/50/35/613045035.db2.gz ZKTJPJJRMRXURV-KGLIPLIRSA-N 2 0 291.395 0.411 20 30 CCEDRP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000886574350 613068705 /nfs/dbraw/zinc/06/87/05/613068705.db2.gz BLBMMCBRLRSZAZ-UKRRQHHQSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000836344993 613076229 /nfs/dbraw/zinc/07/62/29/613076229.db2.gz FLJKCRNDAISSKT-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000928654887 613133000 /nfs/dbraw/zinc/13/30/00/613133000.db2.gz GZJXABWQWVRMIO-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000922744217 613134570 /nfs/dbraw/zinc/13/45/70/613134570.db2.gz XSJDJMMWVVLWPN-LBPRGKRZSA-N 2 0 266.389 0.333 20 30 CCEDRP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000905463143 613175565 /nfs/dbraw/zinc/17/55/65/613175565.db2.gz XRSIXPZFYKZWMX-CABCVRRESA-N 2 0 265.401 0.130 20 30 CCEDRP CNC(NC[C@H]1CN(Cc2cccc(C)c2)CCO1)=[NH+]C ZINC000864358390 613219065 /nfs/dbraw/zinc/21/90/65/613219065.db2.gz XLXOAWDTWWVCBU-HNNXBMFYSA-N 2 0 290.411 0.991 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598135 613224676 /nfs/dbraw/zinc/22/46/76/613224676.db2.gz RVIPKIWBGLGZNH-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCNC(=O)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879122491 613328021 /nfs/dbraw/zinc/32/80/21/613328021.db2.gz MPLCAHOZBZSWSS-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912905054 613364326 /nfs/dbraw/zinc/36/43/26/613364326.db2.gz ZDOOMGFXLOVRQU-ZDUSSCGKSA-N 2 0 251.374 0.801 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000900578108 613364863 /nfs/dbraw/zinc/36/48/63/613364863.db2.gz JBCKDXDRAWSCHY-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912874470 613365878 /nfs/dbraw/zinc/36/58/78/613365878.db2.gz AKOHHWOBSKUYQC-UHFFFAOYSA-N 2 0 251.374 0.801 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874830358 613366176 /nfs/dbraw/zinc/36/61/76/613366176.db2.gz QWIIYTOJYUSQJQ-CHWSQXEVSA-N 2 0 251.374 0.799 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000856097640 613366416 /nfs/dbraw/zinc/36/64/16/613366416.db2.gz DRUVYFQVJWMBOY-CQSZACIVSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000876772952 613387787 /nfs/dbraw/zinc/38/77/87/613387787.db2.gz JWEIXPQFOXAYMR-GXSJLCMTSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000876986039 613389713 /nfs/dbraw/zinc/38/97/13/613389713.db2.gz WWZNGOGWZSAWRN-NHCYSSNCSA-N 2 0 257.765 0.796 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387462 613390397 /nfs/dbraw/zinc/39/03/97/613390397.db2.gz ZEBYUYPZFAIUTO-JBLDHEPKSA-N 2 0 257.765 0.857 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950510233 613506987 /nfs/dbraw/zinc/50/69/87/613506987.db2.gz OFMAIUSRUDOVKL-UONOGXRCSA-N 2 0 265.401 0.904 20 30 CCEDRP CC#CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019992 613518297 /nfs/dbraw/zinc/51/82/97/613518297.db2.gz YEBRGUXSCWDVFV-CHWSQXEVSA-N 2 0 251.374 0.208 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595022 613546732 /nfs/dbraw/zinc/54/67/32/613546732.db2.gz OGFCOGNIOPHWQJ-UONOGXRCSA-N 2 0 293.411 0.067 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169379 613577553 /nfs/dbraw/zinc/57/75/53/613577553.db2.gz OQVSRZJLEWLVGE-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283163 613585903 /nfs/dbraw/zinc/58/59/03/613585903.db2.gz SJUWPSSFGMTJSX-HUUCEWRRSA-N 2 0 295.427 0.457 20 30 CCEDRP C=CCNC(=O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891536359 613845546 /nfs/dbraw/zinc/84/55/46/613845546.db2.gz IIIUBEVREYSZFV-UHFFFAOYSA-N 2 0 294.443 0.248 20 30 CCEDRP CC(C)([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876538655 614162418 /nfs/dbraw/zinc/16/24/18/614162418.db2.gz LOLCYWQXXBVCKI-ZDUSSCGKSA-N 2 0 272.352 0.599 20 30 CCEDRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884042003 614225495 /nfs/dbraw/zinc/22/54/95/614225495.db2.gz NISJWVCNEPYEPO-IOSBVQAASA-N 2 0 292.427 0.958 20 30 CCEDRP CC1(C)CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH2+]C1 ZINC000877153526 614558873 /nfs/dbraw/zinc/55/88/73/614558873.db2.gz IAOZWMIMDXBWQW-RYUDHWBXSA-N 2 0 266.389 0.902 20 30 CCEDRP CCC([NH3+])(CC)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884039004 614586535 /nfs/dbraw/zinc/58/65/35/614586535.db2.gz BAWHUUYFDGMLJZ-MBHSVXNSSA-N 2 0 278.400 0.759 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852883580 614702420 /nfs/dbraw/zinc/70/24/20/614702420.db2.gz ZWUPSMBMYXJXAV-ZDUSSCGKSA-N 2 0 263.385 0.494 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884365456 614861738 /nfs/dbraw/zinc/86/17/38/614861738.db2.gz JLPZGRITHRNLBO-BRRYPZQOSA-N 2 0 276.384 0.368 20 30 CCEDRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000834493604 614904426 /nfs/dbraw/zinc/90/44/26/614904426.db2.gz FTFHBGIYHAJBKC-ZNMIVQPWSA-N 2 0 286.379 0.907 20 30 CCEDRP CC[NH+](CC)CCSCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844195703 614999341 /nfs/dbraw/zinc/99/93/41/614999341.db2.gz YJCSPPAHDQPYSN-NEPJUHHUSA-N 2 0 284.429 0.289 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000104169028 615131124 /nfs/dbraw/zinc/13/11/24/615131124.db2.gz OYWHIPQXAABXAC-CYBMUJFWSA-N 2 0 295.431 0.388 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000913522508 615860082 /nfs/dbraw/zinc/86/00/82/615860082.db2.gz MQSDYFUOPNZQTQ-HNNXBMFYSA-N 2 0 283.391 0.880 20 30 CCEDRP C[NH+](C)CCC[C@H]1CN(C[C@H](O)CC#N)CCO1 ZINC000931075065 615888528 /nfs/dbraw/zinc/88/85/28/615888528.db2.gz HMEHOQZYMMYQQZ-OLZOCXBDSA-N 2 0 255.362 0.304 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884310002 615927204 /nfs/dbraw/zinc/92/72/04/615927204.db2.gz LZGOJMYZXRLPOY-WJEHIRDRSA-N 2 0 290.411 0.678 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884196573 615973421 /nfs/dbraw/zinc/97/34/21/615973421.db2.gz VEGVYAPXWUSZNC-IQXANGCESA-N 2 0 290.411 0.582 20 30 CCEDRP CN(CC(C)(C)C[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884041507 616051044 /nfs/dbraw/zinc/05/10/44/616051044.db2.gz ZYVSESNEOTYSEA-AVERBVTBSA-N 2 0 278.400 0.569 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864702 616345755 /nfs/dbraw/zinc/34/57/55/616345755.db2.gz FEZWLQNQQJJURK-OAHLLOKOSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139701 625340927 /nfs/dbraw/zinc/34/09/27/625340927.db2.gz LBBQZUOJOVUTGP-ZVDSWSACSA-N 2 0 289.423 0.786 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148941 625343370 /nfs/dbraw/zinc/34/33/70/625343370.db2.gz GRFFTFYHVVPXQC-LFPSSSAGSA-N 2 0 289.423 0.929 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]12 ZINC001026283289 625387599 /nfs/dbraw/zinc/38/75/99/625387599.db2.gz FXDLFDDMEFADKJ-FVQBIDKESA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026592907 625477157 /nfs/dbraw/zinc/47/71/57/625477157.db2.gz STXOZUCINPZXNR-WLYUNCDWSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001022716400 622693392 /nfs/dbraw/zinc/69/33/92/622693392.db2.gz WTSUMMCSJGBUGQ-UPJWGTAASA-N 2 0 251.374 0.751 20 30 CCEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744200 623125746 /nfs/dbraw/zinc/12/57/46/623125746.db2.gz KNWHZJYJPWLECB-KBPBESRZSA-N 2 0 265.401 0.952 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cncn1C ZINC000290736188 623184378 /nfs/dbraw/zinc/18/43/78/623184378.db2.gz WPGIIPYAUZXLPE-LLVKDONJSA-N 2 0 264.377 0.309 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076913 624871019 /nfs/dbraw/zinc/87/10/19/624871019.db2.gz FDTBHMGSMHAJCE-BYNSBNAKSA-N 2 0 275.396 0.731 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001022166553 624890198 /nfs/dbraw/zinc/89/01/98/624890198.db2.gz ZCVLVXTYTGBANQ-HZSPNIEDSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022278196 624907975 /nfs/dbraw/zinc/90/79/75/624907975.db2.gz HLIXXNIZMDQJIW-BARDWOONSA-N 2 0 275.396 0.873 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332203 625834932 /nfs/dbraw/zinc/83/49/32/625834932.db2.gz MYBHKWIRVAFBQL-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000303896519 632493591 /nfs/dbraw/zinc/49/35/91/632493591.db2.gz UOHDWSYLAKGGJT-UHFFFAOYSA-N 2 0 268.405 0.755 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000985653296 632610757 /nfs/dbraw/zinc/61/07/57/632610757.db2.gz KZICBUNMVWEXPR-HIFRSBDPSA-N 2 0 277.412 0.740 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009512139 650146169 /nfs/dbraw/zinc/14/61/69/650146169.db2.gz ASCIZBSIHIULQT-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909395 637105527 /nfs/dbraw/zinc/10/55/27/637105527.db2.gz LEVKPMYNGHPTFO-ZDUSSCGKSA-N 2 0 276.388 0.674 20 30 CCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992415483 637398655 /nfs/dbraw/zinc/39/86/55/637398655.db2.gz ARNLHWBCFOVULM-GDBMZVCRSA-N 2 0 286.379 0.709 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996604131 638823993 /nfs/dbraw/zinc/82/39/93/638823993.db2.gz UIJYCJRMYAAZMN-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996620444 638824784 /nfs/dbraw/zinc/82/47/84/638824784.db2.gz NROBYNGTOIUICZ-GJZGRUSLSA-N 2 0 293.411 0.616 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996617552 638824832 /nfs/dbraw/zinc/82/48/32/638824832.db2.gz BQTKWSFQLDUULG-LSDHHAIUSA-N 2 0 291.395 0.063 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CC1(C)C ZINC000996648368 638826548 /nfs/dbraw/zinc/82/65/48/638826548.db2.gz RMVXUKUIVKRDFG-UONOGXRCSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996769684 638832199 /nfs/dbraw/zinc/83/21/99/638832199.db2.gz IEZNLXLDMLNNOT-UHFFFAOYSA-N 2 0 275.396 0.829 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998798006 638942608 /nfs/dbraw/zinc/94/26/08/638942608.db2.gz XGYKDCPJRLMJCP-BLYZHGLHSA-N 2 0 263.385 0.539 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001000923564 639196179 /nfs/dbraw/zinc/19/61/79/639196179.db2.gz BWZJYPKMKUTRFV-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP N#Cc1ccc(CCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459734 640141797 /nfs/dbraw/zinc/14/17/97/640141797.db2.gz DUGIHIMKZDCSKQ-UHFFFAOYSA-N 2 0 258.369 0.596 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006296543 640219252 /nfs/dbraw/zinc/21/92/52/640219252.db2.gz ZIUDXPRTOYPROI-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015614713 650592420 /nfs/dbraw/zinc/59/24/20/650592420.db2.gz DNLYGBHDXUBSLY-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001527 650672220 /nfs/dbraw/zinc/67/22/20/650672220.db2.gz KWOVJDPPAFFFRN-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848424638 643635767 /nfs/dbraw/zinc/63/57/67/643635767.db2.gz QXPFFCSJIAZEHM-ZFWWWQNUSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848460670 643643318 /nfs/dbraw/zinc/64/33/18/643643318.db2.gz MPZMOUFOOYNLKH-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852859176 644027781 /nfs/dbraw/zinc/02/77/81/644027781.db2.gz NZWHKDUWYYMSMH-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C[C@@H]1C[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852870433 644034139 /nfs/dbraw/zinc/03/41/39/644034139.db2.gz OGLGDLJMKZZDLJ-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000852879284 644038493 /nfs/dbraw/zinc/03/84/93/644038493.db2.gz CTCFKGDYOIPYKD-MRXNPFEDSA-N 2 0 275.396 0.592 20 30 CCEDRP CC[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000852878754 644038647 /nfs/dbraw/zinc/03/86/47/644038647.db2.gz NXUBZXUBZZUSHD-UONOGXRCSA-N 2 0 263.385 0.575 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001019380745 650968025 /nfs/dbraw/zinc/96/80/25/650968025.db2.gz LHGDASQYEKTBFS-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001019593120 650991342 /nfs/dbraw/zinc/99/13/42/650991342.db2.gz JWFOIOWCSUNKEB-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[NH2+]C1CC1 ZINC000867962916 645689839 /nfs/dbraw/zinc/68/98/39/645689839.db2.gz IZOUGWDWYKZOAD-OAHLLOKOSA-N 2 0 284.363 0.613 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)[NH2+]1 ZINC000867966045 645690890 /nfs/dbraw/zinc/69/08/90/645690890.db2.gz LXJCKTWEQZVEDC-BFQNTYOBSA-N 2 0 298.390 0.954 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514215 646615870 /nfs/dbraw/zinc/61/58/70/646615870.db2.gz UUVGSDPIIBQEBD-CZUORRHYSA-N 2 0 298.390 0.942 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967533 646709940 /nfs/dbraw/zinc/70/99/40/646709940.db2.gz HTPZKEKMSQFTHE-VXKCQOAXSA-N 2 0 296.374 0.695 20 30 CCEDRP [NH3+][C@@H]1CCCCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877125473 646739646 /nfs/dbraw/zinc/73/96/46/646739646.db2.gz NBWBWQABPCSGDQ-CQSZACIVSA-N 2 0 263.385 0.719 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877264883 646772423 /nfs/dbraw/zinc/77/24/23/646772423.db2.gz BLABTCQLCQYVNW-CABCVRRESA-N 2 0 275.396 0.590 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303717763 649823913 /nfs/dbraw/zinc/82/39/13/649823913.db2.gz UMBHXROCOSGCCA-CQSZACIVSA-N 2 0 297.447 0.097 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303868082 649825790 /nfs/dbraw/zinc/82/57/90/649825790.db2.gz DITYTZYASKBBOX-NSHDSACASA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C2CC2)C1 ZINC000303872526 649825940 /nfs/dbraw/zinc/82/59/40/649825940.db2.gz CAQMJZTXVLOYBU-UKRRQHHQSA-N 3 0 293.459 0.859 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCC(C)CC1 ZINC000303892295 649826406 /nfs/dbraw/zinc/82/64/06/649826406.db2.gz NOGFDKYHLVUOOL-GFCCVEGCSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303899805 649826745 /nfs/dbraw/zinc/82/67/45/649826745.db2.gz RTMXCDNTVPAZKA-ZDUSSCGKSA-N 2 0 299.488 0.376 20 30 CCEDRP CC(C)CCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303973080 649827509 /nfs/dbraw/zinc/82/75/09/649827509.db2.gz GORVSMHQTAREMM-ZDUSSCGKSA-N 2 0 269.437 0.573 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)N1CC[NH+](C)CC1 ZINC000303987496 649828085 /nfs/dbraw/zinc/82/80/85/649828085.db2.gz VNGOKERZXUFGTM-ZDUSSCGKSA-N 2 0 267.421 0.423 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266322661 790504229 /nfs/dbraw/zinc/50/42/29/790504229.db2.gz LGHKGCXCZHDLNA-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266346832 790557242 /nfs/dbraw/zinc/55/72/42/790557242.db2.gz CVQQJYVZPDJCDT-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP COCC#CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266362474 790590777 /nfs/dbraw/zinc/59/07/77/790590777.db2.gz JOLWXBWDAWXOOD-UHFFFAOYSA-N 2 0 295.427 0.560 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266398843 790636201 /nfs/dbraw/zinc/63/62/01/790636201.db2.gz FFHRWIIOKMCHCL-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266624777 791050042 /nfs/dbraw/zinc/05/00/42/791050042.db2.gz OFEQDNBNJDBOKT-SHTZXODSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659249 791091704 /nfs/dbraw/zinc/09/17/04/791091704.db2.gz BQWNIIDTEJPUBA-LLVKDONJSA-N 2 0 259.781 0.881 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571763 814924343 /nfs/dbraw/zinc/92/43/43/814924343.db2.gz MPGZMRZBVUHTBU-BMFZPTHFSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985122 807106494 /nfs/dbraw/zinc/10/64/94/807106494.db2.gz KWIHUIGRUJXIOL-ZIAGYGMSSA-N 2 0 283.416 0.014 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001022360733 791334336 /nfs/dbraw/zinc/33/43/36/791334336.db2.gz GLCOSIQMAYLARC-BETUJISGSA-N 2 0 261.369 0.485 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266949684 791385369 /nfs/dbraw/zinc/38/53/69/791385369.db2.gz JWVCJBAJZUBVEH-STQMWFEESA-N 2 0 253.390 0.690 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267016226 791452360 /nfs/dbraw/zinc/45/23/60/791452360.db2.gz OEMWGYBWYUGJEH-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267195751 791655813 /nfs/dbraw/zinc/65/58/13/791655813.db2.gz MIEZABZZROMYIQ-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001278088197 806655346 /nfs/dbraw/zinc/65/53/46/806655346.db2.gz QMPRTPGRWKATAY-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC001120581634 798876612 /nfs/dbraw/zinc/87/66/12/798876612.db2.gz AIUXAHCSBJLNDC-CYBMUJFWSA-N 2 0 254.374 0.197 20 30 CCEDRP N#Cc1ccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001151098147 800398052 /nfs/dbraw/zinc/39/80/52/800398052.db2.gz VWCFIUUVAIHRCS-UHFFFAOYSA-N 2 0 286.379 0.860 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152147324 800495024 /nfs/dbraw/zinc/49/50/24/800495024.db2.gz LUXUHQGLNYLJOO-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=C)C)CC1 ZINC001152331105 800510989 /nfs/dbraw/zinc/51/09/89/800510989.db2.gz ZXPBJEDMMGVVBR-UHFFFAOYSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=C)Cl)CC1 ZINC001152330674 800511755 /nfs/dbraw/zinc/51/17/55/800511755.db2.gz RVJKRRSNYFJGND-UHFFFAOYSA-N 2 0 283.803 0.790 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314082 800620144 /nfs/dbraw/zinc/62/01/44/800620144.db2.gz DAFYGZQNJJIEDQ-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890465 801254772 /nfs/dbraw/zinc/25/47/72/801254772.db2.gz LWZGGDXYPXNHRY-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP N#Cc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1F ZINC001157096682 801299255 /nfs/dbraw/zinc/29/92/55/801299255.db2.gz MDWYSCKEPYLIMP-UHFFFAOYSA-N 2 0 250.281 0.768 20 30 CCEDRP N#Cc1c2c(cnc1-n1cc(C[NH3+])cn1)C[NH2+]CCC2 ZINC001157470445 801393540 /nfs/dbraw/zinc/39/35/40/801393540.db2.gz XJAXLPCUFPPKAR-UHFFFAOYSA-N 2 0 268.324 0.633 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157536729 801408581 /nfs/dbraw/zinc/40/85/81/801408581.db2.gz PBDQTDWQGCRNKG-MJBXVCDLSA-N 2 0 290.342 0.326 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157887125 801510241 /nfs/dbraw/zinc/51/02/41/801510241.db2.gz RACSGGLNXUEQFC-HNNXBMFYSA-N 2 0 295.427 0.605 20 30 CCEDRP CO[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C[C@@H]1[NH3+] ZINC001158704187 801686971 /nfs/dbraw/zinc/68/69/71/801686971.db2.gz KRCHCSWFSDDTFK-UONOGXRCSA-N 2 0 287.367 0.151 20 30 CCEDRP N#Cc1c(Nc2nccnc2C[NH3+])ncc2c1CCC[NH2+]C2 ZINC001160244325 801922320 /nfs/dbraw/zinc/92/23/20/801922320.db2.gz HPWFSEATCAHOQG-UHFFFAOYSA-N 2 0 295.350 0.981 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160273218 801925708 /nfs/dbraw/zinc/92/57/08/801925708.db2.gz JLJTUCGIYRSLTH-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274497 801926483 /nfs/dbraw/zinc/92/64/83/801926483.db2.gz UMRJYOUCQZJPLX-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP N#CCc1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc[nH+]1 ZINC001163107890 802484804 /nfs/dbraw/zinc/48/48/04/802484804.db2.gz HHGSAPQJGCBSEG-LERXQTSPSA-N 2 0 258.325 0.216 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677712 802936865 /nfs/dbraw/zinc/93/68/65/802936865.db2.gz LSEIYMCMGIGTCN-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537076 812828856 /nfs/dbraw/zinc/82/88/56/812828856.db2.gz GTYZYEWKZCSWJU-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001206688281 803278739 /nfs/dbraw/zinc/27/87/39/803278739.db2.gz OJJOFIAGLLQECG-UHFFFAOYSA-N 2 0 274.368 0.804 20 30 CCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206927624 803308012 /nfs/dbraw/zinc/30/80/12/803308012.db2.gz HWNVXAWKZDIGOE-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209640872 803619510 /nfs/dbraw/zinc/61/95/10/803619510.db2.gz DTPKZCGFZRFMCC-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685418 803657648 /nfs/dbraw/zinc/65/76/48/803657648.db2.gz VRSDWGJEJDVJNC-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276705567 803704885 /nfs/dbraw/zinc/70/48/85/803704885.db2.gz ZBAHGTXOQIGHQJ-CHWSQXEVSA-N 2 0 251.374 0.609 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648819 803755133 /nfs/dbraw/zinc/75/51/33/803755133.db2.gz XRNWPRFCKVXABA-FVQBIDKESA-N 2 0 289.423 0.788 20 30 CCEDRP C[N@H+](C[C@H](O)COc1ccccc1C#N)C1CC([NH3+])C1 ZINC000402198833 803817072 /nfs/dbraw/zinc/81/70/72/803817072.db2.gz GJYUHIQTWXLVAW-RUXDESIVSA-N 2 0 275.352 0.719 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215998768 803831701 /nfs/dbraw/zinc/83/17/01/803831701.db2.gz AUMYYJJMXSSPEA-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752383 803853166 /nfs/dbraw/zinc/85/31/66/803853166.db2.gz MCTXFDKPOBBIFB-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C=C1CC[NH2+]C[C@H]1OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833428 803916376 /nfs/dbraw/zinc/91/63/76/803916376.db2.gz WFWKPLHOHQTMDZ-DGAVXFQQSA-N 2 0 252.358 0.688 20 30 CCEDRP Cc1noc2nc(O[C@H]3C[NH2+]C[C@H]3C#N)c3c(c12)CC[NH2+]C3 ZINC001218200828 803936171 /nfs/dbraw/zinc/93/61/71/803936171.db2.gz NPVKBAHSDCYFFP-SKDRFNHKSA-N 2 0 299.334 0.667 20 30 CCEDRP N#Cc1cccc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001218588024 804021946 /nfs/dbraw/zinc/02/19/46/804021946.db2.gz OIEHNEMERZRUQS-LBPRGKRZSA-N 2 0 285.351 0.766 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218979574 804173038 /nfs/dbraw/zinc/17/30/38/804173038.db2.gz PCMUVAKBRMXWIZ-NSHDSACASA-N 2 0 276.340 0.962 20 30 CCEDRP [NH3+][C@@H](C(=O)NC1=CC(=O)CCC1)C1CC[NH2+]CC1 ZINC001219885404 804440990 /nfs/dbraw/zinc/44/09/90/804440990.db2.gz OICLQOQDHBTXPW-GFCCVEGCSA-N 2 0 251.330 0.066 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237857 804544049 /nfs/dbraw/zinc/54/40/49/804544049.db2.gz GGKBRHRTPJIXBV-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269256 804557142 /nfs/dbraw/zinc/55/71/42/804557142.db2.gz UPYAMTMTGKSRBI-CABCVRRESA-N 2 0 295.427 0.456 20 30 CCEDRP C#Cc1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001220381592 804589744 /nfs/dbraw/zinc/58/97/44/804589744.db2.gz LNMFBWAKIZXLFF-CQSZACIVSA-N 2 0 269.348 0.093 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429294 804602796 /nfs/dbraw/zinc/60/27/96/804602796.db2.gz OTWJPFCNFHEADH-STQMWFEESA-N 2 0 269.389 0.555 20 30 CCEDRP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220828867 804677522 /nfs/dbraw/zinc/67/75/22/804677522.db2.gz GGEWAPXENLMVPS-ZNMIVQPWSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081465 804727976 /nfs/dbraw/zinc/72/79/76/804727976.db2.gz NGRDJLTZGORCNM-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221291939 804767012 /nfs/dbraw/zinc/76/70/12/804767012.db2.gz AJYHBWNVTCVBOQ-ZFWWWQNUSA-N 2 0 295.431 0.181 20 30 CCEDRP C[C@H](NC(=O)NCC#CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC001223655144 804984439 /nfs/dbraw/zinc/98/44/39/804984439.db2.gz NKCIWOGACNKDMI-ZDUSSCGKSA-N 2 0 282.432 0.827 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001224521959 805044000 /nfs/dbraw/zinc/04/40/00/805044000.db2.gz DWDCWIVZTNILGI-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225168386 805112254 /nfs/dbraw/zinc/11/22/54/805112254.db2.gz WCEQHRTZAUUPRR-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245995671 807109405 /nfs/dbraw/zinc/10/94/05/807109405.db2.gz DOBGFGURMFADDY-MCIONIFRSA-N 2 0 252.358 0.391 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CCCC[NH2+]C1 ZINC001246311116 807217886 /nfs/dbraw/zinc/21/78/86/807217886.db2.gz KDHGPQCJMHVPPY-KBPBESRZSA-N 2 0 283.416 0.945 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246312432 807218603 /nfs/dbraw/zinc/21/86/03/807218603.db2.gz OTUFUXALZAXDJS-IHRRRGAJSA-N 2 0 283.416 0.943 20 30 CCEDRP N#Cc1cncc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246345632 807228339 /nfs/dbraw/zinc/22/83/39/807228339.db2.gz BEDOZZSOXAJIDG-ZDUSSCGKSA-N 2 0 257.341 0.137 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001251854588 807721834 /nfs/dbraw/zinc/72/18/34/807721834.db2.gz HNXMDZDCEPAWCU-ZIAGYGMSSA-N 2 0 252.358 0.025 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001251896877 807741020 /nfs/dbraw/zinc/74/10/20/807741020.db2.gz PELLPFQKIOZVMC-IHRRRGAJSA-N 2 0 254.374 0.460 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001251906591 807743939 /nfs/dbraw/zinc/74/39/39/807743939.db2.gz HUDMWTMUGMGZIP-RRFJBIMHSA-N 2 0 268.401 0.706 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252483298 807888553 /nfs/dbraw/zinc/88/85/53/807888553.db2.gz SEIJKBAZKUVVOK-ZIAGYGMSSA-N 2 0 256.390 0.871 20 30 CCEDRP C=C(C)C(=O)NCCC[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC001253206529 808031944 /nfs/dbraw/zinc/03/19/44/808031944.db2.gz OVEXVNMGXBFGOE-CYBMUJFWSA-N 2 0 271.405 0.361 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCOCC1 ZINC001278728570 808077009 /nfs/dbraw/zinc/07/70/09/808077009.db2.gz QRTGHELOPACTIW-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CCCCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254162741 808192977 /nfs/dbraw/zinc/19/29/77/808192977.db2.gz GOCDDDBUHRZUQT-UHFFFAOYSA-N 2 0 263.389 0.953 20 30 CCEDRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254642479 808269086 /nfs/dbraw/zinc/26/90/86/808269086.db2.gz HXWWPSNKZKAGKJ-KBPBESRZSA-N 2 0 250.390 0.906 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001278816344 808282616 /nfs/dbraw/zinc/28/26/16/808282616.db2.gz QFQZCBBIECZKKT-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278833680 808307092 /nfs/dbraw/zinc/30/70/92/808307092.db2.gz VWWABZSSGTUFTF-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278865493 808357953 /nfs/dbraw/zinc/35/79/53/808357953.db2.gz ZMNPNZIHGVVMSU-CABCVRRESA-N 2 0 297.443 0.798 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC001262566761 809345142 /nfs/dbraw/zinc/34/51/42/809345142.db2.gz ZKASOEJVTATXAQ-AWEZNQCLSA-N 2 0 268.401 0.587 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076465510 815301567 /nfs/dbraw/zinc/30/15/67/815301567.db2.gz IVOWCMRIRQYDEN-LSDHHAIUSA-N 2 0 287.407 0.638 20 30 CCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264078366 809628784 /nfs/dbraw/zinc/62/87/84/809628784.db2.gz IWAZZOVILKDXQB-OAHLLOKOSA-N 2 0 295.427 0.247 20 30 CCEDRP COCC#CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265032426 809697358 /nfs/dbraw/zinc/69/73/58/809697358.db2.gz VJNUCAKFSJPKMN-OAHLLOKOSA-N 2 0 297.443 0.661 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001265370322 809766767 /nfs/dbraw/zinc/76/67/67/809766767.db2.gz OUHQNAFYIZTKPU-TZMCWYRMSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001265812882 809860489 /nfs/dbraw/zinc/86/04/89/809860489.db2.gz GHFQQKKRTULSJA-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001279229284 809972994 /nfs/dbraw/zinc/97/29/94/809972994.db2.gz LNVSZDNZPPLXQP-GPANFISMSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001279307415 809975235 /nfs/dbraw/zinc/97/52/35/809975235.db2.gz HMFZTSFKKSECJH-UHFFFAOYSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269788 811119336 /nfs/dbraw/zinc/11/93/36/811119336.db2.gz QJIKLJHFAMAZNO-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221292521 811764540 /nfs/dbraw/zinc/76/45/40/811764540.db2.gz NRWNUUIAOUXCEW-TZMCWYRMSA-N 2 0 266.389 0.758 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737662 811771468 /nfs/dbraw/zinc/77/14/68/811771468.db2.gz YFTLAKWBGTUURR-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268064660 812176351 /nfs/dbraw/zinc/17/63/51/812176351.db2.gz SNPLTNFRHVXJCY-CYBMUJFWSA-N 2 0 293.415 0.681 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027982408 812193462 /nfs/dbraw/zinc/19/34/62/812193462.db2.gz VQMWNKBIGLYSIC-UONOGXRCSA-N 2 0 286.379 0.659 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027982406 812193681 /nfs/dbraw/zinc/19/36/81/812193681.db2.gz VQMWNKBIGLYSIC-KBPBESRZSA-N 2 0 286.379 0.659 20 30 CCEDRP N#Cc1cc(NC(=[NH2+])NCCCC[NH3+])nc(C2CC2)n1 ZINC001167880642 812400087 /nfs/dbraw/zinc/40/00/87/812400087.db2.gz SVBAXMPYGQUJGU-UHFFFAOYSA-N 2 0 273.344 0.901 20 30 CCEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263317 812528864 /nfs/dbraw/zinc/52/88/64/812528864.db2.gz OMGPFEDZLVAABA-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028312037 812610615 /nfs/dbraw/zinc/61/06/15/812610615.db2.gz AQLLWOYAZGZAHP-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545368 812831983 /nfs/dbraw/zinc/83/19/83/812831983.db2.gz PBEYPECOTFFGJN-UKRRQHHQSA-N 2 0 275.396 0.400 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268674795 812995219 /nfs/dbraw/zinc/99/52/19/812995219.db2.gz ZQRJFEAFMDGGRR-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268674647 812996030 /nfs/dbraw/zinc/99/60/30/812996030.db2.gz RAYOQVQJJAMPGG-CHWSQXEVSA-N 2 0 269.389 0.235 20 30 CCEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268687171 813010248 /nfs/dbraw/zinc/01/02/48/813010248.db2.gz ZGLREKDDGJURBA-JSGCOSHPSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028641123 813097922 /nfs/dbraw/zinc/09/79/22/813097922.db2.gz BSRYIYROGTXKHM-UONOGXRCSA-N 2 0 286.379 0.517 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269422421 813364484 /nfs/dbraw/zinc/36/44/84/813364484.db2.gz AKSKUOBJEOPIGQ-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269522676 813402348 /nfs/dbraw/zinc/40/23/48/813402348.db2.gz RZPADTNMURNIIQ-CYBMUJFWSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269522226 813403157 /nfs/dbraw/zinc/40/31/57/813403157.db2.gz LIZSCBCRSZOEKE-CYBMUJFWSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269619062 813449334 /nfs/dbraw/zinc/44/93/34/813449334.db2.gz JKYVVELIBXXLPW-XPKDYRNWSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778719 813490426 /nfs/dbraw/zinc/49/04/26/813490426.db2.gz JTPGDBUAUQVVJS-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065521 815620938 /nfs/dbraw/zinc/62/09/38/815620938.db2.gz AICUSKFAIVSUSR-ZDUSSCGKSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299435 816286112 /nfs/dbraw/zinc/28/61/12/816286112.db2.gz BFFSWAWONBVLSN-CABCVRRESA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584318 817164883 /nfs/dbraw/zinc/16/48/83/817164883.db2.gz BPXRBTWYVOWRHM-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001031667090 817229791 /nfs/dbraw/zinc/22/97/91/817229791.db2.gz XMFYYSUBNCYTCG-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CCN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681577 817240196 /nfs/dbraw/zinc/24/01/96/817240196.db2.gz ZAELMHAWNNAADY-TZMCWYRMSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273017940 818430971 /nfs/dbraw/zinc/43/09/71/818430971.db2.gz FGRNXPZAHASHFW-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091141 818507679 /nfs/dbraw/zinc/50/76/79/818507679.db2.gz HNOYBBMDDUYJEH-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831711 818962153 /nfs/dbraw/zinc/96/21/53/818962153.db2.gz XJLHPEJLWKDIOQ-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485166 819220550 /nfs/dbraw/zinc/22/05/50/819220550.db2.gz COCVFQYMHSIUTC-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036054785 819678742 /nfs/dbraw/zinc/67/87/42/819678742.db2.gz MNARIZMINJCUGV-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707903 820455934 /nfs/dbraw/zinc/45/59/34/820455934.db2.gz YJVFRPDOCOAABP-VNQPRFMTSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC001273201819 820577934 /nfs/dbraw/zinc/57/79/34/820577934.db2.gz PDDLBBPHSIHZHY-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082919878 821060936 /nfs/dbraw/zinc/06/09/36/821060936.db2.gz IRVKWDGMWBRAMY-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053809 821189378 /nfs/dbraw/zinc/18/93/78/821189378.db2.gz LUCPXCIYGUMVNH-MCIONIFRSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231419 821246640 /nfs/dbraw/zinc/24/66/40/821246640.db2.gz ABWKWUIPDMRNRJ-RBSFLKMASA-N 2 0 275.396 0.637 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355382 821278874 /nfs/dbraw/zinc/27/88/74/821278874.db2.gz VIRFHXLUOAJGEV-KLHDSHLOSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001085149573 821517180 /nfs/dbraw/zinc/51/71/80/821517180.db2.gz XPDYUBIBXGODKB-MGPQQGTHSA-N 2 0 263.385 0.731 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(CC)CCO1 ZINC001085428520 821683125 /nfs/dbraw/zinc/68/31/25/821683125.db2.gz GAJQVQSXJZASPI-RBSFLKMASA-N 2 0 295.427 0.910 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518327 821763829 /nfs/dbraw/zinc/76/38/29/821763829.db2.gz OZQOUNPWUYFCOF-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927680 822019369 /nfs/dbraw/zinc/01/93/69/822019369.db2.gz DOUUBBKRDKUBLP-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086370870 822229608 /nfs/dbraw/zinc/22/96/08/822229608.db2.gz CRRYQMXBRGKJGV-AAVRWANBSA-N 2 0 265.401 0.997 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173725 837717673 /nfs/dbraw/zinc/71/76/73/837717673.db2.gz MHSJDEFVFNRMSJ-UHFFFAOYSA-N 2 0 263.385 0.592 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001130484347 837807130 /nfs/dbraw/zinc/80/71/30/837807130.db2.gz LEGHFGLUOUJUFS-LLVKDONJSA-N 2 0 282.775 0.904 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363474 836524756 /nfs/dbraw/zinc/52/47/56/836524756.db2.gz GRGWTDBYPBIWJS-CQSZACIVSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132738064 838480938 /nfs/dbraw/zinc/48/09/38/838480938.db2.gz VATXHLQZWPYGAQ-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cncc2C)CC[C@H]1C ZINC001132977340 838528674 /nfs/dbraw/zinc/52/86/74/838528674.db2.gz LCIYWPORVUMSLH-UKRRQHHQSA-N 2 0 288.395 0.899 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185073319 844339048 /nfs/dbraw/zinc/33/90/48/844339048.db2.gz PQVYMBVVGLMVAW-UONOGXRCSA-N 2 0 265.401 0.646 20 30 CCEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870609 838750594 /nfs/dbraw/zinc/75/05/94/838750594.db2.gz UXNQXLBFLFJXMB-DOTOQJQBSA-N 2 0 299.418 0.942 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185384482 844406370 /nfs/dbraw/zinc/40/63/70/844406370.db2.gz FGHLYCAXBMDUPM-LLVKDONJSA-N 2 0 259.781 0.881 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135437452 839249503 /nfs/dbraw/zinc/24/95/03/839249503.db2.gz UISVAYHRBXBQSF-UHFFFAOYSA-N 2 0 253.390 0.838 20 30 CCEDRP COC(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)n1 ZINC001170899586 839547950 /nfs/dbraw/zinc/54/79/50/839547950.db2.gz CWHQYVPWASBZAT-LLVKDONJSA-N 2 0 263.301 0.175 20 30 CCEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811632 839829777 /nfs/dbraw/zinc/82/97/77/839829777.db2.gz CRUBYAKWIRSYLJ-GJZGRUSLSA-N 2 0 295.427 0.600 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC([NH3+])CC1 ZINC001160511909 839960378 /nfs/dbraw/zinc/96/03/78/839960378.db2.gz YJHOQWCEKVJSFN-AWEZNQCLSA-N 2 0 272.352 0.378 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001144218906 839978718 /nfs/dbraw/zinc/97/87/18/839978718.db2.gz CJJDEJYANYORPV-UHFFFAOYSA-N 2 0 296.459 0.494 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001091025950 839993394 /nfs/dbraw/zinc/99/33/94/839993394.db2.gz AXMVIOLUIJOUJW-YMAMQOFZSA-N 2 0 277.412 0.977 20 30 CCEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCN(C)CC[NH3+] ZINC001171192299 840066058 /nfs/dbraw/zinc/06/60/58/840066058.db2.gz MPHFHTPSTMVJTK-ZDUSSCGKSA-N 2 0 260.385 0.969 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161598 840752719 /nfs/dbraw/zinc/75/27/19/840752719.db2.gz WVLTXROZHDBMLR-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359872 840793128 /nfs/dbraw/zinc/79/31/28/840793128.db2.gz FYGPYSDFWQBUFI-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133980 841153494 /nfs/dbraw/zinc/15/34/94/841153494.db2.gz SBANIYFHRBRLMH-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3)CC[C@@H]21 ZINC001036786307 841217325 /nfs/dbraw/zinc/21/73/25/841217325.db2.gz SQTIWKXMHGGCIW-CABCVRRESA-N 2 0 286.379 0.829 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036869941 841431625 /nfs/dbraw/zinc/43/16/25/841431625.db2.gz MQULHGCGZZUKCW-HUUCEWRRSA-N 2 0 287.407 0.638 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149850077 841515321 /nfs/dbraw/zinc/51/53/21/841515321.db2.gz YLXKFCRBNHKVPM-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC#CCOC ZINC001171763236 841761702 /nfs/dbraw/zinc/76/17/02/841761702.db2.gz WEDVTNTVNUWSIY-UHFFFAOYSA-N 2 0 269.389 0.074 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986741 842478165 /nfs/dbraw/zinc/47/81/65/842478165.db2.gz UYEHWLLIYIKIQX-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929634 843082600 /nfs/dbraw/zinc/08/26/00/843082600.db2.gz RWQZFCLVALNRMG-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181672691 843573608 /nfs/dbraw/zinc/57/36/08/843573608.db2.gz AVTRQNSESQOZIN-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097797 843758142 /nfs/dbraw/zinc/75/81/42/843758142.db2.gz SFVPIRHPSNMKGA-UHFFFAOYSA-N 2 0 286.379 0.860 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684321 843895874 /nfs/dbraw/zinc/89/58/74/843895874.db2.gz OEYCSVNSRUMWBD-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001183045026 843956792 /nfs/dbraw/zinc/95/67/92/843956792.db2.gz QTRHHVWCSZEUDP-UHFFFAOYSA-N 2 0 287.367 0.433 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187239863 844675756 /nfs/dbraw/zinc/67/57/56/844675756.db2.gz FSLHMNYFCCJNSH-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCF)C2)CC1 ZINC001188092683 844829980 /nfs/dbraw/zinc/82/99/80/844829980.db2.gz VXOROZACHYVUKT-OAHLLOKOSA-N 2 0 295.402 0.882 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189035477 845027757 /nfs/dbraw/zinc/02/77/57/845027757.db2.gz ZKUVVDLIDONUCD-QWHCGFSZSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351078 845392307 /nfs/dbraw/zinc/39/23/07/845392307.db2.gz PYIKEGPDDZQJQR-UONOGXRCSA-N 2 0 263.385 0.493 20 30 CCEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001192969693 845957118 /nfs/dbraw/zinc/95/71/18/845957118.db2.gz MWOWGRDMUNFMFY-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461121 846081004 /nfs/dbraw/zinc/08/10/04/846081004.db2.gz FIHCDDRBSFJGQV-ZDUSSCGKSA-N 2 0 269.389 0.283 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193782388 846152347 /nfs/dbraw/zinc/15/23/47/846152347.db2.gz YGRWSLLYWBSVKH-KFWWJZLASA-N 2 0 295.427 0.454 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194244721 846248274 /nfs/dbraw/zinc/24/82/74/846248274.db2.gz XMPXIICBKKAVTP-CHWSQXEVSA-N 2 0 283.416 0.454 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194294773 846268244 /nfs/dbraw/zinc/26/82/44/846268244.db2.gz MXVLQTHCHWSNIS-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195267147 846487839 /nfs/dbraw/zinc/48/78/39/846487839.db2.gz FFNGGPCRQCMIHC-OAHLLOKOSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268573 846716312 /nfs/dbraw/zinc/71/63/12/846716312.db2.gz WDPGQIKUGAUNEC-HZSPNIEDSA-N 2 0 283.416 0.454 20 30 CCEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001273753207 846968008 /nfs/dbraw/zinc/96/80/08/846968008.db2.gz SFKUFMJPMGKPFA-HNNXBMFYSA-N 2 0 297.443 0.969 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122704 847554552 /nfs/dbraw/zinc/55/45/52/847554552.db2.gz HXGGUJRAQQRMCC-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688382 847677250 /nfs/dbraw/zinc/67/72/50/847677250.db2.gz OJUUGSCCTBXNOF-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882498 847728504 /nfs/dbraw/zinc/72/85/04/847728504.db2.gz ZPAZQUCLHDFHPM-ZBFHGGJFSA-N 2 0 295.427 0.552 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276443 847759235 /nfs/dbraw/zinc/75/92/35/847759235.db2.gz IFZJQFARPCQNQQ-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001252486582 847984746 /nfs/dbraw/zinc/98/47/46/847984746.db2.gz FDXHLYQXGBWRSX-HNNXBMFYSA-N 2 0 286.416 0.640 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114361440 848026155 /nfs/dbraw/zinc/02/61/55/848026155.db2.gz NPBGKGAFGIXBBI-BARDWOONSA-N 2 0 295.402 0.736 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409081 848050330 /nfs/dbraw/zinc/05/03/30/848050330.db2.gz GDRKYCUIZZGCIX-CBBWQLFWSA-N 2 0 275.396 0.396 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001274250579 848431157 /nfs/dbraw/zinc/43/11/57/848431157.db2.gz IQOCXYZHGIJQMJ-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001275459050 848726643 /nfs/dbraw/zinc/72/66/43/848726643.db2.gz KNGQLRARWRWJGT-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001276167362 848946807 /nfs/dbraw/zinc/94/68/07/848946807.db2.gz BQLRLAMINRQKRT-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496675 849225666 /nfs/dbraw/zinc/22/56/66/849225666.db2.gz QTLAVQNRYYPQNU-QLPKVWCKSA-N 2 0 298.390 0.588 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841423 849424307 /nfs/dbraw/zinc/42/43/07/849424307.db2.gz VVTYWCAOXNOCPK-NHAGDIPZSA-N 2 0 277.412 0.644 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCF)CC1 ZINC001039041447 850137825 /nfs/dbraw/zinc/13/78/25/850137825.db2.gz CTHFNEBNJRWOKJ-OAHLLOKOSA-N 2 0 295.402 0.882 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356914 850436742 /nfs/dbraw/zinc/43/67/42/850436742.db2.gz DEAQIUITHBJZMF-WBVHZDCISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785597 850502461 /nfs/dbraw/zinc/50/24/61/850502461.db2.gz JBDYNEWUFWKMIB-NVXWUHKLSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832569 850510453 /nfs/dbraw/zinc/51/04/53/850510453.db2.gz BTKWIECMHAGNIC-INIZCTEOSA-N 2 0 275.396 0.640 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045557178 851279398 /nfs/dbraw/zinc/27/93/98/851279398.db2.gz XGMMPSLQZSYZOS-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046926618 851646319 /nfs/dbraw/zinc/64/63/19/851646319.db2.gz UPEBJMVCFRGSJH-CHWSQXEVSA-N 2 0 299.365 0.787 20 30 CCEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001096344322 851945105 /nfs/dbraw/zinc/94/51/05/851945105.db2.gz KBAUPXZBCQKICM-KBXIAJHMSA-N 2 0 275.396 0.683 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C1 ZINC001048792684 852061575 /nfs/dbraw/zinc/06/15/75/852061575.db2.gz SASVSLYJOIROSP-OKILXGFUSA-N 2 0 286.379 0.756 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048871143 852088717 /nfs/dbraw/zinc/08/87/17/852088717.db2.gz JNEQXANXOAQFNT-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048888613 852100556 /nfs/dbraw/zinc/10/05/56/852100556.db2.gz SBEZNZLTQHEPCJ-QLFBSQMISA-N 2 0 277.412 0.740 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049057178 852150539 /nfs/dbraw/zinc/15/05/39/852150539.db2.gz BBNNLCXARGGOTM-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173410 852182922 /nfs/dbraw/zinc/18/29/22/852182922.db2.gz WSMPIEZSOZBGMI-OKILXGFUSA-N 2 0 273.380 0.106 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072552565 854414562 /nfs/dbraw/zinc/41/45/62/854414562.db2.gz QRXNAYKSYSZBQV-ZDUSSCGKSA-N 2 0 263.385 0.801 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001072858842 854482225 /nfs/dbraw/zinc/48/22/25/854482225.db2.gz KOVHABJIWKNYJR-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971475 855056848 /nfs/dbraw/zinc/05/68/48/855056848.db2.gz IRPHSRDUVHNLSA-CHWSQXEVSA-N 2 0 281.400 0.066 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100411658 855163638 /nfs/dbraw/zinc/16/36/38/855163638.db2.gz LEQHFIBHBRGHNI-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100444690 855169663 /nfs/dbraw/zinc/16/96/63/855169663.db2.gz VSHNMEVPTNVSEY-WXRRBKDZSA-N 2 0 251.374 0.444 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980939 855251581 /nfs/dbraw/zinc/25/15/81/855251581.db2.gz NJRXRNBFGAKOCC-MOKVOYLWSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600948 855448991 /nfs/dbraw/zinc/44/89/91/855448991.db2.gz DNCWKIKTUCZARJ-ZIAGYGMSSA-N 2 0 265.401 0.644 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864583 855602051 /nfs/dbraw/zinc/60/20/51/855602051.db2.gz XKSGKWUJMLYYMZ-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001118061244 856150793 /nfs/dbraw/zinc/15/07/93/856150793.db2.gz RCHQJTMBVLZYPT-JGVFFNPUSA-N 2 0 266.267 0.403 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001118061245 856151504 /nfs/dbraw/zinc/15/15/04/856151504.db2.gz RCHQJTMBVLZYPT-SFYZADRCSA-N 2 0 266.267 0.403 20 30 CCEDRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118130927 856170251 /nfs/dbraw/zinc/17/02/51/856170251.db2.gz OLZNJABNUSWXHA-CQSZACIVSA-N 2 0 296.415 0.625 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1([NH3+])CCC1)C2 ZINC001119296813 856618611 /nfs/dbraw/zinc/61/86/11/856618611.db2.gz DTZKPPCFQHUUSS-QWKFWESOSA-N 2 0 262.357 0.123 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001282875735 891514235 /nfs/dbraw/zinc/51/42/35/891514235.db2.gz KYYMKHOSODIHGJ-QKDCVEJESA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481813001 893179215 /nfs/dbraw/zinc/17/92/15/893179215.db2.gz BSTWUYZFHNWXIF-JHJVBQTASA-N 2 0 253.390 0.997 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282766 893764693 /nfs/dbraw/zinc/76/46/93/893764693.db2.gz FLSHPAJMXWHYCU-RRFJBIMHSA-N 2 0 297.443 0.966 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001326288625 913866486 /nfs/dbraw/zinc/86/64/86/913866486.db2.gz OXMWWMRFBDWYSL-GRYCIOLGSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001482899168 894671890 /nfs/dbraw/zinc/67/18/90/894671890.db2.gz MEBHHXBIMNVKFL-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCF)CC1 ZINC001507161501 895439605 /nfs/dbraw/zinc/43/96/05/895439605.db2.gz LEXSMGXSBQYBFQ-ZDUSSCGKSA-N 2 0 283.391 0.738 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319066 895442782 /nfs/dbraw/zinc/44/27/82/895442782.db2.gz HBUYRRCGRCWOSV-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483382781 895524950 /nfs/dbraw/zinc/52/49/50/895524950.db2.gz DBHUMLFBSADDAZ-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001483791317 896052802 /nfs/dbraw/zinc/05/28/02/896052802.db2.gz UBWFEWGXUKCVQT-CYBMUJFWSA-N 2 0 281.400 0.379 20 30 CCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001484236850 896272450 /nfs/dbraw/zinc/27/24/50/896272450.db2.gz SHSMHLYGGPJGED-HOCLYGCPSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484445684 896416240 /nfs/dbraw/zinc/41/62/40/896416240.db2.gz ITOXPWHQMJLIJC-INIZCTEOSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001484765529 896593254 /nfs/dbraw/zinc/59/32/54/896593254.db2.gz IOBHHFNPDRMHRY-ZDUSSCGKSA-N 2 0 253.390 0.740 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001485533357 897112936 /nfs/dbraw/zinc/11/29/36/897112936.db2.gz PXYUOACJPRWASJ-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485694742 897193506 /nfs/dbraw/zinc/19/35/06/897193506.db2.gz SGUASSXNMKHJTP-JOCQHMNTSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733600 898032185 /nfs/dbraw/zinc/03/21/85/898032185.db2.gz CEYJQBLABMZOSD-KBPBESRZSA-N 2 0 273.380 0.391 20 30 CCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485877764 898484745 /nfs/dbraw/zinc/48/47/45/898484745.db2.gz OHYLHZXWEZZYFS-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001486309044 898771630 /nfs/dbraw/zinc/77/16/30/898771630.db2.gz DIVQGMIXEZQQPF-ZDUSSCGKSA-N 2 0 285.432 0.559 20 30 CCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327187665 914408712 /nfs/dbraw/zinc/40/87/12/914408712.db2.gz GHQXBCJVCZTHHT-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001488684051 900341750 /nfs/dbraw/zinc/34/17/50/900341750.db2.gz RYDCIHPVNQABCR-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001327903099 902562586 /nfs/dbraw/zinc/56/25/86/902562586.db2.gz NLTUWSZAAIOBRJ-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491178779 903422704 /nfs/dbraw/zinc/42/27/04/903422704.db2.gz GOMPBWSAFITWLD-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064551 903832217 /nfs/dbraw/zinc/83/22/17/903832217.db2.gz OXXZUUOQKCVUNR-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969713 903847537 /nfs/dbraw/zinc/84/75/37/903847537.db2.gz XMPNIGWRYPILKK-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001281634677 904314049 /nfs/dbraw/zinc/31/40/49/904314049.db2.gz NIYPZNSPCOATCU-AWEZNQCLSA-N 2 0 297.443 0.846 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001282220670 904433640 /nfs/dbraw/zinc/43/36/40/904433640.db2.gz UJWRNHYVGKRDSI-OLZOCXBDSA-N 2 0 263.385 0.588 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001316623258 904652910 /nfs/dbraw/zinc/65/29/10/904652910.db2.gz TYNWSIOILGACIR-OKILXGFUSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001283071717 904690765 /nfs/dbraw/zinc/69/07/65/904690765.db2.gz NSDHLTVSKUKLHJ-IHRRRGAJSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCN1CC#C ZINC001283187843 904738192 /nfs/dbraw/zinc/73/81/92/904738192.db2.gz AMCKUAYNMYURGO-GJZGRUSLSA-N 2 0 275.396 0.592 20 30 CCEDRP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001283755907 904997679 /nfs/dbraw/zinc/99/76/79/904997679.db2.gz KOYCMUFGQYLFAS-LSDHHAIUSA-N 2 0 297.443 0.892 20 30 CCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001283796211 905017977 /nfs/dbraw/zinc/01/79/77/905017977.db2.gz HXLVSLSBTRHLTE-HUUCEWRRSA-N 2 0 295.427 0.198 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC001295283988 906704402 /nfs/dbraw/zinc/70/44/02/906704402.db2.gz NIJOXNTUJCLLJE-QLFBSQMISA-N 2 0 295.427 0.814 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001491605464 907487178 /nfs/dbraw/zinc/48/71/78/907487178.db2.gz MGWKFYZEQGNOOL-ZDUSSCGKSA-N 2 0 291.399 0.176 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492044946 907682753 /nfs/dbraw/zinc/68/27/53/907682753.db2.gz YFBULSNQIFDUGR-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCn1cc(CNC[C@@H](O)C[NH+]2CCCC2)cn1 ZINC001336825157 907997444 /nfs/dbraw/zinc/99/74/44/907997444.db2.gz CMWMMQMJTAMJOR-CQSZACIVSA-N 2 0 262.357 0.063 20 30 CCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316744162 908564264 /nfs/dbraw/zinc/56/42/64/908564264.db2.gz MFDNIWKXRKYDDZ-CABCVRRESA-N 2 0 295.427 0.552 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001313439512 908667998 /nfs/dbraw/zinc/66/79/98/908667998.db2.gz XWEFJVBPEJGHPN-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865547 908810041 /nfs/dbraw/zinc/81/00/41/908810041.db2.gz LZTDFPKKEOCFMW-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317152047 909019193 /nfs/dbraw/zinc/01/91/93/909019193.db2.gz CHALKABBQQXLTQ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317445544 909213734 /nfs/dbraw/zinc/21/37/34/909213734.db2.gz AKFNEAFDCNASSC-AWEZNQCLSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317491324 909260907 /nfs/dbraw/zinc/26/09/07/909260907.db2.gz UUQVQDAVNQGVCW-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317529562 909295984 /nfs/dbraw/zinc/29/59/84/909295984.db2.gz YKPGEVJAQVHFSV-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318147943 909644290 /nfs/dbraw/zinc/64/42/90/909644290.db2.gz ANDWXEUFRMKVGJ-UHFFFAOYSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001318561240 909813663 /nfs/dbraw/zinc/81/36/63/909813663.db2.gz HEOYSYHAWURCOS-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001318594683 909833503 /nfs/dbraw/zinc/83/35/03/909833503.db2.gz JOEXFZKOFQCWCT-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319198380 910033769 /nfs/dbraw/zinc/03/37/69/910033769.db2.gz VAJHJJOJUILBJC-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001319286363 910070779 /nfs/dbraw/zinc/07/07/79/910070779.db2.gz VMMZTDDGNCFPTI-OAHLLOKOSA-N 2 0 289.423 0.697 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001321897420 911561641 /nfs/dbraw/zinc/56/16/41/911561641.db2.gz TXAGFXRWPZSTFY-QWHCGFSZSA-N 2 0 274.368 0.563 20 30 CCEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001328038386 914937011 /nfs/dbraw/zinc/93/70/11/914937011.db2.gz GRWRWKJBXIJPGY-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001329148887 915708751 /nfs/dbraw/zinc/70/87/51/915708751.db2.gz GNTOUNVECDICOR-CHWSQXEVSA-N 2 0 283.416 0.766 20 30 CCEDRP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329441911 915917952 /nfs/dbraw/zinc/91/79/52/915917952.db2.gz POHHZPMMEMMZAK-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330039026 916376474 /nfs/dbraw/zinc/37/64/74/916376474.db2.gz PTINXDIAHGYFCP-ZDUSSCGKSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001330432931 916626457 /nfs/dbraw/zinc/62/64/57/916626457.db2.gz YRXBFKDPWVHQLO-UKRRQHHQSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001330445104 916635062 /nfs/dbraw/zinc/63/50/62/916635062.db2.gz JMVUXQJQKBHLOU-KGLIPLIRSA-N 2 0 281.400 0.165 20 30 CCEDRP C#CC[N@H+](C)CCOCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001331161267 917137995 /nfs/dbraw/zinc/13/79/95/917137995.db2.gz OFHSKLNUWBZXQE-AWEZNQCLSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001331325123 917267143 /nfs/dbraw/zinc/26/71/43/917267143.db2.gz NADWROQTNHFYLZ-CYBMUJFWSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001331643435 917474407 /nfs/dbraw/zinc/47/44/07/917474407.db2.gz HZFOIUOFOQFSPT-CQSZACIVSA-N 2 0 275.396 0.401 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001331941908 917738829 /nfs/dbraw/zinc/73/88/29/917738829.db2.gz ZRLMDFMPWYRJOJ-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[NH2+]C1 ZINC001333748347 919135987 /nfs/dbraw/zinc/13/59/87/919135987.db2.gz CVYIZWSNCFSFLA-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001335686402 920367829 /nfs/dbraw/zinc/36/78/29/920367829.db2.gz BLRLLKJMMJPRDO-UHFFFAOYSA-N 2 0 278.400 0.511 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]CC2(C)C)CCC[NH2+]1 ZINC001342110890 922808022 /nfs/dbraw/zinc/80/80/22/922808022.db2.gz HJSCMZZYEJFPJS-SMDDNHRTSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001342340174 922917370 /nfs/dbraw/zinc/91/73/70/922917370.db2.gz SXCLTCJRKLOBSQ-ZIAGYGMSSA-N 2 0 295.427 0.945 20 30 CCEDRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001342999077 923158909 /nfs/dbraw/zinc/15/89/09/923158909.db2.gz BOLUCHYHMZHVPC-IHRRRGAJSA-N 2 0 261.369 0.328 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC1CC[NH+](CC)CC1 ZINC001343432780 923311810 /nfs/dbraw/zinc/31/18/10/923311810.db2.gz VDAAPNRWMJPXNV-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001349823694 925072177 /nfs/dbraw/zinc/07/21/77/925072177.db2.gz OLUNANNWQNDLJT-AWEZNQCLSA-N 2 0 296.415 0.361 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001448875858 931014447 /nfs/dbraw/zinc/01/44/47/931014447.db2.gz YOEIULVKCBWJMN-LSDHHAIUSA-N 2 0 294.443 0.341 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001450063737 931227312 /nfs/dbraw/zinc/22/73/12/931227312.db2.gz HREHQGDNPXDUNJ-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602534956 362664852 /nfs/dbraw/zinc/66/48/52/362664852.db2.gz WPZUGSGIVYWEGH-WDEREUQCSA-N 2 0 250.346 0.408 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602534953 362664840 /nfs/dbraw/zinc/66/48/40/362664840.db2.gz WPZUGSGIVYWEGH-GHMZBOCLSA-N 2 0 250.346 0.408 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000563816361 358558295 /nfs/dbraw/zinc/55/82/95/358558295.db2.gz LNDMYQHNYGBWJZ-NSHDSACASA-N 2 0 282.388 0.448 20 30 CCEDRP Cc1[nH]c(C#N)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569187842 358740654 /nfs/dbraw/zinc/74/06/54/358740654.db2.gz OUPQTOBMNRSZDS-UHFFFAOYSA-N 2 0 291.399 0.760 20 30 CCEDRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000592143764 359764623 /nfs/dbraw/zinc/76/46/23/359764623.db2.gz MSFPDZBNQVDOFG-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611194796 363679190 /nfs/dbraw/zinc/67/91/90/363679190.db2.gz NJYPCIZBAYEBIO-MRXNPFEDSA-N 2 0 279.428 0.737 20 30 CCEDRP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594436673 360306290 /nfs/dbraw/zinc/30/62/90/360306290.db2.gz PNJMHSQLGMRHBZ-AWEZNQCLSA-N 2 0 296.415 0.578 20 30 CCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426683 360301106 /nfs/dbraw/zinc/30/11/06/360301106.db2.gz RBUKKROBVKFWLO-NWDGAFQWSA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000594426615 360301331 /nfs/dbraw/zinc/30/13/31/360301331.db2.gz PWNQNKWGKMLWIS-NWDGAFQWSA-N 2 0 252.362 0.656 20 30 CCEDRP C[NH+](C)CCn1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)cn1 ZINC000594438220 360307568 /nfs/dbraw/zinc/30/75/68/360307568.db2.gz NFMDPLVKUWFQJV-ZDUSSCGKSA-N 2 0 292.387 0.794 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@@H]1[NH3+] ZINC000594441487 360309986 /nfs/dbraw/zinc/30/99/86/360309986.db2.gz JJKXDFCKRNTDSF-AGIUHOORSA-N 2 0 266.389 0.983 20 30 CCEDRP C=CCN1CCC([NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634959823 372311690 /nfs/dbraw/zinc/31/16/90/372311690.db2.gz BZSRHGBYJWCHNP-LBPRGKRZSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000491764397 262015753 /nfs/dbraw/zinc/01/57/53/262015753.db2.gz AGTBVVDHOJRPLN-ZDUSSCGKSA-N 2 0 266.389 0.322 20 30 CCEDRP C=CCNC(=O)CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000575049679 335058939 /nfs/dbraw/zinc/05/89/39/335058939.db2.gz KNFUKCRQGWLTTA-OAHLLOKOSA-N 2 0 294.443 0.296 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000104191959 389080399 /nfs/dbraw/zinc/08/03/99/389080399.db2.gz LWBAWOWZDOZQKW-CYBMUJFWSA-N 2 0 295.431 0.410 20 30 CCEDRP O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339782859 389139887 /nfs/dbraw/zinc/13/98/87/389139887.db2.gz ZRYWDIGFXOTBDE-HZPDHXFCSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000125364957 389165500 /nfs/dbraw/zinc/16/55/00/389165500.db2.gz FTLFIQYNOSALSY-TUAOUCFPSA-N 2 0 280.372 0.057 20 30 CCEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000262475826 389287274 /nfs/dbraw/zinc/28/72/74/389287274.db2.gz BWXVRSUNYZMOIG-GXTWGEPZSA-N 2 0 290.415 0.694 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc(C)cn1 ZINC000267432924 389371261 /nfs/dbraw/zinc/37/12/61/389371261.db2.gz MYIVMEFTLSFXMZ-ZDUSSCGKSA-N 2 0 278.404 0.580 20 30 CCEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000269498335 389423493 /nfs/dbraw/zinc/42/34/93/389423493.db2.gz WBHMBWCZYGHQKW-OAHLLOKOSA-N 2 0 287.411 0.975 20 30 CCEDRP COCCNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712285 389662620 /nfs/dbraw/zinc/66/26/20/389662620.db2.gz DOVGMYXUQKMIBN-UHFFFAOYSA-N 2 0 291.399 0.849 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)C1CCN(CC)CC1 ZINC000491513300 390114305 /nfs/dbraw/zinc/11/43/05/390114305.db2.gz BKEFTHYXVQXMIV-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000491643020 390115445 /nfs/dbraw/zinc/11/54/45/390115445.db2.gz CZLSWVBJFLYWMT-CQSZACIVSA-N 2 0 266.389 0.322 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000491643019 390115482 /nfs/dbraw/zinc/11/54/82/390115482.db2.gz CZLSWVBJFLYWMT-AWEZNQCLSA-N 2 0 266.389 0.322 20 30 CCEDRP C=CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000647799520 390175476 /nfs/dbraw/zinc/17/54/76/390175476.db2.gz IMLMEOMBHYPDKJ-RWMBFGLXSA-N 2 0 261.373 0.942 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814276 390589795 /nfs/dbraw/zinc/58/97/95/390589795.db2.gz MXZQLQDRQWHIBZ-KBPBESRZSA-N 2 0 293.411 0.461 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C#N)c[nH]1 ZINC000530641837 390876743 /nfs/dbraw/zinc/87/67/43/390876743.db2.gz VKXPVCIHTRBVNQ-UHFFFAOYSA-N 2 0 277.372 0.452 20 30 CCEDRP C[C@H](O)C[NH+](CC#CC[N@@H+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653901987 412363579 /nfs/dbraw/zinc/36/35/79/412363579.db2.gz HWMBFBJAYINYHT-KBPBESRZSA-N 2 0 280.412 0.680 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662765360 414772802 /nfs/dbraw/zinc/77/28/02/414772802.db2.gz FWEUNETWEFECOM-GJZGRUSLSA-N 2 0 263.385 0.897 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662696892 414742796 /nfs/dbraw/zinc/74/27/96/414742796.db2.gz YGBAUKIMYCHESV-AWEZNQCLSA-N 2 0 251.374 0.895 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000665029028 415511576 /nfs/dbraw/zinc/51/15/76/415511576.db2.gz ONUKWRCCVIKZPZ-KGLIPLIRSA-N 2 0 298.431 0.513 20 30 CCEDRP C[C@@H]1C[NH+](CC#CC[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000342119819 263389678 /nfs/dbraw/zinc/38/96/78/263389678.db2.gz CZCLYBUTMYOSGQ-FPCVCCKLSA-N 2 0 280.412 0.395 20 30 CCEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000332729559 290174882 /nfs/dbraw/zinc/17/48/82/290174882.db2.gz VDJVSIOPNKGTSQ-BFHYXJOUSA-N 2 0 278.400 0.950 20 30 CCEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)NC[C@H]1CCCO1 ZINC000066245409 295005936 /nfs/dbraw/zinc/00/59/36/295005936.db2.gz KFTALGGJVGZNRO-CYBMUJFWSA-N 2 0 268.405 0.946 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261752374 328140958 /nfs/dbraw/zinc/14/09/58/328140958.db2.gz LZDLHDSTVDXAGH-AAEUAGOBSA-N 2 0 290.415 0.568 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000424074193 330220447 /nfs/dbraw/zinc/22/04/47/330220447.db2.gz GRRWBNLFNYBDDB-SDDRHHMPSA-N 2 0 252.362 0.641 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000424077393 330221024 /nfs/dbraw/zinc/22/10/24/330221024.db2.gz NZVBHIUIMCFIRP-STQMWFEESA-N 2 0 260.341 0.824 20 30 CCEDRP CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[NH2+]C1 ZINC000424078899 330221509 /nfs/dbraw/zinc/22/15/09/330221509.db2.gz QPLHEAKEBYQCSK-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)[C@@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCSC1 ZINC000424127972 330259559 /nfs/dbraw/zinc/25/95/59/330259559.db2.gz DXYZCNDUKWJZOS-DGCLKSJQSA-N 2 0 284.429 0.561 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424141605 330283327 /nfs/dbraw/zinc/28/33/27/330283327.db2.gz GQWDAMQXAHYJGJ-RAIGVLPGSA-N 2 0 264.373 0.606 20 30 CCEDRP C[C@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCC[NH2+]C1 ZINC000424161325 330306854 /nfs/dbraw/zinc/30/68/54/330306854.db2.gz YAMBXLDLOGMZKX-AAEUAGOBSA-N 2 0 252.362 0.513 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@]1(C)C[NH3+] ZINC000424194842 330324497 /nfs/dbraw/zinc/32/44/97/330324497.db2.gz MEDKDRWLIRDPGY-NQBHXWOUSA-N 2 0 252.362 0.451 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000424199187 330326192 /nfs/dbraw/zinc/32/61/92/330326192.db2.gz QAYWEQDDMSSGHK-RDBSUJKOSA-N 2 0 278.400 0.998 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000491166892 332160310 /nfs/dbraw/zinc/16/03/10/332160310.db2.gz VCCKCWVLKGZDGC-OAHLLOKOSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[N@@H+](C)CCCNS(=O)(=O)CC[NH+](CC)CC ZINC000491200518 332164299 /nfs/dbraw/zinc/16/42/99/332164299.db2.gz AGLFGGMHALMWED-UHFFFAOYSA-N 2 0 289.445 0.203 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000491265899 332177089 /nfs/dbraw/zinc/17/70/89/332177089.db2.gz NDZDIVVWPIKULO-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000491473161 332217502 /nfs/dbraw/zinc/21/75/02/332217502.db2.gz BGUJHXAAZGECDR-HNNXBMFYSA-N 2 0 294.443 0.971 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000491711198 332302712 /nfs/dbraw/zinc/30/27/12/332302712.db2.gz ZZQAJBSWLCPUHG-LBPRGKRZSA-N 2 0 254.378 0.191 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000491728388 332311046 /nfs/dbraw/zinc/31/10/46/332311046.db2.gz MHHFHHPGLLMFSH-GJZGRUSLSA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000491738718 332318501 /nfs/dbraw/zinc/31/85/01/332318501.db2.gz CNEHQHURPYJMSE-GASCZTMLSA-N 2 0 292.427 0.583 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000491763819 332332699 /nfs/dbraw/zinc/33/26/99/332332699.db2.gz ACZXNAVDMFQVBK-CYBMUJFWSA-N 2 0 268.405 0.614 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+](CC)CC2CCC2)CC1 ZINC000491794278 332354045 /nfs/dbraw/zinc/35/40/45/332354045.db2.gz PTLVBBHMODJNFG-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000581994972 336186899 /nfs/dbraw/zinc/18/68/99/336186899.db2.gz AEGXPFVFNLLDGA-ZDUSSCGKSA-N 2 0 292.383 0.301 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730281696 581691188 /nfs/dbraw/zinc/69/11/88/581691188.db2.gz SOATZUNWFOAFEW-KFWWJZLASA-N 2 0 291.395 0.063 20 30 CCEDRP NC(=[NH2+])N=NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000751126760 582070588 /nfs/dbraw/zinc/07/05/88/582070588.db2.gz DHWGJQHXSWWZRZ-UHFFFAOYSA-N 2 0 267.377 0.738 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000841910457 613074569 /nfs/dbraw/zinc/07/45/69/613074569.db2.gz RFUWFVPUYXNONW-KGLIPLIRSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000911667407 612956714 /nfs/dbraw/zinc/95/67/14/612956714.db2.gz QLNNAXRCVSJQNA-GFCCVEGCSA-N 2 0 261.325 0.034 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000876799663 613388066 /nfs/dbraw/zinc/38/80/66/613388066.db2.gz IZBPRNGLQLTCMI-PWSUYJOCSA-N 2 0 259.781 0.962 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000876776499 613389973 /nfs/dbraw/zinc/38/99/73/613389973.db2.gz OLUPNYOMSNYODP-NEPJUHHUSA-N 2 0 291.823 0.929 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965841659 612954150 /nfs/dbraw/zinc/95/41/50/612954150.db2.gz JRECOSOFUSMBDW-DPGVGJJJSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461904 612958663 /nfs/dbraw/zinc/95/86/63/612958663.db2.gz NOCAGINDLXYODO-KGLIPLIRSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000969723357 612963569 /nfs/dbraw/zinc/96/35/69/612963569.db2.gz VXITXWUUDMDOJW-MELADBBJSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC000972860303 613038118 /nfs/dbraw/zinc/03/81/18/613038118.db2.gz PORVCVRIVVRTCF-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000823187429 613073273 /nfs/dbraw/zinc/07/32/73/613073273.db2.gz FKNCSIRMSJXLPB-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841910399 613076899 /nfs/dbraw/zinc/07/68/99/613076899.db2.gz POFWPYKBUYQXRX-ZDUSSCGKSA-N 2 0 266.389 0.383 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551417 613092944 /nfs/dbraw/zinc/09/29/44/613092944.db2.gz JCKQXYQDDRCWIW-GJZGRUSLSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000920446773 613128317 /nfs/dbraw/zinc/12/83/17/613128317.db2.gz BEEVYKCACYZILI-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000928654713 613135944 /nfs/dbraw/zinc/13/59/44/613135944.db2.gz AOTKUFGEVUBMTE-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878660027 613164440 /nfs/dbraw/zinc/16/44/40/613164440.db2.gz BEFARYSMBGHWFH-CQSZACIVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151531 613223817 /nfs/dbraw/zinc/22/38/17/613223817.db2.gz ABPHDYFEEUTISA-UONOGXRCSA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[NH2+]CCOC2)CC1 ZINC000925609113 613304590 /nfs/dbraw/zinc/30/45/90/613304590.db2.gz OYONJALBFNYNPH-AWEZNQCLSA-N 2 0 253.390 0.605 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961598539 613316566 /nfs/dbraw/zinc/31/65/66/613316566.db2.gz OJMUYDRUMTYVFB-BTFPBAQTSA-N 2 0 275.396 0.396 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908611058 613363591 /nfs/dbraw/zinc/36/35/91/613363591.db2.gz XFGRGUOITULQLQ-UHFFFAOYSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912320445 613363607 /nfs/dbraw/zinc/36/36/07/613363607.db2.gz AZKQREJCSMHJLD-UHFFFAOYSA-N 2 0 251.374 0.801 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000911543759 613364402 /nfs/dbraw/zinc/36/44/02/613364402.db2.gz DLDYNHQDIBFVTE-ZDUSSCGKSA-N 2 0 296.415 0.073 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000907452755 613365145 /nfs/dbraw/zinc/36/51/45/613365145.db2.gz QMAGJADAGUYBAV-HNNXBMFYSA-N 2 0 296.459 0.637 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000900623796 613365416 /nfs/dbraw/zinc/36/54/16/613365416.db2.gz LOLFVBSPSXWVPE-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000876502488 613387478 /nfs/dbraw/zinc/38/74/78/613387478.db2.gz AXOVYIHKENUUEL-WDEREUQCSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000876780778 613387987 /nfs/dbraw/zinc/38/79/87/613387987.db2.gz BGTHCWRVDPODRQ-NWDGAFQWSA-N 2 0 288.823 0.208 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877003995 613388399 /nfs/dbraw/zinc/38/83/99/613388399.db2.gz FJLZAPCIVUDASL-ZJUUUORDSA-N 2 0 257.765 0.857 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000876764903 613389727 /nfs/dbraw/zinc/38/97/27/613389727.db2.gz XJABGONSCFMDSM-NSHDSACASA-N 2 0 289.807 0.683 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774354 613470055 /nfs/dbraw/zinc/47/00/55/613470055.db2.gz HCVQGOXIJJTVRW-CYBMUJFWSA-N 2 0 268.405 0.034 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970869940 613663367 /nfs/dbraw/zinc/66/33/67/613663367.db2.gz RXJMJMLCPQLKSR-NEPJUHHUSA-N 2 0 251.374 0.561 20 30 CCEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000963176195 613859559 /nfs/dbraw/zinc/85/95/59/613859559.db2.gz BDJZYMFYRLRDIW-YMAMQOFZSA-N 2 0 295.427 0.862 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]1 ZINC000884266856 614268563 /nfs/dbraw/zinc/26/85/63/614268563.db2.gz LAQKMSDXOJVSQA-MYMJJRTCSA-N 2 0 290.411 0.582 20 30 CCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852798525 614287063 /nfs/dbraw/zinc/28/70/63/614287063.db2.gz KWDOATBHEFDQEX-AWEZNQCLSA-N 2 0 251.374 0.479 20 30 CCEDRP CC[NH+](CC)CCOCCNC(NC1CC1)=[NH+]C ZINC000849018095 614997401 /nfs/dbraw/zinc/99/74/01/614997401.db2.gz BLQMLPHXIZHFKR-UHFFFAOYSA-N 2 0 256.394 0.672 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864707 615115485 /nfs/dbraw/zinc/11/54/85/615115485.db2.gz FKIZQEJZJIVRHX-HNNXBMFYSA-N 2 0 277.412 0.980 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155045 615131210 /nfs/dbraw/zinc/13/12/10/615131210.db2.gz KDSYUNUDXYPHCU-GFCCVEGCSA-N 3 0 269.437 0.715 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852854401 615132163 /nfs/dbraw/zinc/13/21/63/615132163.db2.gz HIBLDMUKVQWRSS-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCC(C)C)CC1 ZINC000104174661 615159968 /nfs/dbraw/zinc/15/99/68/615159968.db2.gz ATEYIGOZOJYFBE-CQSZACIVSA-N 2 0 283.464 0.820 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)CC1CC[NH+](C)CC1 ZINC000913520860 615857616 /nfs/dbraw/zinc/85/76/16/615857616.db2.gz APSJGHKFUOLDGA-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C[NH+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876707980 615881907 /nfs/dbraw/zinc/88/19/07/615881907.db2.gz VDHYMPHUTVFEPW-HNNXBMFYSA-N 2 0 286.379 0.813 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001026420561 625440268 /nfs/dbraw/zinc/44/02/68/625440268.db2.gz IZDNEKNAEFQDRR-SOUVJXGZSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001026593659 625478359 /nfs/dbraw/zinc/47/83/59/625478359.db2.gz ZJTIFHSJFZZEOY-UHFFFAOYSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001026605467 625480309 /nfs/dbraw/zinc/48/03/09/625480309.db2.gz PYDVGMCENBZQLE-HSBZDZAISA-N 2 0 263.385 0.588 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000083102186 623090824 /nfs/dbraw/zinc/09/08/24/623090824.db2.gz ROKJIVBGYLXXFM-QWHCGFSZSA-N 2 0 279.432 0.340 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026894266 625654823 /nfs/dbraw/zinc/65/48/23/625654823.db2.gz YYFILDMYAWYEAU-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)NC1CC1 ZINC000171612930 623821016 /nfs/dbraw/zinc/82/10/16/623821016.db2.gz KISWHIZHIBQKQR-LBPRGKRZSA-N 2 0 254.378 0.425 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020720931 624586324 /nfs/dbraw/zinc/58/63/24/624586324.db2.gz GZTSTCXVFXRTMH-TUVASFSCSA-N 2 0 275.396 0.873 20 30 CCEDRP C[NH+]=C(NCCN1CCC1)N(C)Cc1ccon1 ZINC000261782620 624821373 /nfs/dbraw/zinc/82/13/73/624821373.db2.gz PMCCPOZQMGMNCU-UHFFFAOYSA-N 2 0 251.334 0.388 20 30 CCEDRP C=CCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303370671 632484655 /nfs/dbraw/zinc/48/46/55/632484655.db2.gz KKBAHAFWKPYPTJ-UHFFFAOYSA-N 2 0 253.394 0.104 20 30 CCEDRP CCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303889980 632492947 /nfs/dbraw/zinc/49/29/47/632492947.db2.gz PTURYPKEGQOWHA-LBPRGKRZSA-N 2 0 255.410 0.184 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C)no1 ZINC000303989821 632503499 /nfs/dbraw/zinc/50/34/99/632503499.db2.gz XXQULIYOCOQCTF-LLVKDONJSA-N 2 0 280.376 0.309 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989605264 633335635 /nfs/dbraw/zinc/33/56/35/633335635.db2.gz JWAJILYRKFCISV-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995551893 638776099 /nfs/dbraw/zinc/77/60/99/638776099.db2.gz OTZQTBPRXBEUPL-OLZOCXBDSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008930 638848232 /nfs/dbraw/zinc/84/82/32/638848232.db2.gz NFWCVHFKEYNQNB-GXTWGEPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999681315 638990239 /nfs/dbraw/zinc/99/02/39/638990239.db2.gz DGHPHYWNRXXTOB-HSBZDZAISA-N 2 0 263.385 0.540 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 ZINC001000458771 639090957 /nfs/dbraw/zinc/09/09/57/639090957.db2.gz BVJJGENJCLCPER-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000920356 639194629 /nfs/dbraw/zinc/19/46/29/639194629.db2.gz UKBWQIGNZGLBOW-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002118719 639369116 /nfs/dbraw/zinc/36/91/16/639369116.db2.gz SASDJQBRAKMLCL-CQSZACIVSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091756 650527602 /nfs/dbraw/zinc/52/76/02/650527602.db2.gz YGFVDBBWOXIGKD-AWEZNQCLSA-N 2 0 275.396 0.829 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000923412405 640127799 /nfs/dbraw/zinc/12/77/99/640127799.db2.gz VSZBSWYLJMTBEF-YUELXQCFSA-N 2 0 289.379 0.825 20 30 CCEDRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000831971317 642424363 /nfs/dbraw/zinc/42/43/63/642424363.db2.gz VFJAXYZLGSDJAH-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834484346 642574984 /nfs/dbraw/zinc/57/49/84/642574984.db2.gz HMJAHQVCZOCODN-CCCUQBDLSA-N 2 0 262.357 0.135 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016930013 650772201 /nfs/dbraw/zinc/77/22/01/650772201.db2.gz HXAYFVWFXMIYTH-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000852097330 643927874 /nfs/dbraw/zinc/92/78/74/643927874.db2.gz ONQYRBPUVOUKKS-HNNXBMFYSA-N 2 0 265.401 0.978 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000852860292 644028827 /nfs/dbraw/zinc/02/88/27/644028827.db2.gz OXRBTFBSDZJCRG-GJZGRUSLSA-N 2 0 275.396 0.732 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869244 644033522 /nfs/dbraw/zinc/03/35/22/644033522.db2.gz AAZDRMPCQDYJHV-ZDUSSCGKSA-N 2 0 263.385 0.447 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019652830 650995997 /nfs/dbraw/zinc/99/59/97/650995997.db2.gz XRQZTBYCEPMKAY-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178647 651046886 /nfs/dbraw/zinc/04/68/86/651046886.db2.gz AMVCMXUCLYYNIJ-XDQVBPFNSA-N 2 0 279.384 0.272 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001020149842 651044571 /nfs/dbraw/zinc/04/45/71/651044571.db2.gz FDTBHMGSMHAJCE-AJNGGQMLSA-N 2 0 275.396 0.731 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCc1cccc2c1CC[NH2+]C2 ZINC000877142346 646741203 /nfs/dbraw/zinc/74/12/03/646741203.db2.gz SAGALRWQHNKKKX-UHFFFAOYSA-N 2 0 297.402 0.952 20 30 CCEDRP O=C(C#CC1CC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199194 646755081 /nfs/dbraw/zinc/75/50/81/646755081.db2.gz IFGGBTCFFQZLHK-UHFFFAOYSA-N 2 0 270.336 0.843 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877340708 646799002 /nfs/dbraw/zinc/79/90/02/646799002.db2.gz MJVHTJYXDVBYLY-CABCVRRESA-N 2 0 286.379 0.838 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877386164 646807549 /nfs/dbraw/zinc/80/75/49/646807549.db2.gz GPIHPEBXGMODJP-UKRRQHHQSA-N 2 0 261.369 0.390 20 30 CCEDRP C[C@@](C[NH3+])(NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884031447 647618257 /nfs/dbraw/zinc/61/82/57/647618257.db2.gz PFWLEFBVNUFIRN-VKAVAODPSA-N 2 0 276.384 0.369 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCCC1)C2 ZINC000884180213 647659813 /nfs/dbraw/zinc/65/98/13/647659813.db2.gz QBLCMSUBWGBYDO-JVWICGRDSA-N 2 0 276.384 0.338 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C2 ZINC000884237535 647674939 /nfs/dbraw/zinc/67/49/39/647674939.db2.gz FYZHHBDDLCZPMP-BXJLINQZSA-N 2 0 288.395 0.479 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884287011 647695804 /nfs/dbraw/zinc/69/58/04/647695804.db2.gz QTSAERIXRDVEBO-HCRRJHMNSA-N 2 0 290.411 0.628 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]CCC1(F)F)C2 ZINC000884299527 647702384 /nfs/dbraw/zinc/70/23/84/647702384.db2.gz WPXVKPFYHNLOQU-ZUXSNHBTSA-N 2 0 298.337 0.239 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303771603 649824358 /nfs/dbraw/zinc/82/43/58/649824358.db2.gz CSVOIETUNRGRRO-STQMWFEESA-N 2 0 286.420 0.282 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCOC ZINC000303868668 649826025 /nfs/dbraw/zinc/82/60/25/649826025.db2.gz DKNFAUKXFGYBJA-LBPRGKRZSA-N 2 0 272.393 0.038 20 30 CCEDRP CN(C)C(=[NH+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000303973136 649827467 /nfs/dbraw/zinc/82/74/67/649827467.db2.gz GREAOOWHSGJAGY-GFCCVEGCSA-N 2 0 283.420 0.053 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303987302 649827938 /nfs/dbraw/zinc/82/79/38/649827938.db2.gz VHMHGXOYFMIPEV-ZDUSSCGKSA-N 2 0 286.420 0.428 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305015465 649840596 /nfs/dbraw/zinc/84/05/96/649840596.db2.gz LUNZYHYXKXCEOP-KBPBESRZSA-N 2 0 298.431 0.571 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266398844 790636622 /nfs/dbraw/zinc/63/66/22/790636622.db2.gz FFHRWIIOKMCHCL-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001266439755 790709139 /nfs/dbraw/zinc/70/91/39/790709139.db2.gz WBHCTRQFKNMNPH-STQMWFEESA-N 2 0 253.390 0.997 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232859 790725302 /nfs/dbraw/zinc/72/53/02/790725302.db2.gz SEONFTRZNOWBDY-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266619293 791044797 /nfs/dbraw/zinc/04/47/97/791044797.db2.gz HHMNQCHZYONKLD-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCC[NH+](C)C ZINC001277684455 805959878 /nfs/dbraw/zinc/95/98/78/805959878.db2.gz JUDZCSYPNUKSHN-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267011683 791441240 /nfs/dbraw/zinc/44/12/40/791441240.db2.gz BGNOLYROQOHBCZ-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022936 807121542 /nfs/dbraw/zinc/12/15/42/807121542.db2.gz RACFIZQQWLRHNI-QWHCGFSZSA-N 2 0 260.353 0.703 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267255185 793252181 /nfs/dbraw/zinc/25/21/81/793252181.db2.gz BSUVIOIZBBLQPG-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277938967 806410868 /nfs/dbraw/zinc/41/08/68/806410868.db2.gz KMOMJBIDFVHICF-OKILXGFUSA-N 2 0 278.400 0.632 20 30 CCEDRP C=CC[NH2+]CCN(CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001235795736 806503089 /nfs/dbraw/zinc/50/30/89/806503089.db2.gz MDLGLVKTRHRRRT-CQSZACIVSA-N 2 0 255.406 0.853 20 30 CCEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121703239 799066225 /nfs/dbraw/zinc/06/62/25/799066225.db2.gz QINRGCXBUYJPAI-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC001122143861 799154633 /nfs/dbraw/zinc/15/46/33/799154633.db2.gz NBNUBHYXFSXVSU-MBNYWOFBSA-N 2 0 251.374 0.656 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1CC[NH3+] ZINC001122233691 799175081 /nfs/dbraw/zinc/17/50/81/799175081.db2.gz SHNMMLAWKMKDPV-UTUOFQBUSA-N 2 0 252.362 0.451 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001122447469 799237545 /nfs/dbraw/zinc/23/75/45/799237545.db2.gz FPQTXWPBYFYBIX-IHRRRGAJSA-N 2 0 282.432 0.421 20 30 CCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001278165616 806737271 /nfs/dbraw/zinc/73/72/71/806737271.db2.gz XQTCCZBRPJGMCY-LSDHHAIUSA-N 2 0 295.427 0.341 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192694 800323409 /nfs/dbraw/zinc/32/34/09/800323409.db2.gz JDGKTZSJYNTIGL-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150225774 800324521 /nfs/dbraw/zinc/32/45/21/800324521.db2.gz UTFBSURUXPQWJD-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392540 800516846 /nfs/dbraw/zinc/51/68/46/800516846.db2.gz OXGCIUDSRXPICI-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC#C ZINC001153891114 800686943 /nfs/dbraw/zinc/68/69/43/800686943.db2.gz MBURNLHYRFWQTG-CABCVRRESA-N 2 0 275.396 0.544 20 30 CCEDRP CN1CCC(CNc2cnc(C#N)c(C#N)n2)([NH+](C)C)CC1 ZINC001156184858 801123793 /nfs/dbraw/zinc/12/37/93/801123793.db2.gz GIJMWKHGOHVGGB-UHFFFAOYSA-N 2 0 299.382 0.658 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890463 801254222 /nfs/dbraw/zinc/25/42/22/801254222.db2.gz LWZGGDXYPXNHRY-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168703 801581847 /nfs/dbraw/zinc/58/18/47/801581847.db2.gz XNMIOVNHWRCKMM-QLFBSQMISA-N 2 0 295.427 0.897 20 30 CCEDRP COc1nc(N[C@H]([NH3+])CCC[NH3+])c(F)cc1C#N ZINC001159786835 801872131 /nfs/dbraw/zinc/87/21/31/801872131.db2.gz LELUTQNPUDQDGY-VIFPVBQESA-N 2 0 253.281 0.537 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159916262 801889876 /nfs/dbraw/zinc/88/98/76/801889876.db2.gz QENYWWRTSGHMMU-AWEZNQCLSA-N 2 0 281.400 0.072 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC001160483768 801948941 /nfs/dbraw/zinc/94/89/41/801948941.db2.gz WTSWHKUDJNKUHN-AWEZNQCLSA-N 2 0 295.431 0.103 20 30 CCEDRP N#C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160642729 801986850 /nfs/dbraw/zinc/98/68/50/801986850.db2.gz LVIXAPULHUMIKD-CMPLNLGQSA-N 2 0 250.346 0.075 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160826870 802023464 /nfs/dbraw/zinc/02/34/64/802023464.db2.gz PUKWKEFWFBFSAA-UHFFFAOYSA-N 2 0 263.385 0.592 20 30 CCEDRP C#CC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160913375 802046362 /nfs/dbraw/zinc/04/63/62/802046362.db2.gz XGNRVMCOEJLCHQ-AWEZNQCLSA-N 2 0 275.396 0.732 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161139402 802100033 /nfs/dbraw/zinc/10/00/33/802100033.db2.gz SMVPAXOYQUFBAF-SRVKXCTJSA-N 2 0 270.352 0.508 20 30 CCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N2CC[NH2+]C2)C1 ZINC001161418719 802151046 /nfs/dbraw/zinc/15/10/46/802151046.db2.gz MYIIZBSMZWLNOW-DOMZBBRYSA-N 2 0 284.363 0.468 20 30 CCEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220571669 811737377 /nfs/dbraw/zinc/73/73/77/811737377.db2.gz WYFZUXLBEQUEBY-UHIISALHSA-N 2 0 283.372 0.067 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576284 803035669 /nfs/dbraw/zinc/03/56/69/803035669.db2.gz BTBUNIVKQGHHOU-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCN(CC[N@@H+]1CCCC[C@@](O)(C[NH3+])C1)C(=O)OCC ZINC001205664094 803153180 /nfs/dbraw/zinc/15/31/80/803153180.db2.gz LKWDWBSAZIFOGR-OAHLLOKOSA-N 2 0 299.415 0.807 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208062761 803484170 /nfs/dbraw/zinc/48/41/70/803484170.db2.gz FZVUEOTUALNNKO-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208062762 803484732 /nfs/dbraw/zinc/48/47/32/803484732.db2.gz FZVUEOTUALNNKO-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408406 803602427 /nfs/dbraw/zinc/60/24/27/803602427.db2.gz NGNAKESNHDTYFN-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414332 803806741 /nfs/dbraw/zinc/80/67/41/803806741.db2.gz UDVXNGPJRYOJJX-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C ZINC001216584885 803847289 /nfs/dbraw/zinc/84/72/89/803847289.db2.gz OHVIMWMJLGPDCL-INMHGKMJSA-N 2 0 289.423 0.932 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(O)c1 ZINC001218990578 804176624 /nfs/dbraw/zinc/17/66/24/804176624.db2.gz CDYRPOKIDIISBM-VIFPVBQESA-N 2 0 280.353 0.222 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1C#N ZINC001218988431 804177368 /nfs/dbraw/zinc/17/73/68/804177368.db2.gz ZLAZRRNUTGQHLT-SNVBAGLBSA-N 2 0 272.312 0.017 20 30 CCEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219315071 804268238 /nfs/dbraw/zinc/26/82/38/804268238.db2.gz QOTKNSMKKJFWHB-VIFPVBQESA-N 2 0 292.289 0.584 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635468 804384500 /nfs/dbraw/zinc/38/45/00/804384500.db2.gz HVIFFBKRWUDRKO-IHRRRGAJSA-N 2 0 290.342 0.244 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697724 804408539 /nfs/dbraw/zinc/40/85/39/804408539.db2.gz XDCJIJMEQLREMX-LBPRGKRZSA-N 2 0 269.389 0.291 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651077 804642168 /nfs/dbraw/zinc/64/21/68/804642168.db2.gz ADIDIDRGESOZKI-INIZCTEOSA-N 2 0 286.379 0.063 20 30 CCEDRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001221239009 804753467 /nfs/dbraw/zinc/75/34/67/804753467.db2.gz GSFJPEOFDPATLL-KCQAQPDRSA-N 2 0 272.352 0.424 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367295 804788906 /nfs/dbraw/zinc/78/89/06/804788906.db2.gz PLTHYEJKNZGSTO-HZSPNIEDSA-N 2 0 290.342 0.244 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001221406788 804798373 /nfs/dbraw/zinc/79/83/73/804798373.db2.gz IKLIORMLIFHRGY-OBJOEFQTSA-N 2 0 251.374 0.572 20 30 CCEDRP C#CCCC1(CCNC(=O)[C@@H]([NH3+])CCC[NH3+])N=N1 ZINC001221409415 804810118 /nfs/dbraw/zinc/81/01/18/804810118.db2.gz NGQDBTJMKADICC-JTQLQIEISA-N 2 0 251.334 0.134 20 30 CCEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272172226 815036967 /nfs/dbraw/zinc/03/69/67/815036967.db2.gz MBYNPFVBCCZWDL-ZDUSSCGKSA-N 2 0 253.390 0.904 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791468 804845015 /nfs/dbraw/zinc/84/50/15/804845015.db2.gz MTIOABCSCNRXLA-HUUCEWRRSA-N 2 0 295.427 0.673 20 30 CCEDRP CC#CCN1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276910312 804984927 /nfs/dbraw/zinc/98/49/27/804984927.db2.gz YHNGIYFLQIUREE-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223706059 804986962 /nfs/dbraw/zinc/98/69/62/804986962.db2.gz JYPNGBSKVPYNRG-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[NH+]1CCCCC1 ZINC001224176228 805012671 /nfs/dbraw/zinc/01/26/71/805012671.db2.gz DSGQQFUHWRESDY-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228641 805114706 /nfs/dbraw/zinc/11/47/06/805114706.db2.gz SHWNFZDQXRTLJU-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001277209118 805354564 /nfs/dbraw/zinc/35/45/64/805354564.db2.gz LQBZLHDSVLLVCI-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075942197 815070521 /nfs/dbraw/zinc/07/05/21/815070521.db2.gz ZMSFEAUIPYROHT-RRFJBIMHSA-N 2 0 277.412 0.883 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246029271 807125442 /nfs/dbraw/zinc/12/54/42/807125442.db2.gz LMYCLNYTDJQDOB-MELADBBJSA-N 2 0 256.390 0.857 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168320786 815094605 /nfs/dbraw/zinc/09/46/05/815094605.db2.gz PELZVGJGZMYOSK-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246305083 807215591 /nfs/dbraw/zinc/21/55/91/807215591.db2.gz GPXCORMRRNAXET-KBPBESRZSA-N 2 0 295.427 0.945 20 30 CCEDRP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)NCC#CC[NH+](C)C ZINC001251708617 807697166 /nfs/dbraw/zinc/69/71/66/807697166.db2.gz URZNOFYRYXRGHI-HNNXBMFYSA-N 2 0 294.443 0.923 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001251896691 807739749 /nfs/dbraw/zinc/73/97/49/807739749.db2.gz LLUNPIGLFDQQCU-MRXNPFEDSA-N 2 0 282.428 0.955 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001251896188 807739817 /nfs/dbraw/zinc/73/98/17/807739817.db2.gz COWVFPXDHRVNNO-INIZCTEOSA-N 2 0 280.412 0.851 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001252455320 807871510 /nfs/dbraw/zinc/87/15/10/807871510.db2.gz ZUJUGFICHCBWFX-HNNXBMFYSA-N 2 0 277.368 0.767 20 30 CCEDRP [NH2+]=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC001252945101 807988777 /nfs/dbraw/zinc/98/87/77/807988777.db2.gz XSKAMMIUHSPWEJ-MRXNPFEDSA-N 2 0 299.378 0.752 20 30 CCEDRP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC001261177558 808920543 /nfs/dbraw/zinc/92/05/43/808920543.db2.gz WRURSSNPTIVBGO-VXGBXAGGSA-N 2 0 260.345 0.366 20 30 CCEDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261458536 808981208 /nfs/dbraw/zinc/98/12/08/808981208.db2.gz BUESEZPPYZDJCZ-STQMWFEESA-N 2 0 266.389 0.808 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCN(C)CC1 ZINC001261458525 808983611 /nfs/dbraw/zinc/98/36/11/808983611.db2.gz BRDHCTTWKXCYSV-KGLIPLIRSA-N 2 0 295.431 0.007 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242999 815267081 /nfs/dbraw/zinc/26/70/81/815267081.db2.gz ZDNKPGRZIUJCPO-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001263318699 809508954 /nfs/dbraw/zinc/50/89/54/809508954.db2.gz RTKIKOVROYCUNR-ZNMIVQPWSA-N 2 0 275.396 0.446 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264096843 809629353 /nfs/dbraw/zinc/62/93/53/809629353.db2.gz UJXDGCCEJWOHHM-KGLIPLIRSA-N 2 0 265.401 0.904 20 30 CCEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001264491284 809660288 /nfs/dbraw/zinc/66/02/88/809660288.db2.gz VOAMZKPJQXJKEH-LSDHHAIUSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265224592 809727773 /nfs/dbraw/zinc/72/77/73/809727773.db2.gz GMTJDISLJBBLRC-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265317270 809756583 /nfs/dbraw/zinc/75/65/83/809756583.db2.gz MHFKRJBISVJVQE-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265378406 809767654 /nfs/dbraw/zinc/76/76/54/809767654.db2.gz LBQDMNDHXJXXFL-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001265376678 809767904 /nfs/dbraw/zinc/76/79/04/809767904.db2.gz SHVWPZWSSUXIMD-HNNXBMFYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001265812883 809859972 /nfs/dbraw/zinc/85/99/72/809859972.db2.gz GHFQQKKRTULSJA-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266005165 809916360 /nfs/dbraw/zinc/91/63/60/809916360.db2.gz SFSVEURDVWDFAR-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266120436 809938802 /nfs/dbraw/zinc/93/88/02/809938802.db2.gz ZCGKAEBWQVMHER-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001266190086 809958814 /nfs/dbraw/zinc/95/88/14/809958814.db2.gz YISOFUMQUZUDMA-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038269866 811120036 /nfs/dbraw/zinc/12/00/36/811120036.db2.gz SNEOVKKGPHTFOT-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267483712 811367845 /nfs/dbraw/zinc/36/78/45/811367845.db2.gz CQPMTZZRTTVDNH-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP CC[C@@H](C(=O)NCC1CC([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001100683830 811368148 /nfs/dbraw/zinc/36/81/48/811368148.db2.gz UNTIIGVEIKEBBM-NRXISQOPSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267558603 811443250 /nfs/dbraw/zinc/44/32/50/811443250.db2.gz CMVRZJJEODCIAY-ZBFHGGJFSA-N 2 0 289.423 0.790 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001220062297 811714830 /nfs/dbraw/zinc/71/48/30/811714830.db2.gz UGOSHGQOUBYKKX-OCCSQVGLSA-N 2 0 251.374 0.718 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001267837827 811827556 /nfs/dbraw/zinc/82/75/56/811827556.db2.gz WCKKCIVSHLOGGV-HNNXBMFYSA-N 2 0 289.423 0.980 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268009135 811947439 /nfs/dbraw/zinc/94/74/39/811947439.db2.gz FYGVCZBGJSRXAA-LSDHHAIUSA-N 2 0 297.443 0.564 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268014623 811952325 /nfs/dbraw/zinc/95/23/25/811952325.db2.gz VMVMIRDKAJBJLI-LSDHHAIUSA-N 2 0 297.443 0.873 20 30 CCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893501 812125835 /nfs/dbraw/zinc/12/58/35/812125835.db2.gz XYVLOVGWXVLQSR-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214747 812368102 /nfs/dbraw/zinc/36/81/02/812368102.db2.gz WKMBFSHDHUGVSH-HUUCEWRRSA-N 2 0 277.412 0.692 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447197 812709757 /nfs/dbraw/zinc/70/97/57/812709757.db2.gz NMJWBQMLHHZPKS-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268711075 813026774 /nfs/dbraw/zinc/02/67/74/813026774.db2.gz YNHYAPAPYWZPIG-ZDUSSCGKSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269522677 813402686 /nfs/dbraw/zinc/40/26/86/813402686.db2.gz RZPADTNMURNIIQ-ZDUSSCGKSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001269634264 813455323 /nfs/dbraw/zinc/45/53/23/813455323.db2.gz MDOLJZSFKZFTFT-AWEZNQCLSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930546 813669826 /nfs/dbraw/zinc/66/98/26/813669826.db2.gz YWNAZYFHFZTZIU-ZDUSSCGKSA-N 2 0 263.385 0.706 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929506 813669978 /nfs/dbraw/zinc/66/99/78/813669978.db2.gz GUXLYFGRUZBZOD-CYBMUJFWSA-N 2 0 261.369 0.154 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029002908 813744854 /nfs/dbraw/zinc/74/48/54/813744854.db2.gz DKTRPTFLHPMOHX-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001271459954 814454272 /nfs/dbraw/zinc/45/42/72/814454272.db2.gz XKBPWIMICWJXPU-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272323185 816311753 /nfs/dbraw/zinc/31/17/53/816311753.db2.gz NXZHVJPZNNSURU-CABCVRRESA-N 2 0 289.423 0.980 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257367 816493807 /nfs/dbraw/zinc/49/38/07/816493807.db2.gz XWXMVRKKKFOQLK-LSDHHAIUSA-N 2 0 295.427 0.769 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001272536562 816560684 /nfs/dbraw/zinc/56/06/84/816560684.db2.gz GVVOGDZOAAWLAM-CQSZACIVSA-N 2 0 283.416 0.361 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC001122587338 816735052 /nfs/dbraw/zinc/73/50/52/816735052.db2.gz IRDFFNNEUYCLSF-GFCCVEGCSA-N 2 0 252.362 0.608 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354185 816865844 /nfs/dbraw/zinc/86/58/44/816865844.db2.gz KPVLAZPSDVDRCA-GJZGRUSLSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668946 817233925 /nfs/dbraw/zinc/23/39/25/817233925.db2.gz TXDVOISZLWXPCW-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785562 817867427 /nfs/dbraw/zinc/86/74/27/817867427.db2.gz NAPKZIBIXBKNDD-STQMWFEESA-N 2 0 267.373 0.132 20 30 CCEDRP C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001033151108 818576432 /nfs/dbraw/zinc/57/64/32/818576432.db2.gz IFFNFSYJXDNBQI-KGLIPLIRSA-N 2 0 286.379 0.926 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207685 819124381 /nfs/dbraw/zinc/12/43/81/819124381.db2.gz NOWQYNCKQMFXJP-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080779605 820637084 /nfs/dbraw/zinc/63/70/84/820637084.db2.gz UNJZVEGXYDEAFD-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369056 820948211 /nfs/dbraw/zinc/94/82/11/820948211.db2.gz WREUDCVQYFVCCW-MGPQQGTHSA-N 2 0 281.400 0.330 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082741194 821029646 /nfs/dbraw/zinc/02/96/46/821029646.db2.gz SFAYARBDCCHOQR-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084448754 821290018 /nfs/dbraw/zinc/29/00/18/821290018.db2.gz DRNGENANAKWVFV-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cnc3C)[C@@H]2C1 ZINC001084798911 821394192 /nfs/dbraw/zinc/39/41/92/821394192.db2.gz JDOGTAZZQZKJIC-UKRRQHHQSA-N 2 0 286.379 0.817 20 30 CCEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085674447 821892103 /nfs/dbraw/zinc/89/21/03/821892103.db2.gz WHBIWGVHESQZMX-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086186044 822146877 /nfs/dbraw/zinc/14/68/77/822146877.db2.gz FATSSSDCSYVZEB-XBXGTLAGSA-N 2 0 265.401 0.999 20 30 CCEDRP N#CCc1cc(NCc2ncn3c2C[NH2+]CCC3)cc[nH+]1 ZINC001169243131 836172675 /nfs/dbraw/zinc/17/26/75/836172675.db2.gz AOKWZSSMMZMTMC-UHFFFAOYSA-N 2 0 282.351 0.871 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108792621 836527801 /nfs/dbraw/zinc/52/78/01/836527801.db2.gz XCHXWWAKUGQJDU-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874698 837945002 /nfs/dbraw/zinc/94/50/02/837945002.db2.gz KCVYHSJPNWFMDX-UHFFFAOYSA-N 2 0 256.309 0.677 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185073321 844337910 /nfs/dbraw/zinc/33/79/10/844337910.db2.gz PQVYMBVVGLMVAW-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090406 838554244 /nfs/dbraw/zinc/55/42/44/838554244.db2.gz HDDZHQWEPNLBQH-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202323540 847886148 /nfs/dbraw/zinc/88/61/48/847886148.db2.gz PFNXNEXSMWVWML-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385801 844407647 /nfs/dbraw/zinc/40/76/47/844407647.db2.gz UUMAMQFKRDTNJO-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390648 839241713 /nfs/dbraw/zinc/24/17/13/839241713.db2.gz LWWCRPJIPFMPRW-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937837 839474249 /nfs/dbraw/zinc/47/42/49/839474249.db2.gz APNAFRHMLJDANL-STQMWFEESA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001185789141 844459256 /nfs/dbraw/zinc/45/92/56/844459256.db2.gz SKXAOMQAPWYJMP-LSDHHAIUSA-N 2 0 288.395 0.981 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090764286 839786083 /nfs/dbraw/zinc/78/60/83/839786083.db2.gz QVKMUVFMBBYZSD-JSGCOSHPSA-N 2 0 292.383 0.388 20 30 CCEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811638 839830706 /nfs/dbraw/zinc/83/07/06/839830706.db2.gz CRUBYAKWIRSYLJ-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147347533 840562080 /nfs/dbraw/zinc/56/20/80/840562080.db2.gz BIDMLUMOBDMZSP-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848920 840702156 /nfs/dbraw/zinc/70/21/56/840702156.db2.gz YVWGBCHNAVFIFV-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834961 840695209 /nfs/dbraw/zinc/69/52/09/840695209.db2.gz PCJOTFCCVCKVPV-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176845738 842447243 /nfs/dbraw/zinc/44/72/43/842447243.db2.gz VOUOHEOJVPARAK-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C)[NH+](C)C ZINC001178990234 842954725 /nfs/dbraw/zinc/95/47/25/842954725.db2.gz OFPDIMIWKDZUME-SOUVJXGZSA-N 2 0 295.427 0.555 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187135028 844657658 /nfs/dbraw/zinc/65/76/58/844657658.db2.gz BLUZTFUAQYKQPM-CYBMUJFWSA-N 2 0 286.379 0.975 20 30 CCEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192355215 845826761 /nfs/dbraw/zinc/82/67/61/845826761.db2.gz PROZHWRHPKEXRW-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570820 846109368 /nfs/dbraw/zinc/10/93/68/846109368.db2.gz OHFAVWNPXKIRIF-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cncc(C#N)c1 ZINC001194121349 846218109 /nfs/dbraw/zinc/21/81/09/846218109.db2.gz MLJXXXWTJKZGDK-UHFFFAOYSA-N 2 0 288.355 0.631 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196275436 846722371 /nfs/dbraw/zinc/72/23/71/846722371.db2.gz BNBXRCJOLRSBSS-HZSPNIEDSA-N 2 0 283.416 0.454 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953536 846824851 /nfs/dbraw/zinc/82/48/51/846824851.db2.gz RQBUJBLGYDQBFH-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201053535 847719541 /nfs/dbraw/zinc/71/95/41/847719541.db2.gz RYYWJTLYDCQFKF-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252573088 848012960 /nfs/dbraw/zinc/01/29/60/848012960.db2.gz YRSAHSGZLWZDEX-CYBMUJFWSA-N 2 0 255.406 0.539 20 30 CCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518672 848494797 /nfs/dbraw/zinc/49/47/97/848494797.db2.gz ITQCUIGEPQRVKY-IDTUSYRASA-N 2 0 295.427 0.484 20 30 CCEDRP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#CCOC)[NH+](C)C ZINC001275858923 848850642 /nfs/dbraw/zinc/85/06/42/848850642.db2.gz SERPRIVTUNCNIT-UONOGXRCSA-N 2 0 283.416 0.413 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCO)CC1 ZINC001276011473 848889771 /nfs/dbraw/zinc/88/97/71/848889771.db2.gz MKDHYRDHELLHPW-AWEZNQCLSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001276180537 848952779 /nfs/dbraw/zinc/95/27/79/848952779.db2.gz ZMQJVRNSAYCFKV-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114855535 849440713 /nfs/dbraw/zinc/44/07/13/849440713.db2.gz ZMUPJQURLVMTRY-LJISPDSOSA-N 2 0 295.427 0.576 20 30 CCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322904 851463916 /nfs/dbraw/zinc/46/39/16/851463916.db2.gz DMEDUUYXJBOUKF-RDJZCZTQSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046329097 851466479 /nfs/dbraw/zinc/46/64/79/851466479.db2.gz LIDZDGVREJCHOA-FMKPAKJESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046329098 851466509 /nfs/dbraw/zinc/46/65/09/851466509.db2.gz LIDZDGVREJCHOA-IIAWOOMASA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059190 852148608 /nfs/dbraw/zinc/14/86/08/852148608.db2.gz CLVOAUPTCSXQAI-CAOSSQGBSA-N 2 0 289.423 0.598 20 30 CCEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049215069 852196185 /nfs/dbraw/zinc/19/61/85/852196185.db2.gz HZJXJNBGOYIXCK-KFWWJZLASA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]2C1 ZINC001049235759 852199940 /nfs/dbraw/zinc/19/99/40/852199940.db2.gz UNYYXIKSPYKQEO-CALCHBBNSA-N 2 0 299.418 0.355 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049889607 852391971 /nfs/dbraw/zinc/39/19/71/852391971.db2.gz HHSJAKZGHURKRD-RBSFLKMASA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901414 852393826 /nfs/dbraw/zinc/39/38/26/852393826.db2.gz PCDCMKQYGIWFSD-LSDHHAIUSA-N 2 0 275.396 0.781 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139738 853322629 /nfs/dbraw/zinc/32/26/29/853322629.db2.gz FQUYWTSTPFBWPI-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181208 853332129 /nfs/dbraw/zinc/33/21/29/853332129.db2.gz GBRHIBIUYDGQGF-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001072978160 854508202 /nfs/dbraw/zinc/50/82/02/854508202.db2.gz GCICNQHRTBMTRJ-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878942 855016234 /nfs/dbraw/zinc/01/62/34/855016234.db2.gz BVDMYUCWCKUIQO-HUUCEWRRSA-N 2 0 293.411 0.045 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099875068 855017208 /nfs/dbraw/zinc/01/72/08/855017208.db2.gz VDHOBNZCPYUGQQ-KBPBESRZSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898582 855023168 /nfs/dbraw/zinc/02/31/68/855023168.db2.gz DQYBJHDEEWQCRA-KGLIPLIRSA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041395 855079967 /nfs/dbraw/zinc/07/99/67/855079967.db2.gz IUZWFGXHKFICSD-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081614 855095118 /nfs/dbraw/zinc/09/51/18/855095118.db2.gz VNDLIOMGIAQNJR-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132191 855104787 /nfs/dbraw/zinc/10/47/87/855104787.db2.gz POJNWSNNBGQTFD-KBPBESRZSA-N 2 0 283.416 0.454 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100409849 855163650 /nfs/dbraw/zinc/16/36/50/855163650.db2.gz NGHMRZVFOHJXIP-UHFFFAOYSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617278 855198801 /nfs/dbraw/zinc/19/88/01/855198801.db2.gz MIFMRJJNMPIODO-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100685691 855209581 /nfs/dbraw/zinc/20/95/81/855209581.db2.gz OVUFKUIOXNCGRQ-RUXDESIVSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100981002 855251708 /nfs/dbraw/zinc/25/17/08/855251708.db2.gz QFOAJAUMRGLDJM-SLTAFYQDSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015486 855408440 /nfs/dbraw/zinc/40/84/40/855408440.db2.gz HTKATRRCTNNLPH-RBSFLKMASA-N 2 0 297.418 0.984 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115161648 855648934 /nfs/dbraw/zinc/64/89/34/855648934.db2.gz JOLSNKDOHABIBT-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249774 855655624 /nfs/dbraw/zinc/65/56/24/855655624.db2.gz MJIYSKQBXZLCLN-QLPKVWCKSA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001118061243 856151283 /nfs/dbraw/zinc/15/12/83/856151283.db2.gz RCHQJTMBVLZYPT-HTQZYQBOSA-N 2 0 266.267 0.403 20 30 CCEDRP COCC1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]CC1 ZINC001118199994 856197415 /nfs/dbraw/zinc/19/74/15/856197415.db2.gz WGEBLBNPNOSPCC-LBPRGKRZSA-N 2 0 282.388 0.140 20 30 CCEDRP CC[N@@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001118507325 856322298 /nfs/dbraw/zinc/32/22/98/856322298.db2.gz WNHMPNCGSIBABK-OAHLLOKOSA-N 2 0 277.412 0.838 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001119304465 856624040 /nfs/dbraw/zinc/62/40/40/856624040.db2.gz NZFOCXUCVSLIJI-SECBINFHSA-N 2 0 280.294 0.747 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001323613737 912445996 /nfs/dbraw/zinc/44/59/96/912445996.db2.gz KCTZNWCYJYXKHQ-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CCO)CC1 ZINC001324439409 912844844 /nfs/dbraw/zinc/84/48/44/912844844.db2.gz HXOGPFICMGEMMH-UHFFFAOYSA-N 2 0 295.427 0.247 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324642485 912962106 /nfs/dbraw/zinc/96/21/06/912962106.db2.gz WRALNAPDPKIGGS-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001324991765 913133911 /nfs/dbraw/zinc/13/39/11/913133911.db2.gz FWANNWLSHOLTRR-CQSZACIVSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481016144 892059636 /nfs/dbraw/zinc/05/96/36/892059636.db2.gz CRAUAGGFBLIEMY-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001283797102 892420398 /nfs/dbraw/zinc/42/03/98/892420398.db2.gz LZHNYWIIUFKNDJ-LSDHHAIUSA-N 2 0 297.443 0.751 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481708403 893060287 /nfs/dbraw/zinc/06/02/87/893060287.db2.gz LGGJEGHCTWILKO-CHWSQXEVSA-N 2 0 253.390 0.949 20 30 CCEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482168429 893455358 /nfs/dbraw/zinc/45/53/58/893455358.db2.gz NIBGYFHWQMNNMX-QWHCGFSZSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482284318 893771258 /nfs/dbraw/zinc/77/12/58/893771258.db2.gz MUTLUGBWMGSLGS-ZIAGYGMSSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507503838 895625709 /nfs/dbraw/zinc/62/57/09/895625709.db2.gz JULCYBHOQXIWTG-KGLIPLIRSA-N 2 0 283.416 0.313 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483700540 895879841 /nfs/dbraw/zinc/87/98/41/895879841.db2.gz CNDUDLQRCHCUQY-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001483795587 896058373 /nfs/dbraw/zinc/05/83/73/896058373.db2.gz XWHJPLWAWUVLKR-ZDUSSCGKSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001484487521 896442218 /nfs/dbraw/zinc/44/22/18/896442218.db2.gz LUIRARACDKIRJK-UHFFFAOYSA-N 2 0 295.427 0.459 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]1C[NH3+] ZINC001523030440 896723652 /nfs/dbraw/zinc/72/36/52/896723652.db2.gz VXGNRGHGCMGURH-AGIUHOORSA-N 2 0 266.389 0.841 20 30 CCEDRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001326843629 914226744 /nfs/dbraw/zinc/22/67/44/914226744.db2.gz QYPMGIWOBPSDDZ-AAEUAGOBSA-N 2 0 252.362 0.595 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298655 898764252 /nfs/dbraw/zinc/76/42/52/898764252.db2.gz UTGVUSYEGHAHPY-OAHLLOKOSA-N 2 0 297.443 0.703 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001488792491 900390228 /nfs/dbraw/zinc/39/02/28/900390228.db2.gz LDZUZZKXAJKRTF-BETUJISGSA-N 2 0 253.390 0.999 20 30 CCEDRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001488835191 900401405 /nfs/dbraw/zinc/40/14/05/900401405.db2.gz UNTIIGVEIKEBBM-RBSFLKMASA-N 2 0 295.427 0.461 20 30 CCEDRP C[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001326829322 901936090 /nfs/dbraw/zinc/93/60/90/901936090.db2.gz OUOBRUDERFYLEB-CQSZACIVSA-N 2 0 295.431 0.151 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064162 903832542 /nfs/dbraw/zinc/83/25/42/903832542.db2.gz JIUOSLONNZWFGR-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280620136 904128833 /nfs/dbraw/zinc/12/88/33/904128833.db2.gz KPKXWPAABUENRU-UONOGXRCSA-N 2 0 281.400 0.474 20 30 CCEDRP CC#CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001281282592 904258425 /nfs/dbraw/zinc/25/84/25/904258425.db2.gz GIMHFSRBXKTSOQ-UHFFFAOYSA-N 2 0 293.411 0.361 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001282002812 904386529 /nfs/dbraw/zinc/38/65/29/904386529.db2.gz QBFRUNKHWWYYIZ-YMAMQOFZSA-N 2 0 277.412 0.977 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#CCOC ZINC001282215201 904435320 /nfs/dbraw/zinc/43/53/20/904435320.db2.gz QQQGLAYPFYEJKI-KGLIPLIRSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282738173 904529579 /nfs/dbraw/zinc/52/95/79/904529579.db2.gz PJEPUGXCZYZURE-TZMCWYRMSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001283051737 904683093 /nfs/dbraw/zinc/68/30/93/904683093.db2.gz ROLVMSINTKOWNW-JYJNAYRXSA-N 2 0 287.407 0.592 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001283813692 905030408 /nfs/dbraw/zinc/03/04/08/905030408.db2.gz PUFUHJYLGRKZMV-CABCVRRESA-N 2 0 297.443 0.894 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001284448737 905299460 /nfs/dbraw/zinc/29/94/60/905299460.db2.gz SENLLCFNAPOWEO-CABCVRRESA-N 2 0 297.443 0.703 20 30 CCEDRP C#CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCOC ZINC001284655600 905408977 /nfs/dbraw/zinc/40/89/77/905408977.db2.gz JUESPZMRFFSVCW-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001284790876 905438067 /nfs/dbraw/zinc/43/80/67/905438067.db2.gz YEOLJYYHUNQUML-BPCQOVAHSA-N 2 0 251.374 0.539 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001292874080 906358093 /nfs/dbraw/zinc/35/80/93/906358093.db2.gz ZIZXZYYTJALNDY-CYBMUJFWSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001491845902 907604616 /nfs/dbraw/zinc/60/46/16/907604616.db2.gz QCPQSOBXPAUSOU-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491850676 907605610 /nfs/dbraw/zinc/60/56/10/907605610.db2.gz WOCYJLAUTFEBKG-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP CCC[NH+]1CCC(NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001311977338 908577587 /nfs/dbraw/zinc/57/75/87/908577587.db2.gz WUZMJEWGXYQKSM-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001316927556 908848314 /nfs/dbraw/zinc/84/83/14/908848314.db2.gz WFQXVRSCEHRFJS-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317503414 909275369 /nfs/dbraw/zinc/27/53/69/909275369.db2.gz YNLBHTLSERXNAU-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001319259933 910060544 /nfs/dbraw/zinc/06/05/44/910060544.db2.gz BTZAEDLLJJEDEI-ZDUSSCGKSA-N 2 0 253.390 0.693 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001319523221 910186988 /nfs/dbraw/zinc/18/69/88/910186988.db2.gz OYZCSXHRPUECAF-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCF)CC1 ZINC001319590635 910217927 /nfs/dbraw/zinc/21/79/27/910217927.db2.gz UTXBYFUKCRTKJP-ZDUSSCGKSA-N 2 0 283.391 0.738 20 30 CCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001321089524 911076358 /nfs/dbraw/zinc/07/63/58/911076358.db2.gz BJEDBUNFLJAYHR-SNAWJCMRSA-N 2 0 293.411 0.383 20 30 CCEDRP C#CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001492878344 914980322 /nfs/dbraw/zinc/98/03/22/914980322.db2.gz INBHKBUHBDWAAG-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1C ZINC001328581065 915287438 /nfs/dbraw/zinc/28/74/38/915287438.db2.gz GIDKGLNQOFYDPF-FRRDWIJNSA-N 2 0 266.389 0.949 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC001329099408 915668503 /nfs/dbraw/zinc/66/85/03/915668503.db2.gz KHMGSBOMIIGJJA-GFCCVEGCSA-N 2 0 252.362 0.595 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC#CC)CC1 ZINC001329202595 915742687 /nfs/dbraw/zinc/74/26/87/915742687.db2.gz MIZHZCJBYKKRGG-GJZGRUSLSA-N 2 0 289.423 0.838 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC#CC)CC1 ZINC001329202597 915743182 /nfs/dbraw/zinc/74/31/82/915743182.db2.gz MIZHZCJBYKKRGG-LSDHHAIUSA-N 2 0 289.423 0.838 20 30 CCEDRP C[NH2+]C[C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331323165 917267382 /nfs/dbraw/zinc/26/73/82/917267382.db2.gz XLVFPLRRRDQPNX-ATWGWHJKSA-N 2 0 264.373 0.097 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331437611 917335001 /nfs/dbraw/zinc/33/50/01/917335001.db2.gz BQGFNPYBIVODBS-JSGCOSHPSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001331842516 917658139 /nfs/dbraw/zinc/65/81/39/917658139.db2.gz QMWMYIRYTPCONB-CHWSQXEVSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001332521757 918249195 /nfs/dbraw/zinc/24/91/95/918249195.db2.gz ITWQEIPHRHRKTO-KGLIPLIRSA-N 2 0 283.416 0.005 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001332634499 918332634 /nfs/dbraw/zinc/33/26/34/918332634.db2.gz XGYGQIMGFCLHDL-GJZGRUSLSA-N 2 0 297.443 0.798 20 30 CCEDRP C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)CCOC)C1 ZINC001332839302 918470811 /nfs/dbraw/zinc/47/08/11/918470811.db2.gz BMYIHWNSQQTNAT-UONOGXRCSA-N 2 0 272.389 0.202 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001332928825 918540634 /nfs/dbraw/zinc/54/06/34/918540634.db2.gz NLCWVWYSFWEQHJ-NEPJUHHUSA-N 2 0 252.362 0.595 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001332995798 918587124 /nfs/dbraw/zinc/58/71/24/918587124.db2.gz XZGXDTLFWBLCJJ-SRVKXCTJSA-N 2 0 250.346 0.360 20 30 CCEDRP C#CCC[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001336785698 921010186 /nfs/dbraw/zinc/01/01/86/921010186.db2.gz RSFHUSGIECECEV-MRXNPFEDSA-N 2 0 279.428 0.520 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001341555724 922551225 /nfs/dbraw/zinc/55/12/25/922551225.db2.gz MRGABHXTVDDEJK-AWEZNQCLSA-N 2 0 265.401 0.838 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC001341710706 922637381 /nfs/dbraw/zinc/63/73/81/922637381.db2.gz GEJRIDRNHJGHNF-RISCZKNCSA-N 2 0 251.374 0.880 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC001343395697 923299464 /nfs/dbraw/zinc/29/94/64/923299464.db2.gz SWUKFQPQLJZMRZ-OAHLLOKOSA-N 2 0 273.380 0.498 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[NH2+]C1 ZINC001343850760 923483614 /nfs/dbraw/zinc/48/36/14/923483614.db2.gz FPYZZWHEISBOOE-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC001353677840 925903036 /nfs/dbraw/zinc/90/30/36/925903036.db2.gz JMVPPAQWUDRUKD-UHFFFAOYSA-N 2 0 291.370 0.939 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001353957474 925973654 /nfs/dbraw/zinc/97/36/54/925973654.db2.gz FIKGMDWBSMHGPV-GHMZBOCLSA-N 2 0 270.402 0.219 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001353957486 925974441 /nfs/dbraw/zinc/97/44/41/925974441.db2.gz FIKGMDWBSMHGPV-WDEREUQCSA-N 2 0 270.402 0.219 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)[C@H]1CCC[C@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666962 529822751 /nfs/dbraw/zinc/82/27/51/529822751.db2.gz IQSPPCXKVPKATN-SYMSYNOKSA-N 2 0 280.412 0.680 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601976311 362447831 /nfs/dbraw/zinc/44/78/31/362447831.db2.gz VZNXCMUFPQPCGG-BZPMIXESSA-N 2 0 264.373 0.656 20 30 CCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602545899 362670656 /nfs/dbraw/zinc/67/06/56/362670656.db2.gz YSGLAOBQPRCHLH-SDDRHHMPSA-N 2 0 252.362 0.654 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590436 362696581 /nfs/dbraw/zinc/69/65/81/362696581.db2.gz HQMHUXUIDSWGJD-TUAOUCFPSA-N 2 0 250.346 0.360 20 30 CCEDRP CC(C)(C)[C@H](CO)[NH2+]CC#CC[NH2+][C@H](CO)C(C)(C)C ZINC000556531268 358552956 /nfs/dbraw/zinc/55/29/56/358552956.db2.gz SLBZFIDSIVVUEL-OKILXGFUSA-N 2 0 284.444 0.983 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000592959553 360000822 /nfs/dbraw/zinc/00/08/22/360000822.db2.gz UMUQHPDUDBJIPQ-MELADBBJSA-N 2 0 294.399 0.065 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593912380 360209247 /nfs/dbraw/zinc/20/92/47/360209247.db2.gz MKFMNAITEJTKBE-OBJOEFQTSA-N 2 0 264.373 0.595 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000593916244 360211390 /nfs/dbraw/zinc/21/13/90/360211390.db2.gz OGHGJCGFAJLEQI-CYBMUJFWSA-N 2 0 278.331 0.922 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C[NH3+] ZINC000594428013 360302158 /nfs/dbraw/zinc/30/21/58/360302158.db2.gz YWTFHCAJKABMMV-UPJWGTAASA-N 2 0 266.389 0.983 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436655 360305878 /nfs/dbraw/zinc/30/58/78/360305878.db2.gz PFDWYGXTNWONRZ-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437836 360307685 /nfs/dbraw/zinc/30/76/85/360307685.db2.gz KZMCVOVKAXODGO-UPJWGTAASA-N 2 0 266.389 0.997 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000594439376 360308527 /nfs/dbraw/zinc/30/85/27/360308527.db2.gz QCZNDBNOYXOHIC-JSGCOSHPSA-N 2 0 264.373 0.610 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000594440711 360309990 /nfs/dbraw/zinc/30/99/90/360309990.db2.gz BDQGGLNKBMHTOW-AGIUHOORSA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000594442389 360310117 /nfs/dbraw/zinc/31/01/17/360310117.db2.gz QVVQNZLZJIDLNJ-TUAOUCFPSA-N 2 0 252.362 0.784 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000594444364 360311652 /nfs/dbraw/zinc/31/16/52/360311652.db2.gz PWOOBBVNQMIKDG-BDAKNGLRSA-N 2 0 262.304 0.496 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C[NH3+])C1CC1 ZINC000594455652 360316944 /nfs/dbraw/zinc/31/69/44/360316944.db2.gz AQMYRYRZIBRXQV-NWDGAFQWSA-N 2 0 252.362 0.593 20 30 CCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594457191 360318057 /nfs/dbraw/zinc/31/80/57/360318057.db2.gz VTEVKBMNSFTAEM-WDEREUQCSA-N 2 0 254.378 0.887 20 30 CCEDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598725713 361497698 /nfs/dbraw/zinc/49/76/98/361497698.db2.gz HXNHUMBRZNSRKE-HNNXBMFYSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612878991 364032503 /nfs/dbraw/zinc/03/25/03/364032503.db2.gz PUSOMBAVHXVMAM-CQSZACIVSA-N 2 0 266.389 0.688 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626971107 368703411 /nfs/dbraw/zinc/70/34/11/368703411.db2.gz ZJLVIFMMEVRLSI-UHFFFAOYSA-N 2 0 284.404 0.254 20 30 CCEDRP C=CC(C)(C)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629588878 369729368 /nfs/dbraw/zinc/72/93/68/369729368.db2.gz PYSGSUBLKGKISK-AWEZNQCLSA-N 2 0 269.433 0.787 20 30 CCEDRP Cn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C#N ZINC000289543651 197397150 /nfs/dbraw/zinc/39/71/50/197397150.db2.gz WYLCUXQXZGKBOC-UHFFFAOYSA-N 2 0 289.427 0.966 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@H]21 ZINC000332715372 260020685 /nfs/dbraw/zinc/02/06/85/260020685.db2.gz QAIAWWOHPOQVPT-HZSPNIEDSA-N 2 0 278.400 0.950 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000296545233 389010577 /nfs/dbraw/zinc/01/05/77/389010577.db2.gz FIJMDHJGTJKNMR-CQSZACIVSA-N 2 0 292.427 0.891 20 30 CCEDRP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCCn1ccnc1 ZINC000130370772 389204744 /nfs/dbraw/zinc/20/47/44/389204744.db2.gz PVICOJXXLHSYHQ-CYBMUJFWSA-N 2 0 277.372 0.966 20 30 CCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329528859 389169077 /nfs/dbraw/zinc/16/90/77/389169077.db2.gz SVBUFAKBPFIUGL-LBPRGKRZSA-N 2 0 284.404 0.041 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361627559 389221166 /nfs/dbraw/zinc/22/11/66/389221166.db2.gz NZKSUICYRCIFMZ-UHFFFAOYSA-N 2 0 274.368 0.921 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]C)CC1 ZINC000417518801 389825182 /nfs/dbraw/zinc/82/51/82/389825182.db2.gz DBAZRCXNKKUXGN-UHFFFAOYSA-N 2 0 268.405 0.936 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000491385854 390112784 /nfs/dbraw/zinc/11/27/84/390112784.db2.gz SNHFKGHYDHUNRG-UONOGXRCSA-N 2 0 280.416 0.853 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000491701545 390116138 /nfs/dbraw/zinc/11/61/38/390116138.db2.gz XERLKRHEQRAZAC-OAHLLOKOSA-N 2 0 280.416 0.630 20 30 CCEDRP C=C[C@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000662168596 414695039 /nfs/dbraw/zinc/69/50/39/414695039.db2.gz MFPKIUIVDDKYAA-CQSZACIVSA-N 2 0 255.406 0.539 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662757123 414766969 /nfs/dbraw/zinc/76/69/69/414766969.db2.gz LEOYVQIPBRIUIO-GDBMZVCRSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000662775215 414780905 /nfs/dbraw/zinc/78/09/05/414780905.db2.gz VTVPCYHTWNFJBR-KBPBESRZSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662774367 414781869 /nfs/dbraw/zinc/78/18/69/414781869.db2.gz NXFJCMYEOGMFGL-SGMGOOAPSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[C@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662413262 414715764 /nfs/dbraw/zinc/71/57/64/414715764.db2.gz VANNQYKLWKDODF-OAHLLOKOSA-N 2 0 280.416 0.048 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364036231 262111638 /nfs/dbraw/zinc/11/16/38/262111638.db2.gz JMNCJXIZMYDWKQ-VXGBXAGGSA-N 2 0 252.362 0.540 20 30 CCEDRP C[C@@H]1C[NH+](CC#CC[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000342119820 263390022 /nfs/dbraw/zinc/39/00/22/263390022.db2.gz CZCLYBUTMYOSGQ-FZKCQIBNSA-N 2 0 280.412 0.395 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417519821 264412294 /nfs/dbraw/zinc/41/22/94/264412294.db2.gz BDRUCXMPXUQKIQ-TZMCWYRMSA-N 2 0 280.416 0.934 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000417533164 264420742 /nfs/dbraw/zinc/42/07/42/264420742.db2.gz UNDUUQJMAHYRBC-ZDUSSCGKSA-N 2 0 280.416 0.936 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368615502 267190987 /nfs/dbraw/zinc/19/09/87/267190987.db2.gz QIFQGWLYDVRNTB-YNEHKIRRSA-N 2 0 251.374 0.751 20 30 CCEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000262807910 330032975 /nfs/dbraw/zinc/03/29/75/330032975.db2.gz SRXDSRHSYMQVTI-CHWSQXEVSA-N 2 0 265.405 0.033 20 30 CCEDRP CC[C@](C)(O)CNC(=[NH+]C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262820926 330034010 /nfs/dbraw/zinc/03/40/10/330034010.db2.gz YIQWBBHPOVVSCG-ZFWWWQNUSA-N 2 0 280.416 0.669 20 30 CCEDRP CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[NH2+]C1 ZINC000424078898 330221571 /nfs/dbraw/zinc/22/15/71/330221571.db2.gz QPLHEAKEBYQCSK-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424143698 330287977 /nfs/dbraw/zinc/28/79/77/330287977.db2.gz WVEZNCVWUUGPDX-CYBMUJFWSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000424145248 330290341 /nfs/dbraw/zinc/29/03/41/330290341.db2.gz NDDXJTXFOBZOLQ-LBPRGKRZSA-N 2 0 284.323 0.649 20 30 CCEDRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424148328 330295071 /nfs/dbraw/zinc/29/50/71/330295071.db2.gz UGIMBCSABXFTSM-JHJVBQTASA-N 2 0 266.389 0.997 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424155219 330301914 /nfs/dbraw/zinc/30/19/14/330301914.db2.gz MNGHTOGMTXZAHW-PWSUYJOCSA-N 2 0 250.346 0.360 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000424177844 330317765 /nfs/dbraw/zinc/31/77/65/330317765.db2.gz VCLJHNIYNGVZFA-FRRDWIJNSA-N 2 0 264.373 0.560 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000491156101 332158589 /nfs/dbraw/zinc/15/85/89/332158589.db2.gz XLYPZYQLHLZEML-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000491308119 332187089 /nfs/dbraw/zinc/18/70/89/332187089.db2.gz SSQBOAUZBSRZPO-LBPRGKRZSA-N 2 0 254.378 0.224 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000491419652 332208317 /nfs/dbraw/zinc/20/83/17/332208317.db2.gz VORKGGKYJDNFTB-CQSZACIVSA-N 2 0 282.432 0.969 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH3+])CCC1 ZINC000491711751 332303081 /nfs/dbraw/zinc/30/30/81/332303081.db2.gz XHMADFONGXWYTC-UHFFFAOYSA-N 2 0 252.362 0.122 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000516762101 333081916 /nfs/dbraw/zinc/08/19/16/333081916.db2.gz UNGJNOWIKLXZPH-HOTGVXAUSA-N 2 0 296.459 0.760 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000522138260 333248663 /nfs/dbraw/zinc/24/86/63/333248663.db2.gz VGAMAJOHBJHBQL-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333393801 526594519 /nfs/dbraw/zinc/59/45/19/526594519.db2.gz PDDUWBHDYICUAT-WDNDVIMCSA-N 2 0 278.400 0.544 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC000743493530 581815141 /nfs/dbraw/zinc/81/51/41/581815141.db2.gz XSAZRCZKUXMPQP-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000747328909 581937151 /nfs/dbraw/zinc/93/71/51/581937151.db2.gz STVRODFZGPLWNF-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000763962351 582022760 /nfs/dbraw/zinc/02/27/60/582022760.db2.gz KFKPAHICMAVBAF-UHFFFAOYSA-N 2 0 253.390 0.904 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000764044646 582028105 /nfs/dbraw/zinc/02/81/05/582028105.db2.gz ZQPWRCGCANQAEQ-UHFFFAOYSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCOCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000851883761 612984294 /nfs/dbraw/zinc/98/42/94/612984294.db2.gz XMJZXYUAPPYBDH-HZPDHXFCSA-N 2 0 279.428 0.594 20 30 CCEDRP C#CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000864408725 612946565 /nfs/dbraw/zinc/94/65/65/612946565.db2.gz CUMPSSGALQUWAH-CHWSQXEVSA-N 2 0 266.389 0.000 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529048 612957257 /nfs/dbraw/zinc/95/72/57/612957257.db2.gz XPNDNEVCWNGSDU-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939546434 612968471 /nfs/dbraw/zinc/96/84/71/612968471.db2.gz SDIBHHYRWMIVDZ-CHWSQXEVSA-N 2 0 261.369 0.152 20 30 CCEDRP CC(C)NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000104159725 614300566 /nfs/dbraw/zinc/30/05/66/614300566.db2.gz OMXOSHXKCPVGJW-VXGBXAGGSA-N 2 0 256.394 0.798 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC000970911010 612994395 /nfs/dbraw/zinc/99/43/95/612994395.db2.gz RLNDKPSWENUHFZ-UKRRQHHQSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000820197308 612998887 /nfs/dbraw/zinc/99/88/87/612998887.db2.gz MLBVPYDOBZJGGM-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609905 613080584 /nfs/dbraw/zinc/08/05/84/613080584.db2.gz FSKGIFNYHDFQHF-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000971736469 613083395 /nfs/dbraw/zinc/08/33/95/613083395.db2.gz QAABKRWEEXLXAU-KGLIPLIRSA-N 2 0 265.401 0.739 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000916117112 613134002 /nfs/dbraw/zinc/13/40/02/613134002.db2.gz JGBUMCVQKHBVLX-UHFFFAOYSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000905657017 613138305 /nfs/dbraw/zinc/13/83/05/613138305.db2.gz XVIJRQDXAVEZGW-UHFFFAOYSA-N 2 0 282.457 0.500 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981666268 613142035 /nfs/dbraw/zinc/14/20/35/613142035.db2.gz NVAAGWKTJSIVPF-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C#Cc1cncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000806933644 613212042 /nfs/dbraw/zinc/21/20/42/613212042.db2.gz LJCPJZXSEIWEBI-UHFFFAOYSA-N 2 0 288.395 0.628 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000818033066 613366204 /nfs/dbraw/zinc/36/62/04/613366204.db2.gz DWOAEBUHXDXRHL-UONOGXRCSA-N 2 0 281.400 0.426 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841457096 613366344 /nfs/dbraw/zinc/36/63/44/613366344.db2.gz NSAKFFFUKNLSKC-STQMWFEESA-N 2 0 269.389 0.018 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852793896 613409710 /nfs/dbraw/zinc/40/97/10/613409710.db2.gz IWLQZCOTRJJOKA-OCCSQVGLSA-N 2 0 251.374 0.882 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604355 613621432 /nfs/dbraw/zinc/62/14/32/613621432.db2.gz VVSWVXAURXTEJQ-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923496340 613851681 /nfs/dbraw/zinc/85/16/81/613851681.db2.gz BLARZYGQHOUZBS-GRYCIOLGSA-N 2 0 282.388 0.303 20 30 CCEDRP CC(C)[NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884025993 613949101 /nfs/dbraw/zinc/94/91/01/613949101.db2.gz PCQFZAXKDFMBPO-JVWICGRDSA-N 2 0 278.400 0.630 20 30 CCEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCCCC1 ZINC000844194330 614191453 /nfs/dbraw/zinc/19/14/53/614191453.db2.gz DNRCXHJFYMPRAZ-MGPQQGTHSA-N 2 0 278.400 0.725 20 30 CCEDRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500006 614237878 /nfs/dbraw/zinc/23/78/78/614237878.db2.gz PRGFXFPHBWCJKW-UBHSHLNASA-N 2 0 294.399 0.007 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000872300711 614549776 /nfs/dbraw/zinc/54/97/76/614549776.db2.gz LCTWIPGOOMUNLX-GFCCVEGCSA-N 2 0 266.389 0.998 20 30 CCEDRP CC1(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[NH2+]CC1 ZINC000884247381 614895555 /nfs/dbraw/zinc/89/55/55/614895555.db2.gz RTXSDESRJFIVMC-UYJPIKCFSA-N 2 0 290.411 0.632 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)C(C)C ZINC000104191704 615131277 /nfs/dbraw/zinc/13/12/77/615131277.db2.gz RFSMGOLUFSRQFS-CYBMUJFWSA-N 3 0 269.437 0.715 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(NC2CC2)=[NH+]C)CC1 ZINC000103338425 615158817 /nfs/dbraw/zinc/15/88/17/615158817.db2.gz QRNCXEFCJJNZDJ-ZDUSSCGKSA-N 2 0 281.448 0.587 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCC(C)C)CC1 ZINC000104167474 615161298 /nfs/dbraw/zinc/16/12/98/615161298.db2.gz DOGGHGPTRMKJON-ZDUSSCGKSA-N 2 0 269.437 0.573 20 30 CCEDRP CCOCCCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000104169856 615241408 /nfs/dbraw/zinc/24/14/08/615241408.db2.gz RFLFZQNOQAVCGC-UHFFFAOYSA-N 2 0 299.463 0.345 20 30 CCEDRP CCOCCC[N@@H+]1CCC(N=NC2=NCCN2)[C@@H](C)C1 ZINC000841659159 615241510 /nfs/dbraw/zinc/24/15/10/615241510.db2.gz LSNWSHSLRGYMKA-LBPRGKRZSA-N 2 0 281.404 0.660 20 30 CCEDRP CC[C@@H](C)[N@H+](C)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000104191542 615453914 /nfs/dbraw/zinc/45/39/14/615453914.db2.gz GUZFRYUHXMQWHU-CQSZACIVSA-N 2 0 299.463 0.214 20 30 CCEDRP CC[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876865077 615791869 /nfs/dbraw/zinc/79/18/69/615791869.db2.gz ZAXKWKYZHYPCFX-GXTWGEPZSA-N 2 0 272.352 0.599 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000931568673 615858749 /nfs/dbraw/zinc/85/87/49/615858749.db2.gz ZBNXDUROHYRHJC-UHFFFAOYSA-N 2 0 292.387 0.131 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1coc(C#N)c1 ZINC000865177336 615895446 /nfs/dbraw/zinc/89/54/46/615895446.db2.gz FRHWTFQSOMVRIF-UHFFFAOYSA-N 2 0 278.356 0.717 20 30 CCEDRP C[NH+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876846567 615902103 /nfs/dbraw/zinc/90/21/03/615902103.db2.gz DQNNDEUWBOHGEA-CQSZACIVSA-N 2 0 272.352 0.423 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852887259 616083317 /nfs/dbraw/zinc/08/33/17/616083317.db2.gz JLMMYHRLZXPYBG-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198335 616213921 /nfs/dbraw/zinc/21/39/21/616213921.db2.gz SJYCVUVELSDZQP-FMPXUHTOSA-N 2 0 276.384 0.336 20 30 CCEDRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867966974 617048386 /nfs/dbraw/zinc/04/83/86/617048386.db2.gz WMNQBASOFBQZJM-HIFRSBDPSA-N 2 0 284.363 0.565 20 30 CCEDRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841849710 617052148 /nfs/dbraw/zinc/05/21/48/617052148.db2.gz ICFKNARPTSZXTO-GMTAPVOTSA-N 2 0 252.362 0.238 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023274184 622973155 /nfs/dbraw/zinc/97/31/55/622973155.db2.gz UWVQQWKFLLGDBW-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020932745 624627360 /nfs/dbraw/zinc/62/73/60/624627360.db2.gz UXCHDDZABAEQQU-JOCQHMNTSA-N 2 0 263.385 0.895 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332289 625835009 /nfs/dbraw/zinc/83/50/09/625835009.db2.gz MYBHKWIRVAFBQL-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650211 630833633 /nfs/dbraw/zinc/83/36/33/630833633.db2.gz CGFUFFDKKCUKAJ-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027806326 630935155 /nfs/dbraw/zinc/93/51/55/630935155.db2.gz GGCRBFKMWAGCRJ-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)C[C@H]1CCOC1 ZINC000261682436 631438530 /nfs/dbraw/zinc/43/85/30/631438530.db2.gz QQRJGIFLFHTGSI-UONOGXRCSA-N 2 0 282.432 0.872 20 30 CCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000985355050 632447265 /nfs/dbraw/zinc/44/72/65/632447265.db2.gz SKGDQXPBXLDVFB-AWEZNQCLSA-N 2 0 281.400 0.426 20 30 CCEDRP COCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305021534 632517973 /nfs/dbraw/zinc/51/79/73/632517973.db2.gz NZSLOTKHUWPHMX-GFCCVEGCSA-N 2 0 256.394 0.515 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000985615419 632595076 /nfs/dbraw/zinc/59/50/76/632595076.db2.gz XIXXCTFJGSLQNN-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)[C@H]1C ZINC000987531087 632877440 /nfs/dbraw/zinc/87/74/40/632877440.db2.gz JWLDDPZTAUHZGN-AAEUAGOBSA-N 2 0 260.341 0.404 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989450805 633273715 /nfs/dbraw/zinc/27/37/15/633273715.db2.gz PYITVUJGAOMAMQ-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP COCCNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000181378170 638353299 /nfs/dbraw/zinc/35/32/99/638353299.db2.gz FELLOYBYMCIKOI-LBPRGKRZSA-N 2 0 256.394 0.802 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616458 638824598 /nfs/dbraw/zinc/82/45/98/638824598.db2.gz SGVDCRZCJASGRC-CHWSQXEVSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996996743 638847867 /nfs/dbraw/zinc/84/78/67/638847867.db2.gz ZSALBTOIBHWQAT-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189881 638965964 /nfs/dbraw/zinc/96/59/64/638965964.db2.gz NYZXBUNDVYYYMM-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999508998 638983539 /nfs/dbraw/zinc/98/35/39/638983539.db2.gz IMEJQMQPJHZYMT-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015708695 650613712 /nfs/dbraw/zinc/61/37/12/650613712.db2.gz JTJDZUSTOGCNJF-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015705446 650612252 /nfs/dbraw/zinc/61/22/52/650612252.db2.gz LJVWFDRTGLADSJ-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841850107 642843389 /nfs/dbraw/zinc/84/33/89/642843389.db2.gz XNUNUKAQMJMTTL-DCQANWLSSA-N 2 0 250.346 0.122 20 30 CCEDRP C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000852798982 644002733 /nfs/dbraw/zinc/00/27/33/644002733.db2.gz PNWMXIYNUXJLEL-GXTWGEPZSA-N 2 0 263.385 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000852860294 644028437 /nfs/dbraw/zinc/02/84/37/644028437.db2.gz OXRBTFBSDZJCRG-HUUCEWRRSA-N 2 0 275.396 0.732 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852882446 644041576 /nfs/dbraw/zinc/04/15/76/644041576.db2.gz HHTBTJGNICANAV-HOTGVXAUSA-N 2 0 289.423 0.838 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018856439 650916094 /nfs/dbraw/zinc/91/60/94/650916094.db2.gz FDNDAMMAHTWDOW-KBPBESRZSA-N 2 0 263.385 0.705 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001019087051 650937540 /nfs/dbraw/zinc/93/75/40/650937540.db2.gz CSOKTIIOFQKWON-ZDUSSCGKSA-N 2 0 263.385 0.991 20 30 CCEDRP N#Cc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000866703768 645577691 /nfs/dbraw/zinc/57/76/91/645577691.db2.gz MFOPZKNPMKEEQM-UHFFFAOYSA-N 2 0 299.422 0.585 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1CC[NH2+]CC1 ZINC000867965615 645690772 /nfs/dbraw/zinc/69/07/72/645690772.db2.gz GFIOFDMGLUSAEK-INIZCTEOSA-N 2 0 298.390 0.861 20 30 CCEDRP C[C@@](C[NH3+])(NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000867967085 645691855 /nfs/dbraw/zinc/69/18/55/645691855.db2.gz YZGCIRCAUXXEJL-WBVHZDCISA-N 2 0 298.390 0.989 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001020214622 651050087 /nfs/dbraw/zinc/05/00/87/651050087.db2.gz ZCVLVXTYTGBANQ-MGPQQGTHSA-N 2 0 263.385 0.731 20 30 CCEDRP C[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000876529405 646621034 /nfs/dbraw/zinc/62/10/34/646621034.db2.gz IBBVKKRLLLOMNZ-NHYWBVRUSA-N 2 0 284.363 0.565 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877186227 646751932 /nfs/dbraw/zinc/75/19/32/646751932.db2.gz NCWCSFHQIFDYNE-AKJDGMEZSA-N 2 0 250.346 0.490 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877340711 646798807 /nfs/dbraw/zinc/79/88/07/646798807.db2.gz MJVHTJYXDVBYLY-LSDHHAIUSA-N 2 0 286.379 0.838 20 30 CCEDRP C#C[C@@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878660026 646953642 /nfs/dbraw/zinc/95/36/42/646953642.db2.gz BEFARYSMBGHWFH-AWEZNQCLSA-N 2 0 251.374 0.588 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000884202352 647666915 /nfs/dbraw/zinc/66/69/15/647666915.db2.gz WZJVYDHIDQFMEC-BTJONVMOSA-N 2 0 288.395 0.479 20 30 CCEDRP C[C@@H](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+](C)C ZINC000884401467 647728268 /nfs/dbraw/zinc/72/82/68/647728268.db2.gz QQWXWOABLULVKU-OYNVLQORSA-N 2 0 278.400 0.582 20 30 CCEDRP C[C@@H]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[NH2+]1 ZINC000884438238 647737962 /nfs/dbraw/zinc/73/79/62/647737962.db2.gz WRQPKFSULJDGIH-AXLADZDYSA-N 2 0 276.384 0.382 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@H+](C)C1CC1 ZINC000303969639 649827254 /nfs/dbraw/zinc/82/72/54/649827254.db2.gz BVYNVUQHMFBSTC-SNVBAGLBSA-N 2 0 256.419 0.833 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303379870 649817364 /nfs/dbraw/zinc/81/73/64/649817364.db2.gz QMJFWPDCSIMOGG-OLZOCXBDSA-N 2 0 269.437 0.573 20 30 CCEDRP CCOC(=O)CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303700240 649823942 /nfs/dbraw/zinc/82/39/42/649823942.db2.gz HMMFQIXDNSTXAF-GFCCVEGCSA-N 2 0 284.404 0.718 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303787683 649824860 /nfs/dbraw/zinc/82/48/60/649824860.db2.gz SQZLIYOIYFVDNC-CQSZACIVSA-N 2 0 281.448 0.739 20 30 CCEDRP CC(C)[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303785407 649824941 /nfs/dbraw/zinc/82/49/41/649824941.db2.gz QHEBVCARJNDZRY-ZDUSSCGKSA-N 2 0 268.405 0.754 20 30 CCEDRP CC(C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303868542 649825756 /nfs/dbraw/zinc/82/57/56/649825756.db2.gz ALPNUKIWNANBIR-UHFFFAOYSA-N 2 0 255.410 0.327 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303869642 649825878 /nfs/dbraw/zinc/82/58/78/649825878.db2.gz FBFRPXYPEDRZEZ-CQSZACIVSA-N 2 0 299.463 0.201 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303876057 649825954 /nfs/dbraw/zinc/82/59/54/649825954.db2.gz DOTZQJHAHXISTA-LBPRGKRZSA-N 2 0 272.393 0.038 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C)C1 ZINC000303882473 649826296 /nfs/dbraw/zinc/82/62/96/649826296.db2.gz ICEYJYPWSNUWFU-STQMWFEESA-N 3 0 267.421 0.327 20 30 CCEDRP CC(C)NC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000303889830 649826689 /nfs/dbraw/zinc/82/66/89/649826689.db2.gz MEKABKUEZSMZIJ-UHFFFAOYSA-N 2 0 290.415 0.646 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303907475 649826875 /nfs/dbraw/zinc/82/68/75/649826875.db2.gz WVYHPCXSVHRVKN-AWEZNQCLSA-N 2 0 299.463 0.343 20 30 CCEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000304012103 649828676 /nfs/dbraw/zinc/82/86/76/649828676.db2.gz VKGJNWHGJOFJJX-UHFFFAOYSA-N 2 0 276.384 0.677 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000304526112 649836661 /nfs/dbraw/zinc/83/66/61/649836661.db2.gz ZMTFXRXZLSCLDF-SNVBAGLBSA-N 2 0 293.371 0.267 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000304699842 649837615 /nfs/dbraw/zinc/83/76/15/649837615.db2.gz JFJIONFNYHXSPD-UHFFFAOYSA-N 2 0 281.448 0.717 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000304742165 649837740 /nfs/dbraw/zinc/83/77/40/649837740.db2.gz ULYRLDDNOBWQDA-CQSZACIVSA-N 2 0 297.447 0.096 20 30 CCEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000304755378 649838438 /nfs/dbraw/zinc/83/84/38/649838438.db2.gz MRIGNUAOTZFEAO-UHFFFAOYSA-N 2 0 285.436 0.001 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100418569 790582791 /nfs/dbraw/zinc/58/27/91/790582791.db2.gz AFHPPLKCNCOQOC-NRXISQOPSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266453382 790744254 /nfs/dbraw/zinc/74/42/54/790744254.db2.gz DUNHQGVACLXLFQ-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266544899 790906701 /nfs/dbraw/zinc/90/67/01/790906701.db2.gz KYCZUTCAHYLWNE-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266730599 791195117 /nfs/dbraw/zinc/19/51/17/791195117.db2.gz ZWFHQZBZDNOVGN-BETUJISGSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267021396 791456289 /nfs/dbraw/zinc/45/62/89/791456289.db2.gz DMUFDEDHYFYTBR-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267086775 791521299 /nfs/dbraw/zinc/52/12/99/791521299.db2.gz QNABVBMMXPVPRA-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267215997 791686338 /nfs/dbraw/zinc/68/63/38/791686338.db2.gz KBUCNIXRXOVSMP-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246059678 807137601 /nfs/dbraw/zinc/13/76/01/807137601.db2.gz LSSWLWBHYPDHTK-BFHYXJOUSA-N 2 0 252.358 0.071 20 30 CCEDRP CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+](C)C ZINC001122270570 799183633 /nfs/dbraw/zinc/18/36/33/799183633.db2.gz NXENNTRTWNVSPF-RYUDHWBXSA-N 2 0 270.377 0.090 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122296354 799190792 /nfs/dbraw/zinc/19/07/92/799190792.db2.gz OTIHZTWYQRNCCL-LBPRGKRZSA-N 2 0 264.373 0.656 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001122319869 799197248 /nfs/dbraw/zinc/19/72/48/799197248.db2.gz KWSKIYYRRNXCHK-MBNYWOFBSA-N 2 0 264.373 0.737 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150186686 800322678 /nfs/dbraw/zinc/32/26/78/800322678.db2.gz TUBQTHCWEWDWLD-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150192697 800323586 /nfs/dbraw/zinc/32/35/86/800323586.db2.gz JDGKTZSJYNTIGL-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCNC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239215735 806864534 /nfs/dbraw/zinc/86/45/34/806864534.db2.gz LDEUCFQWVUNNOT-NSHDSACASA-N 2 0 252.362 0.346 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894609 800863019 /nfs/dbraw/zinc/86/30/19/800863019.db2.gz VQYLUWQBNXWYIK-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226371 800935154 /nfs/dbraw/zinc/93/51/54/800935154.db2.gz JWUMCHKPOMPWEW-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP CN1CCC(CNc2cncc(CC#N)n2)([NH+](C)C)CC1 ZINC001156184905 801123478 /nfs/dbraw/zinc/12/34/78/801123478.db2.gz IPBSKRKUSOTHIN-UHFFFAOYSA-N 2 0 288.399 0.981 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156901618 801259671 /nfs/dbraw/zinc/25/96/71/801259671.db2.gz QBKTYNLOMDOPGL-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C[NH+](C)C1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001157688273 801456212 /nfs/dbraw/zinc/45/62/12/801456212.db2.gz CFGUXDCYDJTEFD-AWEZNQCLSA-N 2 0 272.352 0.200 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157887126 801510972 /nfs/dbraw/zinc/51/09/72/801510972.db2.gz RACSGGLNXUEQFC-OAHLLOKOSA-N 2 0 295.427 0.605 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001157936580 801531983 /nfs/dbraw/zinc/53/19/83/801531983.db2.gz HYTCXFVVWXWPEQ-HNNXBMFYSA-N 2 0 296.374 0.252 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202478 801591863 /nfs/dbraw/zinc/59/18/63/801591863.db2.gz XKAALRJNZJUUMV-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159335295 801794261 /nfs/dbraw/zinc/79/42/61/801794261.db2.gz XUKZXSSQMHCSRR-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854604 801882110 /nfs/dbraw/zinc/88/21/10/801882110.db2.gz OTQYORNRCUZXQE-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CCC([NH3+])CC2)cc1 ZINC001160515657 801957624 /nfs/dbraw/zinc/95/76/24/801957624.db2.gz QHIRHDFKEULDMY-CQSZACIVSA-N 2 0 272.352 0.898 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160991510 802057948 /nfs/dbraw/zinc/05/79/48/802057948.db2.gz FCDOUHLKHOJSHN-AWEZNQCLSA-N 2 0 263.385 0.671 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163822100 802618449 /nfs/dbraw/zinc/61/84/49/802618449.db2.gz SCENBNBAIDITPV-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001265001148 809691144 /nfs/dbraw/zinc/69/11/44/809691144.db2.gz OXQRKTIWTSEBSJ-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969435 802778162 /nfs/dbraw/zinc/77/81/62/802778162.db2.gz QWPZFCYSRKHKQK-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781217 802865452 /nfs/dbraw/zinc/86/54/52/802865452.db2.gz LFHNLXYDYRVNGG-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166676678 802936404 /nfs/dbraw/zinc/93/64/04/802936404.db2.gz AZULNQHJYHMIRI-CQSZACIVSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166758888 802958282 /nfs/dbraw/zinc/95/82/82/802958282.db2.gz LLHKZKMKIJXIAC-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576279 803035163 /nfs/dbraw/zinc/03/51/63/803035163.db2.gz BTBUNIVKQGHHOU-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP N#Cc1cccc(CCC[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512151 803256184 /nfs/dbraw/zinc/25/61/84/803256184.db2.gz KDSCAZMQCYWVIH-GJZGRUSLSA-N 2 0 259.353 0.742 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206927687 803310399 /nfs/dbraw/zinc/31/03/99/803310399.db2.gz KTMDOWDBHURVSS-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070291 803485055 /nfs/dbraw/zinc/48/50/55/803485055.db2.gz IPJDUTYSISTCJQ-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577913 814951199 /nfs/dbraw/zinc/95/11/99/814951199.db2.gz WJDWZXHNUMCZEW-SYQHCUMBSA-N 2 0 263.385 0.539 20 30 CCEDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001209668879 803622084 /nfs/dbraw/zinc/62/20/84/803622084.db2.gz JHADYWSRPSMBDE-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674563 803656942 /nfs/dbraw/zinc/65/69/42/803656942.db2.gz ZEBSEGBNMSCPOF-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752382 803853896 /nfs/dbraw/zinc/85/38/96/803853896.db2.gz MCTXFDKPOBBIFB-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP Cc1cc(C#N)c(NC(=O)[C@H]([NH3+])CCC[NH3+])s1 ZINC001218555698 804003965 /nfs/dbraw/zinc/00/39/65/804003965.db2.gz RVDCBEOESZHPOD-SECBINFHSA-N 2 0 252.343 0.933 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218581706 804019965 /nfs/dbraw/zinc/01/99/65/804019965.db2.gz HUURDEOLAMQTDF-UONOGXRCSA-N 2 0 281.400 0.426 20 30 CCEDRP COc1cccc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c1C#N ZINC001218977993 804171865 /nfs/dbraw/zinc/17/18/65/804171865.db2.gz KJVBFGMEUNXCQL-NSHDSACASA-N 2 0 285.307 0.798 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805365 804426041 /nfs/dbraw/zinc/42/60/41/804426041.db2.gz DXUQGTLMLTZAIM-ILXRZTDVSA-N 2 0 295.427 0.454 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219875252 804436567 /nfs/dbraw/zinc/43/65/67/804436567.db2.gz WDPGQIKUGAUNEC-MCIONIFRSA-N 2 0 283.416 0.454 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)n1ccc(C[NH3+])cc1=N ZINC001220044839 804482490 /nfs/dbraw/zinc/48/24/90/804482490.db2.gz BLERYXYQMWWLCR-AWEZNQCLSA-N 2 0 295.346 0.508 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227249 804545115 /nfs/dbraw/zinc/54/51/15/804545115.db2.gz LSNHKEBSLMCTAP-OLZOCXBDSA-N 2 0 281.400 0.066 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582938 804629364 /nfs/dbraw/zinc/62/93/64/804629364.db2.gz LPSPUFNAMVORIR-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](C#N)CC(C)C ZINC001220700712 804652158 /nfs/dbraw/zinc/65/21/58/804652158.db2.gz NBQAPXQHVWYBAI-NEPJUHHUSA-N 2 0 254.378 0.758 20 30 CCEDRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001221254815 804759306 /nfs/dbraw/zinc/75/93/06/804759306.db2.gz VFNQLSCASJPHGC-WFASDCNBSA-N 2 0 286.379 0.496 20 30 CCEDRP C#CCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276979498 805050297 /nfs/dbraw/zinc/05/02/97/805050297.db2.gz ZIDHSVBJQDQCNG-RHSMWYFYSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246019735 807119241 /nfs/dbraw/zinc/11/92/41/807119241.db2.gz JNEVBIIJHUANPB-BFHYXJOUSA-N 2 0 254.374 0.304 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1F ZINC001246276517 807204414 /nfs/dbraw/zinc/20/44/14/807204414.db2.gz MCEVUBDOPFWPPW-ZDUSSCGKSA-N 2 0 274.343 0.881 20 30 CCEDRP C(#Cc1ccccc1)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246288030 807208034 /nfs/dbraw/zinc/20/80/34/807208034.db2.gz PKWWKALVMMMTFO-OAHLLOKOSA-N 2 0 255.365 0.722 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246305099 807215618 /nfs/dbraw/zinc/21/56/18/807215618.db2.gz OOSRBQMTZQOYFP-IXXDHKBRSA-N 2 0 293.411 0.862 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465827 815101616 /nfs/dbraw/zinc/10/16/16/815101616.db2.gz URYMCVJZNZWUSI-ZNMIVQPWSA-N 2 0 293.411 0.066 20 30 CCEDRP C=CCOC1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246578387 807300059 /nfs/dbraw/zinc/30/00/59/807300059.db2.gz BQIKRARSDFZMQW-ABXWRUBCSA-N 2 0 254.374 0.752 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC001251880524 807731439 /nfs/dbraw/zinc/73/14/39/807731439.db2.gz BDQVTMMSKADXCM-AWEZNQCLSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001251891194 807736077 /nfs/dbraw/zinc/73/60/77/807736077.db2.gz NVMMELNFDDNLSI-OAHLLOKOSA-N 2 0 266.385 0.604 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001251891247 807737536 /nfs/dbraw/zinc/73/75/36/807737536.db2.gz PELLPFQKIOZVMC-JXQTWKCFSA-N 2 0 254.374 0.460 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001251906592 807743536 /nfs/dbraw/zinc/74/35/36/807743536.db2.gz HUDMWTMUGMGZIP-ZNMIVQPWSA-N 2 0 268.401 0.706 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001252472231 807883925 /nfs/dbraw/zinc/88/39/25/807883925.db2.gz QFXSVVVRYMSBAY-MELADBBJSA-N 2 0 254.374 0.433 20 30 CCEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)O1 ZINC001254642764 808268667 /nfs/dbraw/zinc/26/86/67/808268667.db2.gz GVUSAZICFUQUGM-DHGKCCLASA-N 2 0 267.373 0.993 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278874105 808411672 /nfs/dbraw/zinc/41/16/72/808411672.db2.gz TWLYEQKPEPKPOQ-LSDHHAIUSA-N 2 0 297.443 0.347 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278874104 808411776 /nfs/dbraw/zinc/41/17/76/808411776.db2.gz TWLYEQKPEPKPOQ-HUUCEWRRSA-N 2 0 297.443 0.347 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882651 808425157 /nfs/dbraw/zinc/42/51/57/808425157.db2.gz LDFIUVQNQIBQEU-GJZGRUSLSA-N 2 0 297.443 0.655 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C[NH3+])C2 ZINC001262050247 809173057 /nfs/dbraw/zinc/17/30/57/809173057.db2.gz WREHVNUYGCTIFS-MRFPXMQZSA-N 2 0 262.357 0.075 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076325209 815277403 /nfs/dbraw/zinc/27/74/03/815277403.db2.gz WPUOFFCFOBGIFB-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001263812179 809574848 /nfs/dbraw/zinc/57/48/48/809574848.db2.gz IOKYGWXMELIXLK-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001263875293 809595814 /nfs/dbraw/zinc/59/58/14/809595814.db2.gz NCUNVYIUZSCEGG-JHJVBQTASA-N 2 0 274.368 0.706 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264410236 809652662 /nfs/dbraw/zinc/65/26/62/809652662.db2.gz LDYNYQVPGDEWCW-MELADBBJSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001264416960 809654741 /nfs/dbraw/zinc/65/47/41/809654741.db2.gz KAGSBXQITNIYCE-IHRRRGAJSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001265691779 809826174 /nfs/dbraw/zinc/82/61/74/809826174.db2.gz RNQZRMNLCKYSKX-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001266154864 809950795 /nfs/dbraw/zinc/95/07/95/809950795.db2.gz HUOHSWBIYCLQQT-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001279450525 809979419 /nfs/dbraw/zinc/97/94/19/809979419.db2.gz SBABGYXCAPITAL-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509221 809984600 /nfs/dbraw/zinc/98/46/00/809984600.db2.gz IPVIUAINMRWEJV-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267683695 811647542 /nfs/dbraw/zinc/64/75/42/811647542.db2.gz UUPBEZOAIOLQTM-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886851 812119058 /nfs/dbraw/zinc/11/90/58/812119058.db2.gz YTGCHCOFZATHOH-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001268179065 812348066 /nfs/dbraw/zinc/34/80/66/812348066.db2.gz OAHBYBLIPAKIQH-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214745 812367603 /nfs/dbraw/zinc/36/76/03/812367603.db2.gz WKMBFSHDHUGVSH-CABCVRRESA-N 2 0 277.412 0.692 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCF)CC1 ZINC001268499600 812710929 /nfs/dbraw/zinc/71/09/29/812710929.db2.gz NDWYUVNTGCIUEN-UHFFFAOYSA-N 2 0 283.391 0.739 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001269958525 813567439 /nfs/dbraw/zinc/56/74/39/813567439.db2.gz GSPBHNNNBYWWDW-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270625630 813849716 /nfs/dbraw/zinc/84/97/16/813849716.db2.gz ZJHKGJQWMDNYNG-CQSZACIVSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087827619 814225658 /nfs/dbraw/zinc/22/56/58/814225658.db2.gz BXGPKKAKNHEBRU-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271193216 814329780 /nfs/dbraw/zinc/32/97/80/814329780.db2.gz SYQYEADXEHPHNV-INIZCTEOSA-N 2 0 297.443 0.703 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001271929861 814633272 /nfs/dbraw/zinc/63/32/72/814633272.db2.gz FADRJHLYUNXHLX-CHWSQXEVSA-N 2 0 253.390 0.855 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127077279 815638051 /nfs/dbraw/zinc/63/80/51/815638051.db2.gz BILJSLAUFMFONJ-AWEZNQCLSA-N 2 0 283.416 0.768 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257364 816493131 /nfs/dbraw/zinc/49/31/31/816493131.db2.gz XWXMVRKKKFOQLK-CABCVRRESA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127352309 816804640 /nfs/dbraw/zinc/80/46/40/816804640.db2.gz TXGPEXFWEOLAQC-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626350 816826897 /nfs/dbraw/zinc/82/68/97/816826897.db2.gz DJPZRUVWARSWIW-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354202 816866366 /nfs/dbraw/zinc/86/63/66/816866366.db2.gz KPVLAZPSDVDRCA-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031774540 817356935 /nfs/dbraw/zinc/35/69/35/817356935.db2.gz AWBJQXWZLPPLIK-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976507 817515097 /nfs/dbraw/zinc/51/50/97/817515097.db2.gz NHEPTMXXKNMUOI-GXTWGEPZSA-N 2 0 263.385 0.255 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833213 818529446 /nfs/dbraw/zinc/52/94/46/818529446.db2.gz OYAKSWKVXHLZOW-CABCVRRESA-N 2 0 295.427 0.456 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660595 818882099 /nfs/dbraw/zinc/88/20/99/818882099.db2.gz IVHARCJWWDSDTA-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033786849 818935000 /nfs/dbraw/zinc/93/50/00/818935000.db2.gz ACESVRWGDYFMKT-CABCVRRESA-N 2 0 295.427 0.816 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128783132 819007939 /nfs/dbraw/zinc/00/79/39/819007939.db2.gz FTOBAJJVLXTXPI-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128784306 819015490 /nfs/dbraw/zinc/01/54/90/819015490.db2.gz LPBOSQUQJFQIAP-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001034148844 819096156 /nfs/dbraw/zinc/09/61/56/819096156.db2.gz PBYOTHVMTVJEQI-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034250364 819135307 /nfs/dbraw/zinc/13/53/07/819135307.db2.gz SVCXEUIMZZXHIE-CABCVRRESA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034485165 819219377 /nfs/dbraw/zinc/21/93/77/819219377.db2.gz COCVFQYMHSIUTC-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCC1 ZINC001273186392 820096535 /nfs/dbraw/zinc/09/65/35/820096535.db2.gz MHKRAIHLWPRJPB-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001080328561 820550217 /nfs/dbraw/zinc/55/02/17/820550217.db2.gz RHSMWEFCXROHOY-CBBWQLFWSA-N 2 0 277.412 0.786 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782872 820630622 /nfs/dbraw/zinc/63/06/22/820630622.db2.gz FNSXWXASLPDBLE-DGCLKSJQSA-N 2 0 262.357 0.585 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080939778 820657919 /nfs/dbraw/zinc/65/79/19/820657919.db2.gz JMGHBHNXZVWQLP-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133491 820904872 /nfs/dbraw/zinc/90/48/72/820904872.db2.gz DTZWFRVXBGPTCJ-MGPQQGTHSA-N 2 0 281.400 0.472 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091636 821199264 /nfs/dbraw/zinc/19/92/64/821199264.db2.gz GZZLWNXNKWBPJV-KFWWJZLASA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cncc3C)[C@@H]2C1 ZINC001084522023 821303946 /nfs/dbraw/zinc/30/39/46/821303946.db2.gz GKPMIZJKMHJHPK-HUUCEWRRSA-N 2 0 286.379 0.748 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273297980 821570958 /nfs/dbraw/zinc/57/09/58/821570958.db2.gz FYHZRUOUUMKMGI-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(CC)CCO1 ZINC001085428912 821682916 /nfs/dbraw/zinc/68/29/16/821682916.db2.gz XLJLUYGDVNTTHW-KFWWJZLASA-N 2 0 293.411 0.357 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085518326 821764359 /nfs/dbraw/zinc/76/43/59/821764359.db2.gz OZQOUNPWUYFCOF-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086122554 822120284 /nfs/dbraw/zinc/12/02/84/822120284.db2.gz PMYIJTILSVUAFJ-HZSPNIEDSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358937 836515244 /nfs/dbraw/zinc/51/52/44/836515244.db2.gz ZDOGQGPNBCJVEX-UHFFFAOYSA-N 2 0 269.389 0.379 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749581 836521760 /nfs/dbraw/zinc/52/17/60/836521760.db2.gz FNWQCAXKZQULGM-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)C1 ZINC001157742335 837366655 /nfs/dbraw/zinc/36/66/55/837366655.db2.gz BSGVYSLOKVZWRO-KBPBESRZSA-N 2 0 269.364 0.974 20 30 CCEDRP C=CC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196680 838019223 /nfs/dbraw/zinc/01/92/23/838019223.db2.gz RHAPEVJWHYEKHT-UHFFFAOYSA-N 2 0 271.324 0.773 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272801 838352268 /nfs/dbraw/zinc/35/22/68/838352268.db2.gz BSPPTTVAFXBVTP-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132367608 838373255 /nfs/dbraw/zinc/37/32/55/838373255.db2.gz DCORYDSJXFBMSJ-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021342 838819910 /nfs/dbraw/zinc/81/99/10/838819910.db2.gz ZEKSGRHMKPJWHC-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP C[NH+]1CC(CNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001159216358 839019038 /nfs/dbraw/zinc/01/90/38/839019038.db2.gz QZACCNNCTHPIMI-UHFFFAOYSA-N 2 0 271.368 0.963 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135957155 839482455 /nfs/dbraw/zinc/48/24/55/839482455.db2.gz YKEAJDDHKOZMNX-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1C#N ZINC001170895869 839540283 /nfs/dbraw/zinc/54/02/83/839540283.db2.gz ACGKYWOHSRQMSQ-GFCCVEGCSA-N 2 0 261.329 0.954 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090541771 839628471 /nfs/dbraw/zinc/62/84/71/839628471.db2.gz XYIBMJMCENIZLI-KBPBESRZSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730093 839759842 /nfs/dbraw/zinc/75/98/42/839759842.db2.gz FWZCNRDPXAFMHJ-KBPBESRZSA-N 2 0 293.411 0.210 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001090954675 839913645 /nfs/dbraw/zinc/91/36/45/839913645.db2.gz LCFOTCVWYIDDLZ-BPCQOVAHSA-N 2 0 251.374 0.751 20 30 CCEDRP CCCCN(CC#N)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160729989 840162385 /nfs/dbraw/zinc/16/23/85/840162385.db2.gz MZNSPQUJIZOMCU-LBPRGKRZSA-N 2 0 252.362 0.466 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594781 840331775 /nfs/dbraw/zinc/33/17/75/840331775.db2.gz UTCVHGXPRKQCBJ-QWHCGFSZSA-N 2 0 253.390 0.833 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086873338 840933462 /nfs/dbraw/zinc/93/34/62/840933462.db2.gz CNJGHJXAUXEIOJ-BFHYXJOUSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203067 841000523 /nfs/dbraw/zinc/00/05/23/841000523.db2.gz BJNBFNWSRUTXOZ-ZBFHGGJFSA-N 2 0 287.407 0.496 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198516 841001648 /nfs/dbraw/zinc/00/16/48/841001648.db2.gz PZZNJBARSWKXOL-UXLLHSPISA-N 2 0 289.423 0.742 20 30 CCEDRP C=CCOC1CCC([NH2+]CCN(C)CC[NH3+])CC1 ZINC001173317407 842052260 /nfs/dbraw/zinc/05/22/60/842052260.db2.gz WWKPJRQLDLYAQM-UHFFFAOYSA-N 2 0 255.406 0.980 20 30 CCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185245 842333286 /nfs/dbraw/zinc/33/32/86/842333286.db2.gz VHYYIVPVXQBCGU-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C=C(C)CN1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177079426 842502840 /nfs/dbraw/zinc/50/28/40/842502840.db2.gz CNBYMCLHDCEIIJ-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180061134 843102358 /nfs/dbraw/zinc/10/23/58/843102358.db2.gz YEKZSYXPZCDJSP-UHFFFAOYSA-N 2 0 283.416 0.464 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182973964 843951739 /nfs/dbraw/zinc/95/17/39/843951739.db2.gz VLGDUKIYIIOZPF-ZIAGYGMSSA-N 2 0 283.391 0.880 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001183091424 843961657 /nfs/dbraw/zinc/96/16/57/843961657.db2.gz FYDVATFHXGHQHP-UHFFFAOYSA-N 2 0 276.344 0.597 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001151740264 845001752 /nfs/dbraw/zinc/00/17/52/845001752.db2.gz RFNMCTSVIZGPGV-ZDUSSCGKSA-N 2 0 269.389 0.379 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126754 845673105 /nfs/dbraw/zinc/67/31/05/845673105.db2.gz UEZJFMASCZZKKI-NHAGDIPZSA-N 2 0 281.400 0.187 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353225 845827827 /nfs/dbraw/zinc/82/78/27/845827827.db2.gz BRKGBISQBQCHEO-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192355217 845828369 /nfs/dbraw/zinc/82/83/69/845828369.db2.gz PROZHWRHPKEXRW-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002769 846194636 /nfs/dbraw/zinc/19/46/36/846194636.db2.gz YUELTDQJPBZHKI-LSDHHAIUSA-N 2 0 293.411 0.121 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196275497 846721262 /nfs/dbraw/zinc/72/12/62/846721262.db2.gz CJNQYGFYGCGQOF-FRRDWIJNSA-N 2 0 269.389 0.064 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196498101 846764537 /nfs/dbraw/zinc/76/45/37/846764537.db2.gz ASGUHOLFWHQJMM-BFHYXJOUSA-N 2 0 292.383 0.572 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606614 847672777 /nfs/dbraw/zinc/67/27/77/847672777.db2.gz RSUZPDZQCQOXIL-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001200850078 847698110 /nfs/dbraw/zinc/69/81/10/847698110.db2.gz FMZNCVYXJKICLZ-AWEZNQCLSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114400001 848034419 /nfs/dbraw/zinc/03/44/19/848034419.db2.gz AZGPOAKHUPVEDR-ITGUQSILSA-N 2 0 261.369 0.150 20 30 CCEDRP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274544175 848500426 /nfs/dbraw/zinc/50/04/26/848500426.db2.gz PPAAKKMLINEKAC-CQSZACIVSA-N 2 0 293.411 0.047 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001274968200 848604026 /nfs/dbraw/zinc/60/40/26/848604026.db2.gz VBCPISNEYNGALL-GFCCVEGCSA-N 2 0 269.389 0.378 20 30 CCEDRP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001275174855 848658058 /nfs/dbraw/zinc/65/80/58/848658058.db2.gz AQCILCUUKQEEAQ-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001275976325 848877944 /nfs/dbraw/zinc/87/79/44/848877944.db2.gz BSUVQPYCSBFHME-STQMWFEESA-N 2 0 253.390 0.642 20 30 CCEDRP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276003801 848887802 /nfs/dbraw/zinc/88/78/02/848887802.db2.gz UGGVYFAPHRTOFP-CABCVRRESA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042356925 850619706 /nfs/dbraw/zinc/61/97/06/850619706.db2.gz JLVYKNPFCPATEW-LSDHHAIUSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001044822690 851165498 /nfs/dbraw/zinc/16/54/98/851165498.db2.gz MJGGNTIUKONWGF-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046319706 851464506 /nfs/dbraw/zinc/46/45/06/851464506.db2.gz VLSCPSDLPGCSED-DOTOQJQBSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329264 851467559 /nfs/dbraw/zinc/46/75/59/851467559.db2.gz NJNDMWDAIWAFNJ-IIAWOOMASA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587183 851557029 /nfs/dbraw/zinc/55/70/29/851557029.db2.gz AZYAYJHPOSYGSN-MRXNPFEDSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047527282 851801436 /nfs/dbraw/zinc/80/14/36/851801436.db2.gz AVPVHQBAHAWGHD-ILXRZTDVSA-N 2 0 295.427 0.408 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596610 851829931 /nfs/dbraw/zinc/82/99/31/851829931.db2.gz UJGSEVKGUCBKDR-ILXRZTDVSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049646045 852330679 /nfs/dbraw/zinc/33/06/79/852330679.db2.gz OXMQSTRJAKQSBK-SOUVJXGZSA-N 2 0 275.396 0.779 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343323 852493994 /nfs/dbraw/zinc/49/39/94/852493994.db2.gz AACJADMCXFBAJS-XSCHDIRWSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072751758 854457027 /nfs/dbraw/zinc/45/70/27/854457027.db2.gz CFBAHJDEQPRNJN-HUUCEWRRSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072981279 854507477 /nfs/dbraw/zinc/50/74/77/854507477.db2.gz CGVMIMMKSWNOEU-HUUCEWRRSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073427879 854558277 /nfs/dbraw/zinc/55/82/77/854558277.db2.gz LELJCXSQHFNHGG-ZDUSSCGKSA-N 2 0 261.369 0.106 20 30 CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890334 854659206 /nfs/dbraw/zinc/65/92/06/854659206.db2.gz CGXFKCBLUDBWBD-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073891317 854659757 /nfs/dbraw/zinc/65/97/57/854659757.db2.gz OHQZRXKUGXEMIK-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879710 855016191 /nfs/dbraw/zinc/01/61/91/855016191.db2.gz OMHAGOREVPYIFK-UONOGXRCSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971682 855056227 /nfs/dbraw/zinc/05/62/27/855056227.db2.gz LAMQKQDQQJQDHR-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100404744 855162055 /nfs/dbraw/zinc/16/20/55/855162055.db2.gz RGDKVNZRLZKBLW-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP CC[C@H](C(=O)NCC1CC([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001100442752 855169613 /nfs/dbraw/zinc/16/96/13/855169613.db2.gz UNTIIGVEIKEBBM-YMAMQOFZSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100681142 855207775 /nfs/dbraw/zinc/20/77/75/855207775.db2.gz YCIUUBGQCNPENC-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102337684 855428762 /nfs/dbraw/zinc/42/87/62/855428762.db2.gz OKNAIAABLJFCCQ-RBSFLKMASA-N 2 0 279.428 0.890 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103997948 855560424 /nfs/dbraw/zinc/56/04/24/855560424.db2.gz DKHRYZNWWRFXIX-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788931 855593509 /nfs/dbraw/zinc/59/35/09/855593509.db2.gz PQFUBEZMKOJTAJ-LZWOXQAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114997378 855633747 /nfs/dbraw/zinc/63/37/47/855633747.db2.gz KEGLZWNYEJZCBD-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115159661 855648264 /nfs/dbraw/zinc/64/82/64/855648264.db2.gz IXBASUHQXJRWIQ-FOLVSLTJSA-N 2 0 293.411 0.024 20 30 CCEDRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001118060425 856149906 /nfs/dbraw/zinc/14/99/06/856149906.db2.gz BJHADERBUVBAJL-AWEZNQCLSA-N 2 0 295.431 0.103 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001118202184 856200795 /nfs/dbraw/zinc/20/07/95/856200795.db2.gz ZLVKSIIMFRPKFQ-LBPRGKRZSA-N 2 0 264.373 0.610 20 30 CCEDRP C[C@@H](CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC001120489085 857089323 /nfs/dbraw/zinc/08/93/23/857089323.db2.gz OOMCVGSAPSTHHM-UONOGXRCSA-N 2 0 283.416 0.988 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324642486 912959988 /nfs/dbraw/zinc/95/99/88/912959988.db2.gz WRALNAPDPKIGGS-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001325162353 913251329 /nfs/dbraw/zinc/25/13/29/913251329.db2.gz SWPCLLAZLXTADC-INIZCTEOSA-N 2 0 295.427 0.601 20 30 CCEDRP C#CCC[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480865127 891430597 /nfs/dbraw/zinc/43/05/97/891430597.db2.gz CMSCHZCBHJGPLP-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302167 892551934 /nfs/dbraw/zinc/55/19/34/892551934.db2.gz IYLKKEHJJFUTOK-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447860 892673140 /nfs/dbraw/zinc/67/31/40/892673140.db2.gz UORSEDPBJQVQTM-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001481825178 893190481 /nfs/dbraw/zinc/19/04/81/893190481.db2.gz IRIDZDLGTBQVRK-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)CC ZINC001482351751 893906691 /nfs/dbraw/zinc/90/66/91/893906691.db2.gz XEMAOPWHLVSYQH-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482368150 893922403 /nfs/dbraw/zinc/92/24/03/893922403.db2.gz NPADSGFTAWJPAL-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482624968 894428105 /nfs/dbraw/zinc/42/81/05/894428105.db2.gz CWPHODATFOLXSL-UHFFFAOYSA-N 2 0 253.390 0.904 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482848427 894648411 /nfs/dbraw/zinc/64/84/11/894648411.db2.gz ZOJBESAADQCNPM-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483021582 894809659 /nfs/dbraw/zinc/80/96/59/894809659.db2.gz FCLIXWHPBYRNSE-AATRIKPKSA-N 2 0 293.411 0.240 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483050850 894851174 /nfs/dbraw/zinc/85/11/74/894851174.db2.gz MATQRLZQEBEMOI-LAWSMPECSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483228831 895146403 /nfs/dbraw/zinc/14/64/03/895146403.db2.gz PKBZOQHCNQWMDG-GXTWGEPZSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483340204 895479843 /nfs/dbraw/zinc/47/98/43/895479843.db2.gz PCHBFHJNXSGRFV-MELADBBJSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCOCC1 ZINC001484190605 896223570 /nfs/dbraw/zinc/22/35/70/896223570.db2.gz VZSBSOKUNOGHBU-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP CNC(NCc1ccccc1N1CC[NH+](C)CC1)=[NH+]C ZINC001326906465 914261815 /nfs/dbraw/zinc/26/18/15/914261815.db2.gz KCZCSMOPQVJFHW-UHFFFAOYSA-N 2 0 275.400 0.733 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001486295644 898762061 /nfs/dbraw/zinc/76/20/61/898762061.db2.gz PTGUIAVBTPCJGM-LSDHHAIUSA-N 2 0 297.443 0.703 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298654 898765326 /nfs/dbraw/zinc/76/53/26/898765326.db2.gz UTGVUSYEGHAHPY-HNNXBMFYSA-N 2 0 297.443 0.703 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001486308077 898771837 /nfs/dbraw/zinc/77/18/37/898771837.db2.gz AGXYPRPPVHEXDC-AWEZNQCLSA-N 2 0 299.459 0.949 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001280628366 899901147 /nfs/dbraw/zinc/90/11/47/899901147.db2.gz JOVKXEICSLQNIS-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390124 900011236 /nfs/dbraw/zinc/01/12/36/900011236.db2.gz NHHRDIOFEBPRPG-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490741534 900713285 /nfs/dbraw/zinc/71/32/85/900713285.db2.gz VSVYMZJJOKQEJB-ZDUSSCGKSA-N 2 0 251.374 0.753 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491065880 903325980 /nfs/dbraw/zinc/32/59/80/903325980.db2.gz LYANQMYUFZMTLG-GASCZTMLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283554521 904907025 /nfs/dbraw/zinc/90/70/25/904907025.db2.gz RJOALZGYDOOIOS-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001283823381 905036101 /nfs/dbraw/zinc/03/61/01/905036101.db2.gz GTPPAOMMFXBOTP-HOCLYGCPSA-N 2 0 295.427 0.505 20 30 CCEDRP C=C(C)C[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284879067 905450844 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COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317310207 909134991 /nfs/dbraw/zinc/13/49/91/909134991.db2.gz HTPXTHMIYCCIBP-AWEZNQCLSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317830847 909517374 /nfs/dbraw/zinc/51/73/74/909517374.db2.gz KYULLWFZVGUXHG-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318483084 909773140 /nfs/dbraw/zinc/77/31/40/909773140.db2.gz OZBVLQRDTSAXQE-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319124926 909995451 /nfs/dbraw/zinc/99/54/51/909995451.db2.gz ZUOZZRKPAPDKPN-CYBMUJFWSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001319200716 910034547 /nfs/dbraw/zinc/03/45/47/910034547.db2.gz BWQVNWSSMKMVJM-KGLIPLIRSA-N 2 0 267.417 0.938 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319207182 910038515 /nfs/dbraw/zinc/03/85/15/910038515.db2.gz HGBABXJQWJBLPG-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319561118 910204992 /nfs/dbraw/zinc/20/49/92/910204992.db2.gz TUROKVLEADJBSI-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319999542 910405629 /nfs/dbraw/zinc/40/56/29/910405629.db2.gz IIRAMSGDJYYBMZ-OAHLLOKOSA-N 2 0 277.412 0.742 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001320073176 910446512 /nfs/dbraw/zinc/44/65/12/910446512.db2.gz SSKJFMAMJQVDCC-UHFFFAOYSA-N 2 0 293.411 0.122 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001320242653 910552153 /nfs/dbraw/zinc/55/21/53/910552153.db2.gz OWHCIHSNOMKRGD-HUUCEWRRSA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001320242652 910553705 /nfs/dbraw/zinc/55/37/05/910553705.db2.gz OWHCIHSNOMKRGD-GJZGRUSLSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001320455225 910679909 /nfs/dbraw/zinc/67/99/09/910679909.db2.gz QNZCHMZGWJZKMV-STQMWFEESA-N 2 0 253.390 0.690 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001322999916 912064706 /nfs/dbraw/zinc/06/47/06/912064706.db2.gz KCKXUYJJYFKCBP-SOUVJXGZSA-N 2 0 277.412 0.834 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329051784 915628158 /nfs/dbraw/zinc/62/81/58/915628158.db2.gz CQXGAWWFMTUGNZ-OLZOCXBDSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CN(C)CCO1 ZINC001329876441 916249761 /nfs/dbraw/zinc/24/97/61/916249761.db2.gz RCIFGDHPEGRZDZ-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001330445106 916633838 /nfs/dbraw/zinc/63/38/38/916633838.db2.gz JMVUXQJQKBHLOU-ZIAGYGMSSA-N 2 0 281.400 0.165 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001331806995 917625864 /nfs/dbraw/zinc/62/58/64/917625864.db2.gz XTPHMMQJGUHRLA-OAHLLOKOSA-N 2 0 291.395 0.615 20 30 CCEDRP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001333049110 918623533 /nfs/dbraw/zinc/62/35/33/918623533.db2.gz MWNWMPZUVKJUJG-RUXDESIVSA-N 2 0 281.400 0.472 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc(N)cc[nH+]1 ZINC001333273554 918763739 /nfs/dbraw/zinc/76/37/39/918763739.db2.gz SACKBACTDSZRNA-JTQLQIEISA-N 2 0 254.721 0.750 20 30 CCEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC001335395656 920166561 /nfs/dbraw/zinc/16/65/61/920166561.db2.gz XHQBPPHQWNRHPS-ZIAGYGMSSA-N 2 0 268.405 0.124 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001335540092 920262287 /nfs/dbraw/zinc/26/22/87/920262287.db2.gz WQZCOVYSTPRUTR-UKRRQHHQSA-N 2 0 278.400 0.464 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC001336784314 921008516 /nfs/dbraw/zinc/00/85/16/921008516.db2.gz PMXNXFJUBMNSEE-ZDUSSCGKSA-N 2 0 254.374 0.197 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001336878377 921078676 /nfs/dbraw/zinc/07/86/76/921078676.db2.gz ZEJWWJLMQPCXEF-KBPBESRZSA-N 2 0 280.416 0.568 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC001340105968 921960723 /nfs/dbraw/zinc/96/07/23/921960723.db2.gz PZZMTDAHHUODHG-UHFFFAOYSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001340937112 922282684 /nfs/dbraw/zinc/28/26/84/922282684.db2.gz VIBHKQDEWRPYIX-KBPBESRZSA-N 2 0 263.385 0.447 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341236542 922391606 /nfs/dbraw/zinc/39/16/06/922391606.db2.gz OQQXDFGRRZPIIB-VXGBXAGGSA-N 2 0 252.362 0.595 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001341590708 922571330 /nfs/dbraw/zinc/57/13/30/922571330.db2.gz GTHMGVATRQAKSA-NHCYSSNCSA-N 2 0 257.765 0.796 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCC[NH2+]C1 ZINC001342176501 922849006 /nfs/dbraw/zinc/84/90/06/922849006.db2.gz ZXMGQDIZZVJTHT-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001343507981 923355761 /nfs/dbraw/zinc/35/57/61/923355761.db2.gz IYNLFNRDOHZZPC-KBPBESRZSA-N 2 0 280.416 0.176 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CC[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC001345152712 923809671 /nfs/dbraw/zinc/80/96/71/923809671.db2.gz GRYLJKQGNJMTMM-SCRDCRAPSA-N 2 0 251.374 0.928 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC001353908577 925960507 /nfs/dbraw/zinc/96/05/07/925960507.db2.gz TVLJWNMTVBVPNI-CQSZACIVSA-N 2 0 263.385 0.446 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001356473379 926388965 /nfs/dbraw/zinc/38/89/65/926388965.db2.gz SEQYAEJAGRUOCU-QWRGUYRKSA-N 2 0 250.346 0.266 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001356585790 926405620 /nfs/dbraw/zinc/40/56/20/926405620.db2.gz VUPOJADAULXBIK-AWEZNQCLSA-N 2 0 268.405 0.124 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC001446381056 930401902 /nfs/dbraw/zinc/40/19/02/930401902.db2.gz ICEFMEILBKWGQA-CYBMUJFWSA-N 2 0 269.389 0.019 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000572149118 358927839 /nfs/dbraw/zinc/92/78/39/358927839.db2.gz VHXNNXJPLHGKPH-HZPDHXFCSA-N 2 0 296.459 0.903 20 30 CCEDRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000593918926 360214958 /nfs/dbraw/zinc/21/49/58/360214958.db2.gz LEMWQRFZIREWLO-ZDUSSCGKSA-N 2 0 266.389 0.952 20 30 CCEDRP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436622 360306137 /nfs/dbraw/zinc/30/61/37/360306137.db2.gz FAPSBCWWSCSQGO-GFCCVEGCSA-N 2 0 254.378 0.854 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000594427886 360301829 /nfs/dbraw/zinc/30/18/29/360301829.db2.gz WLAVUGXSKRERCZ-VXGBXAGGSA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000594437088 360305798 /nfs/dbraw/zinc/30/57/98/360305798.db2.gz USONYPLXFLTMLJ-RWMBFGLXSA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000594442391 360309977 /nfs/dbraw/zinc/30/99/77/360309977.db2.gz QVVQNZLZJIDLNJ-WOPDTQHZSA-N 2 0 252.362 0.784 20 30 CCEDRP COC[C@]1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCC[NH2+]1 ZINC000594443698 360311473 /nfs/dbraw/zinc/31/14/73/360311473.db2.gz HVHPOVHRMKNDBP-TZMCWYRMSA-N 2 0 282.388 0.282 20 30 CCEDRP CN1CCC([N@@H+]2CC[C@H](Nc3cc(C#N)cnn3)C2)CC1 ZINC000596123473 360802882 /nfs/dbraw/zinc/80/28/82/360802882.db2.gz NMILATBVLBFVSZ-ZDUSSCGKSA-N 2 0 286.383 0.351 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC#N ZINC000355985531 285275930 /nfs/dbraw/zinc/27/59/30/285275930.db2.gz KQIXWIJLFCGIPG-ZDUSSCGKSA-N 2 0 266.389 0.775 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000305724944 389088159 /nfs/dbraw/zinc/08/81/59/389088159.db2.gz LFEQUHRWXKNING-LSDHHAIUSA-N 2 0 295.427 0.728 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345723263 389313352 /nfs/dbraw/zinc/31/33/52/389313352.db2.gz UXLPIRRGSNWQRR-JTQLQIEISA-N 2 0 261.316 0.736 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261995950 389279770 /nfs/dbraw/zinc/27/97/70/389279770.db2.gz SITGTHYLYJYCSU-CHWSQXEVSA-N 2 0 292.431 0.814 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@](C)(O)c1ccco1 ZINC000262495270 389287164 /nfs/dbraw/zinc/28/71/64/389287164.db2.gz ZZGRAAYCXHJXEK-SWLSCSKDSA-N 2 0 294.399 0.604 20 30 CCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCCCC1 ZINC000262790215 389294957 /nfs/dbraw/zinc/29/49/57/389294957.db2.gz NXFMWPYCAVFGHN-CYBMUJFWSA-N 2 0 265.405 0.223 20 30 CCEDRP CN(C)C(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264118677 389307877 /nfs/dbraw/zinc/30/78/77/389307877.db2.gz UFGZIAYLFJJHOO-UHFFFAOYSA-N 3 0 290.415 0.470 20 30 CCEDRP C[C@@H](O)CC[N@H+](C)CC#CC[NH+](C)CC[C@H](C)O ZINC000351440007 389582933 /nfs/dbraw/zinc/58/29/33/389582933.db2.gz ZZQUTJRRFPOEHI-OKILXGFUSA-N 2 0 256.390 0.395 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000417529498 389827167 /nfs/dbraw/zinc/82/71/67/389827167.db2.gz PTHCDCCTNATYKD-UHFFFAOYSA-N 2 0 266.389 0.768 20 30 CCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333163 389984619 /nfs/dbraw/zinc/98/46/19/389984619.db2.gz FDCMFLNQZMPVHJ-QWHCGFSZSA-N 2 0 251.374 0.610 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](C)CC ZINC000491682177 390115953 /nfs/dbraw/zinc/11/59/53/390115953.db2.gz QDLLAVORSCAXHM-UHFFFAOYSA-N 2 0 254.378 0.192 20 30 CCEDRP CC1CC[NH+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000580408111 390244519 /nfs/dbraw/zinc/24/45/19/390244519.db2.gz WBQDVIYGPSAHBU-MRXNPFEDSA-N 2 0 296.459 0.904 20 30 CCEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644638524 390272636 /nfs/dbraw/zinc/27/26/36/390272636.db2.gz KODMOYMWYNDQGI-JYJNAYRXSA-N 2 0 297.443 0.166 20 30 CCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000515054569 390471776 /nfs/dbraw/zinc/47/17/76/390471776.db2.gz CKPVIZUUCYKVNE-CQSZACIVSA-N 2 0 282.432 0.514 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000565597951 390527624 /nfs/dbraw/zinc/52/76/24/390527624.db2.gz WZMZUYMZNKUPTG-GFCCVEGCSA-N 2 0 250.346 0.386 20 30 CCEDRP C#CCNC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000758173848 581724338 /nfs/dbraw/zinc/72/43/38/581724338.db2.gz XSWSWJRQFRRGGX-UHFFFAOYSA-N 2 0 284.473 0.700 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759932 414768443 /nfs/dbraw/zinc/76/84/43/414768443.db2.gz UNUNYNBFHQJWRI-UKRRQHHQSA-N 2 0 280.416 0.047 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662412810 414715674 /nfs/dbraw/zinc/71/56/74/414715674.db2.gz QWTRFYDPRJAHIN-OCCSQVGLSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721176 414746151 /nfs/dbraw/zinc/74/61/51/414746151.db2.gz KVBQQUVHXKWRHX-UKRRQHHQSA-N 2 0 281.400 0.522 20 30 CCEDRP C[NH+]=C(NCCn1cccc1)NC[C@@H]1CCC[N@@H+]1C ZINC000153236580 261075832 /nfs/dbraw/zinc/07/58/32/261075832.db2.gz VYTXUNVGGPADHJ-ZDUSSCGKSA-N 2 0 263.389 0.747 20 30 CCEDRP C#CCN(CC)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000490778947 261207671 /nfs/dbraw/zinc/20/76/71/261207671.db2.gz PEPPZEDZCQUSBA-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000342140919 263391359 /nfs/dbraw/zinc/39/13/59/263391359.db2.gz YPJTYIKAYQNQCO-QKPAOTATSA-N 2 0 280.412 0.395 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252700654 264306149 /nfs/dbraw/zinc/30/61/49/264306149.db2.gz AUDATBYTYOANDJ-CHWSQXEVSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252882510 264319121 /nfs/dbraw/zinc/31/91/21/264319121.db2.gz ZNEPSNUOLSUNRR-ZDEQEGDKSA-N 2 0 251.374 0.736 20 30 CCEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129590092 264328238 /nfs/dbraw/zinc/32/82/38/264328238.db2.gz KGUQJTAJYLKZDA-IHRRRGAJSA-N 2 0 274.368 0.904 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072962 327146600 /nfs/dbraw/zinc/14/66/00/327146600.db2.gz PECJGOAUQRMZPF-GFCCVEGCSA-N 2 0 269.389 0.507 20 30 CCEDRP C=C(C)CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569548842 327196536 /nfs/dbraw/zinc/19/65/36/327196536.db2.gz PPRMTYSQEXYBCC-UHFFFAOYSA-N 2 0 277.434 0.318 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912843 329072471 /nfs/dbraw/zinc/07/24/71/329072471.db2.gz ZDTKIIJNBDWCJE-UHFFFAOYSA-N 2 0 256.394 0.658 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000262438563 330012856 /nfs/dbraw/zinc/01/28/56/330012856.db2.gz GXZTVWZAXVCLKN-VXGBXAGGSA-N 2 0 266.389 0.506 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262489291 330017159 /nfs/dbraw/zinc/01/71/59/330017159.db2.gz UIKNCOGIMNJJSR-UONOGXRCSA-N 2 0 282.432 1.000 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000262501533 330017993 /nfs/dbraw/zinc/01/79/93/330017993.db2.gz YPFBIHGHKQWUCN-CHWSQXEVSA-N 2 0 268.405 0.896 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CCN(C2CC2)C1 ZINC000262737436 330029033 /nfs/dbraw/zinc/02/90/33/330029033.db2.gz CUBIGYPWHGAOSL-GXTWGEPZSA-N 2 0 296.415 0.194 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NCC(C)(C)SC ZINC000262795256 330032068 /nfs/dbraw/zinc/03/20/68/330032068.db2.gz PJCLYHQVPPGLRH-GFCCVEGCSA-N 2 0 299.488 0.293 20 30 CCEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCN(C(C)=O)CC1 ZINC000263255662 330050962 /nfs/dbraw/zinc/05/09/62/330050962.db2.gz QNURGKMOZCILRO-AWEZNQCLSA-N 2 0 295.431 0.066 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000424130522 330261446 /nfs/dbraw/zinc/26/14/46/330261446.db2.gz FMCVJMBNKZHPPF-LBPRGKRZSA-N 2 0 252.362 0.610 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143031 330286661 /nfs/dbraw/zinc/28/66/61/330286661.db2.gz VUKNOKNGRVHHNZ-KBPBESRZSA-N 2 0 296.415 0.481 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172724 330312750 /nfs/dbraw/zinc/31/27/50/330312750.db2.gz DHULQMHSJJGHOC-NEPJUHHUSA-N 2 0 252.362 0.560 20 30 CCEDRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424174596 330314392 /nfs/dbraw/zinc/31/43/92/330314392.db2.gz MTJVRJXBXWTBHJ-VXGBXAGGSA-N 2 0 266.389 0.902 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000424197782 330326117 /nfs/dbraw/zinc/32/61/17/330326117.db2.gz OQVTYKBTANYDGC-NEPJUHHUSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524571 330368591 /nfs/dbraw/zinc/36/85/91/330368591.db2.gz QKDWOQKBDWYVFO-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](C)CC2)CC1 ZINC000490761209 332113338 /nfs/dbraw/zinc/11/33/38/332113338.db2.gz SIYANZXYVUGYMX-HNNXBMFYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000491308118 332187283 /nfs/dbraw/zinc/18/72/83/332187283.db2.gz SSQBOAUZBSRZPO-GFCCVEGCSA-N 2 0 254.378 0.224 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000491327641 332191508 /nfs/dbraw/zinc/19/15/08/332191508.db2.gz XDMONXQDNOCUFN-ZDUSSCGKSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000491535463 332231397 /nfs/dbraw/zinc/23/13/97/332231397.db2.gz BXGKJVXWKSSMRI-OAHLLOKOSA-N 2 0 292.427 0.821 20 30 CCEDRP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000491617002 332243848 /nfs/dbraw/zinc/24/38/48/332243848.db2.gz AMYXOXGPDJEOSY-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000491682940 332285621 /nfs/dbraw/zinc/28/56/21/332285621.db2.gz VSZNVFAGQXKFRD-UHFFFAOYSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC000491712491 332303759 /nfs/dbraw/zinc/30/37/59/332303759.db2.gz YODXJOHKWDXEKO-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000491809195 332361917 /nfs/dbraw/zinc/36/19/17/332361917.db2.gz XJYCBMUOCSDJKG-QWHCGFSZSA-N 2 0 266.389 0.239 20 30 CCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000521994550 333229493 /nfs/dbraw/zinc/22/94/93/333229493.db2.gz DAFDGPYIYZIPFM-KRWDZBQOSA-N 2 0 287.407 0.236 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000577055532 335292180 /nfs/dbraw/zinc/29/21/80/335292180.db2.gz RCJFDVAAZAIDDI-LSDHHAIUSA-N 2 0 282.432 0.514 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCC1 ZINC000305843397 649884883 /nfs/dbraw/zinc/88/48/83/649884883.db2.gz HTJWIBFNJOXTPS-LBPRGKRZSA-N 2 0 268.405 0.944 20 30 CCEDRP COC(=O)CCC[NH+]1CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000779795538 581205935 /nfs/dbraw/zinc/20/59/35/581205935.db2.gz VQANFFYYQAGQFR-NSHDSACASA-N 2 0 295.387 0.329 20 30 CCEDRP C#CCNC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000758219425 581728111 /nfs/dbraw/zinc/72/81/11/581728111.db2.gz LLNSPIOJWPVWOL-AWEZNQCLSA-N 2 0 296.484 0.842 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000743492285 581814254 /nfs/dbraw/zinc/81/42/54/581814254.db2.gz SDVDQPCJRDIFFY-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000764587321 582057280 /nfs/dbraw/zinc/05/72/80/582057280.db2.gz QDJZSCHXFZDYOL-OLZOCXBDSA-N 2 0 251.374 0.799 20 30 CCEDRP CC(C)(CC[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867980861 614083499 /nfs/dbraw/zinc/08/34/99/614083499.db2.gz ZYJIPHXNWFJZHV-AWEZNQCLSA-N 2 0 286.379 0.989 20 30 CCEDRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000884250566 614225265 /nfs/dbraw/zinc/22/52/65/614225265.db2.gz HXIRJVHTKZVJQG-VWYCJHECSA-N 2 0 252.362 0.224 20 30 CCEDRP C#CCC(CC#C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000806933042 612966358 /nfs/dbraw/zinc/96/63/58/612966358.db2.gz BBAXUDRYOQXYGB-UHFFFAOYSA-N 2 0 277.412 0.601 20 30 CCEDRP C#CCO[C@H](C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855415194 613001129 /nfs/dbraw/zinc/00/11/29/613001129.db2.gz UDXUSWRAJYCBTJ-CYBMUJFWSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944168209 613016872 /nfs/dbraw/zinc/01/68/72/613016872.db2.gz HPHBHBQYADKWGV-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[C@@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883125915 613030347 /nfs/dbraw/zinc/03/03/47/613030347.db2.gz YWBWMPZODBSUNS-LBPRGKRZSA-N 2 0 256.309 0.741 20 30 CCEDRP C#CCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481399 613036938 /nfs/dbraw/zinc/03/69/38/613036938.db2.gz YNUJBDFSXPAXSI-AWEZNQCLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962292473 613043058 /nfs/dbraw/zinc/04/30/58/613043058.db2.gz IQEZLEMCKPQHDV-NYTXWWLZSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000891921812 613073857 /nfs/dbraw/zinc/07/38/57/613073857.db2.gz WDTWEZJUPNHCFP-UHFFFAOYSA-N 2 0 280.416 0.854 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000895057950 613074398 /nfs/dbraw/zinc/07/43/98/613074398.db2.gz XQZKAGMQRXSHEL-GJZGRUSLSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000895056121 613075260 /nfs/dbraw/zinc/07/52/60/613075260.db2.gz CJHKNFDNVYOFEP-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972734170 613081141 /nfs/dbraw/zinc/08/11/41/613081141.db2.gz WLTYHWCZYVVFOT-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000970325458 613117530 /nfs/dbraw/zinc/11/75/30/613117530.db2.gz GCWOKPICYJXUJW-MJBXVCDLSA-N 2 0 277.412 0.786 20 30 CCEDRP C#C[C@H](CCC)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000820666867 613123808 /nfs/dbraw/zinc/12/38/08/613123808.db2.gz NOAXFHILCMGNHH-CQSZACIVSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960175165 613315663 /nfs/dbraw/zinc/31/56/63/613315663.db2.gz MSFWFFNEZIISTH-LJISPDSOSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000960264759 613316823 /nfs/dbraw/zinc/31/68/23/613316823.db2.gz IQHZFQVQKUPZCX-CAOSSQGBSA-N 2 0 289.423 0.644 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879251355 613324356 /nfs/dbraw/zinc/32/43/56/613324356.db2.gz UUXKHEBQZCGTQE-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000907835079 613363445 /nfs/dbraw/zinc/36/34/45/613363445.db2.gz CXPHZXCRNGSCSS-CQSZACIVSA-N 2 0 283.416 0.673 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000907612753 613364726 /nfs/dbraw/zinc/36/47/26/613364726.db2.gz JNPNSQTVYDHMMJ-UHFFFAOYSA-N 2 0 269.389 0.333 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000908118976 613365578 /nfs/dbraw/zinc/36/55/78/613365578.db2.gz OOFPWKFJGWCEAH-AWEZNQCLSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000876859275 613387714 /nfs/dbraw/zinc/38/77/14/613387714.db2.gz DNVZZDXHIISWQK-GRYCIOLGSA-N 2 0 271.792 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000876827285 613389335 /nfs/dbraw/zinc/38/93/35/613389335.db2.gz NCQVXFMAEYKTDK-WDEREUQCSA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000876950506 613389884 /nfs/dbraw/zinc/38/98/84/613389884.db2.gz OVHQWINGSAXYQD-NSHDSACASA-N 2 0 259.781 0.962 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+](C)CCOC ZINC000876728597 613390034 /nfs/dbraw/zinc/39/00/34/613390034.db2.gz QJNMEHULSXLJJO-NSHDSACASA-N 2 0 277.796 0.541 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000876847244 613390328 /nfs/dbraw/zinc/39/03/28/613390328.db2.gz AZACQMQRKGBPGE-CDEVMZEPSA-N 2 0 259.781 0.959 20 30 CCEDRP C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926725721 613492261 /nfs/dbraw/zinc/49/22/61/613492261.db2.gz BKYUGZPVDLTYQT-RLAWYHOSSA-N 2 0 254.374 0.765 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374649 613551776 /nfs/dbraw/zinc/55/17/76/613551776.db2.gz NUPXANQEPBQJDW-GJZGRUSLSA-N 2 0 295.427 0.313 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC000960599178 613637222 /nfs/dbraw/zinc/63/72/22/613637222.db2.gz ZMEOVGVVBMAJBH-BARDWOONSA-N 2 0 275.396 0.540 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961594336 613637421 /nfs/dbraw/zinc/63/74/21/613637421.db2.gz DYKRBRBGYYRXTM-RFBLXINOSA-N 2 0 289.423 0.786 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961958917 613837658 /nfs/dbraw/zinc/83/76/58/613837658.db2.gz RJGHPOYVXCZJMT-FOLVSLTJSA-N 2 0 277.412 0.951 20 30 CCEDRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834499845 614324404 /nfs/dbraw/zinc/32/44/04/614324404.db2.gz NKHIMQCJNNOVHA-CHWSQXEVSA-N 2 0 264.373 0.335 20 30 CCEDRP CC[NH+](CC)C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198448 615003400 /nfs/dbraw/zinc/00/34/00/615003400.db2.gz WXKUCHPLHUAYKR-REWIBIJMSA-N 2 0 292.427 0.972 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884246590 615013427 /nfs/dbraw/zinc/01/34/27/615013427.db2.gz UHELPQDEAHRXBB-IOSBVQAASA-N 2 0 290.411 0.726 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852866145 615760511 /nfs/dbraw/zinc/76/05/11/615760511.db2.gz SRSOMHSYXLVEFM-HNNXBMFYSA-N 2 0 275.396 0.685 20 30 CCEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884176418 615867487 /nfs/dbraw/zinc/86/74/87/615867487.db2.gz FGBYMRUDCYLKFR-UYJPIKCFSA-N 2 0 292.427 0.830 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884325595 616083413 /nfs/dbraw/zinc/08/34/13/616083413.db2.gz VQSYTKDVTREIRI-MFOWVQHXSA-N 2 0 290.411 0.678 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026148452 625343754 /nfs/dbraw/zinc/34/37/54/625343754.db2.gz KFXTXZJVOXQFBO-LRDNVRMFSA-N 2 0 275.396 0.539 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001022612686 622589220 /nfs/dbraw/zinc/58/92/20/622589220.db2.gz BHORPTGHFWPRMQ-BETUJISGSA-N 2 0 275.352 0.825 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001022716693 622693520 /nfs/dbraw/zinc/69/35/20/622693520.db2.gz FRCVGVWQKKXLQB-BETUJISGSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446434 623034284 /nfs/dbraw/zinc/03/42/84/623034284.db2.gz PMESNJGRPBFVPH-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC)C1 ZINC001024022323 623198226 /nfs/dbraw/zinc/19/82/26/623198226.db2.gz UHIWBWWAJKZNQZ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000177893295 623485986 /nfs/dbraw/zinc/48/59/86/623485986.db2.gz HJUCUCPQAGEFHZ-UHFFFAOYSA-N 2 0 273.384 0.731 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001020589095 624543800 /nfs/dbraw/zinc/54/38/00/624543800.db2.gz WTSUMMCSJGBUGQ-AVGNSLFASA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C(C)C)C2)CC1 ZINC001021090574 624657884 /nfs/dbraw/zinc/65/78/84/624657884.db2.gz ZMNTWEKKSWEGBU-SHTZXODSSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585029 625049381 /nfs/dbraw/zinc/04/93/81/625049381.db2.gz JLYMXNPARATPFQ-SOUVJXGZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001027332291 625834324 /nfs/dbraw/zinc/83/43/24/625834324.db2.gz MYBHKWIRVAFBQL-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001027443808 625885490 /nfs/dbraw/zinc/88/54/90/625885490.db2.gz OYBNRZYXNHYZEH-CABCVRRESA-N 2 0 277.412 0.883 20 30 CCEDRP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178991351 631935077 /nfs/dbraw/zinc/93/50/77/631935077.db2.gz OXQQQXPNOQSXLL-OAHLLOKOSA-N 2 0 287.411 0.133 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986353699 632745628 /nfs/dbraw/zinc/74/56/28/632745628.db2.gz JDPQZMZHVSISNX-GXTWGEPZSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986825364 632802358 /nfs/dbraw/zinc/80/23/58/632802358.db2.gz MHKUTQGIKDKDQE-JSGCOSHPSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661315 633339813 /nfs/dbraw/zinc/33/98/13/633339813.db2.gz FYUPDBIOUZSTRL-CQSZACIVSA-N 2 0 263.385 0.496 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681761 633343218 /nfs/dbraw/zinc/34/32/18/633343218.db2.gz FVPXNEWIDNJPST-OLZOCXBDSA-N 2 0 263.385 0.847 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000990244909 633493637 /nfs/dbraw/zinc/49/36/37/633493637.db2.gz PIBXYEJBRZTCAE-CYBMUJFWSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009226242 650140492 /nfs/dbraw/zinc/14/04/92/650140492.db2.gz PDAJLSCQDXSQTG-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996996744 638847805 /nfs/dbraw/zinc/84/78/05/638847805.db2.gz ZSALBTOIBHWQAT-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997299922 638862270 /nfs/dbraw/zinc/86/22/70/638862270.db2.gz RJRSYRDDRDWBMT-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997306267 638862528 /nfs/dbraw/zinc/86/25/28/638862528.db2.gz BFWIENTYAKHLQN-UHFFFAOYSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999707615 638994251 /nfs/dbraw/zinc/99/42/51/638994251.db2.gz IPZLHXXDVLOVAE-UHFFFAOYSA-N 2 0 261.369 0.294 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000081758 639037280 /nfs/dbraw/zinc/03/72/80/639037280.db2.gz MXZMYQZRZSEMSQ-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002860236 639468683 /nfs/dbraw/zinc/46/86/83/639468683.db2.gz JKVMFAISGHNIKG-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334179 650556128 /nfs/dbraw/zinc/55/61/28/650556128.db2.gz GYWDFQXIRFLVFL-IOSBVQAASA-N 2 0 291.395 0.226 20 30 CCEDRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@@H]1CCC[NH2+]C1 ZINC000834484862 642576958 /nfs/dbraw/zinc/57/69/58/642576958.db2.gz OIXAJVYINOBROV-FVCCEPFGSA-N 2 0 264.373 0.240 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016969156 650774587 /nfs/dbraw/zinc/77/45/87/650774587.db2.gz JWEACOOOAVRITB-UONOGXRCSA-N 2 0 275.396 0.542 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844194755 643177332 /nfs/dbraw/zinc/17/73/32/643177332.db2.gz KDKKXKXBPZOHTF-CHWSQXEVSA-N 2 0 264.373 0.480 20 30 CCEDRP C[C@@H]1C[N@H+](CCC[NH+]=C(N(C)C)N(C)C)CCCO1 ZINC000849022584 643702429 /nfs/dbraw/zinc/70/24/29/643702429.db2.gz LOZPCPZAELSVHQ-CYBMUJFWSA-N 2 0 270.421 0.967 20 30 CCEDRP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852868667 644033560 /nfs/dbraw/zinc/03/35/60/644033560.db2.gz UJAAMZSXXQWSBZ-JSGCOSHPSA-N 2 0 263.385 0.588 20 30 CCEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC000868007675 645702935 /nfs/dbraw/zinc/70/29/35/645702935.db2.gz RVPIFMCUXZWEFY-YPMHNXCESA-N 2 0 266.389 0.902 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876517486 646617414 /nfs/dbraw/zinc/61/74/14/646617414.db2.gz SSTZDPSWVIRNOJ-WFASDCNBSA-N 2 0 284.363 0.552 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876803150 646669977 /nfs/dbraw/zinc/66/99/77/646669977.db2.gz UNMVZESXFCALLF-DZGCQCFKSA-N 2 0 284.363 0.103 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884287010 647695301 /nfs/dbraw/zinc/69/53/01/647695301.db2.gz QTSAERIXRDVEBO-GSEDWXNXSA-N 2 0 290.411 0.628 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@H]3CCC[C@]3([NH3+])C1)C2 ZINC000884426942 647734524 /nfs/dbraw/zinc/73/45/24/647734524.db2.gz ZFMBXSFIFRZYCI-HPUSUJLFSA-N 2 0 288.395 0.466 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160784 648203877 /nfs/dbraw/zinc/20/38/77/648203877.db2.gz CSSAKIFFTPGITM-KGLIPLIRSA-N 2 0 299.463 0.198 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303370054 649817466 /nfs/dbraw/zinc/81/74/66/649817466.db2.gz JYDUSHJPQYAXNM-LBPRGKRZSA-N 2 0 297.447 0.667 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303873838 649825759 /nfs/dbraw/zinc/82/57/59/649825759.db2.gz CUDJJWYZVXXEJE-UHFFFAOYSA-N 2 0 256.394 0.755 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303865696 649825851 /nfs/dbraw/zinc/82/58/51/649825851.db2.gz BTJHZUYUHPRXJK-AWEZNQCLSA-N 3 0 281.448 0.717 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NC(C)C)CC1 ZINC000303876763 649825935 /nfs/dbraw/zinc/82/59/35/649825935.db2.gz IISZFQYGMYIOFD-CYBMUJFWSA-N 2 0 269.437 0.573 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCC2CCC2)CC1 ZINC000303881970 649826230 /nfs/dbraw/zinc/82/62/30/649826230.db2.gz HYEYHMDCEPNZCB-CYBMUJFWSA-N 2 0 281.448 0.717 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303877773 649826327 /nfs/dbraw/zinc/82/63/27/649826327.db2.gz FPNKOKAHQXRILO-UHFFFAOYSA-N 2 0 267.421 0.425 20 30 CCEDRP CC(C)CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303887535 649826489 /nfs/dbraw/zinc/82/64/89/649826489.db2.gz OLJLXBULVSKDPN-AWEZNQCLSA-N 2 0 283.464 0.820 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303890278 649826577 /nfs/dbraw/zinc/82/65/77/649826577.db2.gz MNIIBEBWSIZDGT-UHFFFAOYSA-N 2 0 254.378 0.579 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCSCC1 ZINC000304822185 649839540 /nfs/dbraw/zinc/83/95/40/649839540.db2.gz CSWFUUQYVIMJOQ-LBPRGKRZSA-N 2 0 288.461 0.707 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230367441 805596531 /nfs/dbraw/zinc/59/65/31/805596531.db2.gz XQYVBIKPDSNWHV-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001277719213 805984706 /nfs/dbraw/zinc/98/47/06/805984706.db2.gz ZLIRKHXQBYACPK-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701894 791156209 /nfs/dbraw/zinc/15/62/09/791156209.db2.gz IIJAEHLAJROKEL-CYBMUJFWSA-N 2 0 251.374 0.562 20 30 CCEDRP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723669894 791266537 /nfs/dbraw/zinc/26/65/37/791266537.db2.gz LQWMYRIMGISGIX-ZDUSSCGKSA-N 2 0 251.374 0.858 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266826147 791271424 /nfs/dbraw/zinc/27/14/24/791271424.db2.gz OANMOGBHGQFMLW-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266939218 791375469 /nfs/dbraw/zinc/37/54/69/791375469.db2.gz COIXXAAAEARHPS-JHJVBQTASA-N 2 0 253.390 0.997 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCOC)CC1 ZINC001267117107 791557936 /nfs/dbraw/zinc/55/79/36/791557936.db2.gz MZGNZUSWQPVWNX-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267121549 791564556 /nfs/dbraw/zinc/56/45/56/791564556.db2.gz CAZWUGAUMRDEPN-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277819049 806146608 /nfs/dbraw/zinc/14/66/08/806146608.db2.gz HGMJOCCCHSTUFO-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCO)CC1 ZINC001236434741 806591212 /nfs/dbraw/zinc/59/12/12/806591212.db2.gz WMDYJWJCUVVYJL-UHFFFAOYSA-N 2 0 253.390 0.270 20 30 CCEDRP CN(C)c1cc[nH+]c(CNC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC001122150444 799155742 /nfs/dbraw/zinc/15/57/42/799155742.db2.gz AEPPXSVSSJJZGS-CYBMUJFWSA-N 2 0 275.356 0.785 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122277539 799185207 /nfs/dbraw/zinc/18/52/07/799185207.db2.gz MDHICXBSZLPAQV-CQSZACIVSA-N 2 0 295.431 0.199 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150620921 800351852 /nfs/dbraw/zinc/35/18/52/800351852.db2.gz YXYADMYZNUJHTM-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](F)CC)CC1 ZINC001152324127 800510143 /nfs/dbraw/zinc/51/01/43/800510143.db2.gz MDTKGJCDBCXQMR-AWEZNQCLSA-N 2 0 283.391 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC=C)CC1 ZINC001152330356 800510799 /nfs/dbraw/zinc/51/07/99/800510799.db2.gz MNRSLQBTAYMYSP-UHFFFAOYSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)COC)CC1 ZINC001152330791 800511489 /nfs/dbraw/zinc/51/14/89/800511489.db2.gz VDOYXSGLIVLCRX-CYBMUJFWSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCF ZINC001153890987 800687122 /nfs/dbraw/zinc/68/71/22/800687122.db2.gz FBLHWDGVERNPBG-KGLIPLIRSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154903984 800865882 /nfs/dbraw/zinc/86/58/82/800865882.db2.gz JXFLCSGVBOWAHD-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157720523 801462178 /nfs/dbraw/zinc/46/21/78/801462178.db2.gz LBGJZZVVPMMPIL-CQSZACIVSA-N 2 0 299.378 0.133 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001157937049 801531847 /nfs/dbraw/zinc/53/18/47/801531847.db2.gz OFHWBNIISXWIPG-MRXNPFEDSA-N 2 0 298.390 0.770 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196014 801588155 /nfs/dbraw/zinc/58/81/55/801588155.db2.gz HRLMVCZECWWQSU-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP CC[C@]([NH3+])(CO)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159739460 801856858 /nfs/dbraw/zinc/85/68/58/801856858.db2.gz HYGPWDZUIWOIAK-CQSZACIVSA-N 2 0 275.356 0.458 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915685 801890079 /nfs/dbraw/zinc/89/00/79/801890079.db2.gz LVUWGESTUXSLNV-CYBMUJFWSA-N 2 0 253.390 0.999 20 30 CCEDRP N#C[C@@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160635949 801984033 /nfs/dbraw/zinc/98/40/33/801984033.db2.gz DMWXIXMXWSBIKZ-MBNYWOFBSA-N 2 0 262.357 0.090 20 30 CCEDRP N#C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160636532 801984679 /nfs/dbraw/zinc/98/46/79/801984679.db2.gz HYIUDPHXYZBRLY-RYUDHWBXSA-N 2 0 250.346 0.218 20 30 CCEDRP N#CCCN(CCC#N)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160749965 802013780 /nfs/dbraw/zinc/01/37/80/802013780.db2.gz CSEATHZPYVRQOP-CYBMUJFWSA-N 2 0 289.383 0.517 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161140168 802099073 /nfs/dbraw/zinc/09/90/73/802099073.db2.gz CYYHHKRNAHUTIC-AVGNSLFASA-N 2 0 284.379 0.945 20 30 CCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161244694 802115261 /nfs/dbraw/zinc/11/52/61/802115261.db2.gz BDUYJTRRZCTKTA-UHFFFAOYSA-N 2 0 298.431 0.115 20 30 CCEDRP Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(C#N)n1 ZINC001162292903 802303538 /nfs/dbraw/zinc/30/35/38/802303538.db2.gz RULVLHFFWBOWSM-UHFFFAOYSA-N 2 0 262.361 0.787 20 30 CCEDRP N#CCc1cc(NCc2nnc3n2CCC[NH2+]C3)cc[nH+]1 ZINC001163022506 802462869 /nfs/dbraw/zinc/46/28/69/802462869.db2.gz ZZGYWAZZTFRGOZ-UHFFFAOYSA-N 2 0 283.339 0.266 20 30 CCEDRP N#CCc1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC001163325225 802534187 /nfs/dbraw/zinc/53/41/87/802534187.db2.gz ARGXTHXXOGNBCV-CABCVRRESA-N 2 0 272.352 0.893 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545096 803417423 /nfs/dbraw/zinc/41/74/23/803417423.db2.gz FITMEWFTEHLOHZ-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207689535 803438638 /nfs/dbraw/zinc/43/86/38/803438638.db2.gz ZYRMFGYHNWSOGA-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207689533 803439347 /nfs/dbraw/zinc/43/93/47/803439347.db2.gz ZYRMFGYHNWSOGA-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334928 803506384 /nfs/dbraw/zinc/50/63/84/803506384.db2.gz OIMYFJXFLGDDCG-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453641 803516019 /nfs/dbraw/zinc/51/60/19/803516019.db2.gz MDMZPLFXUIWQBO-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590026 803548431 /nfs/dbraw/zinc/54/84/31/803548431.db2.gz USVYLGRSANNOJI-CABCVRRESA-N 2 0 275.396 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209677227 803621946 /nfs/dbraw/zinc/62/19/46/803621946.db2.gz CLZNFMRMBJANQG-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026134 803665297 /nfs/dbraw/zinc/66/52/97/803665297.db2.gz SSWYLDOMPLOPMD-QLFBSQMISA-N 2 0 295.427 0.577 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211054076 803666358 /nfs/dbraw/zinc/66/63/58/803666358.db2.gz HTMLCMUYQZHUNG-QLFBSQMISA-N 2 0 295.427 0.577 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2ccnc2)[C@H](OC)C1 ZINC001213239728 803686195 /nfs/dbraw/zinc/68/61/95/803686195.db2.gz YFPHINHRQLQGJE-ZIAGYGMSSA-N 2 0 292.383 0.665 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335702 803734706 /nfs/dbraw/zinc/73/47/06/803734706.db2.gz GJVQVYOCYLLEGW-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215001733 803770786 /nfs/dbraw/zinc/77/07/86/803770786.db2.gz QJRDYAMFGBRGJO-CHWSQXEVSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216226334 803836604 /nfs/dbraw/zinc/83/66/04/803836604.db2.gz SQSSBNMTFLPUDX-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216216811 803837359 /nfs/dbraw/zinc/83/73/59/803837359.db2.gz BJKANGOWQIPIGJ-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)ccn1 ZINC001218525458 803985289 /nfs/dbraw/zinc/98/52/89/803985289.db2.gz WLXJURPWMUAHPC-HNNXBMFYSA-N 2 0 288.395 0.919 20 30 CCEDRP N#Cc1c(NC(=O)[C@H]2CC[C@@H]2[NH3+])sc2c1CC[NH2+]C2 ZINC001218552532 804001972 /nfs/dbraw/zinc/00/19/72/804001972.db2.gz IDSGSAVGAGDQDK-WPRPVWTQSA-N 2 0 276.365 0.941 20 30 CCEDRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC1=CC(=O)CCC1 ZINC001219885353 804441027 /nfs/dbraw/zinc/44/10/27/804441027.db2.gz NFLSIECJPSJYAU-JTQLQIEISA-N 2 0 253.346 0.586 20 30 CCEDRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001277001557 805088327 /nfs/dbraw/zinc/08/83/27/805088327.db2.gz OCILMYXWPLFDNV-RBSFLKMASA-N 2 0 295.427 0.461 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226554704 805245993 /nfs/dbraw/zinc/24/59/93/805245993.db2.gz OMNJIAYSBXXMIK-OAHLLOKOSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246019738 807118861 /nfs/dbraw/zinc/11/88/61/807118861.db2.gz JNEVBIIJHUANPB-MELADBBJSA-N 2 0 254.374 0.304 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048704 807133263 /nfs/dbraw/zinc/13/32/63/807133263.db2.gz ZZXRATWZLUQFNS-IJEWVQPXSA-N 2 0 296.411 0.788 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437565 807195053 /nfs/dbraw/zinc/19/50/53/807195053.db2.gz FTLIIYKOKMDAEO-GDBMZVCRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246305381 807216909 /nfs/dbraw/zinc/21/69/09/807216909.db2.gz QRFPSJZRSCDKPU-MJBXVCDLSA-N 2 0 283.416 0.943 20 30 CCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443480 807232573 /nfs/dbraw/zinc/23/25/73/807232573.db2.gz BBRIPCMTYYWVDT-HNNXBMFYSA-N 2 0 263.385 0.686 20 30 CCEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1 ZINC001246556972 807286312 /nfs/dbraw/zinc/28/63/12/807286312.db2.gz IWCMKTVPAGDZKT-AVGNSLFASA-N 2 0 254.353 0.783 20 30 CCEDRP N#CC1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246824515 807396079 /nfs/dbraw/zinc/39/60/79/807396079.db2.gz YLVJTTBQQDKKGJ-UHFFFAOYSA-N 2 0 279.432 0.153 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001278594631 807611728 /nfs/dbraw/zinc/61/17/28/807611728.db2.gz OMVNZYYWMFHQBZ-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP C[C@@H](CCNC(=O)NCC#CC[NH+](C)C)[NH+](C)C ZINC001251707756 807695941 /nfs/dbraw/zinc/69/59/41/807695941.db2.gz FLCDIGHRGQBMBF-LBPRGKRZSA-N 2 0 254.378 0.191 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001251885080 807734078 /nfs/dbraw/zinc/73/40/78/807734078.db2.gz NISSUUVMXAWRKN-KBPBESRZSA-N 2 0 254.374 0.319 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001278804222 808274328 /nfs/dbraw/zinc/27/43/28/808274328.db2.gz OFTXPZFZLMZTID-CQSZACIVSA-N 2 0 283.416 0.313 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868774 808390606 /nfs/dbraw/zinc/39/06/06/808390606.db2.gz IIQJNGBJUQABCD-UONOGXRCSA-N 2 0 283.416 0.408 20 30 CCEDRP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)CC[N@@H+](C)CC ZINC001278878085 808419376 /nfs/dbraw/zinc/41/93/76/808419376.db2.gz HWSIYTDQEULXDE-CQSZACIVSA-N 2 0 283.416 0.103 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264174029 809636135 /nfs/dbraw/zinc/63/61/35/809636135.db2.gz ORZONGYLVCRGHB-ZNMIVQPWSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076575091 815312106 /nfs/dbraw/zinc/31/21/06/815312106.db2.gz ZTFSPFREYPPBPS-LSDHHAIUSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001076594330 815316230 /nfs/dbraw/zinc/31/62/30/815316230.db2.gz LTOFAACQWZDGPX-ZNMIVQPWSA-N 2 0 293.411 0.426 20 30 CCEDRP C#CCC[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001265862642 809878712 /nfs/dbraw/zinc/87/87/12/809878712.db2.gz FREFFLHMPVLARG-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265930634 809897821 /nfs/dbraw/zinc/89/78/21/809897821.db2.gz FXTXEFZWMGPKKX-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001266190084 809958675 /nfs/dbraw/zinc/95/86/75/809958675.db2.gz YISOFUMQUZUDMA-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001267304782 811125762 /nfs/dbraw/zinc/12/57/62/811125762.db2.gz MAUWKHAYIZRDOB-HNNXBMFYSA-N 2 0 293.411 0.170 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)CC[N@@H+](C)CCC ZINC001267459434 811323234 /nfs/dbraw/zinc/32/32/34/811323234.db2.gz SXZCXDBHRFINJM-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267693206 811658184 /nfs/dbraw/zinc/65/81/84/811658184.db2.gz WGHIPOMRGGLHKC-CYBMUJFWSA-N 2 0 265.401 0.952 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268009914 811948249 /nfs/dbraw/zinc/94/82/49/811948249.db2.gz LFWZRMVEYXSYKS-UONOGXRCSA-N 2 0 267.417 0.938 20 30 CCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098444 812276513 /nfs/dbraw/zinc/27/65/13/812276513.db2.gz QPBSPYJIIHWGHP-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268256819 812424367 /nfs/dbraw/zinc/42/43/67/812424367.db2.gz LRDNWPGUIBANHH-CYBMUJFWSA-N 2 0 253.390 0.904 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619707 812474166 /nfs/dbraw/zinc/47/41/66/812474166.db2.gz LYGIFIJCNNPAKL-SOUVJXGZSA-N 2 0 275.396 0.637 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028267921 812534207 /nfs/dbraw/zinc/53/42/07/812534207.db2.gz OPBCKWVBNYSASY-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268399491 812544966 /nfs/dbraw/zinc/54/49/66/812544966.db2.gz HRVRAXNQVPJJQL-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545363 812832289 /nfs/dbraw/zinc/83/22/89/812832289.db2.gz PBEYPECOTFFGJN-DZGCQCFKSA-N 2 0 275.396 0.400 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268651429 812978943 /nfs/dbraw/zinc/97/89/43/812978943.db2.gz RXNQZDYTEICJQM-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001268756375 813067658 /nfs/dbraw/zinc/06/76/58/813067658.db2.gz JMYXHZNNHYXIFX-KGLIPLIRSA-N 2 0 281.400 0.024 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636226 813071996 /nfs/dbraw/zinc/07/19/96/813071996.db2.gz MKZUEFQGFFZZAX-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001269105530 813218989 /nfs/dbraw/zinc/21/89/89/813218989.db2.gz VHJCMORZTHXBMC-KGLIPLIRSA-N 2 0 263.385 0.588 20 30 CCEDRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#CCOC ZINC001269409204 813361008 /nfs/dbraw/zinc/36/10/08/813361008.db2.gz XANOFPQTRJRKKF-QLFBSQMISA-N 2 0 295.427 0.461 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270436471 813762841 /nfs/dbraw/zinc/76/28/41/813762841.db2.gz ODZMEWVWPFWGJB-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271206789 814334409 /nfs/dbraw/zinc/33/44/09/814334409.db2.gz HTPDEDCSLSGZFD-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271996232 814670894 /nfs/dbraw/zinc/67/08/94/814670894.db2.gz JWDCGQDOMGLWJL-ZBFHGGJFSA-N 2 0 295.427 0.457 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271996229 814671035 /nfs/dbraw/zinc/67/10/35/814671035.db2.gz JWDCGQDOMGLWJL-GOEBONIOSA-N 2 0 295.427 0.457 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001121931740 816487165 /nfs/dbraw/zinc/48/71/65/816487165.db2.gz ROBBYELPWJZWIE-GRYCIOLGSA-N 2 0 250.346 0.087 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282382 816715417 /nfs/dbraw/zinc/71/54/17/816715417.db2.gz DURIWTXESHTNNH-KFWWJZLASA-N 2 0 279.428 0.890 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749775 816979199 /nfs/dbraw/zinc/97/91/99/816979199.db2.gz QDEFWVAESFDJAV-KGLIPLIRSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001031677209 817238638 /nfs/dbraw/zinc/23/86/38/817238638.db2.gz BKTDOGDSHOEXDK-UHFFFAOYSA-N 2 0 291.399 0.292 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077572733 817455961 /nfs/dbraw/zinc/45/59/61/817455961.db2.gz KJUGXTCTLYYAGO-BYNSBNAKSA-N 2 0 295.427 0.454 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978435 817517091 /nfs/dbraw/zinc/51/70/91/817517091.db2.gz SSNKPNGEJVRMKV-AAEUAGOBSA-N 2 0 251.374 0.418 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032315165 817847602 /nfs/dbraw/zinc/84/76/02/817847602.db2.gz DALTZSPAOOIKOA-MELADBBJSA-N 2 0 263.385 0.942 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782745 818052227 /nfs/dbraw/zinc/05/22/27/818052227.db2.gz FVOLVRLPDDBAOH-KBPBESRZSA-N 2 0 287.407 0.732 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782746 818052834 /nfs/dbraw/zinc/05/28/34/818052834.db2.gz FVOLVRLPDDBAOH-KGLIPLIRSA-N 2 0 287.407 0.732 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001272993996 818275692 /nfs/dbraw/zinc/27/56/92/818275692.db2.gz UAZTXVRBTVFYEK-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083246 818498793 /nfs/dbraw/zinc/49/87/93/818498793.db2.gz WJCAPBJTBARORW-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580456 818836469 /nfs/dbraw/zinc/83/64/69/818836469.db2.gz FBKXGBSZEVAFGZ-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CC[C@@H]2CN(C(=O)CCc3cncn3C)[C@@H]2C1 ZINC001084806115 821396758 /nfs/dbraw/zinc/39/67/58/821396758.db2.gz YQMQEHXPIQVSCH-UKRRQHHQSA-N 2 0 286.379 0.519 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086177342 822143790 /nfs/dbraw/zinc/14/37/90/822143790.db2.gz PLKDDYXSFYFEQN-ZQDZILKHSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001086277962 822186016 /nfs/dbraw/zinc/18/60/16/822186016.db2.gz BNQRVHKZNXAGDR-FZNQNYSPSA-N 2 0 287.407 0.449 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183435950 844022362 /nfs/dbraw/zinc/02/23/62/844022362.db2.gz ISJYFBCFKKFNAI-CABCVRRESA-N 2 0 297.443 0.966 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108757392 836522044 /nfs/dbraw/zinc/52/20/44/836522044.db2.gz LMHORAZMXFYVSY-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086534268 836760038 /nfs/dbraw/zinc/76/00/38/836760038.db2.gz YMJGBPIHWVKTQQ-JOCQHMNTSA-N 2 0 261.369 0.200 20 30 CCEDRP C#CCN1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090436381 836781067 /nfs/dbraw/zinc/78/10/67/836781067.db2.gz QDDDSIPDDJZVEI-CABCVRRESA-N 2 0 298.346 0.133 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491341 837893381 /nfs/dbraw/zinc/89/33/81/837893381.db2.gz ZRDRFXOSAUSCFZ-KBPBESRZSA-N 2 0 295.427 0.598 20 30 CCEDRP N#C[C@@H](Nc1cccc(CN2CC[C@@H]([NH3+])C2)c1)C(N)=O ZINC001170535673 837981730 /nfs/dbraw/zinc/98/17/30/837981730.db2.gz IPWBNIQDFFCZBQ-DGCLKSJQSA-N 2 0 273.340 0.009 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374541 838069583 /nfs/dbraw/zinc/06/95/83/838069583.db2.gz FXFIAWRAPLXBIG-UHFFFAOYSA-N 2 0 256.309 0.677 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cncc2C)C[C@@H]1C ZINC001184810970 844290232 /nfs/dbraw/zinc/29/02/32/844290232.db2.gz SYOOASFOHVJLNJ-ZFWWWQNUSA-N 2 0 288.395 0.899 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520088 838121476 /nfs/dbraw/zinc/12/14/76/838121476.db2.gz UACAYTRXEQHGFA-BBBYJDLNSA-N 2 0 293.411 0.522 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886039 838511768 /nfs/dbraw/zinc/51/17/68/838511768.db2.gz AQOYBVFIEOTKQB-KBPBESRZSA-N 2 0 283.416 0.625 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133294313 838591454 /nfs/dbraw/zinc/59/14/54/838591454.db2.gz CAKGYHVXTMZZJM-UHFFFAOYSA-N 2 0 291.370 0.835 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1C ZINC001185379113 844405020 /nfs/dbraw/zinc/40/50/20/844405020.db2.gz AEEQYGNHKMVCBQ-QWHCGFSZSA-N 2 0 274.368 0.660 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093830 839163471 /nfs/dbraw/zinc/16/34/71/839163471.db2.gz STHKLBBXDGQMAO-OLZOCXBDSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743594 839386393 /nfs/dbraw/zinc/38/63/93/839386393.db2.gz MSPBIRXUDGMNTJ-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135861131 839446037 /nfs/dbraw/zinc/44/60/37/839446037.db2.gz MOHTVTBVIBUTRQ-GJZGRUSLSA-N 2 0 297.443 0.851 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090764290 839785943 /nfs/dbraw/zinc/78/59/43/839785943.db2.gz QVKMUVFMBBYZSD-TZMCWYRMSA-N 2 0 292.383 0.388 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001091025949 839993590 /nfs/dbraw/zinc/99/35/90/839993590.db2.gz AXMVIOLUIJOUJW-NRXISQOPSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C(=C)C[NH+](C)C)CC1 ZINC001147843989 840698547 /nfs/dbraw/zinc/69/85/47/840698547.db2.gz SSFUZUFKINVVQE-UHFFFAOYSA-N 2 0 263.385 0.708 20 30 CCEDRP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469778 840809634 /nfs/dbraw/zinc/80/96/34/840809634.db2.gz UZQWJPQBMCFXLC-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788058 840965258 /nfs/dbraw/zinc/96/52/58/840965258.db2.gz RGTUVUGHWTUANI-INMHGKMJSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272299 841003441 /nfs/dbraw/zinc/00/34/41/841003441.db2.gz DBJWLLPFJDNVEW-UXLLHSPISA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092507888 841030731 /nfs/dbraw/zinc/03/07/31/841030731.db2.gz OJHNVWVSRXSBSB-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439399 842999645 /nfs/dbraw/zinc/99/96/45/842999645.db2.gz NMCTYMSYBCREMC-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899767 843334929 /nfs/dbraw/zinc/33/49/29/843334929.db2.gz PLEHOMOBDDUOPQ-IIAWOOMASA-N 2 0 277.412 0.788 20 30 CCEDRP N#Cc1ccccc1CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001181803709 843619831 /nfs/dbraw/zinc/61/98/31/843619831.db2.gz BBYRHIJMYBULPR-UHFFFAOYSA-N 2 0 273.340 0.562 20 30 CCEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189912936 845265554 /nfs/dbraw/zinc/26/55/54/845265554.db2.gz KYGDJIKLZBJKQZ-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP N#Cc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])ccn1 ZINC001191558652 845689950 /nfs/dbraw/zinc/68/99/50/845689950.db2.gz VCKQZEOVALNRQO-UHFFFAOYSA-N 2 0 260.301 0.028 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170393 845796310 /nfs/dbraw/zinc/79/63/10/845796310.db2.gz KVHNGIIYQZAEQD-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487786 846092489 /nfs/dbraw/zinc/09/24/89/846092489.db2.gz FRAXDMQVDURKSN-AWEZNQCLSA-N 2 0 281.400 0.121 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023754 847203788 /nfs/dbraw/zinc/20/37/88/847203788.db2.gz OLKOALDWMKUHQU-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309831 847764289 /nfs/dbraw/zinc/76/42/89/847764289.db2.gz SQOUUBIUCUDJKL-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201930935 847828641 /nfs/dbraw/zinc/82/86/41/847828641.db2.gz HESNMRHRXRRGJM-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114358385 848026473 /nfs/dbraw/zinc/02/64/73/848026473.db2.gz UYDUGWDXUZBODM-RQJABVFESA-N 2 0 281.375 0.346 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114407124 848047497 /nfs/dbraw/zinc/04/74/97/848047497.db2.gz RWJXFTRXMZUNIN-WDNDVIMCSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114438366 848064407 /nfs/dbraw/zinc/06/44/07/848064407.db2.gz AIWUFHPPBOQHOX-DGAVXFQQSA-N 2 0 263.385 0.252 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001273994628 848230530 /nfs/dbraw/zinc/23/05/30/848230530.db2.gz FFCCZZAZQGDLSO-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001274006981 848297172 /nfs/dbraw/zinc/29/71/72/848297172.db2.gz JUIOTORYWIKRHH-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001274250577 848431391 /nfs/dbraw/zinc/43/13/91/848431391.db2.gz IQOCXYZHGIJQMJ-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001274572844 848509590 /nfs/dbraw/zinc/50/95/90/848509590.db2.gz ORVVTCGEZBQDFU-UHFFFAOYSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001275023213 848615677 /nfs/dbraw/zinc/61/56/77/848615677.db2.gz RDQQDCLYIVLUAG-ZIAGYGMSSA-N 2 0 283.416 0.625 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275573958 848765786 /nfs/dbraw/zinc/76/57/86/848765786.db2.gz KXSLHRMJZGDRPW-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001275581419 848768523 /nfs/dbraw/zinc/76/85/23/848768523.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 0 274.368 0.973 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037976900 849615443 /nfs/dbraw/zinc/61/54/43/849615443.db2.gz FGGNQRNGGKIWBA-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC)CC1 ZINC001039042606 850137683 /nfs/dbraw/zinc/13/76/83/850137683.db2.gz UQMAKZMHFHDJPX-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041141576 850384799 /nfs/dbraw/zinc/38/47/99/850384799.db2.gz OOLRCUSCEYIHBI-HOCLYGCPSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828864 850506378 /nfs/dbraw/zinc/50/63/78/850506378.db2.gz JKSKANJXVVXEDH-GDBMZVCRSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198246 851417649 /nfs/dbraw/zinc/41/76/49/851417649.db2.gz UCXOEQHOFBCRMW-HIFRSBDPSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCN1CC[C@@](C)(NC(=O)c2cc(CN(C)C)on2)C1 ZINC001046431652 851499886 /nfs/dbraw/zinc/49/98/86/851499886.db2.gz GLFGKHIKXMIHLN-OAHLLOKOSA-N 2 0 290.367 0.564 20 30 CCEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046830829 851625255 /nfs/dbraw/zinc/62/52/55/851625255.db2.gz BSIVAXGHPKDTII-DZGCQCFKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052932268 852671697 /nfs/dbraw/zinc/67/16/97/852671697.db2.gz KPXXLLZZHVQGQL-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054854248 853024998 /nfs/dbraw/zinc/02/49/98/853024998.db2.gz QXNDSEODQUNBHU-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050183808 853331670 /nfs/dbraw/zinc/33/16/70/853331670.db2.gz SUDZKRIJHBXJDF-LSDHHAIUSA-N 2 0 287.407 0.638 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050202727 853335782 /nfs/dbraw/zinc/33/57/82/853335782.db2.gz RSSYKEWDSVUWIY-ARFHVFGLSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073661695 854626000 /nfs/dbraw/zinc/62/60/00/854626000.db2.gz BUAHTHVOMGGSAY-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001074888569 854795798 /nfs/dbraw/zinc/79/57/98/854795798.db2.gz LAOCWBQVVACRQZ-AVGNSLFASA-N 2 0 251.374 0.539 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2 ZINC001098491118 854869409 /nfs/dbraw/zinc/86/94/09/854869409.db2.gz ZLIIFJVYLCNJQV-UPJWGTAASA-N 2 0 260.341 0.791 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899989 855024614 /nfs/dbraw/zinc/02/46/14/855024614.db2.gz ZOEYTBQCBJZBOP-KBPBESRZSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341462 855284049 /nfs/dbraw/zinc/28/40/49/855284049.db2.gz JYFGQNVIDLQXRV-ZBFHGGJFSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318970 855427526 /nfs/dbraw/zinc/42/75/26/855427526.db2.gz SNGSOUNNCAIDHD-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102781996 855469788 /nfs/dbraw/zinc/46/97/88/855469788.db2.gz GAFVQGXONKKTCH-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP CC[NH+]1CCC([NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001116469866 855773012 /nfs/dbraw/zinc/77/30/12/855773012.db2.gz JBEPEQXKTVWPRP-CCEZHUSRSA-N 2 0 292.383 0.587 20 30 CCEDRP COCC1(CNC(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]CC1 ZINC001118199993 856197978 /nfs/dbraw/zinc/19/79/78/856197978.db2.gz WGEBLBNPNOSPCC-GFCCVEGCSA-N 2 0 282.388 0.140 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001324992868 913133092 /nfs/dbraw/zinc/13/30/92/913133092.db2.gz QRZVPNMWIPHKBR-CYBMUJFWSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325435233 913404496 /nfs/dbraw/zinc/40/44/96/913404496.db2.gz DEODUUBYTLDPDZ-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001493357426 892262690 /nfs/dbraw/zinc/26/26/90/892262690.db2.gz QEUDUEPJNBZMIE-CYBMUJFWSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493357427 892266095 /nfs/dbraw/zinc/26/60/95/892266095.db2.gz QEUDUEPJNBZMIE-ZDUSSCGKSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481503267 892752301 /nfs/dbraw/zinc/75/23/01/892752301.db2.gz GZZPUNGEFVUESM-CQSZACIVSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481506807 892753971 /nfs/dbraw/zinc/75/39/71/892753971.db2.gz LCZAYKKIUPVORA-KGLIPLIRSA-N 2 0 265.401 0.904 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481702928 893044600 /nfs/dbraw/zinc/04/46/00/893044600.db2.gz AIJXQTJLPBZORI-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199952 894139668 /nfs/dbraw/zinc/13/96/68/894139668.db2.gz JVUMDRNBEDYGQJ-PMPSAXMXSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001482744694 894562379 /nfs/dbraw/zinc/56/23/79/894562379.db2.gz AKFTXFUADPRSFS-KBPBESRZSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482833640 894640072 /nfs/dbraw/zinc/64/00/72/894640072.db2.gz OYHPSLLQDWXEAA-GXTWGEPZSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483008772 894799713 /nfs/dbraw/zinc/79/97/13/894799713.db2.gz MZDNDNHDLCQESP-MBVDDHJVSA-N 2 0 275.396 0.614 20 30 CCEDRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001483141419 895021451 /nfs/dbraw/zinc/02/14/51/895021451.db2.gz XHOURSHTNOUBMM-CHWSQXEVSA-N 2 0 269.389 0.071 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483319069 895443687 /nfs/dbraw/zinc/44/36/87/895443687.db2.gz HBUYRRCGRCWOSV-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001483379265 895521636 /nfs/dbraw/zinc/52/16/36/895521636.db2.gz SWJFTAUIYTVRCW-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410357 895544968 /nfs/dbraw/zinc/54/49/68/895544968.db2.gz VHVAWTSIEMLTJM-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484347903 896349463 /nfs/dbraw/zinc/34/94/63/896349463.db2.gz LFMMMWQTKJDIIU-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484687029 896543597 /nfs/dbraw/zinc/54/35/97/896543597.db2.gz YZGNAUGELHSLET-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001484856323 896636332 /nfs/dbraw/zinc/63/63/32/896636332.db2.gz OWQJTYBGJWNEQO-MRXNPFEDSA-N 2 0 297.443 0.846 20 30 CCEDRP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484927905 896667908 /nfs/dbraw/zinc/66/79/08/896667908.db2.gz ZBEXARRZVODRGC-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485539257 897108169 /nfs/dbraw/zinc/10/81/69/897108169.db2.gz ISLLYEMQDXVWOT-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485612913 897148300 /nfs/dbraw/zinc/14/83/00/897148300.db2.gz VVKDSSIPFMTBAV-ZSOGYDGISA-N 2 0 263.385 0.255 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001485623882 897153588 /nfs/dbraw/zinc/15/35/88/897153588.db2.gz OGFOVUMTNFMWLL-QKDCVEJESA-N 2 0 277.412 0.646 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411816 897902760 /nfs/dbraw/zinc/90/27/60/897902760.db2.gz JZQPWVCLHMGITH-KFWWJZLASA-N 2 0 295.427 0.718 20 30 CCEDRP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001486336307 898797732 /nfs/dbraw/zinc/79/77/32/898797732.db2.gz HWIJMLOUDXGERQ-LSDHHAIUSA-N 2 0 297.443 0.798 20 30 CCEDRP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001486336304 898797967 /nfs/dbraw/zinc/79/79/67/898797967.db2.gz HWIJMLOUDXGERQ-CABCVRRESA-N 2 0 297.443 0.798 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2ccnc2C)CCO1 ZINC001327063133 914349318 /nfs/dbraw/zinc/34/93/18/914349318.db2.gz GZNXVIFTXXWUOS-ZDUSSCGKSA-N 2 0 278.356 0.195 20 30 CCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001490509186 900658381 /nfs/dbraw/zinc/65/83/81/900658381.db2.gz FSSKAERFLWAXHA-UHFFFAOYSA-N 2 0 296.459 0.638 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490702064 900710001 /nfs/dbraw/zinc/71/00/01/900710001.db2.gz XGGWMDHMSQJLBB-OAHLLOKOSA-N 2 0 277.412 0.836 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064165 903831566 /nfs/dbraw/zinc/83/15/66/903831566.db2.gz JIUOSLONNZWFGR-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001280847714 903884319 /nfs/dbraw/zinc/88/43/19/903884319.db2.gz AGULVKGSNKNFDM-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001281144206 904230010 /nfs/dbraw/zinc/23/00/10/904230010.db2.gz BBBLSXSIRCDDFJ-MRXNPFEDSA-N 2 0 295.427 0.295 20 30 CCEDRP CC#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001281253913 904251381 /nfs/dbraw/zinc/25/13/81/904251381.db2.gz RLMGMGCSIJWFBU-CQSZACIVSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CCC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001281279579 904256307 /nfs/dbraw/zinc/25/63/07/904256307.db2.gz COJMEZNAZLVSTQ-AWEZNQCLSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001281627469 904313982 /nfs/dbraw/zinc/31/39/82/904313982.db2.gz QTFRKFGOWUATBD-CQSZACIVSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001282057442 904400033 /nfs/dbraw/zinc/40/00/33/904400033.db2.gz LRJAPKBTESJMGD-IYXRBSQSSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001283388363 904834319 /nfs/dbraw/zinc/83/43/19/904834319.db2.gz NTUSVBJDJHIHDU-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001283897435 905077614 /nfs/dbraw/zinc/07/76/14/905077614.db2.gz DJXZAVONONOFKZ-QWHCGFSZSA-N 2 0 263.385 0.540 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[NH+]1CCCC1)C2 ZINC001336978003 921137451 /nfs/dbraw/zinc/13/74/51/921137451.db2.gz OJMNJXSHKSHASY-BBBYJDLNSA-N 2 0 290.411 0.728 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001284819149 905441784 /nfs/dbraw/zinc/44/17/84/905441784.db2.gz ZZHNPURCWQQQEF-HSBZDZAISA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001491602276 907438205 /nfs/dbraw/zinc/43/82/05/907438205.db2.gz OJUFOISNZCJHPT-KGLIPLIRSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317344153 908165600 /nfs/dbraw/zinc/16/56/00/908165600.db2.gz QAUHXGLPNRNNQX-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001316845894 908206441 /nfs/dbraw/zinc/20/64/41/908206441.db2.gz VQRZNZDHIYESDJ-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865548 908806350 /nfs/dbraw/zinc/80/63/50/908806350.db2.gz LZTDFPKKEOCFMW-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316935074 908851678 /nfs/dbraw/zinc/85/16/78/908851678.db2.gz DCTYDSCERSJBPK-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351870 909154961 /nfs/dbraw/zinc/15/49/61/909154961.db2.gz BNXHKEQBBFSCRN-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317491323 909259946 /nfs/dbraw/zinc/25/99/46/909259946.db2.gz UUQVQDAVNQGVCW-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001318299668 909692814 /nfs/dbraw/zinc/69/28/14/909692814.db2.gz KABJLUBVSZPQAW-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCN1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318482616 909775870 /nfs/dbraw/zinc/77/58/70/909775870.db2.gz KOVJHRGYWZTGDG-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318607931 909836460 /nfs/dbraw/zinc/83/64/60/909836460.db2.gz SMXZPXGUKMJWTP-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001320184866 910497770 /nfs/dbraw/zinc/49/77/70/910497770.db2.gz QKTPBUXQRZBEMI-KGLIPLIRSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320737718 910831564 /nfs/dbraw/zinc/83/15/64/910831564.db2.gz MMBIEBNWBHNWAW-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321105923 911089634 /nfs/dbraw/zinc/08/96/34/911089634.db2.gz HRNNJACVVLIFPZ-VFNNOXKTSA-N 2 0 265.401 0.858 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238412 911720202 /nfs/dbraw/zinc/72/02/02/911720202.db2.gz UORQGVTYJDPMLO-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001328377549 915150199 /nfs/dbraw/zinc/15/01/99/915150199.db2.gz LSTMAHCJMPMJOT-ZDUSSCGKSA-N 2 0 297.362 0.999 20 30 CCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001329357699 915836835 /nfs/dbraw/zinc/83/68/35/915836835.db2.gz ABBRYNOQCYCJTQ-CYBMUJFWSA-N 2 0 265.401 0.646 20 30 CCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001330700630 916797963 /nfs/dbraw/zinc/79/79/63/916797963.db2.gz QJWKLONKZQLVBN-HDJSIYSDSA-N 2 0 263.385 0.590 20 30 CCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331330831 917270901 /nfs/dbraw/zinc/27/09/01/917270901.db2.gz SQEYIAAKYIOOPI-CODJXLJASA-N 2 0 264.373 0.368 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332621692 918319400 /nfs/dbraw/zinc/31/94/00/918319400.db2.gz VLIUBIPWHQBTFP-LSDHHAIUSA-N 2 0 297.443 0.798 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001332928828 918540070 /nfs/dbraw/zinc/54/00/70/918540070.db2.gz NLCWVWYSFWEQHJ-VXGBXAGGSA-N 2 0 252.362 0.595 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001332995796 918586812 /nfs/dbraw/zinc/58/68/12/918586812.db2.gz XZGXDTLFWBLCJJ-QJPTWQEYSA-N 2 0 250.346 0.360 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492973574 920027149 /nfs/dbraw/zinc/02/71/49/920027149.db2.gz GQYYPZPHKPXLMS-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC001336770889 920994509 /nfs/dbraw/zinc/99/45/09/920994509.db2.gz LWSZURNPXBTZKA-AWEZNQCLSA-N 2 0 268.401 0.445 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC001336784819 921007843 /nfs/dbraw/zinc/00/78/43/921007843.db2.gz HWXLMNIJWUJVBV-LBPRGKRZSA-N 2 0 250.346 0.476 20 30 CCEDRP C[NH2+][C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC001341764029 922661010 /nfs/dbraw/zinc/66/10/10/922661010.db2.gz HPDQLNUCVVCKOH-QGZVFWFLSA-N 2 0 299.418 0.936 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC001343430080 923311538 /nfs/dbraw/zinc/31/15/38/923311538.db2.gz GAKOSPLTFVBKFR-ZDUSSCGKSA-N 2 0 283.416 0.897 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CCC[NH2+]1 ZINC001344877149 923717603 /nfs/dbraw/zinc/71/76/03/923717603.db2.gz OGZAUYLNHBUURY-YRGRVCCFSA-N 2 0 251.374 0.894 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH2+]C ZINC001353406459 925823657 /nfs/dbraw/zinc/82/36/57/925823657.db2.gz ODSNUTZOBFBVTR-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001355709359 926306174 /nfs/dbraw/zinc/30/61/74/926306174.db2.gz TWDIIKAPJYCSNL-IHRRRGAJSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001357350650 926515448 /nfs/dbraw/zinc/51/54/48/926515448.db2.gz IVNNGLHNNZOBKZ-CQSZACIVSA-N 2 0 283.416 0.633 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600719639 362044823 /nfs/dbraw/zinc/04/48/23/362044823.db2.gz CVXKSOVLLOJJBF-UONOGXRCSA-N 2 0 280.416 0.267 20 30 CCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)C2 ZINC000601968862 362443138 /nfs/dbraw/zinc/44/31/38/362443138.db2.gz IICJGRSWAJNERS-FPMFFAJLSA-N 2 0 264.373 0.466 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602582373 362690954 /nfs/dbraw/zinc/69/09/54/362690954.db2.gz XOHMPKJEFPXVQO-VXGBXAGGSA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602590434 362696215 /nfs/dbraw/zinc/69/62/15/362696215.db2.gz HQMHUXUIDSWGJD-GRYCIOLGSA-N 2 0 250.346 0.360 20 30 CCEDRP C=CCCOCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000305435149 649851205 /nfs/dbraw/zinc/85/12/05/649851205.db2.gz HRECKCBQNABUMQ-ZDUSSCGKSA-N 2 0 268.405 0.968 20 30 CCEDRP C[NH+](C)CCNc1ccc(C#N)c(NCC[NH+](C)C)n1 ZINC000278155998 353284968 /nfs/dbraw/zinc/28/49/68/353284968.db2.gz BTNINSSNYSFINS-UHFFFAOYSA-N 2 0 276.388 0.900 20 30 CCEDRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000593918925 360214923 /nfs/dbraw/zinc/21/49/23/360214923.db2.gz LEMWQRFZIREWLO-CYBMUJFWSA-N 2 0 266.389 0.952 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCC[NH2+]C1 ZINC000594425551 360299669 /nfs/dbraw/zinc/29/96/69/360299669.db2.gz KXDXXMMJWLNKBL-RWMBFGLXSA-N 2 0 266.389 0.902 20 30 CCEDRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435957 360304499 /nfs/dbraw/zinc/30/44/99/360304499.db2.gz BOTRFIXDGGRGTR-VXGBXAGGSA-N 2 0 254.378 0.854 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000594436598 360304669 /nfs/dbraw/zinc/30/46/69/360304669.db2.gz OEXBIDZLKWKWND-IUCAKERBSA-N 2 0 280.294 0.794 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000594440713 360310427 /nfs/dbraw/zinc/31/04/27/360310427.db2.gz BDQGGLNKBMHTOW-FRRDWIJNSA-N 2 0 264.373 0.608 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)CC1(C)COC1)CC1(C)COC1 ZINC000625790654 368332356 /nfs/dbraw/zinc/33/23/56/368332356.db2.gz GXQUZAALPHXEBV-UHFFFAOYSA-N 2 0 280.412 0.926 20 30 CCEDRP C=CC[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629549298 369700581 /nfs/dbraw/zinc/70/05/81/369700581.db2.gz JUSPBQZGHVHOAK-CYBMUJFWSA-N 2 0 251.374 0.706 20 30 CCEDRP C(#CC[N@@H+]1C[C@@H]2COC[C@@H]2C1)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779486 372233673 /nfs/dbraw/zinc/23/36/73/372233673.db2.gz RXWMULMJEJGLSL-GEEKYZPCSA-N 2 0 276.380 0.146 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000636741283 373735791 /nfs/dbraw/zinc/73/57/91/373735791.db2.gz UNPWJVMJRZWHQC-CQSZACIVSA-N 2 0 296.415 0.003 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000360333379 389196545 /nfs/dbraw/zinc/19/65/45/389196545.db2.gz IAWFOXBUGFGDCT-GOEBONIOSA-N 2 0 289.423 0.884 20 30 CCEDRP C[C@@H](NC(=O)NCCN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329318822 389157006 /nfs/dbraw/zinc/15/70/06/389157006.db2.gz IHYINPCHWXSATO-CYBMUJFWSA-N 2 0 296.415 0.473 20 30 CCEDRP C#CCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158176433 389337130 /nfs/dbraw/zinc/33/71/30/389337130.db2.gz NPLZLKPCLLPHBQ-YIONKMFJSA-N 2 0 290.411 0.572 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1ccon1 ZINC000261839767 389277074 /nfs/dbraw/zinc/27/70/74/389277074.db2.gz WKKKCJFSMYIBOC-LLVKDONJSA-N 2 0 265.361 0.634 20 30 CCEDRP CCNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264063548 389303843 /nfs/dbraw/zinc/30/38/43/389303843.db2.gz DKLGENKCBNYNEP-UHFFFAOYSA-N 2 0 289.427 0.858 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1cccn1 ZINC000264066201 389304156 /nfs/dbraw/zinc/30/41/56/389304156.db2.gz FELHOUKVDHYKSX-CYBMUJFWSA-N 2 0 278.404 0.662 20 30 CCEDRP COCCNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264069150 389304581 /nfs/dbraw/zinc/30/45/81/389304581.db2.gz FVAHKPBRWMCZBH-UHFFFAOYSA-N 2 0 294.399 0.678 20 30 CCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1ccccc1 ZINC000269467731 389418374 /nfs/dbraw/zinc/41/83/74/389418374.db2.gz JZBNIAQFGYNWSV-ZDUSSCGKSA-N 2 0 259.357 0.413 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000334888278 389507543 /nfs/dbraw/zinc/50/75/43/389507543.db2.gz ANMGVESPBBNHMP-KBPBESRZSA-N 2 0 292.427 0.888 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000373738825 389510539 /nfs/dbraw/zinc/51/05/39/389510539.db2.gz RRHJJERLLKBXPE-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000430724739 389820174 /nfs/dbraw/zinc/82/01/74/389820174.db2.gz RNSDCXQTLOVIKV-CYBMUJFWSA-N 2 0 267.373 0.132 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000417537358 389827808 /nfs/dbraw/zinc/82/78/08/389827808.db2.gz LNTVCYLRXQEVEO-LBPRGKRZSA-N 2 0 268.405 0.921 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000420295300 389979672 /nfs/dbraw/zinc/97/96/72/389979672.db2.gz VFGCUPKBAVXIAT-AGIUHOORSA-N 2 0 251.374 0.833 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000491631179 390115273 /nfs/dbraw/zinc/11/52/73/390115273.db2.gz RJYNIIMSVNNLGS-UHFFFAOYSA-N 2 0 294.443 0.133 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000491804744 390116959 /nfs/dbraw/zinc/11/69/59/390116959.db2.gz MJAIWIYFUIMLCF-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C=C(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644647169 390276300 /nfs/dbraw/zinc/27/63/00/390276300.db2.gz DNSVKDJRZQDGDX-QGZVFWFLSA-N 2 0 289.423 0.898 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000519774110 390541550 /nfs/dbraw/zinc/54/15/50/390541550.db2.gz YKJPFYNIFVQGAU-OLZOCXBDSA-N 2 0 264.373 0.704 20 30 CCEDRP C=C[C@H](CO)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000662168410 414695076 /nfs/dbraw/zinc/69/50/76/414695076.db2.gz FFYABXXBHLBLPW-HUUCEWRRSA-N 2 0 291.395 0.542 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754798 414764198 /nfs/dbraw/zinc/76/41/98/414764198.db2.gz ANYBZDQNACRLQO-GDBMZVCRSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000662771483 414779818 /nfs/dbraw/zinc/77/98/18/414779818.db2.gz XUTLPUASKPYWFB-MBNYWOFBSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000662775218 414783070 /nfs/dbraw/zinc/78/30/70/414783070.db2.gz VTVPCYHTWNFJBR-UONOGXRCSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662683756 414740724 /nfs/dbraw/zinc/74/07/24/414740724.db2.gz STMIFEYODMZVLI-INIZCTEOSA-N 2 0 295.427 0.913 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000662785079 414792988 /nfs/dbraw/zinc/79/29/88/414792988.db2.gz YABUIMQVWPEURD-CABZTGNLSA-N 2 0 261.316 0.783 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662813184 414813328 /nfs/dbraw/zinc/81/33/28/414813328.db2.gz IDFWGUAUVBAFQY-GXTWGEPZSA-N 2 0 267.373 0.261 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000490821013 261215406 /nfs/dbraw/zinc/21/54/06/261215406.db2.gz QDZLUVVKAGOHMA-CZUORRHYSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000491679936 261788713 /nfs/dbraw/zinc/78/87/13/261788713.db2.gz GWRRTJKQNWBFAA-UHFFFAOYSA-N 2 0 254.378 0.368 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290755457 263118494 /nfs/dbraw/zinc/11/84/94/263118494.db2.gz YTLJOUDUUUPNFT-GFCCVEGCSA-N 2 0 264.377 0.341 20 30 CCEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000131877566 264384489 /nfs/dbraw/zinc/38/44/89/264384489.db2.gz OVXBLBNNKDYTOL-CQSZACIVSA-N 3 0 293.459 0.896 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000377302695 329010509 /nfs/dbraw/zinc/01/05/09/329010509.db2.gz CSFZUEBEBGDSQL-GASCZTMLSA-N 2 0 275.396 0.352 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+](C)C)CCOCC1 ZINC000262467911 330015071 /nfs/dbraw/zinc/01/50/71/330015071.db2.gz YLLCPNPUMUVBDU-ZDUSSCGKSA-N 2 0 298.431 0.441 20 30 CCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000262547895 330020928 /nfs/dbraw/zinc/02/09/28/330020928.db2.gz WIJFAOJQKRTLKU-GFCCVEGCSA-N 2 0 295.456 0.441 20 30 CCEDRP COC1CC[NH+](C(C)(C)CNC2=[NH+]CCN2C)CC1 ZINC000262674587 330026133 /nfs/dbraw/zinc/02/61/33/330026133.db2.gz SQZZUYDDMVXANR-UHFFFAOYSA-N 2 0 268.405 0.767 20 30 CCEDRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)N1CCOCC1 ZINC000263182190 330047960 /nfs/dbraw/zinc/04/79/60/330047960.db2.gz UJAGMCFPAGSOLZ-UHFFFAOYSA-N 2 0 259.313 0.481 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000424134815 330268012 /nfs/dbraw/zinc/26/80/12/330268012.db2.gz NXNUKAYJURQVDT-RWMBFGLXSA-N 2 0 264.373 0.751 20 30 CCEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424137633 330275069 /nfs/dbraw/zinc/27/50/69/330275069.db2.gz SJAQXXKXJSKYNP-STQMWFEESA-N 2 0 266.389 0.808 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424146911 330293934 /nfs/dbraw/zinc/29/39/34/330293934.db2.gz QKEHJCIXNPBPAE-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+](C)C1CC1 ZINC000424160825 330306341 /nfs/dbraw/zinc/30/63/41/330306341.db2.gz VBLDVEZUAHKOIZ-JQWIXIFHSA-N 2 0 252.362 0.606 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424162407 330307289 /nfs/dbraw/zinc/30/72/89/330307289.db2.gz CQWUTAXTNBANCN-KKOKHZNYSA-N 2 0 252.362 0.510 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424290450 330334606 /nfs/dbraw/zinc/33/46/06/330334606.db2.gz MOUIBEVKTGSBSL-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000490937285 332131230 /nfs/dbraw/zinc/13/12/30/332131230.db2.gz SXDOFBDVANJVJR-CQSZACIVSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CCNC(=O)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000491200988 332164200 /nfs/dbraw/zinc/16/42/00/332164200.db2.gz DVAMTHHRQTYACS-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000491203848 332165749 /nfs/dbraw/zinc/16/57/49/332165749.db2.gz ZVINUPWNEYEIRQ-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000491326098 332190051 /nfs/dbraw/zinc/19/00/51/332190051.db2.gz JWLVLXAYMFSXPS-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000491659815 332270245 /nfs/dbraw/zinc/27/02/45/332270245.db2.gz IVLIBTMVXWVXRX-CQSZACIVSA-N 2 0 280.416 0.773 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000491698176 332293250 /nfs/dbraw/zinc/29/32/50/332293250.db2.gz LVRRYAUWIDCZDQ-KBPBESRZSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000491717198 332306717 /nfs/dbraw/zinc/30/67/17/332306717.db2.gz VRCBMORCXRIADR-UONOGXRCSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491751127 332327391 /nfs/dbraw/zinc/32/73/91/332327391.db2.gz UBNISKULZXEHKX-GOOCMWNKSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCCCC1 ZINC000491774538 332340436 /nfs/dbraw/zinc/34/04/36/332340436.db2.gz AHBHYXOZXBTDJF-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000491816223 332367121 /nfs/dbraw/zinc/36/71/21/332367121.db2.gz MUPDQXRYZPDSOQ-ZDUSSCGKSA-N 2 0 283.441 0.495 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCC1 ZINC000576753160 335243493 /nfs/dbraw/zinc/24/34/93/335243493.db2.gz PLDCXYWEUWVDPO-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP COCC[N@H+](C)C[C@@H](O)CN1CCC(C#N)CC1 ZINC000385879741 336159077 /nfs/dbraw/zinc/15/90/77/336159077.db2.gz BNBDASJRQMBLBX-CYBMUJFWSA-N 2 0 255.362 0.161 20 30 CCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000329230303 534076125 /nfs/dbraw/zinc/07/61/25/534076125.db2.gz DJHCWCLMOPRWPV-RDBSUJKOSA-N 2 0 298.431 0.382 20 30 CCEDRP COCC#CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000677133045 545358217 /nfs/dbraw/zinc/35/82/17/545358217.db2.gz FGJLPWLQNOTMMU-UHFFFAOYSA-N 2 0 266.385 0.680 20 30 CCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305800165 649879568 /nfs/dbraw/zinc/87/95/68/649879568.db2.gz CVGOIBDLDDYCIU-UHFFFAOYSA-N 2 0 281.448 0.813 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](C)C3)C2)CC1 ZINC000788203207 581485336 /nfs/dbraw/zinc/48/53/36/581485336.db2.gz MZCYLMVOHFGCET-UHFFFAOYSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000753983491 581568233 /nfs/dbraw/zinc/56/82/33/581568233.db2.gz COCPZZQARBJZQN-UHFFFAOYSA-N 2 0 272.352 0.343 20 30 CCEDRP C[C@H](CO)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771557607 581808366 /nfs/dbraw/zinc/80/83/66/581808366.db2.gz GWDAKYPHBRNRIQ-CYBMUJFWSA-N 2 0 276.384 0.743 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000764509836 582054452 /nfs/dbraw/zinc/05/44/52/582054452.db2.gz WCGCXTMYARRDIO-CQSZACIVSA-N 2 0 296.459 0.494 20 30 CCEDRP C#CCC1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCC1 ZINC000933294551 612970538 /nfs/dbraw/zinc/97/05/38/612970538.db2.gz QULGLONGTBCJIJ-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP CC(C)C[N@@H+](CC(=O)NCC#N)CC1CC[NH+](C)CC1 ZINC000879702300 614076155 /nfs/dbraw/zinc/07/61/55/614076155.db2.gz JGHOFUDELHTVHP-UHFFFAOYSA-N 2 0 280.416 0.926 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529047 612971779 /nfs/dbraw/zinc/97/17/79/612971779.db2.gz XPNDNEVCWNGSDU-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000841910454 613074490 /nfs/dbraw/zinc/07/44/90/613074490.db2.gz RFUWFVPUYXNONW-KBPBESRZSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891921054 613074696 /nfs/dbraw/zinc/07/46/96/613074696.db2.gz IRDWJTQRXZTJPG-NEPJUHHUSA-N 2 0 252.362 0.073 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971687926 613090116 /nfs/dbraw/zinc/09/01/16/613090116.db2.gz QCPGIFIQBVBTJV-AWEZNQCLSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC000928653315 613132545 /nfs/dbraw/zinc/13/25/45/613132545.db2.gz HZDYIEHZNVSAES-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(Nc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000895808388 613138680 /nfs/dbraw/zinc/13/86/80/613138680.db2.gz HNHFHPVJPXLEFT-UHFFFAOYSA-N 2 0 297.366 0.754 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000849008115 613220470 /nfs/dbraw/zinc/22/04/70/613220470.db2.gz REXLJLVAJMBXLB-GFCCVEGCSA-N 2 0 279.388 0.190 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933803 613223656 /nfs/dbraw/zinc/22/36/56/613223656.db2.gz GWVUINARAOFPFY-ZIAGYGMSSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218441 613263300 /nfs/dbraw/zinc/26/33/00/613263300.db2.gz XRPGDJWSWVEUHO-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980244719 613291839 /nfs/dbraw/zinc/29/18/39/613291839.db2.gz YNVADYXVBOXRDY-JYJNAYRXSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970869363 613299682 /nfs/dbraw/zinc/29/96/82/613299682.db2.gz PLGZUEYFYUUFPQ-OLZOCXBDSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946890256 613305374 /nfs/dbraw/zinc/30/53/74/613305374.db2.gz LTNFHKAYFOFPGM-OWCLPIDISA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978161252 613308780 /nfs/dbraw/zinc/30/87/80/613308780.db2.gz SZYDMMCYPKHDCQ-LVQVYYBASA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960521337 613313245 /nfs/dbraw/zinc/31/32/45/613313245.db2.gz RYMKYXZPHQVPKF-FICVDOATSA-N 2 0 287.407 0.542 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961657150 613313524 /nfs/dbraw/zinc/31/35/24/613313524.db2.gz PZSPTAFNGSZVQU-WDNDVIMCSA-N 2 0 261.369 0.008 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878748204 613324541 /nfs/dbraw/zinc/32/45/41/613324541.db2.gz SZHOGDURAYURQY-UHFFFAOYSA-N 2 0 286.379 0.733 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977902522 613343731 /nfs/dbraw/zinc/34/37/31/613343731.db2.gz BKTYGJLFPRGKEM-APIJFGDWSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961767810 613344652 /nfs/dbraw/zinc/34/46/52/613344652.db2.gz ZTDXHPROUJDECC-TTZDDIAXSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N(CCOC)CC[NH+](C)C ZINC000900587271 613363614 /nfs/dbraw/zinc/36/36/14/613363614.db2.gz LVGFOLINUYGYPT-UHFFFAOYSA-N 2 0 271.405 0.531 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441712 613365058 /nfs/dbraw/zinc/36/50/58/613365058.db2.gz NBUZUASHBJULLN-KBPBESRZSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000876869726 613387380 /nfs/dbraw/zinc/38/73/80/613387380.db2.gz CAULPLVTYQGYNN-HBNTYKKESA-N 2 0 257.765 0.667 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000876960252 613387820 /nfs/dbraw/zinc/38/78/20/613387820.db2.gz BOVVYIHPYGRANV-GFCCVEGCSA-N 2 0 290.839 0.456 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000876952215 613388174 /nfs/dbraw/zinc/38/81/74/613388174.db2.gz LJGJICNBQHFLCX-OUAUKWLOSA-N 2 0 259.781 0.913 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939753506 613868736 /nfs/dbraw/zinc/86/87/36/613868736.db2.gz GEBHCIRHJKCYOD-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCON=Cc1cnc(N2CCN(C)CC2)nc1 ZINC000835013011 613883063 /nfs/dbraw/zinc/88/30/63/613883063.db2.gz DHMLFJJOJKWUPT-UHFFFAOYSA-N 2 0 261.329 0.765 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000884364377 614852191 /nfs/dbraw/zinc/85/21/91/614852191.db2.gz QVDUXLBQSBDOIU-QLFBSQMISA-N 2 0 298.390 0.987 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000104172521 615131354 /nfs/dbraw/zinc/13/13/54/615131354.db2.gz CAQMJZTXVLOYBU-DZGCQCFKSA-N 3 0 293.459 0.859 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+](C)C ZINC000104155048 615144296 /nfs/dbraw/zinc/14/42/96/615144296.db2.gz KDSYUNUDXYPHCU-LBPRGKRZSA-N 3 0 269.437 0.715 20 30 CCEDRP CC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1[NH3+] ZINC000852878755 615556608 /nfs/dbraw/zinc/55/66/08/615556608.db2.gz NXUBZXUBZZUSHD-ZIAGYGMSSA-N 2 0 263.385 0.575 20 30 CCEDRP CC[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876865078 615792393 /nfs/dbraw/zinc/79/23/93/615792393.db2.gz ZAXKWKYZHYPCFX-JSGCOSHPSA-N 2 0 272.352 0.599 20 30 CCEDRP C[NH+](C)C(C)(C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884178322 615839068 /nfs/dbraw/zinc/83/90/68/615839068.db2.gz INSIGQFHIATYFH-AVERBVTBSA-N 2 0 278.400 0.582 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913524158 615859721 /nfs/dbraw/zinc/85/97/21/615859721.db2.gz BYLKHXNSMFCTDM-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP CN(CCC#N)C(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482645 615872441 /nfs/dbraw/zinc/87/24/41/615872441.db2.gz KJZOFMNKCVSNKP-UHFFFAOYSA-N 2 0 296.415 0.137 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000181475223 625373954 /nfs/dbraw/zinc/37/39/54/625373954.db2.gz SJWXNGVMFYVQDB-GFCCVEGCSA-N 2 0 254.378 0.506 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630817 623403661 /nfs/dbraw/zinc/40/36/61/623403661.db2.gz XMFGRYBYDFFMLU-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N(C)C)CC1 ZINC000170906961 623813685 /nfs/dbraw/zinc/81/36/85/623813685.db2.gz PCKJHLVLVOQBRN-GFCCVEGCSA-N 2 0 255.410 0.136 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927974 624625910 /nfs/dbraw/zinc/62/59/10/624625910.db2.gz RMIBFCCLKZAAID-AJNGGQMLSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001022166554 624890167 /nfs/dbraw/zinc/89/01/67/624890167.db2.gz ZCVLVXTYTGBANQ-MJBXVCDLSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414483 625874096 /nfs/dbraw/zinc/87/40/96/625874096.db2.gz QNNBGSIZZIJLCA-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414484 625874109 /nfs/dbraw/zinc/87/41/09/625874109.db2.gz QNNBGSIZZIJLCA-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261962977 631735733 /nfs/dbraw/zinc/73/57/33/631735733.db2.gz KSBWCGAGXHGLLP-STQMWFEESA-N 2 0 297.472 0.047 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCF)[C@@H]2C)CC1 ZINC000987567338 632880430 /nfs/dbraw/zinc/88/04/30/632880430.db2.gz FDPIWVAPHQEPRH-DZGCQCFKSA-N 2 0 295.402 0.880 20 30 CCEDRP C[C@@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000913517915 636834520 /nfs/dbraw/zinc/83/45/20/636834520.db2.gz VFMAAFUECVEBNR-MJBXVCDLSA-N 2 0 265.401 0.929 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N(C)C)CC1 ZINC000170906958 637103820 /nfs/dbraw/zinc/10/38/20/637103820.db2.gz PCKJHLVLVOQBRN-LBPRGKRZSA-N 2 0 255.410 0.136 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014468629 650453694 /nfs/dbraw/zinc/45/36/94/650453694.db2.gz QDICQXVUJDWCFV-KGLIPLIRSA-N 2 0 263.385 0.705 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014501294 650457182 /nfs/dbraw/zinc/45/71/82/650457182.db2.gz IXAIINJIYDNVIB-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999340517 638975497 /nfs/dbraw/zinc/97/54/97/638975497.db2.gz AITDBFLAUXCKGD-UHFFFAOYSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649133 650601175 /nfs/dbraw/zinc/60/11/75/650601175.db2.gz PHXMMAMQFCXJBX-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015702069 650611445 /nfs/dbraw/zinc/61/14/45/650611445.db2.gz LLYRSENFZHUQSG-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@@H]1CCC[NH2+]C1 ZINC000834484861 642576599 /nfs/dbraw/zinc/57/65/99/642576599.db2.gz OIXAJVYINOBROV-FDYHWXHSSA-N 2 0 264.373 0.240 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834504719 642591824 /nfs/dbraw/zinc/59/18/24/642591824.db2.gz DTHZOQYCXCBQAB-WCQYABFASA-N 2 0 262.357 0.089 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016974262 650774643 /nfs/dbraw/zinc/77/46/43/650774643.db2.gz KYPXUUAJWVWHAK-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000848427732 643635727 /nfs/dbraw/zinc/63/57/27/643635727.db2.gz QFLXIRMWRJLEJO-ZJUUUORDSA-N 2 0 274.315 0.511 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000852866418 644032427 /nfs/dbraw/zinc/03/24/27/644032427.db2.gz WTYIJUCIXNUMFI-OAHLLOKOSA-N 2 0 275.396 0.590 20 30 CCEDRP C[C@@H]1C[C@H](C)N(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000852893334 644047220 /nfs/dbraw/zinc/04/72/20/644047220.db2.gz NZESPQWSGLCBRN-IPYPFGDCSA-N 2 0 277.412 0.821 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876803151 646670710 /nfs/dbraw/zinc/67/07/10/646670710.db2.gz UNMVZESXFCALLF-HIFRSBDPSA-N 2 0 284.363 0.103 20 30 CCEDRP C[C@@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876857285 646683000 /nfs/dbraw/zinc/68/30/00/646683000.db2.gz AGXBDEROCCMWEZ-NHYWBVRUSA-N 2 0 286.379 0.989 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC1(C[NH3+])CC1 ZINC000876947591 646703000 /nfs/dbraw/zinc/70/30/00/646703000.db2.gz IXKCKZDNCZTXHB-OAHLLOKOSA-N 2 0 298.390 0.990 20 30 CCEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001006431935 649377303 /nfs/dbraw/zinc/37/73/03/649377303.db2.gz SIEARQRRQYBXPG-OAHLLOKOSA-N 2 0 295.427 0.816 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(NC(C)(C)C)=[NH+]C)CC1 ZINC000303475883 649821344 /nfs/dbraw/zinc/82/13/44/649821344.db2.gz MJLIOWMORDNMGD-ZDUSSCGKSA-N 2 0 283.464 0.976 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C)C1 ZINC000303882466 649826128 /nfs/dbraw/zinc/82/61/28/649826128.db2.gz ICEYJYPWSNUWFU-CHWSQXEVSA-N 3 0 267.421 0.327 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCN(CC)CC1 ZINC000303893757 649826693 /nfs/dbraw/zinc/82/66/93/649826693.db2.gz OKZMMRQFDACUBU-UHFFFAOYSA-N 2 0 281.448 0.885 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NC(C)C)CC1 ZINC000303900221 649826859 /nfs/dbraw/zinc/82/68/59/649826859.db2.gz SDHGRIHMPPCDLH-GFCCVEGCSA-N 2 0 255.410 0.325 20 30 CCEDRP C[N@H+](CCNC(=[NH2+])N1CCOCC1)C1CCCC1 ZINC000304757835 649838141 /nfs/dbraw/zinc/83/81/41/649838141.db2.gz PIFSWTPECRHXKS-UHFFFAOYSA-N 2 0 254.378 0.508 20 30 CCEDRP CCc1nncn1CCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000304789543 649839583 /nfs/dbraw/zinc/83/95/83/649839583.db2.gz JUZSZDADUFNILV-GFCCVEGCSA-N 2 0 293.419 0.229 20 30 CCEDRP C#CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001266609823 791018940 /nfs/dbraw/zinc/01/89/40/791018940.db2.gz YSVVINKZMDDNKB-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266817271 791262102 /nfs/dbraw/zinc/26/21/02/791262102.db2.gz PUYAPLIQFSAFON-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561102 791476450 /nfs/dbraw/zinc/47/64/50/791476450.db2.gz RLHSYOTYBFNAGR-CQSZACIVSA-N 2 0 295.427 0.409 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562164 791503081 /nfs/dbraw/zinc/50/30/81/791503081.db2.gz SPPHKGAPXGHOIB-UHFFFAOYSA-N 2 0 295.427 0.554 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267200452 791663547 /nfs/dbraw/zinc/66/35/47/791663547.db2.gz LUTPLDLDRUFIBN-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038141417 791703145 /nfs/dbraw/zinc/70/31/45/791703145.db2.gz KZNRQNVWLTYIHW-OLZOCXBDSA-N 2 0 267.373 0.084 20 30 CCEDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](CCCC#N)[C@@H]2C1 ZINC001277945198 806422164 /nfs/dbraw/zinc/42/21/64/806422164.db2.gz PWTCNWUJGLBGHB-UONOGXRCSA-N 2 0 250.390 0.858 20 30 CCEDRP C=CC[NH2+]CCN(CCCOC)[C@H]1CCC[NH2+]C1 ZINC001235795735 806504406 /nfs/dbraw/zinc/50/44/06/806504406.db2.gz MDLGLVKTRHRRRT-AWEZNQCLSA-N 2 0 255.406 0.853 20 30 CCEDRP C=CC[NH2+]CCN1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001236023384 806530343 /nfs/dbraw/zinc/53/03/43/806530343.db2.gz OBNNAEHNFBRXQF-CTASWTNQSA-N 2 0 293.411 0.093 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001121654091 799063291 /nfs/dbraw/zinc/06/32/91/799063291.db2.gz PLEDGXLBJXQPND-UHFFFAOYSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001121922545 799094374 /nfs/dbraw/zinc/09/43/74/799094374.db2.gz LJZZSYOBXMWCMZ-HUUCEWRRSA-N 2 0 295.427 0.851 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001121997801 799117298 /nfs/dbraw/zinc/11/72/98/799117298.db2.gz IHUXBXXHVMVIME-RDBSUJKOSA-N 2 0 263.385 0.609 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001122412945 799227833 /nfs/dbraw/zinc/22/78/33/799227833.db2.gz YYBJHSGFRVVGDR-TZMCWYRMSA-N 2 0 264.373 0.752 20 30 CCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151057031 800392403 /nfs/dbraw/zinc/39/24/03/800392403.db2.gz QDYMMLMYIOWRLP-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153309925 800620284 /nfs/dbraw/zinc/62/02/84/800620284.db2.gz VSNFCACXTPWSSE-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900291 801073248 /nfs/dbraw/zinc/07/32/48/801073248.db2.gz KFHLEIAFQWYCPM-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157887139 801510288 /nfs/dbraw/zinc/51/02/88/801510288.db2.gz RGYBXGUTUWNFFC-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486813 801658406 /nfs/dbraw/zinc/65/84/06/801658406.db2.gz RUYATQJHXURCAF-STQMWFEESA-N 2 0 267.373 0.132 20 30 CCEDRP N#Cc1cc([N+](=O)[O-])cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159784864 801870686 /nfs/dbraw/zinc/87/06/86/801870686.db2.gz KYKGHFZPPOKTRW-VIFPVBQESA-N 2 0 250.262 0.297 20 30 CCEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161856654 802232818 /nfs/dbraw/zinc/23/28/18/802232818.db2.gz CFWMAIJSIKERRW-OAHLLOKOSA-N 2 0 275.396 0.710 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278799424 808267215 /nfs/dbraw/zinc/26/72/15/808267215.db2.gz AVEVCAYFAAMXMF-GOEBONIOSA-N 2 0 295.427 0.600 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165270027 802808933 /nfs/dbraw/zinc/80/89/33/802808933.db2.gz AYCKZBMGBHEYGU-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166866919 802972593 /nfs/dbraw/zinc/97/25/93/802972593.db2.gz ZVYYEOQWOWMGML-ZDUSSCGKSA-N 2 0 271.405 0.625 20 30 CCEDRP N#Cc1cccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)n1 ZINC001205242542 803130448 /nfs/dbraw/zinc/13/04/48/803130448.db2.gz YAHZPYQNSVWOGH-AWEZNQCLSA-N 2 0 260.341 0.629 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928951 803311325 /nfs/dbraw/zinc/31/13/25/803311325.db2.gz OFLNIACGVFSNGK-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547346 803418112 /nfs/dbraw/zinc/41/81/12/803418112.db2.gz TWSGHIUQTWJROM-BNOWGMLFSA-N 2 0 265.401 0.949 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207683772 803436746 /nfs/dbraw/zinc/43/67/46/803436746.db2.gz HMVNIZFYCYMJDZ-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209305288 803592206 /nfs/dbraw/zinc/59/22/06/803592206.db2.gz XTPSJRWGJQYKLJ-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323461 803594589 /nfs/dbraw/zinc/59/45/89/803594589.db2.gz IGONFKOHKOSFGI-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676681 803656649 /nfs/dbraw/zinc/65/66/49/803656649.db2.gz HSDOBHSGZXEJKG-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676680 803656710 /nfs/dbraw/zinc/65/67/10/803656710.db2.gz HSDOBHSGZXEJKG-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(O)c(C#N)c1 ZINC001218954518 804165826 /nfs/dbraw/zinc/16/58/26/804165826.db2.gz OTRCJLURKBCEDI-LBPRGKRZSA-N 2 0 276.340 0.919 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218981901 804173181 /nfs/dbraw/zinc/17/31/81/804173181.db2.gz XWQHAJWKHLFVMZ-CQSZACIVSA-N 2 0 287.367 0.865 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456351 815015306 /nfs/dbraw/zinc/01/53/06/815015306.db2.gz QUDXZENZZFCBMK-RDBSUJKOSA-N 2 0 281.400 0.207 20 30 CCEDRP CC(=O)/C=C(/C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001219910197 804445518 /nfs/dbraw/zinc/44/55/18/804445518.db2.gz SHERZJPFWMTJTO-PRDAAYKISA-N 2 0 255.362 0.655 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220377985 804587981 /nfs/dbraw/zinc/58/79/81/804587981.db2.gz WDPGQIKUGAUNEC-RDBSUJKOSA-N 2 0 283.416 0.454 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1F ZINC001220449151 804607535 /nfs/dbraw/zinc/60/75/35/804607535.db2.gz LZGGSQJRUXFKOW-ZDUSSCGKSA-N 2 0 278.331 0.770 20 30 CCEDRP C=CCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220484724 804613357 /nfs/dbraw/zinc/61/33/57/804613357.db2.gz QSCHYZBOHQBOJK-GFCCVEGCSA-N 2 0 251.374 0.943 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC001220497440 804615280 /nfs/dbraw/zinc/61/52/80/804615280.db2.gz XKARGDLJTIOGKA-AWEZNQCLSA-N 2 0 286.379 0.816 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743885 804659669 /nfs/dbraw/zinc/65/96/69/804659669.db2.gz UGVQQXCGPPWJAK-HNNXBMFYSA-N 2 0 272.352 0.517 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC001220868175 804684619 /nfs/dbraw/zinc/68/46/19/804684619.db2.gz DLEZWPXOCIXUET-STQMWFEESA-N 2 0 267.373 0.132 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1ncc(C#N)s1 ZINC001220872328 804686387 /nfs/dbraw/zinc/68/63/87/804686387.db2.gz UJJRLWMUKFCZBH-NSHDSACASA-N 2 0 295.412 0.690 20 30 CCEDRP C#CC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCCCC1 ZINC001221275317 804761583 /nfs/dbraw/zinc/76/15/83/804761583.db2.gz AOUYGDJZCNOVIH-LBPRGKRZSA-N 2 0 261.369 0.248 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC001221761151 804843202 /nfs/dbraw/zinc/84/32/02/804843202.db2.gz BBWOVQRRTMFGKR-UHFFFAOYSA-N 2 0 280.416 0.583 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950730 804854993 /nfs/dbraw/zinc/85/49/93/804854993.db2.gz VXBQWNUXYZSWRH-HUUCEWRRSA-N 2 0 295.427 0.673 20 30 CCEDRP CC[C@H](C(=O)NC[C@H]1CCN1CC#CCOC)[NH+](C)C ZINC001276957207 805015764 /nfs/dbraw/zinc/01/57/64/805015764.db2.gz QUVWERMZRVXZLU-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001277020182 805107893 /nfs/dbraw/zinc/10/78/93/805107893.db2.gz MQNXTEFMFUSOPV-LBPRGKRZSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001277094243 805187651 /nfs/dbraw/zinc/18/76/51/805187651.db2.gz PEDJZOYRMDOPLX-ZIAGYGMSSA-N 2 0 275.396 0.875 20 30 CCEDRP CC[C@@H](C(=O)NC1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001229233689 805514831 /nfs/dbraw/zinc/51/48/31/805514831.db2.gz NTBHVJCOZCXUFW-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278427468 807133548 /nfs/dbraw/zinc/13/35/48/807133548.db2.gz UXOXSOLEGOROGD-MRXNPFEDSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)nc1 ZINC001247831692 807493822 /nfs/dbraw/zinc/49/38/22/807493822.db2.gz BIJPABNIDITIJM-SNVBAGLBSA-N 2 0 282.307 0.280 20 30 CCEDRP C#CCOC[C@H](O)CN1CCC([N@H+](C)C2CC2)CC1 ZINC001251855043 807722854 /nfs/dbraw/zinc/72/28/54/807722854.db2.gz QZMPGKCELOKNTI-OAHLLOKOSA-N 2 0 266.385 0.556 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251881628 807732546 /nfs/dbraw/zinc/73/25/46/807732546.db2.gz YNNCOLTXZIRDBX-XHSDSOJGSA-N 2 0 282.428 0.955 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474932 815143173 /nfs/dbraw/zinc/14/31/73/815143173.db2.gz IDMQATLPSQYXTJ-YJNKXOJESA-N 2 0 295.427 0.454 20 30 CCEDRP C=C[C@@](C)(O)C[N@@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001252549620 807906644 /nfs/dbraw/zinc/90/66/44/807906644.db2.gz GLACVFCGIXWMSY-BFHYXJOUSA-N 2 0 254.374 0.576 20 30 CCEDRP CC[NH+](CC)C[C@@H](O)CNC1(C#N)CC[NH+](C)CC1 ZINC001253214141 808035954 /nfs/dbraw/zinc/03/59/54/808035954.db2.gz NUVUAZMVHXTWGW-ZDUSSCGKSA-N 2 0 268.405 0.267 20 30 CCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278787914 808245319 /nfs/dbraw/zinc/24/53/19/808245319.db2.gz XRZRKDHEMSZYPM-HOCLYGCPSA-N 2 0 293.411 0.047 20 30 CCEDRP C[NH2+]CCC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001261461862 808984722 /nfs/dbraw/zinc/98/47/22/808984722.db2.gz APJAGSBCVFAEKE-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076255294 815267656 /nfs/dbraw/zinc/26/76/56/815267656.db2.gz ZMSFEAUIPYROHT-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC001262636301 809380998 /nfs/dbraw/zinc/38/09/98/809380998.db2.gz OZGDIFIZUKRYSP-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC001263101330 809444571 /nfs/dbraw/zinc/44/45/71/809444571.db2.gz PIOHRRFUKBBGOP-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264080645 809628069 /nfs/dbraw/zinc/62/80/69/809628069.db2.gz SPIOWFWFQZCELE-GJZGRUSLSA-N 2 0 295.427 0.245 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157892 809635207 /nfs/dbraw/zinc/63/52/07/809635207.db2.gz WUXDFZASRILEPS-OLZOCXBDSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264492436 809660061 /nfs/dbraw/zinc/66/00/61/809660061.db2.gz QURWMXKPFJDIHN-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001265257986 809733245 /nfs/dbraw/zinc/73/32/45/809733245.db2.gz VEOZYWGLVSZYLS-AWEZNQCLSA-N 2 0 280.416 0.000 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265317271 809756837 /nfs/dbraw/zinc/75/68/37/809756837.db2.gz MHFKRJBISVJVQE-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265623687 809816392 /nfs/dbraw/zinc/81/63/92/809816392.db2.gz BOJPBIZVOIAKRA-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266027989 809920586 /nfs/dbraw/zinc/92/05/86/809920586.db2.gz FBJASEGMTDODAD-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266039954 809924035 /nfs/dbraw/zinc/92/40/35/809924035.db2.gz FLRHJGPJLWYJST-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](F)C[NH+](CC)CC)CCC1 ZINC001280483273 810024990 /nfs/dbraw/zinc/02/49/90/810024990.db2.gz RKVSGRZEXYRUET-CYBMUJFWSA-N 2 0 283.391 0.928 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001267338463 811174379 /nfs/dbraw/zinc/17/43/79/811174379.db2.gz XLONLPFZCAARLY-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077028640 815434664 /nfs/dbraw/zinc/43/46/64/815434664.db2.gz IDMQATLPSQYXTJ-GBJTYRQASA-N 2 0 295.427 0.454 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639008 811601007 /nfs/dbraw/zinc/60/10/07/811601007.db2.gz WPKSGPGIBHXRNS-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267970702 811905634 /nfs/dbraw/zinc/90/56/34/811905634.db2.gz TXICILHLOLNMCV-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC=C)CC1 ZINC001268259469 812427579 /nfs/dbraw/zinc/42/75/79/812427579.db2.gz LTWWQCGLWJGHIJ-UHFFFAOYSA-N 2 0 277.412 0.908 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268321706 812484742 /nfs/dbraw/zinc/48/47/42/812484742.db2.gz UZJUVYABJOVCQD-UONOGXRCSA-N 2 0 283.416 0.361 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545365 812832075 /nfs/dbraw/zinc/83/20/75/812832075.db2.gz PBEYPECOTFFGJN-HIFRSBDPSA-N 2 0 275.396 0.400 20 30 CCEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC001270320814 813720154 /nfs/dbraw/zinc/72/01/54/813720154.db2.gz IOTHRUJVQQCDQG-OAHLLOKOSA-N 2 0 295.427 0.245 20 30 CCEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028983571 813723070 /nfs/dbraw/zinc/72/30/70/813723070.db2.gz CZAYKQYBRJCWST-ZIAGYGMSSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001270436297 813763527 /nfs/dbraw/zinc/76/35/27/813763527.db2.gz MKAIWFVIKPXFDD-STQMWFEESA-N 2 0 274.368 0.421 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813609 814167195 /nfs/dbraw/zinc/16/71/95/814167195.db2.gz PCUNQQAKBWVVBW-CAOSSQGBSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271522881 814469452 /nfs/dbraw/zinc/46/94/52/814469452.db2.gz YFUSLOJKHSOBOO-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860069 816088436 /nfs/dbraw/zinc/08/84/36/816088436.db2.gz UVDSYCWTQFKSJQ-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322399 816740324 /nfs/dbraw/zinc/74/03/24/816740324.db2.gz NODVONGWDFUMGG-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627114 816828593 /nfs/dbraw/zinc/82/85/93/816828593.db2.gz SZDCRAGKKIOXKP-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981398 817568458 /nfs/dbraw/zinc/56/84/58/817568458.db2.gz MIIWGEPWYBPXRA-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C#CCN1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128832 817656655 /nfs/dbraw/zinc/65/66/55/817656655.db2.gz LGFHPTXPRVOOJD-GJZGRUSLSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078813249 818055532 /nfs/dbraw/zinc/05/55/32/818055532.db2.gz XZSWZXDIPBENEM-KBPBESRZSA-N 2 0 275.396 0.732 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081320 818497907 /nfs/dbraw/zinc/49/79/07/818497907.db2.gz MDWARUPALPFLFJ-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033596279 818844130 /nfs/dbraw/zinc/84/41/30/818844130.db2.gz XMKBILYYWFPAOM-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001033681125 818883896 /nfs/dbraw/zinc/88/38/96/818883896.db2.gz RUQSTHRNIJSEHD-ZIAGYGMSSA-N 2 0 281.400 0.426 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686205 818885804 /nfs/dbraw/zinc/88/58/04/818885804.db2.gz BJXQRXSDLZUAJR-INIZCTEOSA-N 2 0 287.407 0.498 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034778790 819329193 /nfs/dbraw/zinc/32/91/93/819329193.db2.gz ZJTIFHSJFZZEOY-HDJSIYSDSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035719835 819614740 /nfs/dbraw/zinc/61/47/40/819614740.db2.gz BOEICMYDVGVYJP-HNNXBMFYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001036254814 819716066 /nfs/dbraw/zinc/71/60/66/819716066.db2.gz VWVFIURJBZENGP-OCCSQVGLSA-N 2 0 274.368 0.422 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001036263901 819717959 /nfs/dbraw/zinc/71/79/59/819717959.db2.gz IEPSFAFDBBBPTJ-KGLIPLIRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694272 820814813 /nfs/dbraw/zinc/81/48/13/820814813.db2.gz UETZMLKYHPQPFZ-KBUPBQIOSA-N 2 0 293.411 0.165 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507084 820991909 /nfs/dbraw/zinc/99/19/09/820991909.db2.gz BEEVSUJVKBJADN-KFWWJZLASA-N 2 0 277.412 0.929 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093076 821493510 /nfs/dbraw/zinc/49/35/10/821493510.db2.gz DXGPOJVKFKWUIS-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518329 821763396 /nfs/dbraw/zinc/76/33/96/821763396.db2.gz OZQOUNPWUYFCOF-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197364 822152073 /nfs/dbraw/zinc/15/20/73/822152073.db2.gz FFYOHCQBFZJLSL-FQUUOJAGSA-N 2 0 265.401 0.855 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271537 822182836 /nfs/dbraw/zinc/18/28/36/822182836.db2.gz CKCDPCNVUHUILR-RWMBFGLXSA-N 2 0 251.374 0.609 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365229 822225247 /nfs/dbraw/zinc/22/52/47/822225247.db2.gz JHOHKKUZDBVSBE-VGWMRTNUSA-N 2 0 289.423 0.978 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083082 822254340 /nfs/dbraw/zinc/25/43/40/822254340.db2.gz MVBCNNONSXBRSF-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCOCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169111843 836151497 /nfs/dbraw/zinc/15/14/97/836151497.db2.gz QHBBPMDGYCOQQS-QDMKHBRRSA-N 2 0 266.385 0.868 20 30 CCEDRP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467608 837154729 /nfs/dbraw/zinc/15/47/29/837154729.db2.gz LHLHEDWDAHJNBA-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170223949 837269995 /nfs/dbraw/zinc/26/99/95/837269995.db2.gz ZKWPZLJTVXWHPI-ZDUSSCGKSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001184810969 844291176 /nfs/dbraw/zinc/29/11/76/844291176.db2.gz SYOOASFOHVJLNJ-UKRRQHHQSA-N 2 0 288.395 0.899 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133043116 838540335 /nfs/dbraw/zinc/54/03/35/838540335.db2.gz RJLFNQZEUHAWKA-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001133295008 838592757 /nfs/dbraw/zinc/59/27/57/838592757.db2.gz ZQCPLYBRALALIP-UHFFFAOYSA-N 2 0 274.368 0.716 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020477 838819859 /nfs/dbraw/zinc/81/98/59/838819859.db2.gz BSUMYRQQKFZIHZ-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882675 839454742 /nfs/dbraw/zinc/45/47/42/839454742.db2.gz QXKJJEQLYVABPM-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP N#Cc1nc(Br)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170901006 839549750 /nfs/dbraw/zinc/54/97/50/839549750.db2.gz SXCWVBYWBWKBNC-QMMMGPOBSA-N 2 0 285.149 0.546 20 30 CCEDRP COC(=O)c1cc(C#N)ccc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900539 839550239 /nfs/dbraw/zinc/55/02/39/839550239.db2.gz VQJGIBQAHRRSDV-GFCCVEGCSA-N 2 0 262.313 0.780 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676296 844450866 /nfs/dbraw/zinc/45/08/66/844450866.db2.gz SVWNRISOGVOBAC-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090538412 839625662 /nfs/dbraw/zinc/62/56/62/839625662.db2.gz QUMHVFPUGWLYNP-CABCVRRESA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001185789143 844460022 /nfs/dbraw/zinc/46/00/22/844460022.db2.gz SNBLUCVBFBEJIE-KGLIPLIRSA-N 2 0 274.368 0.591 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817907 839832080 /nfs/dbraw/zinc/83/20/80/839832080.db2.gz UBIJGWYTTNGXMI-KBPBESRZSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543362 840261828 /nfs/dbraw/zinc/26/18/28/840261828.db2.gz IRPLFQCAHWNYQP-VYDXJSESSA-N 2 0 289.423 0.884 20 30 CCEDRP C=C(C)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605398 840843353 /nfs/dbraw/zinc/84/33/53/840843353.db2.gz QXNGMKZSVOHVBE-UHFFFAOYSA-N 2 0 295.427 0.675 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579629 841738358 /nfs/dbraw/zinc/73/83/58/841738358.db2.gz ZHGNAGCSDIIHPK-UHFFFAOYSA-N 2 0 253.390 0.838 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171732143 841755686 /nfs/dbraw/zinc/75/56/86/841755686.db2.gz XJQFTSBYDGUINP-UHFFFAOYSA-N 2 0 253.390 0.838 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001094992592 841992528 /nfs/dbraw/zinc/99/25/28/841992528.db2.gz FBKQRMDXYUCPBE-BPUTZDHNSA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150626203 842412344 /nfs/dbraw/zinc/41/23/44/842412344.db2.gz TYRKRJDQNXXINX-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884541 842441828 /nfs/dbraw/zinc/44/18/28/842441828.db2.gz MDLVIVJTQJTWBR-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001176986760 842477446 /nfs/dbraw/zinc/47/74/46/842477446.db2.gz VIBWZRHNGRSVAZ-OAHLLOKOSA-N 2 0 295.427 0.607 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176991928 842479790 /nfs/dbraw/zinc/47/97/90/842479790.db2.gz FWYDLQBANMRKEC-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203354763 842591774 /nfs/dbraw/zinc/59/17/74/842591774.db2.gz FZBYGIUXQPNKOG-UHFFFAOYSA-N 2 0 275.396 0.686 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435152 842996944 /nfs/dbraw/zinc/99/69/44/842996944.db2.gz LHOGSOXAJFNRMU-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482464 843006320 /nfs/dbraw/zinc/00/63/20/843006320.db2.gz UTNTZBGSQUBHAI-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933604 843082525 /nfs/dbraw/zinc/08/25/25/843082525.db2.gz JMWSUIAQYUMYPF-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266518 843996584 /nfs/dbraw/zinc/99/65/84/843996584.db2.gz BOPJKZLOPJGDKB-KGLIPLIRSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001187982815 844812477 /nfs/dbraw/zinc/81/24/77/844812477.db2.gz RZKSGHHUKYYLMQ-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221909 845356899 /nfs/dbraw/zinc/35/68/99/845356899.db2.gz SOHNZKJFRAPTRY-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444272 845399695 /nfs/dbraw/zinc/39/96/95/845399695.db2.gz QARLMQVSRSFJCV-ZIAGYGMSSA-N 2 0 283.391 0.832 20 30 CCEDRP N#Cc1ccncc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001192980116 845962496 /nfs/dbraw/zinc/96/24/96/845962496.db2.gz ZOQTWSWFILISKX-UHFFFAOYSA-N 2 0 260.301 0.028 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292708 846046546 /nfs/dbraw/zinc/04/65/46/846046546.db2.gz SGKFKKQJYZWUJA-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001193642086 846133192 /nfs/dbraw/zinc/13/31/92/846133192.db2.gz LTXARLYJSMOGTI-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194154689 846224979 /nfs/dbraw/zinc/22/49/79/846224979.db2.gz MRLPKLLLUNPGCN-CABCVRRESA-N 2 0 293.411 0.263 20 30 CCEDRP C#CCN1CCC2(CC[NH+](CCC[NH+](C)C)CC2)C1=O ZINC001273712044 846685369 /nfs/dbraw/zinc/68/53/69/846685369.db2.gz OBMYWRNCIJIPCU-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312355 846956372 /nfs/dbraw/zinc/95/63/72/846956372.db2.gz SIKJXOQLEXBOBP-UONOGXRCSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203319322 847262149 /nfs/dbraw/zinc/26/21/49/847262149.db2.gz ZUOHAMDPGFUQJL-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807591 847694431 /nfs/dbraw/zinc/69/44/31/847694431.db2.gz WHQWBZLXOLVCMR-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872326 847827806 /nfs/dbraw/zinc/82/78/06/847827806.db2.gz NZGPBYZHEAQVAQ-AWEZNQCLSA-N 2 0 293.411 0.475 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057161 847851628 /nfs/dbraw/zinc/85/16/28/847851628.db2.gz DMQWGPYCJIIIMS-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165626 847862374 /nfs/dbraw/zinc/86/23/74/847862374.db2.gz SBXSATCJGIRSJV-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114361441 848026416 /nfs/dbraw/zinc/02/64/16/848026416.db2.gz NPBGKGAFGIXBBI-LJISPDSOSA-N 2 0 295.402 0.736 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114423056 848055498 /nfs/dbraw/zinc/05/54/98/848055498.db2.gz KWHRTMXEPCKMCA-AIANPOQGSA-N 2 0 289.423 0.931 20 30 CCEDRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001114464426 848074751 /nfs/dbraw/zinc/07/47/51/848074751.db2.gz TWIHXDIUMWCGDS-BARDWOONSA-N 2 0 293.411 0.023 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001274297862 848443957 /nfs/dbraw/zinc/44/39/57/848443957.db2.gz LLSSUTFXEUXYEZ-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001274752594 848560876 /nfs/dbraw/zinc/56/08/76/848560876.db2.gz DPTRSONGJPURSM-KGLIPLIRSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]C(C)C)CC1 ZINC001275039094 848618365 /nfs/dbraw/zinc/61/83/65/848618365.db2.gz PUOQDICOVRCAFN-CYBMUJFWSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275144249 848650568 /nfs/dbraw/zinc/65/05/68/848650568.db2.gz WJNUNALWCKLOIV-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001275284840 848685792 /nfs/dbraw/zinc/68/57/92/848685792.db2.gz STFBCCHVPUFKAV-WLYUNCDWSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCOCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275836093 848840310 /nfs/dbraw/zinc/84/03/10/848840310.db2.gz RDCVTROMKVPCSX-RBSFLKMASA-N 2 0 297.443 0.966 20 30 CCEDRP C=CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001276333798 849426422 /nfs/dbraw/zinc/42/64/22/849426422.db2.gz WZCPZBIMMXXDKC-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001114849600 849436129 /nfs/dbraw/zinc/43/61/29/849436129.db2.gz TWIHXDIUMWCGDS-LJISPDSOSA-N 2 0 293.411 0.023 20 30 CCEDRP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039470375 850195736 /nfs/dbraw/zinc/19/57/36/850195736.db2.gz XXLNXFPFUICODW-ZNMIVQPWSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402172 850443262 /nfs/dbraw/zinc/44/32/62/850443262.db2.gz HPYMBIUYUJFEDO-ZBFHGGJFSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739857 852042362 /nfs/dbraw/zinc/04/23/62/852042362.db2.gz PEGSTWXDOZWWEP-QLFBSQMISA-N 2 0 293.411 0.283 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863577 852088095 /nfs/dbraw/zinc/08/80/95/852088095.db2.gz HNLXJFGGPMTQKI-ZNMIVQPWSA-N 2 0 277.412 0.903 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059708 852152849 /nfs/dbraw/zinc/15/28/49/852152849.db2.gz DRQXALVHAWPUGY-XQLPTFJDSA-N 2 0 275.396 0.208 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170725 852183768 /nfs/dbraw/zinc/18/37/68/852183768.db2.gz CHYRGLAPFXHVAT-HRCADAONSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052933697 852673994 /nfs/dbraw/zinc/67/39/94/852673994.db2.gz CVHHWWJIGVBYCZ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001072815697 854471149 /nfs/dbraw/zinc/47/11/49/854471149.db2.gz CKTMUOIFONNWDX-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072981408 854506777 /nfs/dbraw/zinc/50/67/77/854506777.db2.gz HEUGWJLSKPLQQU-CQSZACIVSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072982936 854507788 /nfs/dbraw/zinc/50/77/88/854507788.db2.gz GJZYRHPGDNDVHB-UONOGXRCSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001074657793 854762643 /nfs/dbraw/zinc/76/26/43/854762643.db2.gz DBCPDPHKBZXAOR-RQJABVFESA-N 2 0 263.385 0.539 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001098445968 854866770 /nfs/dbraw/zinc/86/67/70/854866770.db2.gz YZFWHLXNJHYTOX-KBXIAJHMSA-N 2 0 293.411 0.615 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872517 855013747 /nfs/dbraw/zinc/01/37/47/855013747.db2.gz VIZKRIXLRUHEJB-KGLIPLIRSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100066332 855090608 /nfs/dbraw/zinc/09/06/08/855090608.db2.gz HCYYMTKYJWWZRF-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100066331 855090711 /nfs/dbraw/zinc/09/07/11/855090711.db2.gz HCYYMTKYJWWZRF-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100415163 855163162 /nfs/dbraw/zinc/16/31/62/855163162.db2.gz BCFBHCBNDMSJRK-NRXISQOPSA-N 2 0 295.402 0.928 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100674110 855208155 /nfs/dbraw/zinc/20/81/55/855208155.db2.gz MRPNUVMMDPJNNT-IYXRBSQSSA-N 2 0 263.385 0.588 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001323543478 912402719 /nfs/dbraw/zinc/40/27/19/912402719.db2.gz YSIVBUZFLKVUBX-LBPRGKRZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324957913 913118652 /nfs/dbraw/zinc/11/86/52/913118652.db2.gz OVQSIRQWOXTRRH-HNNXBMFYSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001325466791 913418616 /nfs/dbraw/zinc/41/86/16/913418616.db2.gz OESZESHKCDGTCR-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481099787 892162516 /nfs/dbraw/zinc/16/25/16/892162516.db2.gz SYHNNDFRGFLGAK-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[C@H](C(=O)N(C)CC[NH2+]CC#CCOC)[NH+](C)C ZINC001481304126 892554826 /nfs/dbraw/zinc/55/48/26/892554826.db2.gz JGVBDKBVLJKTRQ-CYBMUJFWSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001481318110 892571810 /nfs/dbraw/zinc/57/18/10/892571810.db2.gz SBUPNUVWWROKGA-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481696275 893031354 /nfs/dbraw/zinc/03/13/54/893031354.db2.gz VHDOCFAIKQZTCX-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481708404 893057441 /nfs/dbraw/zinc/05/74/41/893057441.db2.gz LGGJEGHCTWILKO-OLZOCXBDSA-N 2 0 253.390 0.949 20 30 CCEDRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326075897 913738535 /nfs/dbraw/zinc/73/85/35/913738535.db2.gz QBSGQADRDPBZBK-LBPRGKRZSA-N 2 0 252.362 0.466 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482755641 894568681 /nfs/dbraw/zinc/56/86/81/894568681.db2.gz JAJIJMSDSARDTD-CYBMUJFWSA-N 2 0 283.416 0.504 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)COC1CC[NH+](C)CC1 ZINC001482960684 894726878 /nfs/dbraw/zinc/72/68/78/894726878.db2.gz UUDPNWRWDIKXQZ-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483129405 894979565 /nfs/dbraw/zinc/97/95/65/894979565.db2.gz XVNKHCGNNSPVHM-JHJVBQTASA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266345 895398462 /nfs/dbraw/zinc/39/84/62/895398462.db2.gz IJRWRNZTAOGCQP-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406630 895544838 /nfs/dbraw/zinc/54/48/38/895544838.db2.gz CUQKVJVANWPRGT-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001483742059 895974481 /nfs/dbraw/zinc/97/44/81/895974481.db2.gz LLOKABDSOXLYGN-LBPRGKRZSA-N 2 0 251.374 0.444 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001484618661 896501029 /nfs/dbraw/zinc/50/10/29/896501029.db2.gz ZDGVTWTZFROLSS-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484976037 896690736 /nfs/dbraw/zinc/69/07/36/896690736.db2.gz KUELSNUZPLXLKW-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001485105067 896785671 /nfs/dbraw/zinc/78/56/71/896785671.db2.gz FOZUJMWCVROEIC-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001485377327 897009709 /nfs/dbraw/zinc/00/97/09/897009709.db2.gz ZUWZKRULXCCGQN-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485686444 897181520 /nfs/dbraw/zinc/18/15/20/897181520.db2.gz UEWBGDHPOMTARN-HDJSIYSDSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001485701157 897197087 /nfs/dbraw/zinc/19/70/87/897197087.db2.gz DQSWMQDQOMYASH-JOCQHMNTSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001485715880 897198301 /nfs/dbraw/zinc/19/83/01/897198301.db2.gz IPFGVVKRAQSAGV-UONOGXRCSA-N 2 0 281.400 0.215 20 30 CCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272782306 897666358 /nfs/dbraw/zinc/66/63/58/897666358.db2.gz NHEGUSZYIPNSQP-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272782307 897666578 /nfs/dbraw/zinc/66/65/78/897666578.db2.gz NHEGUSZYIPNSQP-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485834553 898051309 /nfs/dbraw/zinc/05/13/09/898051309.db2.gz QBSPNKQVKPXYBZ-ZIAGYGMSSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012797 898179211 /nfs/dbraw/zinc/17/92/11/898179211.db2.gz AXAUQOJJVPDCEJ-ZIAGYGMSSA-N 2 0 293.411 0.210 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781345 898180295 /nfs/dbraw/zinc/18/02/95/898180295.db2.gz REHLHQZKVHWVAS-IHRRRGAJSA-N 2 0 261.369 0.247 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032781202 898180484 /nfs/dbraw/zinc/18/04/84/898180484.db2.gz NKZYZEWADPHSHK-RDBSUJKOSA-N 2 0 263.385 0.799 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001486010562 898606005 /nfs/dbraw/zinc/60/60/05/898606005.db2.gz LEHCKSXICAVHJS-CHWSQXEVSA-N 2 0 292.383 0.088 20 30 CCEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001486210367 898713802 /nfs/dbraw/zinc/71/38/02/898713802.db2.gz KODOMWOCZCKNOK-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001486278187 898739036 /nfs/dbraw/zinc/73/90/36/898739036.db2.gz LXMZPEVOKQNDQP-SOUVJXGZSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001486295441 898761771 /nfs/dbraw/zinc/76/17/71/898761771.db2.gz PTGUIAVBTPCJGM-GJZGRUSLSA-N 2 0 297.443 0.703 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001486309043 898772097 /nfs/dbraw/zinc/77/20/97/898772097.db2.gz DIVQGMIXEZQQPF-CYBMUJFWSA-N 2 0 285.432 0.559 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001486480155 898896822 /nfs/dbraw/zinc/89/68/22/898896822.db2.gz OCARVSYQKCWMOC-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001327033951 914325715 /nfs/dbraw/zinc/32/57/15/914325715.db2.gz GVZCLULOCBDTST-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325126116 899903882 /nfs/dbraw/zinc/90/38/82/899903882.db2.gz LNXIWWANGNJQIU-MRXNPFEDSA-N 2 0 295.427 0.151 20 30 CCEDRP COC1CC[NH+](CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001327182765 914408368 /nfs/dbraw/zinc/40/83/68/914408368.db2.gz ZZOXUNYBHFGBRJ-CYBMUJFWSA-N 2 0 282.388 0.235 20 30 CCEDRP C#CCN1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001488683176 900342374 /nfs/dbraw/zinc/34/23/74/900342374.db2.gz AEXOOBVBKKOMBQ-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001488790682 900390288 /nfs/dbraw/zinc/39/02/88/900390288.db2.gz YHGMUUKIZBVZCY-MELADBBJSA-N 2 0 265.401 0.999 20 30 CCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001327580403 914633662 /nfs/dbraw/zinc/63/36/62/914633662.db2.gz HWMBZHKUBVDNLH-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491261069 903472763 /nfs/dbraw/zinc/47/27/63/903472763.db2.gz IJUWQAUJSHYFNM-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064163 903831911 /nfs/dbraw/zinc/83/19/11/903831911.db2.gz JIUOSLONNZWFGR-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001280628706 904130657 /nfs/dbraw/zinc/13/06/57/904130657.db2.gz LDJOHJZGSAEMRH-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001281743974 904340228 /nfs/dbraw/zinc/34/02/28/904340228.db2.gz QXQQKFYRKCKEOA-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001281890348 904362678 /nfs/dbraw/zinc/36/26/78/904362678.db2.gz LYSPOPCJDWTNFS-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001282187032 904429502 /nfs/dbraw/zinc/42/95/02/904429502.db2.gz YIPPZDAQCSRKGW-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282231304 904436920 /nfs/dbraw/zinc/43/69/20/904436920.db2.gz XCBUQDBDKJFCPK-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001316620643 904485437 /nfs/dbraw/zinc/48/54/37/904485437.db2.gz OTFRCQGCXZVFNF-OKILXGFUSA-N 2 0 281.400 0.072 20 30 CCEDRP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001332634665 904544370 /nfs/dbraw/zinc/54/43/70/904544370.db2.gz SBVFHEUXKPIXBU-HUUCEWRRSA-N 2 0 297.443 0.796 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001284478215 905311123 /nfs/dbraw/zinc/31/11/23/905311123.db2.gz UDJCSWDIEOSHGR-CYBMUJFWSA-N 2 0 271.405 0.312 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001316640449 905676388 /nfs/dbraw/zinc/67/63/88/905676388.db2.gz ZOJJNIRWPOJNMX-HDJSIYSDSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001492073207 907694644 /nfs/dbraw/zinc/69/46/44/907694644.db2.gz NARVECYIPJRLKA-RDBSUJKOSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC001304042943 908137213 /nfs/dbraw/zinc/13/72/13/908137213.db2.gz PGPMZVCKPJSUFD-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865556 908561181 /nfs/dbraw/zinc/56/11/81/908561181.db2.gz MFNQPRRLMCIIPD-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP CCCN(CCC[NH+](C)C)C(=O)NCC#CC[NH+](C)C ZINC001313439660 908667262 /nfs/dbraw/zinc/66/72/62/908667262.db2.gz PAGPNOYYRFHKLE-UHFFFAOYSA-N 2 0 282.432 0.925 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001318527856 909803546 /nfs/dbraw/zinc/80/35/46/909803546.db2.gz GCXCZQNYMVLXHQ-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001318543455 909806506 /nfs/dbraw/zinc/80/65/06/909806506.db2.gz VRILLTNYLLSHCT-ZDUSSCGKSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001318560771 909813818 /nfs/dbraw/zinc/81/38/18/909813818.db2.gz DJVKFXBVARAHTB-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001318594855 909830965 /nfs/dbraw/zinc/83/09/65/909830965.db2.gz KYVLNJWTTRYCQD-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH2+][C@@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001318596428 909831196 /nfs/dbraw/zinc/83/11/96/909831196.db2.gz ULYAVVSRISEILC-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001319374531 910120964 /nfs/dbraw/zinc/12/09/64/910120964.db2.gz KBCOFBJXHATCKG-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001319919377 910350467 /nfs/dbraw/zinc/35/04/67/910350467.db2.gz UBOQUIXEYQDGIF-CQSZACIVSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320226660 910540833 /nfs/dbraw/zinc/54/08/33/910540833.db2.gz DPLPCRZMFPBIJF-KGLIPLIRSA-N 2 0 283.416 0.504 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322235145 911722889 /nfs/dbraw/zinc/72/28/89/911722889.db2.gz CNYOGORWDOOKAW-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001322298222 911753257 /nfs/dbraw/zinc/75/32/57/911753257.db2.gz JVYGHNMVUCJDPK-KGLIPLIRSA-N 2 0 281.400 0.024 20 30 CCEDRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001329100557 915670886 /nfs/dbraw/zinc/67/08/86/915670886.db2.gz UMQAFSPNVNTWSJ-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001329357700 915837699 /nfs/dbraw/zinc/83/76/99/915837699.db2.gz ABBRYNOQCYCJTQ-ZDUSSCGKSA-N 2 0 265.401 0.646 20 30 CCEDRP C[NH2+][C@H](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331322565 917264704 /nfs/dbraw/zinc/26/47/04/917264704.db2.gz PYASKTZMGBLHFK-KTEZZQQRSA-N 2 0 264.373 0.240 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975893 917774216 /nfs/dbraw/zinc/77/42/16/917774216.db2.gz KANVLAAKZVHIAG-CABCVRRESA-N 2 0 292.427 0.868 20 30 CCEDRP C#CCC[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC001336785697 921010055 /nfs/dbraw/zinc/01/00/55/921010055.db2.gz RSFHUSGIECECEV-INIZCTEOSA-N 2 0 279.428 0.520 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC001340706913 922178047 /nfs/dbraw/zinc/17/80/47/922178047.db2.gz AZNXRFKVMWOZFG-NSHDSACASA-N 2 0 265.361 0.809 20 30 CCEDRP [NH3+]Cc1nc2cc(NC(=O)C#CC3CC[NH2+]CC3)ccc2[nH]1 ZINC001341373418 922450903 /nfs/dbraw/zinc/45/09/03/922450903.db2.gz DCMSRLUPACAQBT-UHFFFAOYSA-N 2 0 297.362 0.963 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001341731141 922647318 /nfs/dbraw/zinc/64/73/18/922647318.db2.gz BYKRASHERSKHDP-QWHCGFSZSA-N 2 0 268.405 0.032 20 30 CCEDRP CCO[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+](C)C ZINC001341794056 922674251 /nfs/dbraw/zinc/67/42/51/922674251.db2.gz HLSFIGPKGQKVJA-AWEZNQCLSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001341814757 922684985 /nfs/dbraw/zinc/68/49/85/922684985.db2.gz MWSZZYGKXWNWEA-GFCCVEGCSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341845824 922692787 /nfs/dbraw/zinc/69/27/87/922692787.db2.gz SPUXYLYXXOTCQR-NWDGAFQWSA-N 2 0 255.362 0.246 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001343372593 923287521 /nfs/dbraw/zinc/28/75/21/923287521.db2.gz VJTGRXLQZLQWMH-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420177423 923371051 /nfs/dbraw/zinc/37/10/51/923371051.db2.gz XDOYHQLSTLAFMA-CMPLNLGQSA-N 2 0 289.807 0.147 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCC[NH2+]C1 ZINC001343850761 923483897 /nfs/dbraw/zinc/48/38/97/923483897.db2.gz FPYZZWHEISBOOE-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001348793179 924805720 /nfs/dbraw/zinc/80/57/20/924805720.db2.gz IIKDWUZPFCOLJG-UKRRQHHQSA-N 2 0 292.427 0.141 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001349151762 924892163 /nfs/dbraw/zinc/89/21/63/924892163.db2.gz BFZACKTWBJTDAK-CQSZACIVSA-N 2 0 278.400 0.998 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001357471265 926539703 /nfs/dbraw/zinc/53/97/03/926539703.db2.gz CUTAZUHWARHWPZ-AVGNSLFASA-N 2 0 251.374 0.880 20 30 CCEDRP N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600738539 362049641 /nfs/dbraw/zinc/04/96/41/362049641.db2.gz LAFFTXIYEXJESD-QWHCGFSZSA-N 2 0 267.373 0.087 20 30 CCEDRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600738263 362049659 /nfs/dbraw/zinc/04/96/59/362049659.db2.gz FZVAMSCIGABMTI-HNNXBMFYSA-N 2 0 294.443 0.657 20 30 CCEDRP C[C@@H]1C[C@H](C[NH+]2CCN(CCC#N)CC2)CC[NH2+]1 ZINC000602022195 362461743 /nfs/dbraw/zinc/46/17/43/362461743.db2.gz RGKLHDKHHNIVRE-ZIAGYGMSSA-N 2 0 250.390 0.906 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000573123630 358940375 /nfs/dbraw/zinc/94/03/75/358940375.db2.gz LQOCYUQYHYGERC-NEPJUHHUSA-N 2 0 252.362 0.466 20 30 CCEDRP C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+]1CCCCC1 ZINC000584048071 359161797 /nfs/dbraw/zinc/16/17/97/359161797.db2.gz BSCAGDOBEWKFHK-HOTGVXAUSA-N 2 0 296.459 0.904 20 30 CCEDRP CC1(C)C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426620 360300780 /nfs/dbraw/zinc/30/07/80/360300780.db2.gz PXJBOJJHWNCTNO-LLVKDONJSA-N 2 0 252.362 0.608 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1(C[NH3+])CCC1 ZINC000594435164 360304460 /nfs/dbraw/zinc/30/44/60/360304460.db2.gz BSUXPKZGRFUWRX-LLVKDONJSA-N 2 0 252.362 0.737 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594576900 360332915 /nfs/dbraw/zinc/33/29/15/360332915.db2.gz FWXAIJWCQQMGBT-HZSPNIEDSA-N 2 0 268.405 0.123 20 30 CCEDRP CC1(CNC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]CC1 ZINC000594438482 360306891 /nfs/dbraw/zinc/30/68/91/360306891.db2.gz IZFRCGMVMLDBSQ-GFCCVEGCSA-N 2 0 266.389 0.904 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000594441053 360310297 /nfs/dbraw/zinc/31/02/97/360310297.db2.gz LRMBUICPIRURHX-ZDUSSCGKSA-N 2 0 266.389 1.000 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]1[NH3+] ZINC000594441488 360310520 /nfs/dbraw/zinc/31/05/20/360310520.db2.gz JJKXDFCKRNTDSF-FRRDWIJNSA-N 2 0 266.389 0.983 20 30 CCEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1(C#N)CC1 ZINC000596587802 360925893 /nfs/dbraw/zinc/92/58/93/360925893.db2.gz QCSHFFYDDAUWLM-ZDUSSCGKSA-N 2 0 295.431 0.861 20 30 CCEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000598730625 361500974 /nfs/dbraw/zinc/50/09/74/361500974.db2.gz XUDRYBGHGASZNI-CHWSQXEVSA-N 2 0 269.389 0.333 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626970039 368702302 /nfs/dbraw/zinc/70/23/02/368702302.db2.gz DZIPJUXNXQKGNA-UHFFFAOYSA-N 2 0 298.431 0.644 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638102967 374668819 /nfs/dbraw/zinc/66/88/19/374668819.db2.gz XRDAVNIFTNOAPF-ZFWWWQNUSA-N 2 0 281.400 0.520 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CCC[NH2+]1 ZINC000638577022 375156015 /nfs/dbraw/zinc/15/60/15/375156015.db2.gz VMIJCXYRKSLJMM-SCRDCRAPSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CCOCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000339034528 389122484 /nfs/dbraw/zinc/12/24/84/389122484.db2.gz YNYDIKVENPSCAA-UHFFFAOYSA-N 2 0 283.416 0.579 20 30 CCEDRP CN(C)C(=[NH+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(C)C ZINC000360573284 389200063 /nfs/dbraw/zinc/20/00/63/389200063.db2.gz PZBLMYFIZKGIHH-NEPJUHHUSA-N 2 0 254.378 0.329 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)CC1 ZINC000155188333 389317934 /nfs/dbraw/zinc/31/79/34/389317934.db2.gz YMXRXIFWWFQJQU-OKILXGFUSA-N 2 0 277.412 0.883 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1ccon1 ZINC000261839771 389277108 /nfs/dbraw/zinc/27/71/08/389277108.db2.gz WKKKCJFSMYIBOC-NSHDSACASA-N 2 0 265.361 0.634 20 30 CCEDRP COCCNC(=[NH2+])NCCc1nc2ccccc2[nH]1 ZINC000264079393 389304791 /nfs/dbraw/zinc/30/47/91/389304791.db2.gz IGHNHJIKUCVFSB-UHFFFAOYSA-N 2 0 261.329 0.656 20 30 CCEDRP CN(C)C(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000170912136 389468942 /nfs/dbraw/zinc/46/89/42/389468942.db2.gz DJMPFDHVXJXQLJ-UHFFFAOYSA-N 2 0 291.399 0.354 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCCc1ccncc1C ZINC000269919400 389427061 /nfs/dbraw/zinc/42/70/61/389427061.db2.gz AAOOCFNCRNSTDB-LLVKDONJSA-N 2 0 250.346 0.872 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000420295302 389979446 /nfs/dbraw/zinc/97/94/46/389979446.db2.gz VFGCUPKBAVXIAT-AVGNSLFASA-N 2 0 251.374 0.833 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491553496 390114826 /nfs/dbraw/zinc/11/48/26/390114826.db2.gz AJNJMEASQUGXMT-HNNXBMFYSA-N 2 0 292.427 0.820 20 30 CCEDRP C=CCn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000648770428 390405383 /nfs/dbraw/zinc/40/53/83/390405383.db2.gz DGFNOHVXQQBHNC-UHFFFAOYSA-N 2 0 294.403 0.030 20 30 CCEDRP C=CC[C@]1(C(=O)NCCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754842 414762282 /nfs/dbraw/zinc/76/22/82/414762282.db2.gz VTMUTLDEHVQJDS-MRXNPFEDSA-N 2 0 294.443 0.438 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662765363 414772958 /nfs/dbraw/zinc/77/29/58/414772958.db2.gz FWEUNETWEFECOM-HUUCEWRRSA-N 2 0 263.385 0.897 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662389361 414713522 /nfs/dbraw/zinc/71/35/22/414713522.db2.gz BHBUSMSJYIQIFQ-HNNXBMFYSA-N 2 0 280.416 0.096 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662413763 414715711 /nfs/dbraw/zinc/71/57/11/414715711.db2.gz JMQSTGZIGIGLSG-TZMCWYRMSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC000662419936 414716605 /nfs/dbraw/zinc/71/66/05/414716605.db2.gz PPKRCAMPRCNHCM-YRGRVCCFSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662431970 414718235 /nfs/dbraw/zinc/71/82/35/414718235.db2.gz NSCCTNGFSAKTEV-SGMGOOAPSA-N 2 0 267.373 0.259 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662782201 414788456 /nfs/dbraw/zinc/78/84/56/414788456.db2.gz CFJUPHNYEOQHPD-OUCADQQQSA-N 2 0 251.374 0.928 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662813196 414813088 /nfs/dbraw/zinc/81/30/88/414813088.db2.gz IDFWGUAUVBAFQY-JSGCOSHPSA-N 2 0 267.373 0.261 20 30 CCEDRP CC#CCCNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664704431 415450734 /nfs/dbraw/zinc/45/07/34/415450734.db2.gz VWSVWNCJKHGJDE-AWEZNQCLSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000280230470 263059790 /nfs/dbraw/zinc/05/97/90/263059790.db2.gz MCNZTUSOXLXCQV-UHFFFAOYSA-N 2 0 275.396 0.710 20 30 CCEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356986143 266225894 /nfs/dbraw/zinc/22/58/94/266225894.db2.gz JFCLNYNYIUKSRK-ZDUSSCGKSA-N 2 0 266.389 0.775 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000376720331 268011069 /nfs/dbraw/zinc/01/10/69/268011069.db2.gz OGNMSRVUFYKKJL-CYBMUJFWSA-N 2 0 255.337 0.455 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000103115696 328761916 /nfs/dbraw/zinc/76/19/16/328761916.db2.gz KTNNTIOTLRVUJY-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262262904 330003135 /nfs/dbraw/zinc/00/31/35/330003135.db2.gz FFOVWKVRFZRNOQ-CYBMUJFWSA-N 2 0 282.413 0.262 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1=CCCOC1 ZINC000262321528 330005979 /nfs/dbraw/zinc/00/59/79/330005979.db2.gz RMIPIXLURXMNGW-ZDUSSCGKSA-N 2 0 266.389 0.722 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262429457 330010038 /nfs/dbraw/zinc/01/00/38/330010038.db2.gz DNPPASUZMUEAKK-CHWSQXEVSA-N 2 0 268.405 0.896 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262454125 330014303 /nfs/dbraw/zinc/01/43/03/330014303.db2.gz KMNBWLQLQIGYAH-CHWSQXEVSA-N 2 0 268.405 0.754 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H](C)CC ZINC000262764636 330029970 /nfs/dbraw/zinc/02/99/70/330029970.db2.gz KIQMLDAWLXALCY-CHWSQXEVSA-N 2 0 267.421 0.340 20 30 CCEDRP C=CCNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000262816011 330033761 /nfs/dbraw/zinc/03/37/61/330033761.db2.gz WQLNRAFVOGQOCJ-UHFFFAOYSA-N 2 0 253.394 0.103 20 30 CCEDRP CC[C@](C)(O)CNC(=[NH+]C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262820922 330033967 /nfs/dbraw/zinc/03/39/67/330033967.db2.gz YIQWBBHPOVVSCG-HIFRSBDPSA-N 2 0 280.416 0.669 20 30 CCEDRP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424155234 330302022 /nfs/dbraw/zinc/30/20/22/330302022.db2.gz MOVAZMPTIQKDOS-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424172853 330312865 /nfs/dbraw/zinc/31/28/65/330312865.db2.gz DOYQUIPAXLZXHF-ZIAGYGMSSA-N 2 0 296.415 0.577 20 30 CCEDRP C[C@@]1(F)CNCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424173957 330313785 /nfs/dbraw/zinc/31/37/85/330313785.db2.gz MMQKUHCLRDOIEP-ZYHUDNBSSA-N 2 0 256.325 0.168 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)CC(C)(C)CO)CC(C)(C)CO ZINC000451247950 331021823 /nfs/dbraw/zinc/02/18/23/331021823.db2.gz CNHAUNQFGMYVHG-UHFFFAOYSA-N 2 0 284.444 0.890 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000490631265 332097572 /nfs/dbraw/zinc/09/75/72/332097572.db2.gz UNCPCBYTEGGTGJ-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000490679657 332103091 /nfs/dbraw/zinc/10/30/91/332103091.db2.gz UDPQZMRUYGMLDB-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@](C)(O)CC[NH+](C)C)CC1 ZINC000490739163 332110360 /nfs/dbraw/zinc/11/03/60/332110360.db2.gz BOZDDBXLQXYRMW-INIZCTEOSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000490761056 332113212 /nfs/dbraw/zinc/11/32/12/332113212.db2.gz RGEVQHDNBVTWDZ-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@](C)(CC)C2)CC1 ZINC000490830888 332118470 /nfs/dbraw/zinc/11/84/70/332118470.db2.gz NMEYDKKINGTNAG-INIZCTEOSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000491326909 332190907 /nfs/dbraw/zinc/19/09/07/332190907.db2.gz RIBPUOLGIBTHLZ-KBPBESRZSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000491535690 332231632 /nfs/dbraw/zinc/23/16/32/332231632.db2.gz DYNIQHAZEUYGSF-ZDUSSCGKSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)CCCC[NH+](C)C ZINC000491569436 332240294 /nfs/dbraw/zinc/24/02/94/332240294.db2.gz WATPJXBIJMOVJZ-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000491698675 332293667 /nfs/dbraw/zinc/29/36/67/332293667.db2.gz IEZIFMMQMVGIHD-CABCVRRESA-N 2 0 294.443 0.923 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000491806783 332359916 /nfs/dbraw/zinc/35/99/16/332359916.db2.gz RKYVQQSBCGSWES-CHWSQXEVSA-N 2 0 266.389 0.511 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000491809194 332361964 /nfs/dbraw/zinc/36/19/64/332361964.db2.gz XJYCBMUOCSDJKG-OLZOCXBDSA-N 2 0 266.389 0.239 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000491816221 332367135 /nfs/dbraw/zinc/36/71/35/332367135.db2.gz MUPDQXRYZPDSOQ-CYBMUJFWSA-N 2 0 283.441 0.495 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000186798194 333165320 /nfs/dbraw/zinc/16/53/20/333165320.db2.gz GJPSMCKGBHFWGN-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237750021 333381057 /nfs/dbraw/zinc/38/10/57/333381057.db2.gz RADKBQBCHDSOJJ-AWEZNQCLSA-N 2 0 251.374 0.753 20 30 CCEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])N(C)C2CC2)C[C@@H](C)O1 ZINC000305828886 649881272 /nfs/dbraw/zinc/88/12/72/649881272.db2.gz SJGTUBPFNFSDRN-VXGBXAGGSA-N 2 0 268.405 0.895 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CC[NH3+])C1=O ZINC000420308820 581580767 /nfs/dbraw/zinc/58/07/67/581580767.db2.gz DLHHHCYKQIHGDO-STQMWFEESA-N 2 0 251.374 0.977 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000747404735 581939035 /nfs/dbraw/zinc/93/90/35/581939035.db2.gz OCJSOLXDWSCFDP-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCOCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000851860539 612984211 /nfs/dbraw/zinc/98/42/11/612984211.db2.gz KOYNAISTKJHVQR-QLFBSQMISA-N 2 0 266.385 0.820 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131383 612948154 /nfs/dbraw/zinc/94/81/54/612948154.db2.gz WKESPUVAILTIAV-ZIAGYGMSSA-N 2 0 286.379 0.730 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841909341 613076609 /nfs/dbraw/zinc/07/66/09/613076609.db2.gz CRBMZHPPVSVZJH-OLZOCXBDSA-N 2 0 266.389 0.511 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000876756579 613390586 /nfs/dbraw/zinc/39/05/86/613390586.db2.gz VNVVSWWEQIXGQE-QWRGUYRKSA-N 2 0 275.780 0.293 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000970792308 612960348 /nfs/dbraw/zinc/96/03/48/612960348.db2.gz IQYAOGJRUNLLFM-OAHLLOKOSA-N 2 0 273.380 0.155 20 30 CCEDRP C#CC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000843269545 612964969 /nfs/dbraw/zinc/96/49/69/612964969.db2.gz PCPTWORXVQAENI-CYBMUJFWSA-N 2 0 277.368 0.021 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000969350208 612966034 /nfs/dbraw/zinc/96/60/34/612966034.db2.gz VHMKKFKCCVJPDI-CYBMUJFWSA-N 2 0 268.320 0.772 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900797544 612999046 /nfs/dbraw/zinc/99/90/46/612999046.db2.gz GMVXLIRZLBLNSJ-GOEBONIOSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944168210 613016861 /nfs/dbraw/zinc/01/68/61/613016861.db2.gz HPHBHBQYADKWGV-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551419 613091752 /nfs/dbraw/zinc/09/17/52/613091752.db2.gz JCKQXYQDDRCWIW-LSDHHAIUSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000816954324 613129598 /nfs/dbraw/zinc/12/95/98/613129598.db2.gz ZCHPOGYJDHRKJN-LSDHHAIUSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000924022479 613134350 /nfs/dbraw/zinc/13/43/50/613134350.db2.gz RQWCRSFMWJDKRU-AWEZNQCLSA-N 2 0 278.400 0.477 20 30 CCEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)NC1CC1 ZINC000849001168 613219372 /nfs/dbraw/zinc/21/93/72/613219372.db2.gz CXSGBZYJYZUSIE-ZDUSSCGKSA-N 2 0 295.431 0.257 20 30 CCEDRP C[NH+]=C(NCCN1CC[N@H+](C)C(C)(C)C1)NC1CC1 ZINC000849026509 613219605 /nfs/dbraw/zinc/21/96/05/613219605.db2.gz HDDQHFALKOXXFP-UHFFFAOYSA-N 2 0 267.421 0.340 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686331 613258029 /nfs/dbraw/zinc/25/80/29/613258029.db2.gz WVHLJTJWZKEORY-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946892942 613304884 /nfs/dbraw/zinc/30/48/84/613304884.db2.gz SSRLXKFHOZIPCB-IYBDPMFKSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959921205 613316687 /nfs/dbraw/zinc/31/66/87/613316687.db2.gz MDLGFIKAPRUUMQ-BYNSBNAKSA-N 2 0 273.380 0.008 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887922773 613364481 /nfs/dbraw/zinc/36/44/81/613364481.db2.gz BNEZZSWLRCONAH-DZGCQCFKSA-N 2 0 265.401 0.904 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCOCC[NH+](C)C ZINC000901341450 613364756 /nfs/dbraw/zinc/36/47/56/613364756.db2.gz OKYFHRBZZPYGHB-UHFFFAOYSA-N 2 0 257.378 0.189 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000854641856 613365989 /nfs/dbraw/zinc/36/59/89/613365989.db2.gz GBTLXCMFPZSRMW-ZIAGYGMSSA-N 2 0 281.400 0.426 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912376897 613366779 /nfs/dbraw/zinc/36/67/79/613366779.db2.gz LGZQWFPLKDAHPX-AWEZNQCLSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970712788 613384997 /nfs/dbraw/zinc/38/49/97/613384997.db2.gz SBRPAGRMNRAUHC-VXGBXAGGSA-N 2 0 271.792 0.881 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000876950505 613387749 /nfs/dbraw/zinc/38/77/49/613387749.db2.gz OVHQWINGSAXYQD-LLVKDONJSA-N 2 0 259.781 0.962 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CC[NH+](CC)CC1 ZINC000876780953 613387824 /nfs/dbraw/zinc/38/78/24/613387824.db2.gz KYNYOEXMMGRQLL-GFCCVEGCSA-N 2 0 288.823 0.210 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC000852880492 613409888 /nfs/dbraw/zinc/40/98/88/613409888.db2.gz AQGKBQYWWCEAJP-PWSUYJOCSA-N 2 0 273.327 0.798 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852793897 613423010 /nfs/dbraw/zinc/42/30/10/613423010.db2.gz IWLQZCOTRJJOKA-TZMCWYRMSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCC[NH2+]1 ZINC000877372434 613423029 /nfs/dbraw/zinc/42/30/29/613423029.db2.gz HILIBPPHNYWKFP-NWANDNLSSA-N 2 0 263.385 0.753 20 30 CCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959920551 613564229 /nfs/dbraw/zinc/56/42/29/613564229.db2.gz KMSBVHNTAISWSS-WCVJEAGWSA-N 2 0 289.423 0.951 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497861 613620199 /nfs/dbraw/zinc/62/01/99/613620199.db2.gz LNFAYYHUDSXWFY-AWEZNQCLSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980413179 613630110 /nfs/dbraw/zinc/63/01/10/613630110.db2.gz ROQZOQUPOKLFDW-GJZGRUSLSA-N 2 0 295.427 0.673 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000959962837 613840544 /nfs/dbraw/zinc/84/05/44/613840544.db2.gz BAXUXDFQUWJUBL-VQJWOFKYSA-N 2 0 277.412 0.949 20 30 CCEDRP CC1(C)CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000876872180 614594868 /nfs/dbraw/zinc/59/48/68/614594868.db2.gz UBNFMOWAOACRBQ-OAHLLOKOSA-N 2 0 298.390 0.955 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)OC(C)C ZINC000104158308 615144212 /nfs/dbraw/zinc/14/42/12/615144212.db2.gz IFHHKNORECXBNG-LBPRGKRZSA-N 2 0 284.404 0.717 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(NC2CC2)=[NH+]C)CC1 ZINC000848986903 615162097 /nfs/dbraw/zinc/16/20/97/615162097.db2.gz KKAHDNIGZGQBBN-GFCCVEGCSA-N 2 0 267.421 0.340 20 30 CCEDRP C[NH+](C)C(C)(C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884178323 615838761 /nfs/dbraw/zinc/83/87/61/615838761.db2.gz INSIGQFHIATYFH-MQYJIDSJSA-N 2 0 278.400 0.582 20 30 CCEDRP CN(CCC[N@H+](C)C[C@H](O)CC#N)CC[NH+](C)C ZINC000930501400 615893089 /nfs/dbraw/zinc/89/30/89/615893089.db2.gz AXIIHAQJILWVHA-CYBMUJFWSA-N 2 0 256.394 0.076 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852865107 615991548 /nfs/dbraw/zinc/99/15/48/615991548.db2.gz RRJUVOPWACRMBX-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C[N@H+](CCOCC[NH3+])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923403420 616115665 /nfs/dbraw/zinc/11/56/65/616115665.db2.gz PNSWGIGLUKTGMN-CQSZACIVSA-N 2 0 293.367 0.205 20 30 CCEDRP CN1CCC[NH+]=C1NCCCC[NH+]1CCOCC1 ZINC000848989454 616186241 /nfs/dbraw/zinc/18/62/41/616186241.db2.gz RCIJPNZKUVHUFH-UHFFFAOYSA-N 2 0 254.378 0.380 20 30 CCEDRP C[N@@H+]1CC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248492 616434694 /nfs/dbraw/zinc/43/46/94/616434694.db2.gz ACFRLGPUFYIJOF-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001026045559 625325274 /nfs/dbraw/zinc/32/52/74/625325274.db2.gz HWRIWCZLJOMJSD-XPABHHOTSA-N 2 0 275.396 0.254 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCC(F)F ZINC000189575665 625457056 /nfs/dbraw/zinc/45/70/56/625457056.db2.gz RVYZSDHBBHTCNQ-JTQLQIEISA-N 2 0 278.347 0.657 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC)C1 ZINC001024022322 623197606 /nfs/dbraw/zinc/19/76/06/623197606.db2.gz UHIWBWWAJKZNQZ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001024376952 623301427 /nfs/dbraw/zinc/30/14/27/623301427.db2.gz FXXZKQVPKNLLMH-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006920329 623493308 /nfs/dbraw/zinc/49/33/08/623493308.db2.gz YCLYJOLLZGHXIY-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001022198053 624891829 /nfs/dbraw/zinc/89/18/29/624891829.db2.gz DNRKVCSKNNNQFC-SOUVJXGZSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027462621 625896537 /nfs/dbraw/zinc/89/65/37/625896537.db2.gz AAMQDRDWROVHIW-UONOGXRCSA-N 2 0 265.401 0.883 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261875189 631666329 /nfs/dbraw/zinc/66/63/29/631666329.db2.gz PRJJWVMQJAHRCY-NEPJUHHUSA-N 2 0 254.378 0.412 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986353703 632745673 /nfs/dbraw/zinc/74/56/73/632745673.db2.gz JDPQZMZHVSISNX-TZMCWYRMSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C)[C@H]1C ZINC000987531089 632877392 /nfs/dbraw/zinc/87/73/92/632877392.db2.gz JWLDDPZTAUHZGN-WCQYABFASA-N 2 0 260.341 0.404 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC)C[C@H]2C)CC1 ZINC000989828789 633364823 /nfs/dbraw/zinc/36/48/23/633364823.db2.gz ITZQOMOPZCPCST-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203480 650139932 /nfs/dbraw/zinc/13/99/32/650139932.db2.gz RKHYSTITVUEAMW-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009226243 650140755 /nfs/dbraw/zinc/14/07/55/650140755.db2.gz PDAJLSCQDXSQTG-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996250521 638813174 /nfs/dbraw/zinc/81/31/74/638813174.db2.gz ULHIWQOXELDCQM-CQSZACIVSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996316103 638815162 /nfs/dbraw/zinc/81/51/62/638815162.db2.gz XGHCEQALVZKXJM-QWHCGFSZSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516911 638821302 /nfs/dbraw/zinc/82/13/02/638821302.db2.gz CIYCSKMLBOBEAY-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996617536 638824853 /nfs/dbraw/zinc/82/48/53/638824853.db2.gz BQTKWSFQLDUULG-CABCVRRESA-N 2 0 291.395 0.063 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000997310742 638862716 /nfs/dbraw/zinc/86/27/16/638862716.db2.gz UFGUGGFHYNKAPH-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999405768 638980470 /nfs/dbraw/zinc/98/04/70/638980470.db2.gz HWCOLIOGHIXUJJ-IYXRBSQSSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999596353 638988571 /nfs/dbraw/zinc/98/85/71/638988571.db2.gz LNHHOMQPGDHPBI-CQSZACIVSA-N 2 0 275.396 0.829 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999599991 638988662 /nfs/dbraw/zinc/98/86/62/638988662.db2.gz XPGRGIIXJNCZAR-UHFFFAOYSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151679 639248292 /nfs/dbraw/zinc/24/82/92/639248292.db2.gz OAGRQZSOYBDHBT-ZBFHGGJFSA-N 2 0 289.423 0.956 20 30 CCEDRP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001451899 639304615 /nfs/dbraw/zinc/30/46/15/639304615.db2.gz OOGBADSUDMKCDY-CQSZACIVSA-N 2 0 263.385 0.872 20 30 CCEDRP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002118718 639369733 /nfs/dbraw/zinc/36/97/33/639369733.db2.gz SASDJQBRAKMLCL-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015708698 650613823 /nfs/dbraw/zinc/61/38/23/650613823.db2.gz JTJDZUSTOGCNJF-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015702070 650611513 /nfs/dbraw/zinc/61/15/13/650611513.db2.gz LLYRSENFZHUQSG-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000834484650 642575841 /nfs/dbraw/zinc/57/58/41/642575841.db2.gz LINMPOAYFXRNAM-NDBYEHHHSA-N 2 0 264.373 0.512 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016969158 650775076 /nfs/dbraw/zinc/77/50/76/650775076.db2.gz JWEACOOOAVRITB-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000841850014 642843299 /nfs/dbraw/zinc/84/32/99/642843299.db2.gz TXVXFNWDPUUNCG-AGIUHOORSA-N 2 0 258.325 0.223 20 30 CCEDRP C[C@]([NH3+])(C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000843461274 643065318 /nfs/dbraw/zinc/06/53/18/643065318.db2.gz TZGJTYRXMYCVLG-MPKXVKKWSA-N 2 0 258.325 0.088 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000846677100 643441623 /nfs/dbraw/zinc/44/16/23/643441623.db2.gz KMWQBZILHNYYFW-AAEUAGOBSA-N 2 0 258.325 0.029 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848418535 643634639 /nfs/dbraw/zinc/63/46/39/643634639.db2.gz NHHINDOJJCVDDY-ZDUSSCGKSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@H](CC[NH+](C)C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862394 644030088 /nfs/dbraw/zinc/03/00/88/644030088.db2.gz CLQVGMREMLFUAB-GFCCVEGCSA-N 2 0 251.374 0.446 20 30 CCEDRP C[C@H]1C[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852870432 644034535 /nfs/dbraw/zinc/03/45/35/644034535.db2.gz OGLGDLJMKZZDLJ-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000852878917 644038332 /nfs/dbraw/zinc/03/83/32/644038332.db2.gz ARWAGLGZTQCYRV-QGZVFWFLSA-N 2 0 297.402 0.993 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001019340930 650962179 /nfs/dbraw/zinc/96/21/79/650962179.db2.gz OYDDKVAURIMWHU-QWHCGFSZSA-N 2 0 251.374 0.396 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876976463 646711069 /nfs/dbraw/zinc/71/10/69/646711069.db2.gz LUIRXPVNMRVGQJ-YAJUMTOWSA-N 2 0 296.374 0.613 20 30 CCEDRP NC(=[NH2+])NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000131480958 647511964 /nfs/dbraw/zinc/51/19/64/647511964.db2.gz GQNBSJKBKREYJY-UHFFFAOYSA-N 2 0 287.411 0.992 20 30 CCEDRP C[C@@H]1[NH2+]CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H]1C ZINC000884272332 647691116 /nfs/dbraw/zinc/69/11/16/647691116.db2.gz UXFYFMOKICCHOU-TZUXDYLNSA-N 2 0 276.384 0.335 20 30 CCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884338288 647711135 /nfs/dbraw/zinc/71/11/35/647711135.db2.gz CVRSNWXTVOPFFO-XWAURUHHSA-N 2 0 278.400 0.615 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000303883552 649826285 /nfs/dbraw/zinc/82/62/85/649826285.db2.gz IPYICIFISCVFML-UHFFFAOYSA-N 2 0 253.394 0.104 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000303897708 649826673 /nfs/dbraw/zinc/82/66/73/649826673.db2.gz QUTDZGFQXJWHHN-RYUDHWBXSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000304013771 649828733 /nfs/dbraw/zinc/82/87/33/649828733.db2.gz CBJXRSKLZTZYNF-QWHCGFSZSA-N 2 0 268.405 0.944 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H](C)COC ZINC000304853765 649840147 /nfs/dbraw/zinc/84/01/47/649840147.db2.gz ZSUBPIDTERJXLL-NWDGAFQWSA-N 2 0 274.409 0.282 20 30 CCEDRP C#CC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266284582 790402543 /nfs/dbraw/zinc/40/25/43/790402543.db2.gz HIBHKVHOCUSCKO-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266288910 790423127 /nfs/dbraw/zinc/42/31/27/790423127.db2.gz UFRQLXBIRKTBND-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001266412457 790655825 /nfs/dbraw/zinc/65/58/25/790655825.db2.gz UCLGQXQSJPNDPD-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001266950308 791385670 /nfs/dbraw/zinc/38/56/70/791385670.db2.gz TZXWMFAOBBTQDV-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267068780 791495835 /nfs/dbraw/zinc/49/58/35/791495835.db2.gz ITVJQGCMMLZACI-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267133000 791578937 /nfs/dbraw/zinc/57/89/37/791578937.db2.gz VXCVJQYCSPDSGJ-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001277947205 806427373 /nfs/dbraw/zinc/42/73/73/806427373.db2.gz IZHMCDNZHUNUPH-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CCCCC#N)C[C@H](C1)O2 ZINC001277951528 806444432 /nfs/dbraw/zinc/44/44/32/806444432.db2.gz KXZLCYGHBDKOPH-GASCZTMLSA-N 2 0 280.416 0.627 20 30 CCEDRP C=CC[NH2+]CCN(CCCOC)C1CC[NH2+]CC1 ZINC001235934786 806519575 /nfs/dbraw/zinc/51/95/75/806519575.db2.gz CQICQUGRPRMRIJ-UHFFFAOYSA-N 2 0 255.406 0.853 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001121293298 799027352 /nfs/dbraw/zinc/02/73/52/799027352.db2.gz ZFNTXTSOKZEKJW-ARFHVFGLSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC001121951957 799106348 /nfs/dbraw/zinc/10/63/48/799106348.db2.gz PPYGHSJCAGLYKY-UHFFFAOYSA-N 2 0 279.409 0.861 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001122319866 799196998 /nfs/dbraw/zinc/19/69/98/799196998.db2.gz KWSKIYYRRNXCHK-DYEKYZERSA-N 2 0 264.373 0.737 20 30 CCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001124835589 799639272 /nfs/dbraw/zinc/63/92/72/799639272.db2.gz BHGZLTSQQQDSDW-HNNXBMFYSA-N 2 0 286.379 0.858 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC001138309022 799717591 /nfs/dbraw/zinc/71/75/91/799717591.db2.gz IYZDKWQEUOJSLB-UHFFFAOYSA-N 2 0 296.459 0.637 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881998 800304262 /nfs/dbraw/zinc/30/42/62/800304262.db2.gz WAJDRHFELCAISE-GJZGRUSLSA-N 2 0 297.443 0.966 20 30 CCEDRP N#Cc1ncc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)nc1C#N ZINC001155381999 800962061 /nfs/dbraw/zinc/96/20/61/800962061.db2.gz JTXLVSZUYPKNKT-LBPRGKRZSA-N 2 0 297.366 0.079 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383005 801159300 /nfs/dbraw/zinc/15/93/00/801159300.db2.gz GEYBPXXONHULLX-CYBMUJFWSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156882732 801253622 /nfs/dbraw/zinc/25/36/22/801253622.db2.gz KTUALQDWJRBBEQ-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073580 801563866 /nfs/dbraw/zinc/56/38/66/801563866.db2.gz QBQCLWOMQDGOJW-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505657 801660466 /nfs/dbraw/zinc/66/04/66/801660466.db2.gz FFLOPXXWNAMOJC-KGLIPLIRSA-N 2 0 281.400 0.522 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161052203 802077044 /nfs/dbraw/zinc/07/70/44/802077044.db2.gz JEQWJWMPSQBMAV-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161088475 802087517 /nfs/dbraw/zinc/08/75/17/802087517.db2.gz ASSYXWQAXUFFDK-UHFFFAOYSA-N 2 0 263.385 0.710 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161594982 802187674 /nfs/dbraw/zinc/18/76/74/802187674.db2.gz JAKZDIORXJJFEX-INIZCTEOSA-N 2 0 283.375 0.958 20 30 CCEDRP C=CC(NCC[C@H]1CCOC12C[NH2+]C2)=[NH+]COC ZINC001163088658 802472811 /nfs/dbraw/zinc/47/28/11/802472811.db2.gz ZWGKXSLSIGGGOD-NSHDSACASA-N 2 0 253.346 0.533 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166690417 802938765 /nfs/dbraw/zinc/93/87/65/802938765.db2.gz ABSSRTMERNRSKF-STQMWFEESA-N 2 0 251.374 0.303 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616040 803037555 /nfs/dbraw/zinc/03/75/55/803037555.db2.gz TXCZCDCOZHFTQV-KBPBESRZSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203641697 803040212 /nfs/dbraw/zinc/04/02/12/803040212.db2.gz UJAPCALBCFSQMZ-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCn1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205231483 803129776 /nfs/dbraw/zinc/12/97/76/803129776.db2.gz YLKFRSZGDQIKCC-AWEZNQCLSA-N 2 0 264.373 0.745 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001205461576 803141889 /nfs/dbraw/zinc/14/18/89/803141889.db2.gz NXVUMMPAJRTAPZ-HNNXBMFYSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208435021 803514844 /nfs/dbraw/zinc/51/48/44/803514844.db2.gz OJUITNXDFSNINK-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276641331 803605546 /nfs/dbraw/zinc/60/55/46/803605546.db2.gz LNIHKNGEKSPXJF-LSDHHAIUSA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209677228 803621502 /nfs/dbraw/zinc/62/15/02/803621502.db2.gz CLZNFMRMBJANQG-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211282812 803675364 /nfs/dbraw/zinc/67/53/64/803675364.db2.gz CMPAOHNGYKAGCD-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001276707350 803709451 /nfs/dbraw/zinc/70/94/51/803709451.db2.gz FNAILVLWIPKDRT-LVQVYYBASA-N 2 0 291.439 0.890 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336086 803734867 /nfs/dbraw/zinc/73/48/67/803734867.db2.gz TYCXXXUSTMMLKA-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1C#N ZINC001218986978 804174991 /nfs/dbraw/zinc/17/49/91/804174991.db2.gz ICBGJHRIJYBQPJ-AWEZNQCLSA-N 2 0 298.350 0.278 20 30 CCEDRP C#Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1F ZINC001219383705 804293881 /nfs/dbraw/zinc/29/38/81/804293881.db2.gz AGMMNWUOYMJIBX-LBPRGKRZSA-N 2 0 273.311 0.555 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(C#N)c1 ZINC001219392992 804296068 /nfs/dbraw/zinc/29/60/68/804296068.db2.gz HRWZTHALOYSNDG-AWEZNQCLSA-N 2 0 283.335 0.695 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276627 804557905 /nfs/dbraw/zinc/55/79/05/804557905.db2.gz FYABLSATOVQVFR-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C1CC=C(F)C=C1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220797474 804669128 /nfs/dbraw/zinc/66/91/28/804669128.db2.gz QKFUKIHZJKVIEI-JTQLQIEISA-N 2 0 271.361 0.819 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272168592 815035746 /nfs/dbraw/zinc/03/57/46/815035746.db2.gz LHXHMOLTLBPNDS-ZIAGYGMSSA-N 2 0 283.416 0.313 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCCC[NH+]1CCCC1 ZINC001221032328 804723895 /nfs/dbraw/zinc/72/38/95/804723895.db2.gz QDYCIKOREHZPBY-UHFFFAOYSA-N 2 0 266.389 0.337 20 30 CCEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272172224 815036304 /nfs/dbraw/zinc/03/63/04/815036304.db2.gz MBYNPFVBCCZWDL-CYBMUJFWSA-N 2 0 253.390 0.904 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223429870 804971281 /nfs/dbraw/zinc/97/12/81/804971281.db2.gz CVLRGUQUUPNDPC-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001277216485 805361486 /nfs/dbraw/zinc/36/14/86/805361486.db2.gz CVROBYOOQRDBRI-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277224919 805372662 /nfs/dbraw/zinc/37/26/62/805372662.db2.gz NJCBKIAOMFVCAF-LBPRGKRZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001277234089 805384913 /nfs/dbraw/zinc/38/49/13/805384913.db2.gz QVXORHOUBYOZRA-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCOCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008617 805497461 /nfs/dbraw/zinc/49/74/61/805497461.db2.gz SBDIMNNBCYDMKC-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246021449 807120710 /nfs/dbraw/zinc/12/07/10/807120710.db2.gz MOXLXMJVUCQPAI-UONOGXRCSA-N 2 0 254.374 0.448 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246022933 807122384 /nfs/dbraw/zinc/12/23/84/807122384.db2.gz RACFIZQQWLRHNI-CHWSQXEVSA-N 2 0 260.353 0.703 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246059680 807137437 /nfs/dbraw/zinc/13/74/37/807137437.db2.gz LSSWLWBHYPDHTK-MCIONIFRSA-N 2 0 252.358 0.071 20 30 CCEDRP N#Cc1ccccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246187485 807180952 /nfs/dbraw/zinc/18/09/52/807180952.db2.gz OFPVWTCFSTVBBH-CQSZACIVSA-N 2 0 256.353 0.742 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001278594629 807611479 /nfs/dbraw/zinc/61/14/79/807611479.db2.gz OMVNZYYWMFHQBZ-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001251708156 807696843 /nfs/dbraw/zinc/69/68/43/807696843.db2.gz LXNRWXUDCRHCCP-AWEZNQCLSA-N 2 0 278.400 0.431 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001251857537 807722872 /nfs/dbraw/zinc/72/28/72/807722872.db2.gz FFMMGMFRCPZHQW-SOUVJXGZSA-N 2 0 266.385 0.271 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001251881627 807732201 /nfs/dbraw/zinc/73/22/01/807732201.db2.gz YNNCOLTXZIRDBX-OWCLPIDISA-N 2 0 282.428 0.955 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001251896931 807741459 /nfs/dbraw/zinc/74/14/59/807741459.db2.gz QBRRQHLMGIVZJK-BFHYXJOUSA-N 2 0 254.374 0.460 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076105401 815244580 /nfs/dbraw/zinc/24/45/80/815244580.db2.gz GDLNFRDOBHZKKV-UONOGXRCSA-N 2 0 272.352 0.439 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001261495010 808997678 /nfs/dbraw/zinc/99/76/78/808997678.db2.gz NMPXOEKSQUHVMC-CYBMUJFWSA-N 2 0 290.371 0.767 20 30 CCEDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001262556935 809342108 /nfs/dbraw/zinc/34/21/08/809342108.db2.gz ICLVTLGDTOXQPR-INIZCTEOSA-N 2 0 288.395 0.429 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265356098 809763845 /nfs/dbraw/zinc/76/38/45/809763845.db2.gz IJZFSLWVWBNANA-HOTGVXAUSA-N 2 0 289.423 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265621035 809814574 /nfs/dbraw/zinc/81/45/74/809814574.db2.gz AZNJVDOCONIXPH-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCOC)C2)CC1 ZINC001265947569 809903137 /nfs/dbraw/zinc/90/31/37/809903137.db2.gz PQUCGJDQLTVRMX-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266119685 809939016 /nfs/dbraw/zinc/93/90/16/809939016.db2.gz KCADCIHFBLJBJP-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768708 811764554 /nfs/dbraw/zinc/76/45/54/811764554.db2.gz RPFVXIRONZJUEE-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000709482043 811908376 /nfs/dbraw/zinc/90/83/76/811908376.db2.gz LIXYGVOPRSXGTR-AGIUHOORSA-N 2 0 264.373 0.751 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267999945 811936724 /nfs/dbraw/zinc/93/67/24/811936724.db2.gz GBGDFULTMRTCMT-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268009132 811947600 /nfs/dbraw/zinc/94/76/00/811947600.db2.gz FYGVCZBGJSRXAA-CABCVRRESA-N 2 0 297.443 0.564 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884020 812116343 /nfs/dbraw/zinc/11/63/43/812116343.db2.gz FQRVCZCFFGTTLE-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886845 812119329 /nfs/dbraw/zinc/11/93/29/812119329.db2.gz YPKQAKBWELMILV-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886854 812119429 /nfs/dbraw/zinc/11/94/29/812119429.db2.gz YTGCHCOFZATHOH-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP N#Cc1cc(Cl)nc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167879729 812388979 /nfs/dbraw/zinc/38/89/79/812388979.db2.gz OXNUNZSJJREBEK-UHFFFAOYSA-N 2 0 267.724 0.677 20 30 CCEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613795 812402954 /nfs/dbraw/zinc/40/29/54/812402954.db2.gz PYXIOWAPHABNRJ-BFHYXJOUSA-N 2 0 263.385 0.799 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028267920 812534413 /nfs/dbraw/zinc/53/44/13/812534413.db2.gz OPBCKWVBNYSASY-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268590006 812877442 /nfs/dbraw/zinc/87/74/42/812877442.db2.gz BOARTECLLBRZPG-GEXIGZQTSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268760436 813071811 /nfs/dbraw/zinc/07/18/11/813071811.db2.gz UWQKWRHWZOJTSQ-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270303809 813714606 /nfs/dbraw/zinc/71/46/06/813714606.db2.gz JUTNQBDUYXUOBX-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980906 816201849 /nfs/dbraw/zinc/20/18/49/816201849.db2.gz WCFAUQLJIGOMLW-RDBSUJKOSA-N 2 0 263.385 0.540 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001121931746 816487200 /nfs/dbraw/zinc/48/72/00/816487200.db2.gz ROBBYELPWJZWIE-QJPTWQEYSA-N 2 0 250.346 0.087 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881505 816973644 /nfs/dbraw/zinc/97/36/44/816973644.db2.gz FBIAGAKOVBBTJM-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473980 817144162 /nfs/dbraw/zinc/14/41/62/817144162.db2.gz DVBZCUDHZRKOBM-LBPRGKRZSA-N 2 0 271.792 0.787 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675347 817236633 /nfs/dbraw/zinc/23/66/33/817236633.db2.gz DSHBXLDSGIKQSL-CQSZACIVSA-N 2 0 263.385 0.562 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001031967930 817505070 /nfs/dbraw/zinc/50/50/70/817505070.db2.gz IHMIMVQEACBKPK-ZDUSSCGKSA-N 2 0 286.379 0.901 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976509 817514241 /nfs/dbraw/zinc/51/42/41/817514241.db2.gz NHEPTMXXKNMUOI-OCCSQVGLSA-N 2 0 263.385 0.255 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976129 817514475 /nfs/dbraw/zinc/51/44/75/817514475.db2.gz FVVCPYRIYVNYGC-GXTWGEPZSA-N 2 0 265.401 0.808 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781438 817685473 /nfs/dbraw/zinc/68/54/73/817685473.db2.gz HWIULBYEJYYAFG-MCIONIFRSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=C)C)C2)CC1 ZINC001032207472 817704173 /nfs/dbraw/zinc/70/41/73/817704173.db2.gz SADBRFJBGJJNEM-UHFFFAOYSA-N 2 0 289.423 0.956 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001047611780 817794234 /nfs/dbraw/zinc/79/42/34/817794234.db2.gz ITOXTQQAQXBNPJ-KBPBESRZSA-N 2 0 292.383 0.340 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718253 818041210 /nfs/dbraw/zinc/04/12/10/818041210.db2.gz MZZVKWOJTFIGSI-CABCVRRESA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960317 818389203 /nfs/dbraw/zinc/38/92/03/818389203.db2.gz QWEGQXUAGLQDJK-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030169 818488471 /nfs/dbraw/zinc/48/84/71/818488471.db2.gz LVQZOJWQBWUAPK-MRXNPFEDSA-N 2 0 293.411 0.475 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081325 818497148 /nfs/dbraw/zinc/49/71/48/818497148.db2.gz MDWARUPALPFLFJ-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081321 818497440 /nfs/dbraw/zinc/49/74/40/818497440.db2.gz MDWARUPALPFLFJ-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592074 818843735 /nfs/dbraw/zinc/84/37/35/818843735.db2.gz FOPRRSQKMIXFBE-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033788863 818934519 /nfs/dbraw/zinc/93/45/19/818934519.db2.gz KPENPZMAYOWZRV-LSDHHAIUSA-N 2 0 293.411 0.263 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033788862 818934559 /nfs/dbraw/zinc/93/45/59/818934559.db2.gz KPENPZMAYOWZRV-HUUCEWRRSA-N 2 0 293.411 0.263 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034040929 819041449 /nfs/dbraw/zinc/04/14/49/819041449.db2.gz ZVXZBOFZRXJNKI-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCC1 ZINC001273142289 819560989 /nfs/dbraw/zinc/56/09/89/819560989.db2.gz YBHRCUNCWSURHR-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079709214 820455555 /nfs/dbraw/zinc/45/55/55/820455555.db2.gz SZHUBJCFUNZELE-VHDGCEQUSA-N 2 0 275.396 0.398 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053810 821189827 /nfs/dbraw/zinc/18/98/27/821189827.db2.gz LUCPXCIYGUMVNH-MJBXVCDLSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001085319522 821659513 /nfs/dbraw/zinc/65/95/13/821659513.db2.gz AVQHWFDJPUMKSI-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100009540 822019448 /nfs/dbraw/zinc/01/94/48/822019448.db2.gz ZXADPQHESUCAFF-ZIAGYGMSSA-N 2 0 297.443 0.702 20 30 CCEDRP N#Cc1cc(Cl)nnc1NC(=N)NCCCC[NH3+] ZINC001157094532 836797924 /nfs/dbraw/zinc/79/79/24/836797924.db2.gz SMXJVTVISVMONJ-UHFFFAOYSA-N 2 0 267.724 0.677 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)CC1 ZINC001086558429 836908172 /nfs/dbraw/zinc/90/81/72/836908172.db2.gz OOLOBFAFFYKBBU-CTYIDZIISA-N 2 0 295.402 0.786 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130615561 837869144 /nfs/dbraw/zinc/86/91/44/837869144.db2.gz NJPUTNHEJMGSID-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196224 837970145 /nfs/dbraw/zinc/97/01/45/837970145.db2.gz KFBAUNNZRKXASV-OAHLLOKOSA-N 2 0 293.411 0.074 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423589 838389783 /nfs/dbraw/zinc/38/97/83/838389783.db2.gz ARULLNSKOLGTNB-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426309 838392731 /nfs/dbraw/zinc/39/27/31/838392731.db2.gz VLXVGDFLRKMGFN-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245529 838583104 /nfs/dbraw/zinc/58/31/04/838583104.db2.gz GNONZSDOQZIURB-LSDHHAIUSA-N 2 0 297.443 0.825 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103260 839162205 /nfs/dbraw/zinc/16/22/05/839162205.db2.gz ZEBZWAWWTRMHFD-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135316285 839209127 /nfs/dbraw/zinc/20/91/27/839209127.db2.gz SRFMTDBDHOHONC-LSDHHAIUSA-N 2 0 297.443 0.851 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938506 839473537 /nfs/dbraw/zinc/47/35/37/839473537.db2.gz KMQFUBUXVQPUPK-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937835 839473556 /nfs/dbraw/zinc/47/35/56/839473556.db2.gz APNAFRHMLJDANL-OLZOCXBDSA-N 2 0 263.385 0.588 20 30 CCEDRP COC(OC)c1c(C#N)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170896845 839540733 /nfs/dbraw/zinc/54/07/33/839540733.db2.gz AMEUECCYPORKDG-SNVBAGLBSA-N 2 0 279.344 0.680 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718887 840353794 /nfs/dbraw/zinc/35/37/94/840353794.db2.gz JQMKAYXQKKOAMB-UHFFFAOYSA-N 2 0 292.221 0.943 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042758 840612470 /nfs/dbraw/zinc/61/24/70/840612470.db2.gz UXPZZGYUDOHLIR-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147885272 840702311 /nfs/dbraw/zinc/70/23/11/840702311.db2.gz LDAKKUQIBVELBC-ZDUSSCGKSA-N 2 0 269.389 0.237 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577716 841672166 /nfs/dbraw/zinc/67/21/66/841672166.db2.gz MBMGLAZEYQXTNH-ZMSDIMECSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCOC1CCC([NH2+]C[C@H](CN)C(=O)OC)CC1 ZINC001173315668 842051316 /nfs/dbraw/zinc/05/13/16/842051316.db2.gz OXTCTSDCXPDAGD-HIFPTAJRSA-N 2 0 270.373 0.838 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176845737 842446503 /nfs/dbraw/zinc/44/65/03/842446503.db2.gz VOUOHEOJVPARAK-BETUJISGSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360073 842832015 /nfs/dbraw/zinc/83/20/15/842832015.db2.gz KIDSZKLVFNPECV-SOUVJXGZSA-N 2 0 295.427 0.862 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCC([NH3+])(CCOC)CC1 ZINC001183091898 843962821 /nfs/dbraw/zinc/96/28/21/843962821.db2.gz PZAIOPBVOSAPMJ-UHFFFAOYSA-N 2 0 295.427 0.995 20 30 CCEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121397 844652998 /nfs/dbraw/zinc/65/29/98/844652998.db2.gz JJYNSZYTIRITHX-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189890732 845278271 /nfs/dbraw/zinc/27/82/71/845278271.db2.gz IBJDLTSDCJNSKL-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191019435 845566484 /nfs/dbraw/zinc/56/64/84/845566484.db2.gz MFCBGIBXJXBGDV-CYBMUJFWSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047017 845770712 /nfs/dbraw/zinc/77/07/12/845770712.db2.gz QCPNEZFPBHIWQJ-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487916 846091253 /nfs/dbraw/zinc/09/12/53/846091253.db2.gz HMPTWKUHSYJADV-AWEZNQCLSA-N 2 0 283.416 0.673 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487522 846091948 /nfs/dbraw/zinc/09/19/48/846091948.db2.gz ANSOFLQEWGKDPG-AWEZNQCLSA-N 2 0 281.400 0.121 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152148356 846402559 /nfs/dbraw/zinc/40/25/59/846402559.db2.gz ORQCBCHYTFPTLS-ZIAGYGMSSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970831 846821569 /nfs/dbraw/zinc/82/15/69/846821569.db2.gz YULOQMPZCOSNPE-UHFFFAOYSA-N 2 0 265.401 0.886 20 30 CCEDRP COCC#CCN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044810 846830203 /nfs/dbraw/zinc/83/02/03/846830203.db2.gz WSDRVZSJJHVCGQ-UHFFFAOYSA-N 2 0 281.400 0.122 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001251884667 847318250 /nfs/dbraw/zinc/31/82/50/847318250.db2.gz DGMPWZGJLXJSLS-MRXNPFEDSA-N 2 0 276.380 0.849 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807594 847694091 /nfs/dbraw/zinc/69/40/91/847694091.db2.gz WHQWBZLXOLVCMR-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201808602 847815369 /nfs/dbraw/zinc/81/53/69/847815369.db2.gz DSLHXRGMMRQYEI-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202059411 847851240 /nfs/dbraw/zinc/85/12/40/847851240.db2.gz PAVFGFRAQBFIKH-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=C[C@@](C)(O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252549676 848001644 /nfs/dbraw/zinc/00/16/44/848001644.db2.gz GSTQDWQGUZYTBC-CQSZACIVSA-N 2 0 272.389 0.740 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)COCc1cccs1 ZINC000717759653 848493319 /nfs/dbraw/zinc/49/33/19/848493319.db2.gz CIVZQUSWLLFBEV-CYBMUJFWSA-N 2 0 282.409 0.780 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274785910 848566751 /nfs/dbraw/zinc/56/67/51/848566751.db2.gz GLSGTVKSZKYDIF-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980240 849037079 /nfs/dbraw/zinc/03/70/79/849037079.db2.gz WGACFMCWVZMQEE-MCIONIFRSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632609 849747610 /nfs/dbraw/zinc/74/76/10/849747610.db2.gz YVZPMGSXSZNYSF-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028871 850126802 /nfs/dbraw/zinc/12/68/02/850126802.db2.gz RYGXZOJKARTQNQ-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216070 850597663 /nfs/dbraw/zinc/59/76/63/850597663.db2.gz LGQCABVGCHOFAL-GOEBONIOSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046839282 851624739 /nfs/dbraw/zinc/62/47/39/851624739.db2.gz QEXSQJZDWJJXCH-DZGCQCFKSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046839284 851625321 /nfs/dbraw/zinc/62/53/21/851625321.db2.gz QEXSQJZDWJJXCH-UKRRQHHQSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049058749 852149372 /nfs/dbraw/zinc/14/93/72/852149372.db2.gz HUSOYIDXDLBFQJ-GASCZTMLSA-N 2 0 289.423 0.742 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056968 852150093 /nfs/dbraw/zinc/15/00/93/852150093.db2.gz FQICIMYLXJZDKG-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058484 852150592 /nfs/dbraw/zinc/15/05/92/852150592.db2.gz DRJARTMDRRHXQC-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847616 852386497 /nfs/dbraw/zinc/38/64/97/852386497.db2.gz YBPYOHZLUKMEJO-LSDHHAIUSA-N 2 0 287.407 0.781 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001098445990 854867154 /nfs/dbraw/zinc/86/71/54/854867154.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 0 291.395 0.062 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001098445967 854868320 /nfs/dbraw/zinc/86/83/20/854868320.db2.gz YZFWHLXNJHYTOX-APIJFGDWSA-N 2 0 293.411 0.615 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879711 855017649 /nfs/dbraw/zinc/01/76/49/855017649.db2.gz OMHAGOREVPYIFK-ZIAGYGMSSA-N 2 0 281.400 0.208 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986481 855061714 /nfs/dbraw/zinc/06/17/14/855061714.db2.gz LLFZINHRPZNNCE-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100871476 855232876 /nfs/dbraw/zinc/23/28/76/855232876.db2.gz UBSDHOZQXRTQOA-UHFFFAOYSA-N 2 0 275.396 0.590 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366973 855431527 /nfs/dbraw/zinc/43/15/27/855431527.db2.gz WWYWMSURARGJMZ-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC001119304187 856624578 /nfs/dbraw/zinc/62/45/78/856624578.db2.gz IVDSUEGFAGPNKR-ZIAGYGMSSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001324853591 913063780 /nfs/dbraw/zinc/06/37/80/913063780.db2.gz ZMLXTMVKRZUYQS-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325122357 913228465 /nfs/dbraw/zinc/22/84/65/913228465.db2.gz FVTHNKBBMYZUSC-OAHLLOKOSA-N 2 0 281.400 0.067 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001481054700 892116666 /nfs/dbraw/zinc/11/66/66/892116666.db2.gz QPQDUBOCPZCPJG-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498171 893413258 /nfs/dbraw/zinc/41/32/58/893413258.db2.gz ADJLRZRTRSFECG-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482141393 893433837 /nfs/dbraw/zinc/43/38/37/893433837.db2.gz CLENOBOJCNVBNO-ZIAGYGMSSA-N 2 0 265.401 0.693 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323776 893862089 /nfs/dbraw/zinc/86/20/89/893862089.db2.gz QVAAWRSTWKVBIY-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001482353667 893907953 /nfs/dbraw/zinc/90/79/53/893907953.db2.gz FAPUFTNNTGINCU-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001501617644 893957715 /nfs/dbraw/zinc/95/77/15/893957715.db2.gz BXIFKEDBOSVECB-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482586776 894294909 /nfs/dbraw/zinc/29/49/09/894294909.db2.gz QVPLDNPNHGIOCL-AWEZNQCLSA-N 2 0 283.416 0.673 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCF)CC1 ZINC001482903081 894680206 /nfs/dbraw/zinc/68/02/06/894680206.db2.gz WVQOTDKKGFHWPB-CYBMUJFWSA-N 2 0 283.391 0.786 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001482945909 894718700 /nfs/dbraw/zinc/71/87/00/894718700.db2.gz BHLFFKRQKVERMU-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001484688499 896543314 /nfs/dbraw/zinc/54/33/14/896543314.db2.gz WYLSQOZGMQZHMN-ZIAGYGMSSA-N 2 0 283.416 0.576 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001484695745 896551724 /nfs/dbraw/zinc/55/17/24/896551724.db2.gz IBBKOFBNEVPRPQ-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001484897350 896658200 /nfs/dbraw/zinc/65/82/00/896658200.db2.gz KEWAVNDYKFGSER-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485077571 896754452 /nfs/dbraw/zinc/75/44/52/896754452.db2.gz OUFYQLVDLFGGIO-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006202 898173513 /nfs/dbraw/zinc/17/35/13/898173513.db2.gz VSNAYFNSEPNFSD-BFHYXJOUSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485943723 898528953 /nfs/dbraw/zinc/52/89/53/898528953.db2.gz CSUSNYRIVXLLGQ-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001486010566 898606130 /nfs/dbraw/zinc/60/61/30/898606130.db2.gz LEHCKSXICAVHJS-QWHCGFSZSA-N 2 0 292.383 0.088 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001486065410 898631809 /nfs/dbraw/zinc/63/18/09/898631809.db2.gz GPPZBHBXCUXGFV-GJZGRUSLSA-N 2 0 297.443 0.750 20 30 CCEDRP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001486348802 898829055 /nfs/dbraw/zinc/82/90/55/898829055.db2.gz HMUDWXMCFWSVSE-KBPBESRZSA-N 2 0 283.416 0.101 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001489002547 900422973 /nfs/dbraw/zinc/42/29/73/900422973.db2.gz KDSLJWNNUPWKLR-QLFBSQMISA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001491073191 903339917 /nfs/dbraw/zinc/33/99/17/903339917.db2.gz FVTKBTBSESGKNU-OKILXGFUSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491170924 903418012 /nfs/dbraw/zinc/41/80/12/903418012.db2.gz YQFDJUSCVCYFPJ-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952877 903846531 /nfs/dbraw/zinc/84/65/31/903846531.db2.gz QDVHMROSGNKRGN-RBSFLKMASA-N 2 0 297.443 0.966 20 30 CCEDRP C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC001331689742 904007263 /nfs/dbraw/zinc/00/72/63/904007263.db2.gz OEFHWNINIJATOU-PWSUYJOCSA-N 2 0 252.362 0.512 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001329168937 915721247 /nfs/dbraw/zinc/72/12/47/915721247.db2.gz OCEKUWJPIHYTSZ-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CCC[NH+]1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001281587234 904309108 /nfs/dbraw/zinc/30/91/08/904309108.db2.gz CBSVBRZVOUFWBY-UHFFFAOYSA-N 2 0 294.443 0.343 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001283556317 904905404 /nfs/dbraw/zinc/90/54/04/904905404.db2.gz HSEZGVSQGBOEDJ-CQSZACIVSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283556056 904906303 /nfs/dbraw/zinc/90/63/03/904906303.db2.gz KDGMGDCCOMJGCN-CABCVRRESA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491857148 907607950 /nfs/dbraw/zinc/60/79/50/907607950.db2.gz QJTSTGIQEGCJEK-GJZGRUSLSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001316961520 908864205 /nfs/dbraw/zinc/86/42/05/908864205.db2.gz MDMUCTINESCMGF-HNNXBMFYSA-N 2 0 294.443 0.084 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317030273 908932479 /nfs/dbraw/zinc/93/24/79/908932479.db2.gz MPIHYPAOHHFBMW-CQSZACIVSA-N 2 0 275.396 0.590 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317065558 908953253 /nfs/dbraw/zinc/95/32/53/908953253.db2.gz POGMPZLYTXEHLM-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317127557 909002579 /nfs/dbraw/zinc/00/25/79/909002579.db2.gz IRLZEVMNRSCTSN-BETUJISGSA-N 2 0 251.374 0.587 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317508253 909278708 /nfs/dbraw/zinc/27/87/08/909278708.db2.gz HOYCZACSSQBLCM-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317665393 909461187 /nfs/dbraw/zinc/46/11/87/909461187.db2.gz TVALBXRAXIYHFE-OAHLLOKOSA-N 2 0 297.443 0.969 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001320316311 910607528 /nfs/dbraw/zinc/60/75/28/910607528.db2.gz MSRCYGIDFBIHKF-CABCVRRESA-N 2 0 297.443 0.750 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001320920623 910935669 /nfs/dbraw/zinc/93/56/69/910935669.db2.gz HIIAZRSLZCIAQH-UHFFFAOYSA-N 2 0 251.374 0.544 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001339143140 921663508 /nfs/dbraw/zinc/66/35/08/921663508.db2.gz ZTRSAVBYNLTCDM-OAHLLOKOSA-N 2 0 275.396 0.542 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001321756196 911472966 /nfs/dbraw/zinc/47/29/66/911472966.db2.gz KNGQLRARWRWJGT-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)Cc1cnccc1OC ZINC001321896998 911561620 /nfs/dbraw/zinc/56/16/20/911561620.db2.gz MLUVBOPHHIZKHP-LBPRGKRZSA-N 2 0 275.352 0.750 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001323035105 912079891 /nfs/dbraw/zinc/07/98/91/912079891.db2.gz UQSFEENEXHCGFF-CQSZACIVSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)O)CC1 ZINC001328457950 915210651 /nfs/dbraw/zinc/21/06/51/915210651.db2.gz BGFGZFXYBVKUAC-UONOGXRCSA-N 2 0 295.427 0.197 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330425838 916623213 /nfs/dbraw/zinc/62/32/13/916623213.db2.gz GFLZUPDIUIVSJD-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331437613 917333686 /nfs/dbraw/zinc/33/36/86/917333686.db2.gz BQGFNPYBIVODBS-OCCSQVGLSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001331602522 917442674 /nfs/dbraw/zinc/44/26/74/917442674.db2.gz YUWLOIMGYJMMBA-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001336771139 920995600 /nfs/dbraw/zinc/99/56/00/920995600.db2.gz PTDMMJHGLRRRCW-AWEZNQCLSA-N 2 0 266.389 0.044 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001336878381 921079200 /nfs/dbraw/zinc/07/92/00/921079200.db2.gz ZEJWWJLMQPCXEF-UONOGXRCSA-N 2 0 280.416 0.568 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC001340105016 921956387 /nfs/dbraw/zinc/95/63/87/921956387.db2.gz MKRZTHKSCXBTGL-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC001341416001 922473652 /nfs/dbraw/zinc/47/36/52/922473652.db2.gz VEWQUXGNMMQTBG-HNNXBMFYSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH2+]CC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC001341672205 922618299 /nfs/dbraw/zinc/61/82/99/922618299.db2.gz BHXVQZXTCOLOAX-UHFFFAOYSA-N 2 0 273.380 0.977 20 30 CCEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345543341 923916369 /nfs/dbraw/zinc/91/63/69/923916369.db2.gz QGGLCLMBBJMNEX-RWMBFGLXSA-N 2 0 264.373 0.466 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346430044 924208522 /nfs/dbraw/zinc/20/85/22/924208522.db2.gz GUEUZVWCHFCDKD-VXGBXAGGSA-N 2 0 252.362 0.513 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001346453403 924221001 /nfs/dbraw/zinc/22/10/01/924221001.db2.gz JERNYDQJGYWWID-CYBMUJFWSA-N 2 0 266.389 0.322 20 30 CCEDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001353289088 925785400 /nfs/dbraw/zinc/78/54/00/925785400.db2.gz WAVDZRDDYOLNBE-OLZOCXBDSA-N 2 0 251.374 0.973 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001356483645 926390313 /nfs/dbraw/zinc/39/03/13/926390313.db2.gz QIBKCVXALCFYSF-UHFFFAOYSA-N 2 0 272.352 0.389 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001357397099 926525208 /nfs/dbraw/zinc/52/52/08/926525208.db2.gz OGLHYXJTBSFYGV-UHFFFAOYSA-N 2 0 291.399 0.612 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001443738491 929687617 /nfs/dbraw/zinc/68/76/17/929687617.db2.gz BQHRQUYLUZSNLV-CQSZACIVSA-N 2 0 294.443 0.389 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000601976484 362447324 /nfs/dbraw/zinc/44/73/24/362447324.db2.gz QWTLHUSZXYMPII-NWDGAFQWSA-N 2 0 266.389 0.902 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000602592668 362697798 /nfs/dbraw/zinc/69/77/98/362697798.db2.gz JRRCGUXINCXRTN-UONOGXRCSA-N 2 0 278.400 0.950 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475285 352074596 /nfs/dbraw/zinc/07/45/96/352074596.db2.gz FTLFIQYNOSALSY-QJPTWQEYSA-N 2 0 280.372 0.057 20 30 CCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579808 352561892 /nfs/dbraw/zinc/56/18/92/352561892.db2.gz FAQUETUDEQRFAH-BFHYXJOUSA-N 2 0 263.385 0.856 20 30 CCEDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000332729562 283098441 /nfs/dbraw/zinc/09/84/41/283098441.db2.gz VDJVSIOPNKGTSQ-MGPQQGTHSA-N 2 0 278.400 0.950 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000491704085 358296712 /nfs/dbraw/zinc/29/67/12/358296712.db2.gz KCYDQSPEGYUEPS-HNNXBMFYSA-N 2 0 294.443 0.923 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594441231 360310184 /nfs/dbraw/zinc/31/01/84/360310184.db2.gz PKYSVDSPPIDWEK-OLZOCXBDSA-N 2 0 266.389 0.854 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595968303 360742569 /nfs/dbraw/zinc/74/25/69/360742569.db2.gz XJBZQVKNVJKYRB-LLVKDONJSA-N 2 0 252.362 0.785 20 30 CCEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000596653779 360936377 /nfs/dbraw/zinc/93/63/77/360936377.db2.gz LKCVTNCXFRIWFS-UWVGGRQHSA-N 2 0 261.329 0.813 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000638729114 375323931 /nfs/dbraw/zinc/32/39/31/375323931.db2.gz YEOFNYSILZVQPD-JSGCOSHPSA-N 2 0 251.374 0.895 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000329801953 389203227 /nfs/dbraw/zinc/20/32/27/389203227.db2.gz JZLXUHATRLLHLM-BNOWGMLFSA-N 2 0 296.415 0.303 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362080928 389229126 /nfs/dbraw/zinc/22/91/26/389229126.db2.gz UKQZKNANSJRRGY-OAHLLOKOSA-N 2 0 292.427 0.143 20 30 CCEDRP CNC(=[NH2+])NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264299303 389319470 /nfs/dbraw/zinc/31/94/70/389319470.db2.gz RHOBOQADOADDGS-UHFFFAOYSA-N 2 0 264.373 0.704 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc(C)cn1 ZINC000267432922 389371415 /nfs/dbraw/zinc/37/14/15/389371415.db2.gz MYIVMEFTLSFXMZ-CYBMUJFWSA-N 2 0 278.404 0.580 20 30 CCEDRP [NH2+]=C(NCCCN1CCOCC1)Nc1ccccn1 ZINC000170905037 389467566 /nfs/dbraw/zinc/46/75/66/389467566.db2.gz GKRUOKPQTLRLLL-UHFFFAOYSA-N 2 0 263.345 0.531 20 30 CCEDRP C=CCNC(=O)CN1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163322719 389426783 /nfs/dbraw/zinc/42/67/83/389426783.db2.gz HUEGXOJAFQYLTB-HNNXBMFYSA-N 2 0 294.443 0.391 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000164313891 389433497 /nfs/dbraw/zinc/43/34/97/389433497.db2.gz QVDUQKDELXNFKN-UHFFFAOYSA-N 2 0 276.388 0.439 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420299373 389980137 /nfs/dbraw/zinc/98/01/37/389980137.db2.gz AYSBTORRIJYKEF-FQUUOJAGSA-N 2 0 263.385 0.833 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000491553513 390114872 /nfs/dbraw/zinc/11/48/72/390114872.db2.gz AOBDNXYUEGXGQA-LBPRGKRZSA-N 2 0 254.378 0.191 20 30 CCEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000563955288 390495183 /nfs/dbraw/zinc/49/51/83/390495183.db2.gz WGCAJDHIWXJFCC-STQMWFEESA-N 2 0 266.389 0.854 20 30 CCEDRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000568751552 390714817 /nfs/dbraw/zinc/71/48/17/390714817.db2.gz FCBMZVMZKKTQLA-CYBMUJFWSA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@H](CCO)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)CCO ZINC000649870866 397677172 /nfs/dbraw/zinc/67/71/72/397677172.db2.gz LQQCJSGBJJLBCE-OKILXGFUSA-N 2 0 256.390 0.395 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[NH2+]CCOC)CCC[NH2+]1 ZINC000662763495 414771964 /nfs/dbraw/zinc/77/19/64/414771964.db2.gz CZANPPFSMOPZBB-CYBMUJFWSA-N 2 0 255.362 0.037 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CCC[NH2+][C@H]2C)CCC[NH2+]1 ZINC000662775480 414782415 /nfs/dbraw/zinc/78/24/15/414782415.db2.gz RKZAIRFEUYBWMK-SGMGOOAPSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662407113 414715189 /nfs/dbraw/zinc/71/51/89/414715189.db2.gz SKFSBLYEGFBBHI-TZMCWYRMSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC[NH2+]1 ZINC000662784165 414791896 /nfs/dbraw/zinc/79/18/96/414791896.db2.gz RCCMKLRVIOIYBJ-OCCSQVGLSA-N 2 0 267.373 0.179 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000662785087 414792359 /nfs/dbraw/zinc/79/23/59/414792359.db2.gz YABUIMQVWPEURD-SKDRFNHKSA-N 2 0 261.316 0.783 20 30 CCEDRP C=CC[C@]1(C(=O)NCCOCC[NH+](C)C)CCC[NH2+]1 ZINC000662796756 414803411 /nfs/dbraw/zinc/80/34/11/414803411.db2.gz QGVXGRORGYGQNO-CQSZACIVSA-N 2 0 269.389 0.379 20 30 CCEDRP C[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@@H+](C)C[C@H]1C ZINC000341883874 263362945 /nfs/dbraw/zinc/36/29/45/263362945.db2.gz PDEGPZJQKGBDHD-HZPDHXFCSA-N 2 0 278.444 0.262 20 30 CCEDRP CC[C@@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@@](O)(CC)C2)C1 ZINC000342176670 263392283 /nfs/dbraw/zinc/39/22/83/263392283.db2.gz WGRKKLUDCMCZHU-IYBDPMFKSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357082290 266244851 /nfs/dbraw/zinc/24/48/51/266244851.db2.gz HOWHHJLACQFPQG-CYBMUJFWSA-N 2 0 294.399 0.320 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)CC[NH+](C)C)CC1 ZINC000176337900 329174693 /nfs/dbraw/zinc/17/46/93/329174693.db2.gz ATPYHYDMYGSLSO-UHFFFAOYSA-N 2 0 268.405 0.840 20 30 CCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262271622 330003469 /nfs/dbraw/zinc/00/34/69/330003469.db2.gz GXTLXDQCFGCBPK-CYBMUJFWSA-N 2 0 295.431 0.068 20 30 CCEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454128 330014237 /nfs/dbraw/zinc/01/42/37/330014237.db2.gz KMNBWLQLQIGYAH-STQMWFEESA-N 2 0 268.405 0.754 20 30 CCEDRP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262753107 330029192 /nfs/dbraw/zinc/02/91/92/330029192.db2.gz AGXDSTSEVHFQOB-CQSZACIVSA-N 2 0 292.427 0.813 20 30 CCEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000262807919 330032979 /nfs/dbraw/zinc/03/29/79/330032979.db2.gz SRXDSRHSYMQVTI-STQMWFEESA-N 2 0 265.405 0.033 20 30 CCEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCN(C(C)=O)CC1 ZINC000263255664 330050985 /nfs/dbraw/zinc/05/09/85/330050985.db2.gz QNURGKMOZCILRO-CQSZACIVSA-N 2 0 295.431 0.066 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)N1CCCC1 ZINC000263275309 330051388 /nfs/dbraw/zinc/05/13/88/330051388.db2.gz YDMSVFZMCCRUDC-ZDUSSCGKSA-N 2 0 268.405 0.768 20 30 CCEDRP C=CC[C@@H](CO)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423036880 330166526 /nfs/dbraw/zinc/16/65/26/330166526.db2.gz LWVZABLRPMIEFX-OLZOCXBDSA-N 2 0 284.400 0.834 20 30 CCEDRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424070207 330220021 /nfs/dbraw/zinc/22/00/21/330220021.db2.gz ABGGGNUCMIQQMF-NWDGAFQWSA-N 2 0 254.378 0.839 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138346 330276596 /nfs/dbraw/zinc/27/65/96/330276596.db2.gz UEZOVYOZJNEXOC-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000424152646 330298260 /nfs/dbraw/zinc/29/82/60/330298260.db2.gz JSFCAYRDHAXFQM-KGLIPLIRSA-N 2 0 278.400 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000424197783 330326044 /nfs/dbraw/zinc/32/60/44/330326044.db2.gz OQVTYKBTANYDGC-NWDGAFQWSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000490853460 332120878 /nfs/dbraw/zinc/12/08/78/332120878.db2.gz RKDNPMGCMWBRRE-OKILXGFUSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000491516113 332227791 /nfs/dbraw/zinc/22/77/91/332227791.db2.gz QZRRIGDIECIETO-AWEZNQCLSA-N 2 0 280.416 0.583 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCCCC[NH+]1CCCC1 ZINC000491679886 332283594 /nfs/dbraw/zinc/28/35/94/332283594.db2.gz YDRWCOIKXJHNJY-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000491698676 332293476 /nfs/dbraw/zinc/29/34/76/332293476.db2.gz IEZIFMMQMVGIHD-GJZGRUSLSA-N 2 0 294.443 0.923 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000491727661 332310883 /nfs/dbraw/zinc/31/08/83/332310883.db2.gz GOIPABKEQGWIFP-UHFFFAOYSA-N 2 0 266.389 0.240 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000491744749 332322770 /nfs/dbraw/zinc/32/27/70/332322770.db2.gz SMPHUBFGWFSHBV-HUUCEWRRSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000491803422 332357358 /nfs/dbraw/zinc/35/73/58/332357358.db2.gz JDWYQRHHJWJRDF-ZIAGYGMSSA-N 2 0 280.416 0.568 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310842080 333061760 /nfs/dbraw/zinc/06/17/60/333061760.db2.gz KVADYVKDXBRKLV-UPJWGTAASA-N 2 0 251.374 0.609 20 30 CCEDRP C=CCCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000580545131 335271943 /nfs/dbraw/zinc/27/19/43/335271943.db2.gz BJZMVVGZHDOHIU-CQSZACIVSA-N 2 0 255.406 0.541 20 30 CCEDRP C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C(C)(C)C[NH+](C)C ZINC000577171836 335314437 /nfs/dbraw/zinc/31/44/37/335314437.db2.gz DDVURHAYHILEHP-KGLIPLIRSA-N 2 0 284.448 0.759 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578979416 335694930 /nfs/dbraw/zinc/69/49/30/335694930.db2.gz FSLGWSCOIBETNQ-GXTWGEPZSA-N 2 0 264.373 0.610 20 30 CCEDRP C=C[C@@H](O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000667812141 545156632 /nfs/dbraw/zinc/15/66/32/545156632.db2.gz FFJKTYRDYJAWAL-UONOGXRCSA-N 2 0 283.416 0.408 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305816591 649880424 /nfs/dbraw/zinc/88/04/24/649880424.db2.gz MMNDHWXTZUIOCP-GFCCVEGCSA-N 2 0 267.421 0.421 20 30 CCEDRP CCOCCC[N@@H+]1CCC(N=NC(N)=[NH2+])[C@H](C)C1 ZINC000735223671 581630167 /nfs/dbraw/zinc/63/01/67/581630167.db2.gz FNWMXEAPXLVADU-SNVBAGLBSA-N 2 0 255.366 0.594 20 30 CCEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000964378645 612955839 /nfs/dbraw/zinc/95/58/39/612955839.db2.gz QDNIFPMVIJJBCK-NFOMZHRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053595 612968805 /nfs/dbraw/zinc/96/88/05/612968805.db2.gz ATOURIISTHAVNK-TZMCWYRMSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](C)CC1 ZINC000886581987 613065979 /nfs/dbraw/zinc/06/59/79/613065979.db2.gz APQOPMQVTIUIFA-UHFFFAOYSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000891921366 613073680 /nfs/dbraw/zinc/07/36/80/613073680.db2.gz ODSNUTZOBFBVTR-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333102 613089765 /nfs/dbraw/zinc/08/97/65/613089765.db2.gz UAVANYSFVIDPKX-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000855410124 613130322 /nfs/dbraw/zinc/13/03/22/613130322.db2.gz CNGFVPZSDIDDAE-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000923319106 613135318 /nfs/dbraw/zinc/13/53/18/613135318.db2.gz KVKLFAUBMUNXAS-HNNXBMFYSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218442 613262940 /nfs/dbraw/zinc/26/29/40/613262940.db2.gz XRPGDJWSWVEUHO-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244720 613306648 /nfs/dbraw/zinc/30/66/48/613306648.db2.gz YNVADYXVBOXRDY-XHSDSOJGSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961344896 613316329 /nfs/dbraw/zinc/31/63/29/613316329.db2.gz WENBVINMSXQISG-JJXSEGSLSA-N 2 0 287.407 0.540 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592556 613338754 /nfs/dbraw/zinc/33/87/54/613338754.db2.gz RRHPPSNJCSBWFU-UONOGXRCSA-N 2 0 293.411 0.067 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849030699 613346454 /nfs/dbraw/zinc/34/64/54/613346454.db2.gz MNKKBYOBCSZHGO-UHFFFAOYSA-N 2 0 295.431 0.669 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000908442807 613365768 /nfs/dbraw/zinc/36/57/68/613365768.db2.gz RZYZASQDODDYDP-UHFFFAOYSA-N 2 0 279.388 0.891 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254796 613365888 /nfs/dbraw/zinc/36/58/88/613365888.db2.gz ZUYZVQSOFPVVGE-CQSZACIVSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000834563867 613366033 /nfs/dbraw/zinc/36/60/33/613366033.db2.gz GYBYHDAKBMUPBX-AWEZNQCLSA-N 2 0 269.389 0.019 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755049 613366356 /nfs/dbraw/zinc/36/63/56/613366356.db2.gz CXBFLAOAWSJNDG-KBPBESRZSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000817043242 613366361 /nfs/dbraw/zinc/36/63/61/613366361.db2.gz FANBYAASDIZHOL-AWEZNQCLSA-N 2 0 251.374 0.658 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923269475 613366504 /nfs/dbraw/zinc/36/65/04/613366504.db2.gz NDQXXQCZTKPYRT-OLZOCXBDSA-N 2 0 251.374 0.799 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000876788090 613387235 /nfs/dbraw/zinc/38/72/35/613387235.db2.gz XPYYQEZQQGVLEY-GHMZBOCLSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000876788094 613387303 /nfs/dbraw/zinc/38/73/03/613387303.db2.gz XPYYQEZQQGVLEY-WDEREUQCSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOC)CC1 ZINC000876736141 613387882 /nfs/dbraw/zinc/38/78/82/613387882.db2.gz RWSUQAHUZHATRG-GFCCVEGCSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000876871209 613388245 /nfs/dbraw/zinc/38/82/45/613388245.db2.gz RNMKNVLXGHPFFS-RQJHMYQMSA-N 2 0 273.686 0.852 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876807218 613389426 /nfs/dbraw/zinc/38/94/26/613389426.db2.gz ZFEQBDGBMMTHLO-CMPLNLGQSA-N 2 0 257.765 0.668 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000876544849 613389442 /nfs/dbraw/zinc/38/94/42/613389442.db2.gz YWKDGIVEJLPFEO-LPEHRKFASA-N 2 0 261.753 0.031 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000876915972 613389789 /nfs/dbraw/zinc/38/97/89/613389789.db2.gz GIYKCBXBOZCINF-UBHAPETDSA-N 2 0 259.781 0.900 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876863472 613390322 /nfs/dbraw/zinc/39/03/22/613390322.db2.gz GILHXWISURZEQO-NKWVEPMBSA-N 2 0 255.696 0.555 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCC[NH2+]1 ZINC000877372433 613409618 /nfs/dbraw/zinc/40/96/18/613409618.db2.gz HILIBPPHNYWKFP-CFVMTHIKSA-N 2 0 263.385 0.753 20 30 CCEDRP C=C[C@](C)(O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017222 613507175 /nfs/dbraw/zinc/50/71/75/613507175.db2.gz JKKCOAHVQBQPDT-NFAWXSAZSA-N 2 0 283.416 0.121 20 30 CCEDRP C=C[C@](C)(O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019985 613509082 /nfs/dbraw/zinc/50/90/82/613509082.db2.gz YAIKKMQPHLQVGI-FMKPAKJESA-N 2 0 297.443 0.511 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374654 613547821 /nfs/dbraw/zinc/54/78/21/613547821.db2.gz NUPXANQEPBQJDW-LSDHHAIUSA-N 2 0 295.427 0.313 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958595023 613548961 /nfs/dbraw/zinc/54/89/61/613548961.db2.gz OGFCOGNIOPHWQJ-ZIAGYGMSSA-N 2 0 293.411 0.067 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962303469 613562744 /nfs/dbraw/zinc/56/27/44/613562744.db2.gz FHDBQUQENKFFOL-TTZDDIAXSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483293 613590532 /nfs/dbraw/zinc/59/05/32/613590532.db2.gz FZVHACSQBDJOMN-ZDUSSCGKSA-N 2 0 256.390 0.702 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961793238 613632875 /nfs/dbraw/zinc/63/28/75/613632875.db2.gz ZKRIKFFQUGCTMX-FOLVSLTJSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900600621 613674383 /nfs/dbraw/zinc/67/43/83/613674383.db2.gz ZKXPHWYKSNXYNX-UHFFFAOYSA-N 2 0 263.385 0.849 20 30 CCEDRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852827689 614214691 /nfs/dbraw/zinc/21/46/91/614214691.db2.gz NLAHSUDPZGVMLM-QJPTWQEYSA-N 2 0 252.362 0.225 20 30 CCEDRP CCCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[NH2+]C1 ZINC000884026725 614498777 /nfs/dbraw/zinc/49/87/77/614498777.db2.gz KJFYHUUWLSZQFZ-IOSBVQAASA-N 2 0 290.411 0.726 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194412 614663675 /nfs/dbraw/zinc/66/36/75/614663675.db2.gz GPDNOVWGFCRENH-QJPTWQEYSA-N 2 0 250.346 0.089 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852854400 615145319 /nfs/dbraw/zinc/14/53/19/615145319.db2.gz HIBLDMUKVQWRSS-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000913524734 615857803 /nfs/dbraw/zinc/85/78/03/615857803.db2.gz ZXOGMXAXRPFXGD-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000913523549 615859563 /nfs/dbraw/zinc/85/95/63/615859563.db2.gz DVQWTPPCPRQWJD-LBPRGKRZSA-N 2 0 251.374 0.540 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883332 615945607 /nfs/dbraw/zinc/94/56/07/615945607.db2.gz HZXAFZQFXKNISM-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP CN(CC1CC[NH+](C)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852894755 616168802 /nfs/dbraw/zinc/16/88/02/616168802.db2.gz UEGVWZMWQNNPAM-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C[NH+]1CCN(c2ccc(C=NNC3=[NH+]CCN3)cc2)CC1 ZINC000841659624 616247159 /nfs/dbraw/zinc/24/71/59/616247159.db2.gz BFWOZXOXNIOONE-UHFFFAOYSA-N 2 0 286.383 0.321 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000870981004 616326416 /nfs/dbraw/zinc/32/64/16/616326416.db2.gz FDOLUKZCMPRSAC-MGPQQGTHSA-N 2 0 278.400 0.950 20 30 CCEDRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876518692 617047386 /nfs/dbraw/zinc/04/73/86/617047386.db2.gz WHTVQFDUOUHQIX-ZBFHGGJFSA-N 2 0 298.390 0.955 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044025 625324786 /nfs/dbraw/zinc/32/47/86/625324786.db2.gz JWJDCFKSUUINPA-QSLWVIQJSA-N 2 0 263.385 0.417 20 30 CCEDRP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001024376953 623300142 /nfs/dbraw/zinc/30/01/42/623300142.db2.gz FXXZKQVPKNLLMH-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447606 623323825 /nfs/dbraw/zinc/32/38/25/623323825.db2.gz YNIHEJHKDYSROF-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001020463396 624485361 /nfs/dbraw/zinc/48/53/61/624485361.db2.gz APARDZVJFVWZKB-JOCQHMNTSA-N 2 0 263.385 0.731 20 30 CCEDRP CCNC(NC[C@@H](CC[NH+](C)C)OCC)=[NH+]CC ZINC000304842357 624497343 /nfs/dbraw/zinc/49/73/43/624497343.db2.gz REFGWOXWUJNHAY-GFCCVEGCSA-N 2 0 258.410 0.918 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417466 625875289 /nfs/dbraw/zinc/87/52/89/625875289.db2.gz ZECRXDSGKPCFMM-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)N1CC[NH+](C)CC1 ZINC000104182699 630847970 /nfs/dbraw/zinc/84/79/70/630847970.db2.gz WQBYMZIFZPFVNP-LBPRGKRZSA-N 2 0 267.421 0.327 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261675360 631432724 /nfs/dbraw/zinc/43/27/24/631432724.db2.gz GOBRWTUXTSJMRV-XQQFMLRXSA-N 2 0 282.432 0.917 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000841849748 631600717 /nfs/dbraw/zinc/60/07/17/631600717.db2.gz JYAQIQVQDHPMKV-HZSPNIEDSA-N 2 0 272.352 0.694 20 30 CCEDRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841850110 631603701 /nfs/dbraw/zinc/60/37/01/631603701.db2.gz XNUNUKAQMJMTTL-WGBDABJCSA-N 2 0 250.346 0.122 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C)no1 ZINC000261975412 631740294 /nfs/dbraw/zinc/74/02/94/631740294.db2.gz FTLGVCCQVBHOPQ-SNVBAGLBSA-N 2 0 266.349 0.267 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261977796 631740876 /nfs/dbraw/zinc/74/08/76/631740876.db2.gz OBPZAQIHFJWMES-WCQYABFASA-N 2 0 280.416 0.549 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCCS1)NC[C@@H]1CC[N@H+](C)C1 ZINC000261998356 631747760 /nfs/dbraw/zinc/74/77/60/631747760.db2.gz SWYUQKMWZWRDAI-NWDGAFQWSA-N 2 0 270.446 0.999 20 30 CCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000303268177 632482350 /nfs/dbraw/zinc/48/23/50/632482350.db2.gz YJYDTSSWHLPWGB-VXGBXAGGSA-N 2 0 256.394 0.800 20 30 CCEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])NC2CC2)C[C@@H](C)O1 ZINC000303255105 632483353 /nfs/dbraw/zinc/48/33/53/632483353.db2.gz FYBXVZMBXKMAPZ-GHMZBOCLSA-N 2 0 254.378 0.552 20 30 CCEDRP C[NH+]=C(NC1CCC1)NC1CC[NH+](CCOC)CC1 ZINC000262760886 632730178 /nfs/dbraw/zinc/73/01/78/632730178.db2.gz DDFBWYGPANLTJM-UHFFFAOYSA-N 2 0 268.405 0.815 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC000987282935 632855848 /nfs/dbraw/zinc/85/58/48/632855848.db2.gz YWWYOVBRZXQSKR-HIFRSBDPSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989605265 633335364 /nfs/dbraw/zinc/33/53/64/633335364.db2.gz JWAJILYRKFCISV-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661314 633340173 /nfs/dbraw/zinc/34/01/73/633340173.db2.gz FYUPDBIOUZSTRL-AWEZNQCLSA-N 2 0 263.385 0.496 20 30 CCEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)CCO3)CCC[C@@H]12 ZINC000990120917 633448602 /nfs/dbraw/zinc/44/86/02/633448602.db2.gz KXOTZLFQKCSEON-SQWLQELKSA-N 2 0 293.411 0.616 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008539630 650119146 /nfs/dbraw/zinc/11/91/46/650119146.db2.gz LREHTCGUTKXHBA-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009507357 650145630 /nfs/dbraw/zinc/14/56/30/650145630.db2.gz GYXBRKPUFNOEQJ-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010382615 650213057 /nfs/dbraw/zinc/21/30/57/650213057.db2.gz LJMFSRSUBNQDRE-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001014925136 637087982 /nfs/dbraw/zinc/08/79/82/637087982.db2.gz OPYACUVLOWYOKW-RBSFLKMASA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821501 638802240 /nfs/dbraw/zinc/80/22/40/638802240.db2.gz IMJNZCSZPRDOBU-CABCVRRESA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616472 638824421 /nfs/dbraw/zinc/82/44/21/638824421.db2.gz SGVDCRZCJASGRC-QWHCGFSZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CC)C2)CC1 ZINC000999876130 639013646 /nfs/dbraw/zinc/01/36/46/639013646.db2.gz GTASKMXMXMFJBX-UHFFFAOYSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002118816 639369005 /nfs/dbraw/zinc/36/90/05/639369005.db2.gz VAZPWJFRNPAAHL-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003629466 639580947 /nfs/dbraw/zinc/58/09/47/639580947.db2.gz BFAHGWNJKKBUJF-JSGCOSHPSA-N 2 0 263.385 0.398 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000923412404 640128468 /nfs/dbraw/zinc/12/84/68/640128468.db2.gz VSZBSWYLJMTBEF-VHDGCEQUSA-N 2 0 289.379 0.825 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015652667 650601323 /nfs/dbraw/zinc/60/13/23/650601323.db2.gz HCMREKBVIRNHBO-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015997408 650672410 /nfs/dbraw/zinc/67/24/10/650672410.db2.gz BXFSJSFOFSDOQG-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016263288 650707992 /nfs/dbraw/zinc/70/79/92/650707992.db2.gz XIYUZHSUQNNEIG-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000834484948 642575881 /nfs/dbraw/zinc/57/58/81/642575881.db2.gz PTMKJTHGTFAUFZ-STQMWFEESA-N 2 0 256.309 0.131 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000834484652 642576872 /nfs/dbraw/zinc/57/68/72/642576872.db2.gz LINMPOAYFXRNAM-XQHKEYJVSA-N 2 0 264.373 0.512 20 30 CCEDRP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCCCCC1 ZINC000834490105 642579022 /nfs/dbraw/zinc/57/90/22/642579022.db2.gz RXLCHLYTTCMNKB-AGIUHOORSA-N 2 0 264.373 0.479 20 30 CCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194196 643177216 /nfs/dbraw/zinc/17/72/16/643177216.db2.gz BEUHNAUCRYXFRU-WHOHXGKFSA-N 2 0 250.346 0.087 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848424633 643635481 /nfs/dbraw/zinc/63/54/81/643635481.db2.gz QXPFFCSJIAZEHM-DZGCQCFKSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000848460668 643642975 /nfs/dbraw/zinc/64/29/75/643642975.db2.gz MPZMOUFOOYNLKH-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCCO[C@H](C)C2)N1 ZINC000849022678 643703116 /nfs/dbraw/zinc/70/31/16/643703116.db2.gz QVIDNGJFGUVCAY-VXGBXAGGSA-N 2 0 254.378 0.425 20 30 CCEDRP C[C@H]1CCC[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858695 644027453 /nfs/dbraw/zinc/02/74/53/644027453.db2.gz GFLHISRMNUWTSN-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP [NH3+]CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C(F)F ZINC000852882107 644040490 /nfs/dbraw/zinc/04/04/90/644040490.db2.gz YEKCRBVQTRHEHW-SNVBAGLBSA-N 2 0 259.300 0.088 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852891844 644045230 /nfs/dbraw/zinc/04/52/30/644045230.db2.gz ZIFZVESWILDXJP-CVEARBPZSA-N 2 0 289.423 0.980 20 30 CCEDRP [NH3+]CC12CCC(CC1)CN2C(=O)C#CC1CC[NH2+]CC1 ZINC000852895142 644047913 /nfs/dbraw/zinc/04/79/13/644047913.db2.gz YGIUROVCJQEZFH-UHFFFAOYSA-N 2 0 275.396 0.719 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001019558740 650987989 /nfs/dbraw/zinc/98/79/89/650987989.db2.gz JPDQIWXVBBSTGZ-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP Cc1ccnc(N)c1C=[NH+]NCCCN1CCOCC1 ZINC000872371502 646251739 /nfs/dbraw/zinc/25/17/39/646251739.db2.gz NJMSHGXOKUVJPC-UHFFFAOYSA-N 2 0 277.372 0.618 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+](C)C ZINC000876735517 646653300 /nfs/dbraw/zinc/65/33/00/646653300.db2.gz PAXYNBCPPFOWKX-IAQYHMDHSA-N 2 0 286.379 0.811 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877273035 646775849 /nfs/dbraw/zinc/77/58/49/646775849.db2.gz BTEMAKHFFHSYLT-KGLIPLIRSA-N 2 0 261.369 0.342 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386166 646807525 /nfs/dbraw/zinc/80/75/25/646807525.db2.gz GPIHPEBXGMODJP-ZFWWWQNUSA-N 2 0 261.369 0.390 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]([NH3+])c1ccccc1)C2 ZINC000884026511 647615742 /nfs/dbraw/zinc/61/57/42/647615742.db2.gz GCYWJVPQOGNSSG-DGNOSDGRSA-N 2 0 298.390 0.942 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCCCC1 ZINC000104176351 648204851 /nfs/dbraw/zinc/20/48/51/648204851.db2.gz TWOWSSOFZIORTE-CYBMUJFWSA-N 2 0 268.405 0.755 20 30 CCEDRP N#CC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418223 648735713 /nfs/dbraw/zinc/73/57/13/648735713.db2.gz BCTJXYVNFCAIIF-OAHLLOKOSA-N 2 0 281.400 0.695 20 30 CCEDRP CSC1(CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000193300216 649533399 /nfs/dbraw/zinc/53/33/99/649533399.db2.gz XREFQVSHGYZMMB-UHFFFAOYSA-N 2 0 286.445 0.509 20 30 CCEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])NC2CC2)C[C@H](C)O1 ZINC000303255107 649813255 /nfs/dbraw/zinc/81/32/55/649813255.db2.gz FYBXVZMBXKMAPZ-QWRGUYRKSA-N 2 0 254.378 0.552 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303722459 649824508 /nfs/dbraw/zinc/82/45/08/649824508.db2.gz YFGRALZJRVJNPZ-GFCCVEGCSA-N 2 0 256.394 0.802 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303776136 649824605 /nfs/dbraw/zinc/82/46/05/649824605.db2.gz HNKLHSHEXOBKHE-BETUJISGSA-N 2 0 268.405 0.966 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303878992 649826168 /nfs/dbraw/zinc/82/61/68/649826168.db2.gz GIKUJFQGIJMYLX-LBPRGKRZSA-N 2 0 269.437 0.715 20 30 CCEDRP CC[C@@H](CNC(=[NH2+])N[C@H](C)COC)[NH+]1CCCC1 ZINC000303897250 649826574 /nfs/dbraw/zinc/82/65/74/649826574.db2.gz QJRIJCAXGXOKFN-NEPJUHHUSA-N 2 0 256.394 0.800 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+](C)C1CC1 ZINC000303979482 649827620 /nfs/dbraw/zinc/82/76/20/649827620.db2.gz NGSIDLFFJVKVTF-GXTWGEPZSA-N 3 0 281.448 0.858 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230373829 805598304 /nfs/dbraw/zinc/59/83/04/805598304.db2.gz BPLHQBXPYSCPSF-UHFFFAOYSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001266412001 790656971 /nfs/dbraw/zinc/65/69/71/790656971.db2.gz JZAVNPSDYBQPNZ-HNNXBMFYSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266549680 790912572 /nfs/dbraw/zinc/91/25/72/790912572.db2.gz BIYVZMMZCXYLHW-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001277476140 805702476 /nfs/dbraw/zinc/70/24/76/805702476.db2.gz ODVLOKHMZLMQMO-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985089 807106402 /nfs/dbraw/zinc/10/64/02/807106402.db2.gz KWIHUIGRUJXIOL-KBPBESRZSA-N 2 0 283.416 0.014 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001267117726 791559526 /nfs/dbraw/zinc/55/95/26/791559526.db2.gz VWWVRCSCVWYUGP-UHFFFAOYSA-N 2 0 295.427 0.560 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152601 791597145 /nfs/dbraw/zinc/59/71/45/791597145.db2.gz PLRXSSNCNDRVPU-CYBMUJFWSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627280 791654568 /nfs/dbraw/zinc/65/45/68/791654568.db2.gz NQNQISAFIRTOIR-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001277863695 806267252 /nfs/dbraw/zinc/26/72/52/806267252.db2.gz QZYRJSPSCWTZIC-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277937808 806408999 /nfs/dbraw/zinc/40/89/99/806408999.db2.gz JAJBVPRDIPNEGB-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001277980435 806556388 /nfs/dbraw/zinc/55/63/88/806556388.db2.gz HVFQBHQSGBQBBQ-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001277980436 806556606 /nfs/dbraw/zinc/55/66/06/806556606.db2.gz HVFQBHQSGBQBBQ-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001277989529 806597566 /nfs/dbraw/zinc/59/75/66/806597566.db2.gz ZHHQHLIMMAJXFT-KBPBESRZSA-N 2 0 283.416 0.413 20 30 CCEDRP C=CC[NH2+]CCN1CCC2(C[NH2+]C2)[C@H](C(=O)OCC)C1 ZINC001237410244 806661103 /nfs/dbraw/zinc/66/11/03/806661103.db2.gz KNQFBMSLBKZUQC-ZDUSSCGKSA-N 2 0 281.400 0.237 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001121928370 799096800 /nfs/dbraw/zinc/09/68/00/799096800.db2.gz NXMPVWFOMTWEMK-GJZGRUSLSA-N 2 0 296.459 0.670 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001122241709 799176733 /nfs/dbraw/zinc/17/67/33/799176733.db2.gz AOTHCTCJDQFEMN-UTLUCORTSA-N 2 0 292.305 0.746 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC001141196638 799990154 /nfs/dbraw/zinc/99/01/54/799990154.db2.gz JJAFGPSHHLJNBZ-CABCVRRESA-N 2 0 275.396 0.494 20 30 CCEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242072 800325420 /nfs/dbraw/zinc/32/54/20/800325420.db2.gz UPKREZLSGFFLJE-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150481231 800337427 /nfs/dbraw/zinc/33/74/27/800337427.db2.gz WNPZCYKQGULKAI-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715824 800361792 /nfs/dbraw/zinc/36/17/92/800361792.db2.gz MQCDDEYOCRRRLS-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152480300 800528055 /nfs/dbraw/zinc/52/80/55/800528055.db2.gz PKXFQOGKZWKEQV-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005808 800891233 /nfs/dbraw/zinc/89/12/33/800891233.db2.gz SUQBYRUAMCGLEI-CQSZACIVSA-N 2 0 285.432 0.967 20 30 CCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156884298 801253365 /nfs/dbraw/zinc/25/33/65/801253365.db2.gz XRJLFGPHZZBGRW-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890283 801254712 /nfs/dbraw/zinc/25/47/12/801254712.db2.gz LCKQXSSATCKTDQ-CABCVRRESA-N 2 0 297.443 0.967 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[C@](F)(C[NH3+])C1)C[NH2+]CCC2 ZINC001157809046 801491155 /nfs/dbraw/zinc/49/11/55/801491155.db2.gz NGFCOFPLBDARHZ-HNNXBMFYSA-N 2 0 289.358 0.866 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029753 801556321 /nfs/dbraw/zinc/55/63/21/801556321.db2.gz KXBCWIONYNLHCO-ZIAGYGMSSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486810 801658669 /nfs/dbraw/zinc/65/86/69/801658669.db2.gz RUYATQJHXURCAF-CHWSQXEVSA-N 2 0 267.373 0.132 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159327473 801792888 /nfs/dbraw/zinc/79/28/88/801792888.db2.gz LPRYMKYAAQSBLN-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160890247 802043113 /nfs/dbraw/zinc/04/31/13/802043113.db2.gz ZVYYEOQWOWMGML-CYBMUJFWSA-N 2 0 271.405 0.625 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1 ZINC001161006679 802060571 /nfs/dbraw/zinc/06/05/71/802060571.db2.gz FDWNEQQJHUZWGK-OCCSQVGLSA-N 2 0 279.384 0.010 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2CC[NH2+]C3(CC3)C2)cc1 ZINC001161550577 802176836 /nfs/dbraw/zinc/17/68/36/802176836.db2.gz MNOGFNUOZCBNRG-CQSZACIVSA-N 2 0 284.363 0.913 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574292 802767945 /nfs/dbraw/zinc/76/79/45/802767945.db2.gz GEHKCNWRVRCJPL-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699320 803042772 /nfs/dbraw/zinc/04/27/72/803042772.db2.gz IEIKHCIYPAXDBF-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)nc1 ZINC001205228583 803127862 /nfs/dbraw/zinc/12/78/62/803127862.db2.gz GGXMXRSNZUBGDM-AWEZNQCLSA-N 2 0 260.341 0.629 20 30 CCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369839 803677595 /nfs/dbraw/zinc/67/75/95/803677595.db2.gz QVKOODCUBCHGHY-HUUCEWRRSA-N 2 0 295.427 0.413 20 30 CCEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276705569 803704040 /nfs/dbraw/zinc/70/40/40/803704040.db2.gz ZBAHGTXOQIGHQJ-OLZOCXBDSA-N 2 0 251.374 0.609 20 30 CCEDRP N#Cc1ccnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218503261 803970557 /nfs/dbraw/zinc/97/05/57/803970557.db2.gz DXMYMHPBYGQKSL-GFCCVEGCSA-N 2 0 259.313 0.219 20 30 CCEDRP N#Cc1cnc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001218504723 803971808 /nfs/dbraw/zinc/97/18/08/803971808.db2.gz SCORWOPGFFDKFC-LLVKDONJSA-N 2 0 286.339 0.161 20 30 CCEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])sc2c1CC[NH2+]C2 ZINC001218554743 804000936 /nfs/dbraw/zinc/00/09/36/804000936.db2.gz WOZAQSMPOUNAEX-JTQLQIEISA-N 3 0 293.396 0.270 20 30 CCEDRP Cc1cc(C#N)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001218554070 804002377 /nfs/dbraw/zinc/00/23/77/804002377.db2.gz GPDQSVZINTXYNT-JTQLQIEISA-N 2 0 276.365 0.676 20 30 CCEDRP N#Cc1nc[nH]c1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218596108 804027881 /nfs/dbraw/zinc/02/78/81/804027881.db2.gz VCCDBAZRDVMMMD-QMMMGPOBSA-N 2 0 250.306 0.066 20 30 CCEDRP N#Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1O ZINC001218954843 804168265 /nfs/dbraw/zinc/16/82/65/804168265.db2.gz UZJDJHYLGYUVSX-NSHDSACASA-N 2 0 262.313 0.659 20 30 CCEDRP N#CCc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001218988616 804176986 /nfs/dbraw/zinc/17/69/86/804176986.db2.gz YHJWUEMKIRXVSY-CZUORRHYSA-N 2 0 284.363 0.890 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001219587096 804361466 /nfs/dbraw/zinc/36/14/66/804361466.db2.gz QHORLPFRRAPCJP-STQMWFEESA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798714 804425545 /nfs/dbraw/zinc/42/55/45/804425545.db2.gz QXULYPYYQJMDTL-OLZOCXBDSA-N 2 0 281.400 0.208 20 30 CCEDRP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NCC[NH3+])C1 ZINC001219870449 804435545 /nfs/dbraw/zinc/43/55/45/804435545.db2.gz FBQYVGSRZXKQDD-RISCZKNCSA-N 2 0 272.352 0.154 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351787 804581600 /nfs/dbraw/zinc/58/16/00/804581600.db2.gz IUXDHXJPFHDRCO-ZNMIVQPWSA-N 2 0 295.427 0.598 20 30 CCEDRP C#Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001220381968 804589267 /nfs/dbraw/zinc/58/92/67/804589267.db2.gz OGDHMLXKUYZRHJ-AWEZNQCLSA-N 2 0 259.353 0.740 20 30 CCEDRP C=C[C@@H]1C[C@]1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220572958 804627346 /nfs/dbraw/zinc/62/73/46/804627346.db2.gz CWTUERJBHVFEKH-TYNCELHUSA-N 2 0 297.399 0.457 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976436 804712635 /nfs/dbraw/zinc/71/26/35/804712635.db2.gz ZGVVSYQLJRFDKT-MJBXVCDLSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093438 804729752 /nfs/dbraw/zinc/72/97/52/804729752.db2.gz NAJTZVADJWFSBY-KFWWJZLASA-N 2 0 297.443 0.843 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001276821948 804797701 /nfs/dbraw/zinc/79/77/01/804797701.db2.gz VSMFNDPTMAMDEX-ZIAGYGMSSA-N 2 0 283.416 0.718 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC[NH2+]1 ZINC001221399775 804803307 /nfs/dbraw/zinc/80/33/07/804803307.db2.gz UEOLPQQFYPBSAZ-FUHWJXTLSA-N 2 0 297.402 0.963 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791505 804845807 /nfs/dbraw/zinc/84/58/07/804845807.db2.gz OYQDOQVCOGGAGO-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001276946660 805008575 /nfs/dbraw/zinc/00/85/75/805008575.db2.gz ARTUTLHINSZKSH-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H]1CCN1CC#CCOC)[NH+](C)C ZINC001276957206 805014930 /nfs/dbraw/zinc/01/49/30/805014930.db2.gz QUVWERMZRVXZLU-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])NC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC001245999689 807111579 /nfs/dbraw/zinc/11/15/79/807111579.db2.gz JMAXKFIPIAQRBT-OAHLLOKOSA-N 2 0 291.351 0.293 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020419 807121116 /nfs/dbraw/zinc/12/11/16/807121116.db2.gz LBCKIMOGVSLWBG-STQMWFEESA-N 2 0 258.337 0.150 20 30 CCEDRP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC001246309925 807218308 /nfs/dbraw/zinc/21/83/08/807218308.db2.gz BVUUSFSXWVLATQ-ZYHUDNBSSA-N 2 0 295.408 0.936 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278499712 807507462 /nfs/dbraw/zinc/50/74/62/807507462.db2.gz WWHGOKDWESXINH-WBVHZDCISA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278572270 807601289 /nfs/dbraw/zinc/60/12/89/807601289.db2.gz MNQITFSUQXTHMG-MRXNPFEDSA-N 2 0 289.423 0.934 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001251708288 807696927 /nfs/dbraw/zinc/69/69/27/807696927.db2.gz POSUVEMAGRIOEP-UHFFFAOYSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001251854587 807721659 /nfs/dbraw/zinc/72/16/59/807721659.db2.gz HNXMDZDCEPAWCU-UONOGXRCSA-N 2 0 252.358 0.025 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001251857793 807724692 /nfs/dbraw/zinc/72/46/92/807724692.db2.gz KHXKOYMLPJXOIB-HNNXBMFYSA-N 2 0 289.379 0.523 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001251884955 807734093 /nfs/dbraw/zinc/73/40/93/807734093.db2.gz KTGNLJMYTWMHDH-CQSZACIVSA-N 2 0 254.374 0.319 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083473290 815143926 /nfs/dbraw/zinc/14/39/26/815143926.db2.gz SWAFVCUAOCSKKN-SYQHCUMBSA-N 2 0 281.400 0.064 20 30 CCEDRP CC(C)(C)[NH2+]C[C@@H](O)CNCc1ccc(C#N)nc1 ZINC001253410862 808063796 /nfs/dbraw/zinc/06/37/96/808063796.db2.gz UPHLHBOMCUUMPJ-ZDUSSCGKSA-N 2 0 262.357 0.792 20 30 CCEDRP C=C[C@@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001253588158 808093133 /nfs/dbraw/zinc/09/31/33/808093133.db2.gz SZODPZPFQAEFFI-OAHLLOKOSA-N 2 0 267.417 0.493 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCN(C)CC1 ZINC001261458526 808983953 /nfs/dbraw/zinc/98/39/53/808983953.db2.gz BRDHCTTWKXCYSV-UONOGXRCSA-N 2 0 295.431 0.007 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC001263108024 809448739 /nfs/dbraw/zinc/44/87/39/809448739.db2.gz METWPKAVLVLYLJ-UHFFFAOYSA-N 2 0 291.370 0.939 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457582 815298767 /nfs/dbraw/zinc/29/87/67/815298767.db2.gz JIOXDDJVMDGNHB-SOUVJXGZSA-N 2 0 275.396 0.494 20 30 CCEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001263812180 809574814 /nfs/dbraw/zinc/57/48/14/809574814.db2.gz IOKYGWXMELIXLK-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1OCC ZINC001264539082 809662433 /nfs/dbraw/zinc/66/24/33/809662433.db2.gz VJRITIXXANBSQR-HUUCEWRRSA-N 2 0 295.427 0.413 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001265378263 809767688 /nfs/dbraw/zinc/76/76/88/809767688.db2.gz IWWNKCUSXSZTHF-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265820872 809864234 /nfs/dbraw/zinc/86/42/34/809864234.db2.gz JWVCJBAJZUBVEH-CHWSQXEVSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266156130 809950710 /nfs/dbraw/zinc/95/07/10/809950710.db2.gz VTNLAHNQCNUXNI-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621771 811535233 /nfs/dbraw/zinc/53/52/33/811535233.db2.gz KYAPRTGPAPESTF-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267817958 811812867 /nfs/dbraw/zinc/81/28/67/811812867.db2.gz VTWRCVBQVISBRK-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267948849 811883518 /nfs/dbraw/zinc/88/35/18/811883518.db2.gz WLILSTAOUOSXQI-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCN(C)CCC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000385677145 812224282 /nfs/dbraw/zinc/22/42/82/812224282.db2.gz CCWJWYVBJYTZNI-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001268226297 812383591 /nfs/dbraw/zinc/38/35/91/812383591.db2.gz GVXGAGHVKLRROB-CABCVRRESA-N 2 0 295.427 0.318 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268303647 812467334 /nfs/dbraw/zinc/46/73/34/812467334.db2.gz BQXGBTFIKHYRDE-CHWSQXEVSA-N 2 0 269.389 0.112 20 30 CCEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028312034 812610998 /nfs/dbraw/zinc/61/09/98/812610998.db2.gz AQLLWOYAZGZAHP-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001028600678 812955436 /nfs/dbraw/zinc/95/54/36/812955436.db2.gz BOAMICWWAXXXGN-CABCVRRESA-N 2 0 295.402 0.882 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268752427 813062617 /nfs/dbraw/zinc/06/26/17/813062617.db2.gz NNBYHXFPMPJRFS-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1cncn1C ZINC001268755276 813066574 /nfs/dbraw/zinc/06/65/74/813066574.db2.gz VENWDMYFKLRFNT-CYBMUJFWSA-N 2 0 276.384 0.813 20 30 CCEDRP COCC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269142907 813238417 /nfs/dbraw/zinc/23/84/17/813238417.db2.gz OSBGLYRGGLBVFP-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268542 813299034 /nfs/dbraw/zinc/29/90/34/813299034.db2.gz NCTRBBMMCCZSAZ-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001269544342 813410267 /nfs/dbraw/zinc/41/02/67/813410267.db2.gz CBNGJEFVUQPYTN-UHFFFAOYSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001269588714 813435200 /nfs/dbraw/zinc/43/52/00/813435200.db2.gz UIGYFGOLKKRLTN-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028986935 813726791 /nfs/dbraw/zinc/72/67/91/813726791.db2.gz VBXZQRRPZQVZDS-CHWSQXEVSA-N 2 0 251.374 0.562 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992172 814305713 /nfs/dbraw/zinc/30/57/13/814305713.db2.gz HKKQIICNIRVJNU-CABCVRRESA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106040 814410642 /nfs/dbraw/zinc/41/06/42/814410642.db2.gz LGCCEXDJYJSPOV-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271522879 814469906 /nfs/dbraw/zinc/46/99/06/814469906.db2.gz YFUSLOJKHSOBOO-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271548035 814473807 /nfs/dbraw/zinc/47/38/07/814473807.db2.gz AQNPSHFIGFMDKK-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001271816141 814591891 /nfs/dbraw/zinc/59/18/91/814591891.db2.gz WFQLCMYETDHUIH-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP N#Cc1ccc(-c2noc(CC3([NH3+])CC[NH2+]CC3)n2)nc1 ZINC001212170580 815915260 /nfs/dbraw/zinc/91/52/60/815915260.db2.gz GGBHSOHFFVVITE-UHFFFAOYSA-N 2 0 284.323 0.627 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038832 816220957 /nfs/dbraw/zinc/22/09/57/816220957.db2.gz MQUTTYBFQNBCLQ-RDBSUJKOSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299437 816285961 /nfs/dbraw/zinc/28/59/61/816285961.db2.gz BFFSWAWONBVLSN-HUUCEWRRSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668947 817233866 /nfs/dbraw/zinc/23/38/66/817233866.db2.gz TXDVOISZLWXPCW-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780913 817630640 /nfs/dbraw/zinc/63/06/40/817630640.db2.gz OVHFAVLYIHRBKR-ZNMIVQPWSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCN1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128834 817656731 /nfs/dbraw/zinc/65/67/31/817656731.db2.gz LGFHPTXPRVOOJD-LSDHHAIUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082580 818499413 /nfs/dbraw/zinc/49/94/13/818499413.db2.gz SAZKBDDUPRCOPH-GJZGRUSLSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCc3nccn32)C1 ZINC001033151110 818576204 /nfs/dbraw/zinc/57/62/04/818576204.db2.gz IFFNFSYJXDNBQI-ZIAGYGMSSA-N 2 0 286.379 0.926 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533203 818611178 /nfs/dbraw/zinc/61/11/78/818611178.db2.gz JDSWLTDUHIOLFY-CYBMUJFWSA-N 2 0 289.395 0.575 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033704735 818892688 /nfs/dbraw/zinc/89/26/88/818892688.db2.gz ZIROTVWTMUXUHC-CYBMUJFWSA-N 2 0 262.357 0.992 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001034611169 819260588 /nfs/dbraw/zinc/26/05/88/819260588.db2.gz IMRWULBNIMVKIW-MGPQQGTHSA-N 2 0 263.385 0.731 20 30 CCEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001034614433 819260638 /nfs/dbraw/zinc/26/06/38/819260638.db2.gz PTOOQUORLMLVTG-IHRRRGAJSA-N 2 0 281.400 0.520 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001034616909 819262726 /nfs/dbraw/zinc/26/27/26/819262726.db2.gz FSLHGSNVMVPEHI-RBSFLKMASA-N 2 0 295.427 0.910 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035797338 819626000 /nfs/dbraw/zinc/62/60/00/819626000.db2.gz XXSOGHBADDCYQA-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C[C@H]1C ZINC001036254816 819716232 /nfs/dbraw/zinc/71/62/32/819716232.db2.gz VWVFIURJBZENGP-TZMCWYRMSA-N 2 0 274.368 0.422 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036296458 819722083 /nfs/dbraw/zinc/72/20/83/819722083.db2.gz JCIDUPYZSKMMTR-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000710832981 819847424 /nfs/dbraw/zinc/84/74/24/819847424.db2.gz JXISIWLVPVZYSB-UHFFFAOYSA-N 2 0 270.377 0.449 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130187069 837717957 /nfs/dbraw/zinc/71/79/57/837717957.db2.gz OECRUOLAAAXXAA-LSDHHAIUSA-N 2 0 293.411 0.359 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361496 844098169 /nfs/dbraw/zinc/09/81/69/844098169.db2.gz IXPSDRDKCWNKEZ-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C=CCOCCN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001112865141 836945045 /nfs/dbraw/zinc/94/50/45/836945045.db2.gz WAAKQBFBLFNQDR-HUUCEWRRSA-N 2 0 295.427 0.673 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131791029 838219552 /nfs/dbraw/zinc/21/95/52/838219552.db2.gz ZGTGHSBKISUXBC-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP CC[C@@H](C(=O)NCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001133684148 838693792 /nfs/dbraw/zinc/69/37/92/838693792.db2.gz DPSMVAIIGBBNBG-AWEZNQCLSA-N 2 0 283.416 0.462 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856753 838750951 /nfs/dbraw/zinc/75/09/51/838750951.db2.gz PPKFCUNLSDLEJX-OAHLLOKOSA-N 2 0 283.391 0.928 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856752 838751598 /nfs/dbraw/zinc/75/15/98/838751598.db2.gz PPKFCUNLSDLEJX-HNNXBMFYSA-N 2 0 283.391 0.928 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122185 844653615 /nfs/dbraw/zinc/65/36/15/844653615.db2.gz QDDXVEBCBHDAGG-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608118 839024743 /nfs/dbraw/zinc/02/47/43/839024743.db2.gz QXIPEZNFXGRITM-STQMWFEESA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135309294 839202554 /nfs/dbraw/zinc/20/25/54/839202554.db2.gz VASNQZGKPGQYMQ-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373732 839230705 /nfs/dbraw/zinc/23/07/05/839230705.db2.gz YIFYEBVCKJWKFT-KBPBESRZSA-N 2 0 283.416 0.461 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135377966 839233557 /nfs/dbraw/zinc/23/35/57/839233557.db2.gz FVRXGFUFBCJFHO-STQMWFEESA-N 2 0 298.431 0.113 20 30 CCEDRP CCOC(=O)c1cc(C#N)c(C)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170895689 839540945 /nfs/dbraw/zinc/54/09/45/839540945.db2.gz XIDBQQJKQPXBFI-LBPRGKRZSA-N 2 0 291.355 0.874 20 30 CCEDRP COC(OC)c1c(/C=N/O)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170897055 839542829 /nfs/dbraw/zinc/54/28/29/839542829.db2.gz KSZMDZUOVFMJFO-UWOUAGFBSA-N 2 0 297.359 0.617 20 30 CCEDRP N#Cc1ccc2ncc(N[C@H]([NH3+])CCC[NH3+])nc2c1 ZINC001170899278 839545674 /nfs/dbraw/zinc/54/56/74/839545674.db2.gz YYZJQSRYBKTIKB-LBPRGKRZSA-N 2 0 256.313 0.937 20 30 CCEDRP COC(=O)c1cc(C#N)ccc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900540 839550556 /nfs/dbraw/zinc/55/05/56/839550556.db2.gz VQJGIBQAHRRSDV-LBPRGKRZSA-N 2 0 262.313 0.780 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246023862 839584478 /nfs/dbraw/zinc/58/44/78/839584478.db2.gz SKGAVPYRCOBZSN-UONOGXRCSA-N 2 0 254.374 0.448 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)[C@H](O)C1 ZINC001090808319 839827772 /nfs/dbraw/zinc/82/77/72/839827772.db2.gz JARAUKKMELDILS-ZIAGYGMSSA-N 2 0 292.383 0.319 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338711 840286692 /nfs/dbraw/zinc/28/66/92/840286692.db2.gz HGLKGMDHCXPGOP-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341135 840289637 /nfs/dbraw/zinc/28/96/37/840289637.db2.gz WJCMXWCLNAPZKK-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780695 840967339 /nfs/dbraw/zinc/96/73/39/840967339.db2.gz WONGPFMQCPWVGH-FMKPAKJESA-N 2 0 277.412 0.740 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611229 841048797 /nfs/dbraw/zinc/04/87/97/841048797.db2.gz NUJZRSNXHRNLRO-BMFZPTHFSA-N 2 0 289.423 0.646 20 30 CCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725535 841752688 /nfs/dbraw/zinc/75/26/88/841752688.db2.gz OKLTWAKSKAINMS-UHFFFAOYSA-N 2 0 298.431 0.116 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986425 842476091 /nfs/dbraw/zinc/47/60/91/842476091.db2.gz NXFLXZSBWPCROU-CYBMUJFWSA-N 2 0 298.431 0.113 20 30 CCEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001187983016 844812426 /nfs/dbraw/zinc/81/24/26/844812426.db2.gz WHEOAJNJEGEXJE-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP COc1cc(C#N)ccc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001192268426 845810840 /nfs/dbraw/zinc/81/08/40/845810840.db2.gz KXCHARMVTFNKGR-UHFFFAOYSA-N 2 0 289.339 0.641 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(C#N)o1 ZINC001192691321 845893900 /nfs/dbraw/zinc/89/39/00/845893900.db2.gz MOKQLFXAIBGVSS-UHFFFAOYSA-N 2 0 277.328 0.829 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193460368 846080108 /nfs/dbraw/zinc/08/01/08/846080108.db2.gz BHIXZFPVBUMEMJ-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039219 846202019 /nfs/dbraw/zinc/20/20/19/846202019.db2.gz LSZZPPMAOCAHBH-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155504 846225280 /nfs/dbraw/zinc/22/52/80/846225280.db2.gz UJQRNASTTKKFRB-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700342 846604612 /nfs/dbraw/zinc/60/46/12/846604612.db2.gz ARQZSSITEOUXIQ-RRFJBIMHSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980700 846656676 /nfs/dbraw/zinc/65/66/76/846656676.db2.gz CORCMIAOWBIDOL-RBSFLKMASA-N 2 0 297.443 0.700 20 30 CCEDRP CC#CCN1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197691793 846947967 /nfs/dbraw/zinc/94/79/67/846947967.db2.gz NWBKLBZSLGTFLW-UHFFFAOYSA-N 2 0 265.401 0.886 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251894445 847410551 /nfs/dbraw/zinc/41/05/51/847410551.db2.gz UDRIJYFGWWKBNP-XQLPTFJDSA-N 2 0 266.385 0.602 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788607 847432937 /nfs/dbraw/zinc/43/29/37/847432937.db2.gz TULVGKWGCRUIMS-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](C)O)CC1 ZINC001251962550 847472985 /nfs/dbraw/zinc/47/29/85/847472985.db2.gz KDDVLVRVVMFCQM-HNNXBMFYSA-N 2 0 267.417 0.659 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122703 847555638 /nfs/dbraw/zinc/55/56/38/847555638.db2.gz HXGGUJRAQQRMCC-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200689066 847679863 /nfs/dbraw/zinc/67/98/63/847679863.db2.gz ZTPFUXHYLLTZSC-CABCVRRESA-N 2 0 293.411 0.167 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056638 847851267 /nfs/dbraw/zinc/85/12/67/847851267.db2.gz AKIPUSSMNDRINB-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114484376 848082261 /nfs/dbraw/zinc/08/22/61/848082261.db2.gz XOYVEYILFNZLGC-WDNDVIMCSA-N 2 0 277.412 0.786 20 30 CCEDRP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001275976821 848879182 /nfs/dbraw/zinc/87/91/82/848879182.db2.gz JHUQMFLBWJBGIN-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750231 849386220 /nfs/dbraw/zinc/38/62/20/849386220.db2.gz DBIABFGCQIBESX-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114855083 849440741 /nfs/dbraw/zinc/44/07/41/849440741.db2.gz UQEUXXOCNLGOCH-RFQIPJPRSA-N 2 0 265.401 0.949 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632462 850479146 /nfs/dbraw/zinc/47/91/46/850479146.db2.gz INGSQBZLCOGWGT-QGZVFWFLSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048587668 851976076 /nfs/dbraw/zinc/97/60/76/851976076.db2.gz QQGONIKMSSMNAQ-LVQVYYBASA-N 2 0 289.423 0.931 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863576 852088076 /nfs/dbraw/zinc/08/80/76/852088076.db2.gz HNLXJFGGPMTQKI-QLFBSQMISA-N 2 0 277.412 0.903 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048939954 852115464 /nfs/dbraw/zinc/11/54/64/852115464.db2.gz ZOFYYZQBFDLGSR-GASCZTMLSA-N 2 0 286.379 0.605 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049234024 852200229 /nfs/dbraw/zinc/20/02/29/852200229.db2.gz WBNYWSFWJUISNS-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713208 852645201 /nfs/dbraw/zinc/64/52/01/852645201.db2.gz SXBFBDCFJHEGTR-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052933696 852674125 /nfs/dbraw/zinc/67/41/25/852674125.db2.gz CVHHWWJIGVBYCZ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001074878082 854794288 /nfs/dbraw/zinc/79/42/88/854794288.db2.gz ZAPDFUBNZQJGFD-RDBSUJKOSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001074878081 854794785 /nfs/dbraw/zinc/79/47/85/854794785.db2.gz ZAPDFUBNZQJGFD-IHRRRGAJSA-N 2 0 263.385 0.683 20 30 CCEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098398844 854863758 /nfs/dbraw/zinc/86/37/58/854863758.db2.gz NLFYSDRKCSUXFG-DGAVXFQQSA-N 2 0 263.385 0.846 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986081 855061150 /nfs/dbraw/zinc/06/11/50/855061150.db2.gz HUFGHTGBSZRANY-QWHCGFSZSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076765 855094539 /nfs/dbraw/zinc/09/45/39/855094539.db2.gz QWLRWLDZEAYYIM-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083343 855096836 /nfs/dbraw/zinc/09/68/36/855096836.db2.gz QKSSXFLEBUATNL-STQMWFEESA-N 2 0 269.389 0.066 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100340393 855151399 /nfs/dbraw/zinc/15/13/99/855151399.db2.gz IWOMDJNFBWTPQB-BCLQGDPASA-N 2 0 289.423 0.836 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115156082 855648223 /nfs/dbraw/zinc/64/82/23/855648223.db2.gz IGCFCPAMBUBFDV-FOLVSLTJSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCN1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001323356786 912289868 /nfs/dbraw/zinc/28/98/68/912289868.db2.gz KKRINLZBMZCZSO-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324648599 912959333 /nfs/dbraw/zinc/95/93/33/912959333.db2.gz WAASZVRDZNWNRY-DZGCQCFKSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001325102117 913214117 /nfs/dbraw/zinc/21/41/17/913214117.db2.gz LGJRKNPXRKLUCW-OAHLLOKOSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001481096986 892162491 /nfs/dbraw/zinc/16/24/91/892162491.db2.gz WPYWSFFWZYPIAQ-ZIAGYGMSSA-N 2 0 283.391 0.738 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481231378 892401592 /nfs/dbraw/zinc/40/15/92/892401592.db2.gz XTSJIHCOSYMTRB-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP C[NH+](C)CCn1ccc(NC(=O)[C@H]([NH3+])CCCC#N)n1 ZINC001326063609 913726677 /nfs/dbraw/zinc/72/66/77/913726677.db2.gz QBAVOFYXTIQXKR-LLVKDONJSA-N 2 0 278.360 0.404 20 30 CCEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001481749976 893113399 /nfs/dbraw/zinc/11/33/99/893113399.db2.gz YIZPPGWZAQQESF-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482518348 894176770 /nfs/dbraw/zinc/17/67/70/894176770.db2.gz OWPGNAUYWVTLCO-CABCVRRESA-N 2 0 295.427 0.461 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001326301211 913874588 /nfs/dbraw/zinc/87/45/88/913874588.db2.gz ATRHHWVVBZZSQB-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950453 894727943 /nfs/dbraw/zinc/72/79/43/894727943.db2.gz RUROPWSYPXATAU-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483008773 894799263 /nfs/dbraw/zinc/79/92/63/894799263.db2.gz MZDNDNHDLCQESP-RGDDUWESSA-N 2 0 275.396 0.614 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082252 895681954 /nfs/dbraw/zinc/68/19/54/895681954.db2.gz NFZXVEQPYCCLEI-ZDUSSCGKSA-N 2 0 251.374 0.588 20 30 CCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484081822 896183860 /nfs/dbraw/zinc/18/38/60/896183860.db2.gz BNHMRYJROGPLDL-ZBFHGGJFSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]C(C)C)CC1 ZINC001484501473 896447464 /nfs/dbraw/zinc/44/74/64/896447464.db2.gz XHJRVPRYOWWFPD-UHFFFAOYSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001484573667 896472984 /nfs/dbraw/zinc/47/29/84/896472984.db2.gz VHRRCCCTGHUSKL-KKUMJFAQSA-N 2 0 277.412 0.836 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@H]1C[NH3+] ZINC001523030441 896724552 /nfs/dbraw/zinc/72/45/52/896724552.db2.gz VXGNRGHGCMGURH-FRRDWIJNSA-N 2 0 266.389 0.841 20 30 CCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485363313 896989672 /nfs/dbraw/zinc/98/96/72/896989672.db2.gz XWRVQDZCXRBLIX-ZDUSSCGKSA-N 2 0 291.399 0.128 20 30 CCEDRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001326828075 914213730 /nfs/dbraw/zinc/21/37/30/914213730.db2.gz HWUXPRBZVUYUIK-GRYCIOLGSA-N 2 0 252.362 0.736 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485956614 898519435 /nfs/dbraw/zinc/51/94/35/898519435.db2.gz YQNZXJOSPKELKL-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485943722 898531482 /nfs/dbraw/zinc/53/14/82/898531482.db2.gz CSUSNYRIVXLLGQ-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001485960807 898559232 /nfs/dbraw/zinc/55/92/32/898559232.db2.gz NDLWFIQAJBPGOY-CYBMUJFWSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(C)C)CC1 ZINC001486065419 898633323 /nfs/dbraw/zinc/63/33/23/898633323.db2.gz GSQPDMUGUIBSQV-HNNXBMFYSA-N 2 0 295.427 0.054 20 30 CCEDRP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486495315 898903019 /nfs/dbraw/zinc/90/30/19/898903019.db2.gz CNBVHSBRBJKUMP-OAHLLOKOSA-N 2 0 295.427 0.579 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001327131460 914389002 /nfs/dbraw/zinc/38/90/02/914389002.db2.gz RUMXZGXMRJPWNL-RYUDHWBXSA-N 2 0 264.373 0.656 20 30 CCEDRP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001489219151 900450509 /nfs/dbraw/zinc/45/05/09/900450509.db2.gz PWBASBOLIKTFTM-HNNXBMFYSA-N 2 0 297.443 0.921 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001489286593 900457865 /nfs/dbraw/zinc/45/78/65/900457865.db2.gz LAOGHQURNRTVHP-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](C#N)CCC#N ZINC001326600520 901825359 /nfs/dbraw/zinc/82/53/59/901825359.db2.gz XZNBUIBCBSBTJN-KBPBESRZSA-N 2 0 263.389 0.655 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327604489 914650238 /nfs/dbraw/zinc/65/02/38/914650238.db2.gz WEMBGFTYWNXSAR-DZGCQCFKSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491178791 903423301 /nfs/dbraw/zinc/42/33/01/903423301.db2.gz GOMPBWSAFITWLD-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001280595471 904124115 /nfs/dbraw/zinc/12/41/15/904124115.db2.gz KNXIFJHAZUTGRM-AWEZNQCLSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281643289 904317583 /nfs/dbraw/zinc/31/75/83/904317583.db2.gz TVFOISHGDXGDRJ-CQSZACIVSA-N 2 0 295.427 0.457 20 30 CCEDRP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001332634670 904544049 /nfs/dbraw/zinc/54/40/49/904544049.db2.gz SBVFHEUXKPIXBU-LSDHHAIUSA-N 2 0 297.443 0.796 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283554519 904907043 /nfs/dbraw/zinc/90/70/43/904907043.db2.gz RJOALZGYDOOIOS-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001283702479 904969470 /nfs/dbraw/zinc/96/94/70/904969470.db2.gz LZINJPBTJSFKDD-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001283765403 905000367 /nfs/dbraw/zinc/00/03/67/905000367.db2.gz UCQMKTCGMUBREX-KGLIPLIRSA-N 2 0 283.416 0.504 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001284417173 905281981 /nfs/dbraw/zinc/28/19/81/905281981.db2.gz MKPUCCIFRJAXIC-LSDHHAIUSA-N 2 0 295.427 0.291 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001284416671 905282969 /nfs/dbraw/zinc/28/29/69/905282969.db2.gz OMMFBDFEERKAOZ-ZDUSSCGKSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001284418282 905283982 /nfs/dbraw/zinc/28/39/82/905283982.db2.gz SCIPYSIRQVLNHB-CQSZACIVSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316989782 908899853 /nfs/dbraw/zinc/89/98/53/908899853.db2.gz AKJWGYPZHLYGQV-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317304700 909132096 /nfs/dbraw/zinc/13/20/96/909132096.db2.gz GKOUCHZVOWGUKB-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351871 909154643 /nfs/dbraw/zinc/15/46/43/909154643.db2.gz BNXHKEQBBFSCRN-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317661575 909453667 /nfs/dbraw/zinc/45/36/67/909453667.db2.gz OKFZFIQNAPRNMV-CYBMUJFWSA-N 2 0 269.389 0.189 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001318538998 909807756 /nfs/dbraw/zinc/80/77/56/909807756.db2.gz AYCUQYYIOTUVIK-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001319200715 910032254 /nfs/dbraw/zinc/03/22/54/910032254.db2.gz BWQVNWSSMKMVJM-KBPBESRZSA-N 2 0 267.417 0.938 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC)CC1 ZINC001319286662 910062213 /nfs/dbraw/zinc/06/22/13/910062213.db2.gz XLQMGUYSMGFZTP-ZDUSSCGKSA-N 2 0 265.401 0.693 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319533420 910191019 /nfs/dbraw/zinc/19/10/19/910191019.db2.gz FUEBZBHUAYFWAN-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001320638425 910772504 /nfs/dbraw/zinc/77/25/04/910772504.db2.gz DKUIYIPFRCCXQH-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001322191554 911702424 /nfs/dbraw/zinc/70/24/24/911702424.db2.gz BZRAHUGTNLWBEI-CHWSQXEVSA-N 2 0 274.368 0.515 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392379229 911769267 /nfs/dbraw/zinc/76/92/67/911769267.db2.gz ZFKJWGHVQJCXIB-GFCCVEGCSA-N 2 0 289.807 0.290 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001329168940 915723872 /nfs/dbraw/zinc/72/38/72/915723872.db2.gz OCEKUWJPIHYTSZ-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330423518 916622908 /nfs/dbraw/zinc/62/29/08/916622908.db2.gz HGCGSXXKVOCSLO-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001330423477 916624608 /nfs/dbraw/zinc/62/46/08/916624608.db2.gz HCOWVLFAIDOETF-KGLIPLIRSA-N 2 0 283.416 0.720 20 30 CCEDRP COCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332117588 917873326 /nfs/dbraw/zinc/87/33/26/917873326.db2.gz BPLKTKJUOWHEIQ-CYBMUJFWSA-N 2 0 282.388 0.235 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001332393712 918117737 /nfs/dbraw/zinc/11/77/37/918117737.db2.gz KCJVNKLLHRWWTF-CYBMUJFWSA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC001332393713 918118273 /nfs/dbraw/zinc/11/82/73/918118273.db2.gz KCJVNKLLHRWWTF-ZDUSSCGKSA-N 2 0 264.373 0.751 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332661909 918366624 /nfs/dbraw/zinc/36/66/24/918366624.db2.gz AESVQZXMKMBAQK-HUUCEWRRSA-N 2 0 299.459 0.900 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC001332929042 918540407 /nfs/dbraw/zinc/54/04/07/918540407.db2.gz SAQWQLZHGPAJGF-GFCCVEGCSA-N 2 0 252.362 0.608 20 30 CCEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001336763035 920989244 /nfs/dbraw/zinc/98/92/44/920989244.db2.gz LTPWQUIXYAYDKI-STQMWFEESA-N 2 0 251.374 0.973 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001336785957 921010110 /nfs/dbraw/zinc/01/01/10/921010110.db2.gz WGYRFBGXVSVRMQ-GFCCVEGCSA-N 2 0 267.373 0.087 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC001340115011 921964775 /nfs/dbraw/zinc/96/47/75/921964775.db2.gz ZQQZETZDUZWTIL-HUUCEWRRSA-N 2 0 296.459 0.812 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCCCC[NH2+]1 ZINC001341550009 922548978 /nfs/dbraw/zinc/54/89/78/922548978.db2.gz RKXNXFVXGMSJBU-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC001341595197 922573677 /nfs/dbraw/zinc/57/36/77/922573677.db2.gz SZVSQFGHSVAFJY-HNNXBMFYSA-N 2 0 287.363 0.391 20 30 CCEDRP [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001342091567 922802942 /nfs/dbraw/zinc/80/29/42/922802942.db2.gz ZPEHZYRMUJKYJA-HOCLYGCPSA-N 2 0 275.396 0.719 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001346210580 924113781 /nfs/dbraw/zinc/11/37/81/924113781.db2.gz WBMWNJRNCRXXRZ-RRFJBIMHSA-N 2 0 295.427 0.728 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001346430041 924207738 /nfs/dbraw/zinc/20/77/38/924207738.db2.gz GUEUZVWCHFCDKD-NEPJUHHUSA-N 2 0 252.362 0.513 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001349840038 925075170 /nfs/dbraw/zinc/07/51/70/925075170.db2.gz PCXAJGLFTKZJSS-MRVPVSSYSA-N 2 0 266.267 0.357 20 30 CCEDRP CC(C)([NH3+])CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001349873007 925083340 /nfs/dbraw/zinc/08/33/40/925083340.db2.gz JVUFCEBPHIDMLC-CVZZAPKMSA-N 2 0 264.373 0.369 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H](C[NH+](C)C)OCC)CCC[NH2+]1 ZINC001354944288 926186956 /nfs/dbraw/zinc/18/69/56/926186956.db2.gz SYADUIPYGGQLHB-UKRRQHHQSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480550484 926948082 /nfs/dbraw/zinc/94/80/82/926948082.db2.gz ZMUMJYHEAXMGDG-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001447657773 930679616 /nfs/dbraw/zinc/67/96/16/930679616.db2.gz OIXJODFACMXHAG-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600747841 362054576 /nfs/dbraw/zinc/05/45/76/362054576.db2.gz LUCHGFPJFDQBNN-XQQFMLRXSA-N 2 0 251.374 0.971 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972028 362444122 /nfs/dbraw/zinc/44/41/22/362444122.db2.gz BIXHVIUHGMJSBQ-MDZLAQPJSA-N 2 0 250.346 0.266 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602528082 362659108 /nfs/dbraw/zinc/65/91/08/362659108.db2.gz BFCLRXZSDPYBEB-NEPJUHHUSA-N 2 0 264.373 0.798 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C[NH+]2CCC1CC2 ZINC000602590231 362696346 /nfs/dbraw/zinc/69/63/46/362696346.db2.gz CNXBLFYCLVTWJY-STQMWFEESA-N 2 0 264.373 0.560 20 30 CCEDRP CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)[NH+](C)C ZINC000089663672 349399049 /nfs/dbraw/zinc/39/90/49/349399049.db2.gz RXLHTSMOSVOAFU-GFCCVEGCSA-N 2 0 292.387 0.712 20 30 CCEDRP CN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000226043731 352018274 /nfs/dbraw/zinc/01/82/74/352018274.db2.gz XYRMLWGVFZQFCD-HUUCEWRRSA-N 2 0 289.379 0.982 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000572149117 358927440 /nfs/dbraw/zinc/92/74/40/358927440.db2.gz VHXNNXJPLHGKPH-HOTGVXAUSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916187 412691408 /nfs/dbraw/zinc/69/14/08/412691408.db2.gz SQLSIUFQOIZOGO-JTQLQIEISA-N 2 0 294.321 0.826 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595942925 360718508 /nfs/dbraw/zinc/71/85/08/360718508.db2.gz FCCFBISGQJZBMK-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNc1nc(N)[nH+]c(N)n1)C(C)C ZINC000623837818 367675046 /nfs/dbraw/zinc/67/50/46/367675046.db2.gz WBMXKPUXVJYGIC-NSHDSACASA-N 2 0 291.403 0.229 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C(C)C ZINC000638067335 374612276 /nfs/dbraw/zinc/61/22/76/374612276.db2.gz CCYHNRNDTKNCKK-SOUVJXGZSA-N 2 0 295.427 0.917 20 30 CCEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420454946 294935922 /nfs/dbraw/zinc/93/59/22/294935922.db2.gz LSBXRGDOFQZGSR-UHFFFAOYSA-N 2 0 296.396 0.247 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC#N ZINC000355985530 285243079 /nfs/dbraw/zinc/24/30/79/285243079.db2.gz KQIXWIJLFCGIPG-CYBMUJFWSA-N 2 0 266.389 0.775 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C[NH3+])OC)C(C)C ZINC000290127472 388901913 /nfs/dbraw/zinc/90/19/13/388901913.db2.gz ZVNQFUMCDGLPBD-ZIAGYGMSSA-N 2 0 283.416 0.775 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000360333378 389196533 /nfs/dbraw/zinc/19/65/33/389196533.db2.gz IAWFOXBUGFGDCT-GDBMZVCRSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150857241 389274150 /nfs/dbraw/zinc/27/41/50/389274150.db2.gz XNXXOTBIHLAFSO-ZDUSSCGKSA-N 2 0 294.399 0.416 20 30 CCEDRP C[NH+]=C(NCCn1ccnc1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261965269 389279083 /nfs/dbraw/zinc/27/90/83/389279083.db2.gz LGODPCLSUZOJQD-JSGCOSHPSA-N 2 0 290.415 0.531 20 30 CCEDRP C[NH+]1CCN(c2ccc(CNC(=[NH2+])NC3CC3)cn2)CC1 ZINC000264057949 389304005 /nfs/dbraw/zinc/30/40/05/389304005.db2.gz BOKWXPMXCRBUKR-UHFFFAOYSA-N 2 0 288.399 0.400 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccnc1 ZINC000264062390 389304225 /nfs/dbraw/zinc/30/42/25/389304225.db2.gz DFGWISUVMLMRND-ZDUSSCGKSA-N 2 0 278.404 0.662 20 30 CCEDRP CCCNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264090261 389306294 /nfs/dbraw/zinc/30/62/94/389306294.db2.gz KSAVNKDVUNEBNS-UHFFFAOYSA-N 2 0 290.415 0.648 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccn1C ZINC000267459022 389371431 /nfs/dbraw/zinc/37/14/31/389371431.db2.gz UOGPUJNEQSJYES-CYBMUJFWSA-N 2 0 263.389 0.914 20 30 CCEDRP COCCNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270604067 389434305 /nfs/dbraw/zinc/43/43/05/389434305.db2.gz WNAZMGJDBCBPPA-UHFFFAOYSA-N 2 0 295.387 0.073 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334992688 389518779 /nfs/dbraw/zinc/51/87/79/389518779.db2.gz JHCIJYQTJGAXQY-ZFWWWQNUSA-N 2 0 263.385 0.849 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060137 389872976 /nfs/dbraw/zinc/87/29/76/389872976.db2.gz OFIPKUFDPXOSAA-RYUDHWBXSA-N 2 0 282.388 0.448 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000644166441 390155303 /nfs/dbraw/zinc/15/53/03/390155303.db2.gz DVIBSYOROWOBBH-ITGHMWBKSA-N 2 0 254.374 0.919 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000491624469 397559682 /nfs/dbraw/zinc/55/96/82/397559682.db2.gz GPWOOFBHGNCZDW-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC([NH2+]C)CC2)CCC[NH2+]1 ZINC000662416110 414716237 /nfs/dbraw/zinc/71/62/37/414716237.db2.gz TVVMLYNIYJRHKO-AWEZNQCLSA-N 2 0 251.374 0.895 20 30 CCEDRP CC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000329511947 545023427 /nfs/dbraw/zinc/02/34/27/545023427.db2.gz KUCHBOQOEDVHOO-UHFFFAOYSA-N 2 0 298.431 0.431 20 30 CCEDRP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1=CC[N@H+](C)CC1 ZINC000516922089 260281795 /nfs/dbraw/zinc/28/17/95/260281795.db2.gz IEQNLCBQHWZHKV-ZFWWWQNUSA-N 2 0 280.416 0.433 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](C)CC1 ZINC000491807272 262072368 /nfs/dbraw/zinc/07/23/68/262072368.db2.gz SSCFKXDLHADRGF-UHFFFAOYSA-N 2 0 280.416 0.583 20 30 CCEDRP CNC(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)=[NH+]C ZINC000272883394 263009551 /nfs/dbraw/zinc/00/95/51/263009551.db2.gz HXWCNMNRTPMFRD-CQSZACIVSA-N 2 0 276.384 0.548 20 30 CCEDRP C[C@@H]1C[NH+]=C(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)N1 ZINC000285025616 263089355 /nfs/dbraw/zinc/08/93/55/263089355.db2.gz JKHDAKADJJXRQD-DOMZBBRYSA-N 2 0 288.395 0.343 20 30 CCEDRP C=CCN(CC=C)C(=O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000071147285 264248009 /nfs/dbraw/zinc/24/80/09/264248009.db2.gz JFCLLZXUNHQZHR-ZDUSSCGKSA-N 2 0 251.374 0.728 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC[C@H]1CCCO1 ZINC000072718102 264270728 /nfs/dbraw/zinc/27/07/28/264270728.db2.gz KJDXWGMXLNPVTJ-GFCCVEGCSA-N 2 0 254.378 0.426 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261943722 328143240 /nfs/dbraw/zinc/14/32/40/328143240.db2.gz FDIMQQAGLQPAQC-FZMZJTMJSA-N 2 0 290.415 0.568 20 30 CCEDRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC[N@@H+]1C ZINC000574749855 327371309 /nfs/dbraw/zinc/37/13/09/327371309.db2.gz CTQGXLZRQBDIPD-RDBSUJKOSA-N 2 0 268.405 0.265 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262675211 330026126 /nfs/dbraw/zinc/02/61/26/330026126.db2.gz SXCRUQOASVEILJ-VXGBXAGGSA-N 2 0 254.378 0.281 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N[C@H]1CCN(C2CC2)C1 ZINC000262810507 330033283 /nfs/dbraw/zinc/03/32/83/330033283.db2.gz VBWLDSADUFSUBH-NSHDSACASA-N 2 0 266.389 0.303 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCCC1 ZINC000424132911 330265261 /nfs/dbraw/zinc/26/52/61/330265261.db2.gz LFWBNLAMSRIFSQ-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424137626 330275076 /nfs/dbraw/zinc/27/50/76/330275076.db2.gz SJAQXXKXJSKYNP-OLZOCXBDSA-N 2 0 266.389 0.808 20 30 CCEDRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424144219 330289637 /nfs/dbraw/zinc/28/96/37/330289637.db2.gz KTUYQPPERNXOQG-FRRDWIJNSA-N 2 0 264.373 0.703 20 30 CCEDRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424156142 330303849 /nfs/dbraw/zinc/30/38/49/330303849.db2.gz NQTNIWQVMRTRGV-NEPJUHHUSA-N 2 0 254.378 0.854 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172727 330312745 /nfs/dbraw/zinc/31/27/45/330312745.db2.gz DHULQMHSJJGHOC-RYUDHWBXSA-N 2 0 252.362 0.560 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424194869 330324470 /nfs/dbraw/zinc/32/44/70/330324470.db2.gz MESUCQNMGBQURI-OLZOCXBDSA-N 2 0 272.352 0.924 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000424197201 330325650 /nfs/dbraw/zinc/32/56/50/330325650.db2.gz WJNBQJCYTKCUCG-MJBXVCDLSA-N 2 0 278.400 0.856 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000490713558 332107237 /nfs/dbraw/zinc/10/72/37/332107237.db2.gz KUEXTYGUJJLVQV-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+](C)CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000491460630 332215252 /nfs/dbraw/zinc/21/52/52/332215252.db2.gz ANCNVYNGNVRVKI-AWEZNQCLSA-N 3 0 279.432 0.540 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000491513979 332226647 /nfs/dbraw/zinc/22/66/47/332226647.db2.gz FQUMSNIMKQCZPJ-CQSZACIVSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000491616979 332243874 /nfs/dbraw/zinc/24/38/74/332243874.db2.gz AMYXOXGPDJEOSY-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000491634211 332255609 /nfs/dbraw/zinc/25/56/09/332255609.db2.gz QMISFYNCAFRYQD-AWEZNQCLSA-N 2 0 292.427 0.725 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000491634214 332255753 /nfs/dbraw/zinc/25/57/53/332255753.db2.gz QMISFYNCAFRYQD-CQSZACIVSA-N 2 0 292.427 0.725 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CC=C(C)CC1 ZINC000491650849 332264613 /nfs/dbraw/zinc/26/46/13/332264613.db2.gz CGTWPSRTOMAPMM-UHFFFAOYSA-N 2 0 292.427 0.893 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C=C)CC1 ZINC000491740135 332319403 /nfs/dbraw/zinc/31/94/03/332319403.db2.gz QPOOXBFGHJZPET-HNNXBMFYSA-N 2 0 275.396 0.804 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000491771608 332338234 /nfs/dbraw/zinc/33/82/34/332338234.db2.gz PBGJHFXVGJZUNX-AWEZNQCLSA-N 2 0 280.416 0.758 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491875392 332373089 /nfs/dbraw/zinc/37/30/89/332373089.db2.gz YJLBCKPTNMPJEY-WAYWQWQTSA-N 2 0 251.374 0.871 20 30 CCEDRP C=CCC[C@@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178108491 335415674 /nfs/dbraw/zinc/41/56/74/335415674.db2.gz CNULORPELUWXSJ-OAHLLOKOSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000794115187 581344763 /nfs/dbraw/zinc/34/47/63/581344763.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 0 261.369 0.462 20 30 CCEDRP C[NH+](C)CCCNC(=S)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765575063 581525479 /nfs/dbraw/zinc/52/54/79/581525479.db2.gz FWJLHSLZSQNNCI-LBPRGKRZSA-N 2 0 283.445 0.626 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884430095 614274357 /nfs/dbraw/zinc/27/43/57/614274357.db2.gz DSVYXSCSIJHIRC-MYMJJRTCSA-N 2 0 290.411 0.582 20 30 CCEDRP CC(C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000104174560 614300638 /nfs/dbraw/zinc/30/06/38/614300638.db2.gz ORRJPYQZEOKUKZ-GFCCVEGCSA-N 2 0 255.410 0.183 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461906 612956977 /nfs/dbraw/zinc/95/69/77/612956977.db2.gz NOCAGINDLXYODO-ZIAGYGMSSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000969213747 612966925 /nfs/dbraw/zinc/96/69/25/612966925.db2.gz MQCBGLBUKFDLSF-CYBMUJFWSA-N 2 0 268.320 0.772 20 30 CCEDRP C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C)CC1 ZINC000886573244 613065164 /nfs/dbraw/zinc/06/51/64/613065164.db2.gz BNCZSINLCHBWPU-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000823187850 613072506 /nfs/dbraw/zinc/07/25/06/613072506.db2.gz KPJIEHPDUPBPIB-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000868653634 613074356 /nfs/dbraw/zinc/07/43/56/613074356.db2.gz ZCQFXNHBHXRUAR-HUUCEWRRSA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000827330690 613129444 /nfs/dbraw/zinc/12/94/44/613129444.db2.gz QSESBLHQZVKTEX-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000928648245 613132543 /nfs/dbraw/zinc/13/25/43/613132543.db2.gz HPOZVUSLMBPSGU-UHFFFAOYSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000928656102 613132982 /nfs/dbraw/zinc/13/29/82/613132982.db2.gz KXXRYHYRNCDYOH-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[NH+](CC)CC)CC1 ZINC000913831063 613133755 /nfs/dbraw/zinc/13/37/55/613133755.db2.gz MNORAJVAIMDVOT-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC1 ZINC000849000248 613220515 /nfs/dbraw/zinc/22/05/15/613220515.db2.gz LYEGKMVQDWRVMM-VXGBXAGGSA-N 2 0 252.362 0.177 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960285968 613313931 /nfs/dbraw/zinc/31/39/31/613313931.db2.gz DBUHACVLXGKYBV-LJIGWXMPSA-N 2 0 289.423 0.929 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592555 613342824 /nfs/dbraw/zinc/34/28/24/613342824.db2.gz RRHPPSNJCSBWFU-KGLIPLIRSA-N 2 0 293.411 0.067 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000913427174 613365734 /nfs/dbraw/zinc/36/57/34/613365734.db2.gz LDWWPFROVKMMRM-ZDUSSCGKSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876923467 613387688 /nfs/dbraw/zinc/38/76/88/613387688.db2.gz CFCCKFVIJNNNIQ-ZYHUDNBSSA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000876502486 613389262 /nfs/dbraw/zinc/38/92/62/613389262.db2.gz AXOVYIHKENUUEL-MNOVXSKESA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000876859276 613389438 /nfs/dbraw/zinc/38/94/38/613389438.db2.gz DNVZZDXHIISWQK-TUAOUCFPSA-N 2 0 271.792 0.914 20 30 CCEDRP C=C[C@@](C)(O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017223 613477881 /nfs/dbraw/zinc/47/78/81/613477881.db2.gz JKKCOAHVQBQPDT-UMVBOHGHSA-N 2 0 283.416 0.121 20 30 CCEDRP C=C[C@H](C)ONC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000845631011 613484489 /nfs/dbraw/zinc/48/44/89/613484489.db2.gz OPLBOTPXARZPIB-LBPRGKRZSA-N 2 0 272.393 0.627 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710627 613532895 /nfs/dbraw/zinc/53/28/95/613532895.db2.gz QYIDJMPBQYECNU-TUAOUCFPSA-N 2 0 251.330 0.429 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977497868 613608715 /nfs/dbraw/zinc/60/87/15/613608715.db2.gz LNFAYYHUDSXWFY-CQSZACIVSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884214052 613675409 /nfs/dbraw/zinc/67/54/09/613675409.db2.gz RXPRHBCSELUCPD-CYBMUJFWSA-N 2 0 251.374 0.880 20 30 CCEDRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852827690 614214879 /nfs/dbraw/zinc/21/48/79/614214879.db2.gz NLAHSUDPZGVMLM-SDDRHHMPSA-N 2 0 252.362 0.225 20 30 CCEDRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852799718 614225601 /nfs/dbraw/zinc/22/56/01/614225601.db2.gz WPBUGILEMLOIHC-CQSZACIVSA-N 2 0 265.401 0.821 20 30 CCEDRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867972361 615129236 /nfs/dbraw/zinc/12/92/36/615129236.db2.gz XYHGWVYEBCPRRL-IAQYHMDHSA-N 2 0 286.379 0.859 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151239982 615144221 /nfs/dbraw/zinc/14/42/21/615144221.db2.gz NYEDZASSGMUXPK-JSGCOSHPSA-N 2 0 268.405 0.944 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000877146157 615760614 /nfs/dbraw/zinc/76/06/14/615760614.db2.gz UBJLWLDZYDZWOZ-HNNXBMFYSA-N 2 0 275.396 0.542 20 30 CCEDRP CN(CCC(=O)NCC#CC[NH+](C)C)c1cc[nH+]cc1 ZINC000913520110 615857879 /nfs/dbraw/zinc/85/78/79/615857879.db2.gz CYXRUOSKGVFBQZ-UHFFFAOYSA-N 2 0 274.368 0.589 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000913521452 615859691 /nfs/dbraw/zinc/85/96/91/615859691.db2.gz ZUZOCNVDABJQDJ-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C[NH+](C)CC(C)(C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852853991 615867409 /nfs/dbraw/zinc/86/74/09/615867409.db2.gz BQHZDYPFCCFDRV-UHFFFAOYSA-N 2 0 265.401 0.693 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884310001 615945636 /nfs/dbraw/zinc/94/56/36/615945636.db2.gz LZGOJMYZXRLPOY-MYMJJRTCSA-N 2 0 290.411 0.678 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC=C)C2)CC1 ZINC001023128389 622919695 /nfs/dbraw/zinc/91/96/95/622919695.db2.gz CHTHYRWNNPBDHV-GASCZTMLSA-N 2 0 275.396 0.754 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001020865554 624614274 /nfs/dbraw/zinc/61/42/74/624614274.db2.gz JVLCQKNGNLWDNG-SHTZXODSSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000985328561 632436622 /nfs/dbraw/zinc/43/66/22/632436622.db2.gz VTCBJXGFZLYHRN-AWEZNQCLSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359436 632861737 /nfs/dbraw/zinc/86/17/37/632861737.db2.gz OLVNFROHFUMWAN-QWHCGFSZSA-N 2 0 263.385 0.847 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681760 633343631 /nfs/dbraw/zinc/34/36/31/633343631.db2.gz FVPXNEWIDNJPST-CHWSQXEVSA-N 2 0 263.385 0.847 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001009201569 650138940 /nfs/dbraw/zinc/13/89/40/650138940.db2.gz LDGPZZFEEDGOHV-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524377 636897599 /nfs/dbraw/zinc/89/75/99/636897599.db2.gz VWONERVVXKZPSU-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995551899 638776087 /nfs/dbraw/zinc/77/60/87/638776087.db2.gz OTZQTBPRXBEUPL-QWHCGFSZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997056203 638850317 /nfs/dbraw/zinc/85/03/17/638850317.db2.gz BPRIWJCJFKVCFM-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997187968 638858499 /nfs/dbraw/zinc/85/84/99/638858499.db2.gz YFJFCHSQBSHVLL-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999172099 638964470 /nfs/dbraw/zinc/96/44/70/638964470.db2.gz ZYGSBVNCSHTTCG-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437952 638981554 /nfs/dbraw/zinc/98/15/54/638981554.db2.gz ZVRRGLVZLVNETE-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000999876241 639013922 /nfs/dbraw/zinc/01/39/22/639013922.db2.gz IZUXLQAJVZPQBK-UHFFFAOYSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000195110 639051177 /nfs/dbraw/zinc/05/11/77/639051177.db2.gz XKBQXKVSJYKATQ-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000521806 639109254 /nfs/dbraw/zinc/10/92/54/639109254.db2.gz OFQQUCYAOJWZQU-AWEZNQCLSA-N 2 0 261.369 0.462 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001000719352 639160571 /nfs/dbraw/zinc/16/05/71/639160571.db2.gz SOVGQQZWKZFYHR-CYBMUJFWSA-N 2 0 286.379 0.975 20 30 CCEDRP C[C@@H](O)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814961922 641086363 /nfs/dbraw/zinc/08/63/63/641086363.db2.gz WGXQZLVOTCDFEA-CYBMUJFWSA-N 2 0 276.384 0.743 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015994587 650670646 /nfs/dbraw/zinc/67/06/46/650670646.db2.gz JPTOPIYUMAHBMJ-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000834484102 642574087 /nfs/dbraw/zinc/57/40/87/642574087.db2.gz DTKRKBVFKWOXCQ-FRRDWIJNSA-N 2 0 258.325 0.304 20 30 CCEDRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@H]1CCC[NH2+]C1 ZINC000834484864 642575960 /nfs/dbraw/zinc/57/59/60/642575960.db2.gz OIXAJVYINOBROV-YVECIDJPSA-N 2 0 264.373 0.240 20 30 CCEDRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485436 642576817 /nfs/dbraw/zinc/57/68/17/642576817.db2.gz XAWFGYNDWPHURA-WXHSDQCUSA-N 2 0 258.325 0.223 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1C[NH3+] ZINC000852798989 644003142 /nfs/dbraw/zinc/00/31/42/644003142.db2.gz PNWMXIYNUXJLEL-TZMCWYRMSA-N 2 0 263.385 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000852877779 644038567 /nfs/dbraw/zinc/03/85/67/644038567.db2.gz DANCGBWYTVQGLT-UHFFFAOYSA-N 2 0 283.375 0.909 20 30 CCEDRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885009 644042263 /nfs/dbraw/zinc/04/22/63/644042263.db2.gz RLNGLYVGYKUJJU-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018856486 650916130 /nfs/dbraw/zinc/91/61/30/650916130.db2.gz HHGAADYVYSKYSM-UONOGXRCSA-N 2 0 261.369 0.152 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145575 651044018 /nfs/dbraw/zinc/04/40/18/651044018.db2.gz NTRRBVBJJWNZGI-IHRRRGAJSA-N 2 0 263.385 0.729 20 30 CCEDRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727102 646650544 /nfs/dbraw/zinc/65/05/44/646650544.db2.gz FCNOMBRWPPFEOI-BBRMVZONSA-N 2 0 298.390 0.813 20 30 CCEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+](C)C ZINC000884199430 647665704 /nfs/dbraw/zinc/66/57/04/647665704.db2.gz YOLKJXIAVMJAQN-KTEZZQQRSA-N 2 0 264.373 0.192 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[NH3+])cc1)C2 ZINC000884376104 647722231 /nfs/dbraw/zinc/72/22/31/647722231.db2.gz XIRUTKAJVCTOAZ-ISXOHVOVSA-N 2 0 298.390 0.901 20 30 CCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303268173 649813677 /nfs/dbraw/zinc/81/36/77/649813677.db2.gz YJYDTSSWHLPWGB-NEPJUHHUSA-N 2 0 256.394 0.800 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000303874333 649825993 /nfs/dbraw/zinc/82/59/93/649825993.db2.gz HDKCKNVADVPWCA-GJZGRUSLSA-N 2 0 295.475 0.917 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303869516 649826029 /nfs/dbraw/zinc/82/60/29/649826029.db2.gz AZEGJJVUUPOWLH-UHFFFAOYSA-N 2 0 297.447 0.524 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303882514 649826319 /nfs/dbraw/zinc/82/63/19/649826319.db2.gz IDKOKWMOGWSALF-AWEZNQCLSA-N 2 0 281.448 0.813 20 30 CCEDRP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000303898042 649826430 /nfs/dbraw/zinc/82/64/30/649826430.db2.gz QZISZITWZNQRRZ-KBPBESRZSA-N 3 0 281.448 0.717 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303892121 649826672 /nfs/dbraw/zinc/82/66/72/649826672.db2.gz NKULXBDTIHIVIS-UHFFFAOYSA-N 2 0 267.421 0.494 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C)C1 ZINC000304751635 649838300 /nfs/dbraw/zinc/83/83/00/649838300.db2.gz JMSODNBWLQWCHQ-KGLIPLIRSA-N 3 0 281.448 0.717 20 30 CCEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305060074 649840821 /nfs/dbraw/zinc/84/08/21/649840821.db2.gz KSRSHMBVGXHLSY-UHFFFAOYSA-N 2 0 281.448 0.815 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266323177 790505042 /nfs/dbraw/zinc/50/50/42/790505042.db2.gz WGDYODQAOFLVFT-KGLIPLIRSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001266412458 790656853 /nfs/dbraw/zinc/65/68/53/790656853.db2.gz UCLGQXQSJPNDPD-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266453383 790744123 /nfs/dbraw/zinc/74/41/23/790744123.db2.gz DUNHQGVACLXLFQ-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266579300 790967223 /nfs/dbraw/zinc/96/72/23/790967223.db2.gz MKHPLRJULIOQGG-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N(CC)[C@@H]2CCC[NH2+]C2)C1 ZINC001161329498 791103143 /nfs/dbraw/zinc/10/31/43/791103143.db2.gz DKUUVJKBKGPPLV-OCCSQVGLSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561466 791486779 /nfs/dbraw/zinc/48/67/79/791486779.db2.gz FIYNEYKDWNOZPG-UHFFFAOYSA-N 2 0 293.411 0.001 20 30 CCEDRP C=CCCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001278105230 806675441 /nfs/dbraw/zinc/67/54/41/806675441.db2.gz GUXDHBQUAGFPLZ-AWEZNQCLSA-N 2 0 295.427 0.648 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001278105840 806675759 /nfs/dbraw/zinc/67/57/59/806675759.db2.gz PTNHBHXLPABFMU-QWHCGFSZSA-N 2 0 269.389 0.114 20 30 CCEDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C#Cc1ccccc1 ZINC001142862429 800167703 /nfs/dbraw/zinc/16/77/03/800167703.db2.gz KINQCYGERQBJCG-UHFFFAOYSA-N 2 0 258.325 0.499 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC[C@@H](C)O)CC1 ZINC001152330234 800511182 /nfs/dbraw/zinc/51/11/82/800511182.db2.gz JSVNPWVASFYGTD-CQSZACIVSA-N 2 0 295.427 0.198 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152457398 800526263 /nfs/dbraw/zinc/52/62/63/800526263.db2.gz DAGAXUWGOYHGFK-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001157721033 801462571 /nfs/dbraw/zinc/46/25/71/801462571.db2.gz RYZFZVCOCWCUFF-ZDUSSCGKSA-N 2 0 275.356 0.390 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421214 801642232 /nfs/dbraw/zinc/64/22/32/801642232.db2.gz CXBUZBDFGMKUNG-RRFJBIMHSA-N 2 0 284.363 0.391 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159335296 801795110 /nfs/dbraw/zinc/79/51/10/801795110.db2.gz XUKZXSSQMHCSRR-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP N#Cc1cc2c(nc1N[C@@H]([NH3+])CCC[NH3+])CCOC2 ZINC001159789610 801873161 /nfs/dbraw/zinc/87/31/61/801873161.db2.gz WCNNURVYMNOQTP-GFCCVEGCSA-N 2 0 261.329 0.462 20 30 CCEDRP C=CCN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160432249 801939723 /nfs/dbraw/zinc/93/97/23/801939723.db2.gz QVYKXBPGZLAYOT-CQSZACIVSA-N 2 0 292.427 0.191 20 30 CCEDRP C#CC[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161722657 802209128 /nfs/dbraw/zinc/20/91/28/802209128.db2.gz BPZNLTGTCPNTBT-UHFFFAOYSA-N 2 0 287.407 0.854 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)nc(C#N)n1 ZINC001163125728 802487772 /nfs/dbraw/zinc/48/77/72/802487772.db2.gz IMEOJXWBGNEQNX-UHFFFAOYSA-N 2 0 275.360 0.935 20 30 CCEDRP N#CCc1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc[nH+]1 ZINC001163176200 802501465 /nfs/dbraw/zinc/50/14/65/802501465.db2.gz ODAYTMCGLLEKRI-KCPJHIHWSA-N 2 0 272.352 0.606 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744165 802955526 /nfs/dbraw/zinc/95/55/26/802955526.db2.gz KOWVNBHNQSRMDR-UHFFFAOYSA-N 2 0 297.443 0.710 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276468011 803086061 /nfs/dbraw/zinc/08/60/61/803086061.db2.gz FGZUYWPIDIDBMA-GFCCVEGCSA-N 2 0 253.390 0.949 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205241555 803129146 /nfs/dbraw/zinc/12/91/46/803129146.db2.gz SSZFMSVPBGNJRO-OAHLLOKOSA-N 2 0 275.352 0.940 20 30 CCEDRP N#Cc1ccc(CCC[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206464691 803247228 /nfs/dbraw/zinc/24/72/28/803247228.db2.gz SALGAIPFIBCZIO-LSDHHAIUSA-N 2 0 259.353 0.742 20 30 CCEDRP N#Cc1cccc2c(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001206469631 803248840 /nfs/dbraw/zinc/24/88/40/803248840.db2.gz SHUWLBSYUOFWMK-SMDDNHRTSA-N 2 0 270.336 0.791 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206929073 803308091 /nfs/dbraw/zinc/30/80/91/803308091.db2.gz SZKHBKORFMDEMR-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207689528 803439321 /nfs/dbraw/zinc/43/93/21/803439321.db2.gz ZYRMFGYHNWSOGA-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323761 803595192 /nfs/dbraw/zinc/59/51/92/803595192.db2.gz LQRBLAUSNCULRJ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757445 803758725 /nfs/dbraw/zinc/75/87/25/803758725.db2.gz MPCATHPSOOUEGT-HZSPNIEDSA-N 2 0 283.391 0.736 20 30 CCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752522 803853986 /nfs/dbraw/zinc/85/39/86/803853986.db2.gz SICADWFIHAFHKG-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP N#Cc1c(NC(=O)[C@H]([NH3+])CCC[NH3+])sc2c1CC[NH2+]C2 ZINC001218554752 804002233 /nfs/dbraw/zinc/00/22/33/804002233.db2.gz WOZAQSMPOUNAEX-SNVBAGLBSA-N 3 0 293.396 0.270 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(O)c1 ZINC001218989298 804176865 /nfs/dbraw/zinc/17/68/65/804176865.db2.gz UQKUPLDYVAEOIK-IAQYHMDHSA-N 2 0 286.335 0.401 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219904959 804445227 /nfs/dbraw/zinc/44/52/27/804445227.db2.gz PUGBGTGVKQZKNP-KGLIPLIRSA-N 2 0 297.443 0.844 20 30 CCEDRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001220158566 804519734 /nfs/dbraw/zinc/51/97/34/804519734.db2.gz BAJYRUAHVWYAQJ-GJZGRUSLSA-N 2 0 286.379 0.638 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345033 804579927 /nfs/dbraw/zinc/57/99/27/804579927.db2.gz NBDWPLJYDVJXLG-ILXRZTDVSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CC[NH2+]CCN1C[C@@H]2C[NH2+]CCC[C@]2(C(=O)OCC)C1 ZINC001222125795 804873038 /nfs/dbraw/zinc/87/30/38/804873038.db2.gz WSHDELFRRWZSPW-HOCLYGCPSA-N 2 0 295.427 0.627 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001277094241 805187030 /nfs/dbraw/zinc/18/70/30/805187030.db2.gz PEDJZOYRMDOPLX-KGLIPLIRSA-N 2 0 275.396 0.875 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354715 805438930 /nfs/dbraw/zinc/43/89/30/805438930.db2.gz CDRMVCADGLBTTI-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC001229202529 805511878 /nfs/dbraw/zinc/51/18/78/805511878.db2.gz VRYSBKHJBCUZEY-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278396704 807065231 /nfs/dbraw/zinc/06/52/31/807065231.db2.gz BXJJMPINWFPDCB-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024154 807122091 /nfs/dbraw/zinc/12/20/91/807122091.db2.gz OXHYIHYPTXJHOJ-RDBSUJKOSA-N 2 0 253.390 0.339 20 30 CCEDRP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246046762 807132515 /nfs/dbraw/zinc/13/25/15/807132515.db2.gz PATPFJWBWWTUDS-WALBABNVSA-N 2 0 294.395 0.254 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[NH2+]C2)cc1 ZINC001246303837 807216273 /nfs/dbraw/zinc/21/62/73/807216273.db2.gz JBBDKZQVNDEMEJ-LBPRGKRZSA-N 2 0 261.325 0.931 20 30 CCEDRP C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001246315509 807219569 /nfs/dbraw/zinc/21/95/69/807219569.db2.gz MJYVUDFKMXAFSR-BXKDBHETSA-N 2 0 260.341 0.631 20 30 CCEDRP N#Cc1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246391531 807240798 /nfs/dbraw/zinc/24/07/98/807240798.db2.gz BIMDKHRFKXJCFY-NSHDSACASA-N 2 0 262.382 0.803 20 30 CCEDRP C#CCCC1(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)N=N1 ZINC001246515462 807270607 /nfs/dbraw/zinc/27/06/07/807270607.db2.gz NLWDZPATOJDBPO-LBPRGKRZSA-N 2 0 261.373 0.636 20 30 CCEDRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC#CC[NH+](C)C ZINC001251708110 807697100 /nfs/dbraw/zinc/69/71/00/807697100.db2.gz KKFFBGHHCXPARG-CYBMUJFWSA-N 2 0 266.389 0.287 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001251885359 807735456 /nfs/dbraw/zinc/73/54/56/807735456.db2.gz TYVMRGCFBITAOS-CQSZACIVSA-N 2 0 256.390 0.709 20 30 CCEDRP C=C(C)C(=O)NCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253404397 808058963 /nfs/dbraw/zinc/05/89/63/808058963.db2.gz VOGDPZOZEUDILU-LBPRGKRZSA-N 2 0 271.405 0.407 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001278761305 808179488 /nfs/dbraw/zinc/17/94/88/808179488.db2.gz DFUUTTNNPYGMDI-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777107 808214244 /nfs/dbraw/zinc/21/42/44/808214244.db2.gz SUPCPPOWSWIFPJ-HOCLYGCPSA-N 2 0 295.427 0.598 20 30 CCEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)O1 ZINC001254642776 808268833 /nfs/dbraw/zinc/26/88/33/808268833.db2.gz GVUSAZICFUQUGM-XVIXHAIJSA-N 2 0 267.373 0.993 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278827437 808299006 /nfs/dbraw/zinc/29/90/06/808299006.db2.gz NKRBLCDPGKTYEM-UONOGXRCSA-N 2 0 283.416 0.313 20 30 CCEDRP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)CC[N@@H+](C)CC ZINC001278878084 808418966 /nfs/dbraw/zinc/41/89/66/808418966.db2.gz HWSIYTDQEULXDE-AWEZNQCLSA-N 2 0 283.416 0.103 20 30 CCEDRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC001261502143 809000795 /nfs/dbraw/zinc/00/07/95/809000795.db2.gz BABGFYQZZYQNEH-FRRDWIJNSA-N 2 0 266.389 0.997 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001261552566 809018705 /nfs/dbraw/zinc/01/87/05/809018705.db2.gz VTHSSOQLXSWYKA-SRVKXCTJSA-N 2 0 252.362 0.593 20 30 CCEDRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCOCC1 ZINC001261552616 809019056 /nfs/dbraw/zinc/01/90/56/809019056.db2.gz XIDZPDJDXNLTOG-CYBMUJFWSA-N 2 0 296.415 0.625 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC001263101331 809444115 /nfs/dbraw/zinc/44/41/15/809444115.db2.gz PIOHRRFUKBBGOP-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[C@H]1CSCC[NH2+]1 ZINC001263134103 809456141 /nfs/dbraw/zinc/45/61/41/809456141.db2.gz LPLNKQBXMDZIKH-ZDUSSCGKSA-N 2 0 281.425 0.201 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076461890 815300269 /nfs/dbraw/zinc/30/02/69/815300269.db2.gz AIUUYSCMNIIWCW-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265036525 809696545 /nfs/dbraw/zinc/69/65/45/809696545.db2.gz GIWDCYQUPZQWHE-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC=C)CC1 ZINC001265073230 809703347 /nfs/dbraw/zinc/70/33/47/809703347.db2.gz UOKQQDUPHWQOHL-UHFFFAOYSA-N 2 0 277.412 0.956 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265436559 809779423 /nfs/dbraw/zinc/77/94/23/809779423.db2.gz KDLOOZMOCGWSNS-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP CC[C@@H](C(=O)NCC1([NH2+]CC#CCOC)CCC1)[NH+](C)C ZINC001280505346 810026733 /nfs/dbraw/zinc/02/67/33/810026733.db2.gz LSKHHUGVBUPADW-AWEZNQCLSA-N 2 0 295.427 0.605 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282943 811092412 /nfs/dbraw/zinc/09/24/12/811092412.db2.gz SSDMFSLTDOJVKO-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987245 815428841 /nfs/dbraw/zinc/42/88/41/815428841.db2.gz IDWUCSSOZSERTG-RBSFLKMASA-N 2 0 295.427 0.597 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683829 811368370 /nfs/dbraw/zinc/36/83/70/811368370.db2.gz ULSMUSMXTZXDNY-RUXDESIVSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274326 811427905 /nfs/dbraw/zinc/42/79/05/811427905.db2.gz HPJXGNGJKTVABQ-QLFBSQMISA-N 2 0 293.411 0.426 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279746275 811633294 /nfs/dbraw/zinc/63/32/94/811633294.db2.gz KBSZWGFLIMDLMX-HUUCEWRRSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267999946 811936151 /nfs/dbraw/zinc/93/61/51/811936151.db2.gz GBGDFULTMRTCMT-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268064661 812176915 /nfs/dbraw/zinc/17/69/15/812176915.db2.gz SNPLTNFRHVXJCY-ZDUSSCGKSA-N 2 0 293.415 0.681 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268101313 812260473 /nfs/dbraw/zinc/26/04/73/812260473.db2.gz WMIQYRJBFHWMOH-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001268226298 812383690 /nfs/dbraw/zinc/38/36/90/812383690.db2.gz GVXGAGHVKLRROB-GJZGRUSLSA-N 2 0 295.427 0.318 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268321703 812485279 /nfs/dbraw/zinc/48/52/79/812485279.db2.gz UZJUVYABJOVCQD-KBPBESRZSA-N 2 0 283.416 0.361 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268590008 812877129 /nfs/dbraw/zinc/87/71/29/812877129.db2.gz BOARTECLLBRZPG-GXMNPTEKSA-N 2 0 263.385 0.614 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268667641 812991050 /nfs/dbraw/zinc/99/10/50/812991050.db2.gz QPTSFDOGOPUYLX-CYBMUJFWSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268700030 813019044 /nfs/dbraw/zinc/01/90/44/813019044.db2.gz BWCPUNSSHYLZDL-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268747616 813059541 /nfs/dbraw/zinc/05/95/41/813059541.db2.gz STOFZNMCKIGRCW-STQMWFEESA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)CCn2ccnc2)C1 ZINC001269264345 813296673 /nfs/dbraw/zinc/29/66/73/813296673.db2.gz WUAPMGQUTMXSAE-ZDUSSCGKSA-N 2 0 260.341 0.439 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028986940 813726234 /nfs/dbraw/zinc/72/62/34/813726234.db2.gz VBXZQRRPZQVZDS-QWHCGFSZSA-N 2 0 251.374 0.562 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029002351 813744371 /nfs/dbraw/zinc/74/43/71/813744371.db2.gz PRXDGVIBISSRRV-OAHLLOKOSA-N 2 0 287.407 0.403 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001029003255 813746173 /nfs/dbraw/zinc/74/61/73/813746173.db2.gz JSQUIGXUCWPMAP-AWEZNQCLSA-N 2 0 295.402 0.739 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)CCc2cncn2C)C1 ZINC001270650213 813871486 /nfs/dbraw/zinc/87/14/86/813871486.db2.gz ROWDFFXWGFFCSD-OAHLLOKOSA-N 2 0 274.368 0.567 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1CC ZINC001087621598 814176385 /nfs/dbraw/zinc/17/63/85/814176385.db2.gz BLIFRIWIKQYCON-LXTVHRRPSA-N 2 0 293.411 0.308 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001271451223 814443776 /nfs/dbraw/zinc/44/37/76/814443776.db2.gz YKGMSMFPNFUVFT-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199755 814443898 /nfs/dbraw/zinc/44/38/98/814443898.db2.gz BPVWJDUSSXFVEU-PMPSAXMXSA-N 2 0 289.423 0.742 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201516 814446597 /nfs/dbraw/zinc/44/65/97/814446597.db2.gz GQLWTUNPCRAEHY-CVEARBPZSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572018 814923622 /nfs/dbraw/zinc/92/36/22/814923622.db2.gz VEJSNKUHPUKJMU-SNPRPXQTSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065520 815621013 /nfs/dbraw/zinc/62/10/13/815621013.db2.gz AICUSKFAIVSUSR-CYBMUJFWSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255345 816465966 /nfs/dbraw/zinc/46/59/66/816465966.db2.gz IVFXRFLFVHPRAW-KGLIPLIRSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CCCN1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030958512 816503248 /nfs/dbraw/zinc/50/32/48/816503248.db2.gz MBTKOEMLHYDFIF-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031919644 817465462 /nfs/dbraw/zinc/46/54/62/817465462.db2.gz GJGGWTKQHPVMBQ-CQSZACIVSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781439 817685962 /nfs/dbraw/zinc/68/59/62/817685962.db2.gz HWIULBYEJYYAFG-MJBXVCDLSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039434 817692849 /nfs/dbraw/zinc/69/28/49/817692849.db2.gz RMLKAVVTPVWRGZ-ZIAGYGMSSA-N 2 0 265.401 0.644 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001032197741 817694396 /nfs/dbraw/zinc/69/43/96/817694396.db2.gz UQUUZCKZANGGGZ-AWEZNQCLSA-N 2 0 281.400 0.331 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785811 817868556 /nfs/dbraw/zinc/86/85/56/817868556.db2.gz QSGMUBYDYXRJCB-KBPBESRZSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705911239 819588817 /nfs/dbraw/zinc/58/88/17/819588817.db2.gz PZKNDALIFHOHMQ-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377441 820555206 /nfs/dbraw/zinc/55/52/06/820555206.db2.gz RCDQPLREMLZMAH-TZMCWYRMSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134072 820905945 /nfs/dbraw/zinc/90/59/45/820905945.db2.gz ZGYRKZMGGJWMFG-RRFJBIMHSA-N 2 0 295.427 0.862 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393968 821095037 /nfs/dbraw/zinc/09/50/37/821095037.db2.gz SAQPKYOLOLIINC-UONOGXRCSA-N 2 0 293.411 0.352 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001085149572 821517873 /nfs/dbraw/zinc/51/78/73/821517873.db2.gz XPDYUBIBXGODKB-MCIONIFRSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086365227 822226508 /nfs/dbraw/zinc/22/65/08/822226508.db2.gz JHOHKKUZDBVSBE-FPCVCCKLSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076768 822236181 /nfs/dbraw/zinc/23/61/81/822236181.db2.gz QWLRWLDZEAYYIM-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083083 822254271 /nfs/dbraw/zinc/25/42/71/822254271.db2.gz MVBCNNONSXBRSF-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086477990 822273684 /nfs/dbraw/zinc/27/36/84/822273684.db2.gz FFYOHCQBFZJLSL-XUXIUFHCSA-N 2 0 265.401 0.855 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444690 837506634 /nfs/dbraw/zinc/50/66/34/837506634.db2.gz XAFCIGLSSXYDNO-ZDUSSCGKSA-N 2 0 269.389 0.235 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173740 837716423 /nfs/dbraw/zinc/71/64/23/837716423.db2.gz MTTNOUMPYMVHHD-UHFFFAOYSA-N 2 0 295.427 0.771 20 30 CCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[NH+]1CCCC1)C2 ZINC001112579049 836799329 /nfs/dbraw/zinc/79/93/29/836799329.db2.gz UOUVMGNRMWAZSU-RDJZCZTQSA-N 2 0 289.423 0.934 20 30 CCEDRP Cc1cnc(C[NH3+])n1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158163580 837951767 /nfs/dbraw/zinc/95/17/67/837951767.db2.gz XUMHEWFWDPJZAY-UHFFFAOYSA-N 2 0 282.351 0.942 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277411 838352340 /nfs/dbraw/zinc/35/23/40/838352340.db2.gz GWGCPNCBPWRAHP-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423583 838389726 /nfs/dbraw/zinc/38/97/26/838389726.db2.gz ARULLNSKOLGTNB-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132522232 838426279 /nfs/dbraw/zinc/42/62/79/838426279.db2.gz NFIACQIKDXISHU-UONOGXRCSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848643 838506368 /nfs/dbraw/zinc/50/63/68/838506368.db2.gz NQIOGONEBXNGBT-AWEZNQCLSA-N 2 0 283.416 0.768 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133294414 838590744 /nfs/dbraw/zinc/59/07/44/838590744.db2.gz ICOJWDGKFUGXRG-UHFFFAOYSA-N 2 0 292.358 0.855 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133850609 838739073 /nfs/dbraw/zinc/73/90/73/838739073.db2.gz OFNQALQWKHCFMN-AWEZNQCLSA-N 2 0 269.364 0.538 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133863791 838753936 /nfs/dbraw/zinc/75/39/36/838753936.db2.gz POOPYEZOCNWNED-OLZOCXBDSA-N 2 0 253.390 0.856 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865535 838756518 /nfs/dbraw/zinc/75/65/18/838756518.db2.gz FCPKJNSLEHHSPM-ONGXEEELSA-N 2 0 259.781 0.642 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584774 839016015 /nfs/dbraw/zinc/01/60/15/839016015.db2.gz WWIJUDBMRHKOLO-STQMWFEESA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135376002 839231608 /nfs/dbraw/zinc/23/16/08/839231608.db2.gz QDWYIAZZWQGIBS-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135377963 839232857 /nfs/dbraw/zinc/23/28/57/839232857.db2.gz FVRXGFUFBCJFHO-CHWSQXEVSA-N 2 0 298.431 0.113 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938507 839474567 /nfs/dbraw/zinc/47/45/67/839474567.db2.gz KMQFUBUXVQPUPK-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP COC(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])c(C#N)n1 ZINC001170899606 839546533 /nfs/dbraw/zinc/54/65/33/839546533.db2.gz CWHQYVPWASBZAT-NSHDSACASA-N 2 0 263.301 0.175 20 30 CCEDRP COC(=O)c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1CC#N ZINC001170905828 839557941 /nfs/dbraw/zinc/55/79/41/839557941.db2.gz WMDUIYALTXPIFZ-ZDUSSCGKSA-N 2 0 276.340 0.975 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730096 839760887 /nfs/dbraw/zinc/76/08/87/839760887.db2.gz FWZCNRDPXAFMHJ-ZIAGYGMSSA-N 2 0 293.411 0.210 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001091057807 840014613 /nfs/dbraw/zinc/01/46/13/840014613.db2.gz BZXUHKSABRGFCH-YMAMQOFZSA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171217499 840125911 /nfs/dbraw/zinc/12/59/11/840125911.db2.gz OAVUGKCUXYJROB-CQSZACIVSA-N 2 0 281.400 0.074 20 30 CCEDRP CCCCN(CC#N)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160729988 840162515 /nfs/dbraw/zinc/16/25/15/840162515.db2.gz MZNSPQUJIZOMCU-GFCCVEGCSA-N 2 0 252.362 0.466 20 30 CCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848018 840698923 /nfs/dbraw/zinc/69/89/23/840698923.db2.gz CWSNZVSOSBLEOG-ZDUSSCGKSA-N 2 0 271.405 0.625 20 30 CCEDRP COCC#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210187 840762441 /nfs/dbraw/zinc/76/24/41/840762441.db2.gz IWYLFKDYKDQSAR-UHFFFAOYSA-N 2 0 293.411 0.122 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758492 840900061 /nfs/dbraw/zinc/90/00/61/840900061.db2.gz DMRFQLIIXVFLQV-VYDXJSESSA-N 2 0 291.439 0.986 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036855283 841382896 /nfs/dbraw/zinc/38/28/96/841382896.db2.gz YOTFWNDGRILAFZ-KBPBESRZSA-N 2 0 286.379 0.898 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203355431 842706173 /nfs/dbraw/zinc/70/61/73/842706173.db2.gz UNNIILFSHSNWJH-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360107 842831966 /nfs/dbraw/zinc/83/19/66/842831966.db2.gz LBEFAHNGWQJMIC-MELADBBJSA-N 2 0 263.385 0.683 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179435817 842997219 /nfs/dbraw/zinc/99/72/19/842997219.db2.gz YRWXJDJSZSRVPZ-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179856654 843063783 /nfs/dbraw/zinc/06/37/83/843063783.db2.gz FSKIJUWGEMYOHD-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001183092335 843962024 /nfs/dbraw/zinc/96/20/24/843962024.db2.gz XUNOTJOOKKWJCP-UHFFFAOYSA-N 2 0 281.400 0.211 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106110 844646051 /nfs/dbraw/zinc/64/60/51/844646051.db2.gz BLZNAMNQATZSMV-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106111 844646135 /nfs/dbraw/zinc/64/61/35/844646135.db2.gz BLZNAMNQATZSMV-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187321502 844691648 /nfs/dbraw/zinc/69/16/48/844691648.db2.gz AYVHKHCYSAWUNE-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238767 845372456 /nfs/dbraw/zinc/37/24/56/845372456.db2.gz PTUNYCYUIBQVDH-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193954177 846187124 /nfs/dbraw/zinc/18/71/24/846187124.db2.gz SLVHGIPFBHGEGU-MCIONIFRSA-N 2 0 283.416 0.310 20 30 CCEDRP COCC#CC[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001194883413 846410714 /nfs/dbraw/zinc/41/07/14/846410714.db2.gz OZJQGDOMJYXEPA-UHFFFAOYSA-N 2 0 255.406 0.452 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001196168331 846699894 /nfs/dbraw/zinc/69/98/94/846699894.db2.gz IUXDHXJPFHDRCO-RBSFLKMASA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001196177377 846701906 /nfs/dbraw/zinc/70/19/06/846701906.db2.gz XUFPQDXZPZIDMB-RBSFLKMASA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197536116 846927894 /nfs/dbraw/zinc/92/78/94/846927894.db2.gz KEFSIMMQTDEXOV-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197954506 847008272 /nfs/dbraw/zinc/00/82/72/847008272.db2.gz DICWJXYHRMJPTF-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198274121 847085784 /nfs/dbraw/zinc/08/57/84/847085784.db2.gz AWDTWDGEWBZEGD-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128712 847226636 /nfs/dbraw/zinc/22/66/36/847226636.db2.gz SMANOGWKEXPCQG-RBSFLKMASA-N 2 0 295.427 0.454 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200737389 847686511 /nfs/dbraw/zinc/68/65/11/847686511.db2.gz NGAJLZADCQQXPC-GJZGRUSLSA-N 2 0 295.427 0.413 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864366 847819715 /nfs/dbraw/zinc/81/97/15/847819715.db2.gz WEVGPOFVWXLBPH-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110692998 847970166 /nfs/dbraw/zinc/97/01/66/847970166.db2.gz ZUCOMXSCMIJLLR-KBXIAJHMSA-N 2 0 277.412 0.927 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001252486583 847984833 /nfs/dbraw/zinc/98/48/33/847984833.db2.gz FDXHLYQXGBWRSX-OAHLLOKOSA-N 2 0 286.416 0.640 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504169 848002702 /nfs/dbraw/zinc/00/27/02/848002702.db2.gz RAQYWLGSULBSFM-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000512 848025877 /nfs/dbraw/zinc/02/58/77/848025877.db2.gz GYAPPADPFITAIC-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+](C)C1CC1 ZINC000884210829 848212465 /nfs/dbraw/zinc/21/24/65/848212465.db2.gz KVTGKFXXHPHJAS-OPXGVBIBSA-N 2 0 290.411 0.725 20 30 CCEDRP N#Cc1ccc2cc(CN3CC[C@@H]([NH3+])[C@H](O)C3)[nH]c2c1 ZINC001205983195 848277278 /nfs/dbraw/zinc/27/72/78/848277278.db2.gz OIRSRVAAZYKAON-UKRRQHHQSA-N 2 0 270.336 0.933 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001274047731 848319974 /nfs/dbraw/zinc/31/99/74/848319974.db2.gz GHFXWDFUWKCJMO-PLNGDYQASA-N 2 0 286.379 0.657 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001274918988 848593939 /nfs/dbraw/zinc/59/39/39/848593939.db2.gz HOKBKADXMSFGEY-CQSZACIVSA-N 2 0 297.443 0.708 20 30 CCEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001274985834 848608207 /nfs/dbraw/zinc/60/82/07/848608207.db2.gz HLHIUSZCPLYGET-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275144246 848650255 /nfs/dbraw/zinc/65/02/55/848650255.db2.gz WJNUNALWCKLOIV-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001275231678 848673453 /nfs/dbraw/zinc/67/34/53/848673453.db2.gz GMFVPDSTEATXMJ-ZDUSSCGKSA-N 2 0 297.362 0.999 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275361657 848699054 /nfs/dbraw/zinc/69/90/54/848699054.db2.gz SWWWCZNVASRRIY-ZDUSSCGKSA-N 2 0 291.399 0.176 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001275731221 848803279 /nfs/dbraw/zinc/80/32/79/848803279.db2.gz ZXOKWVYXXBXWKK-AWEZNQCLSA-N 2 0 283.416 0.413 20 30 CCEDRP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980917 849037138 /nfs/dbraw/zinc/03/71/38/849037138.db2.gz AQJQDRPOFHLDGG-KFWWJZLASA-N 2 0 295.427 0.862 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnc1 ZINC001114652635 849347576 /nfs/dbraw/zinc/34/75/76/849347576.db2.gz QTLYSQPQUCVZNV-NHAGDIPZSA-N 2 0 274.368 0.896 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794232 849396864 /nfs/dbraw/zinc/39/68/64/849396864.db2.gz DYQAZUFFELFFSX-CBBWQLFWSA-N 2 0 277.412 0.642 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828865 850507346 /nfs/dbraw/zinc/50/73/46/850507346.db2.gz JKSKANJXVVXEDH-GOEBONIOSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044733826 851151474 /nfs/dbraw/zinc/15/14/74/851151474.db2.gz RQYZROFDAAAADT-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046322902 851463706 /nfs/dbraw/zinc/46/37/06/851463706.db2.gz DMEDUUYXJBOUKF-DOTOQJQBSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047527279 851802551 /nfs/dbraw/zinc/80/25/51/851802551.db2.gz AUBQAFJIJXMQDD-RDBSUJKOSA-N 2 0 281.400 0.160 20 30 CCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047528619 851804668 /nfs/dbraw/zinc/80/46/68/851804668.db2.gz URNOUOPHOJNMGY-KKUMJFAQSA-N 2 0 295.427 0.550 20 30 CCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553555 851812467 /nfs/dbraw/zinc/81/24/67/851812467.db2.gz KWUMATKGJKVLOM-GJZGRUSLSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048724250 852032289 /nfs/dbraw/zinc/03/22/89/852032289.db2.gz XGISVBNWVBAFLL-ZNMIVQPWSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048864343 852090973 /nfs/dbraw/zinc/09/09/73/852090973.db2.gz XFXCMRNUUKGRJA-ZNMIVQPWSA-N 2 0 275.396 0.350 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060175 852153875 /nfs/dbraw/zinc/15/38/75/852153875.db2.gz OIEICIBRMPTIJG-WCVJEAGWSA-N 2 0 289.423 0.598 20 30 CCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173080 852182937 /nfs/dbraw/zinc/18/29/37/852182937.db2.gz HYHWSPTVKRQKAN-OKILXGFUSA-N 2 0 275.396 0.658 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231871 852200737 /nfs/dbraw/zinc/20/07/37/852200737.db2.gz NJGLZGYJVXWLOZ-YHUYYLMFSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096538272 852295162 /nfs/dbraw/zinc/29/51/62/852295162.db2.gz DEAIBDWAURDKLW-KBXIAJHMSA-N 2 0 275.396 0.683 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050460301 853378943 /nfs/dbraw/zinc/37/89/43/853378943.db2.gz UVAJBDWRVVZSLN-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001050563366 853398850 /nfs/dbraw/zinc/39/88/50/853398850.db2.gz JOVLOPVLIUZYBO-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001050732132 853420809 /nfs/dbraw/zinc/42/08/09/853420809.db2.gz HJOCNYZKVPXNMD-UHFFFAOYSA-N 2 0 287.407 0.640 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394426 853746018 /nfs/dbraw/zinc/74/60/18/853746018.db2.gz XNFKJTSHQYMMHM-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001052394423 853746986 /nfs/dbraw/zinc/74/69/86/853746986.db2.gz XNFKJTSHQYMMHM-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072981459 854508114 /nfs/dbraw/zinc/50/81/14/854508114.db2.gz IDNRQQRARVXEIA-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073125634 854535046 /nfs/dbraw/zinc/53/50/46/854535046.db2.gz CRLOBBAHUFNMJM-CQSZACIVSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753399 854640143 /nfs/dbraw/zinc/64/01/43/854640143.db2.gz WDLXJAVOMKCEPP-OAHLLOKOSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081457 855094867 /nfs/dbraw/zinc/09/48/67/855094867.db2.gz SRUVJSYOFDOFAV-HUUCEWRRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132192 855104717 /nfs/dbraw/zinc/10/47/17/855104717.db2.gz POJNWSNNBGQTFD-KGLIPLIRSA-N 2 0 283.416 0.454 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001100447235 855171210 /nfs/dbraw/zinc/17/12/10/855171210.db2.gz UGWRXEZQKRICNL-NRXISQOPSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100651860 855203511 /nfs/dbraw/zinc/20/35/11/855203511.db2.gz MWCDUHFNEULWRK-JXQTWKCFSA-N 2 0 265.401 0.690 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718854 855528095 /nfs/dbraw/zinc/52/80/95/855528095.db2.gz HOZLJVAUHQCYIE-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111855031 855600834 /nfs/dbraw/zinc/60/08/34/855600834.db2.gz ZXDIGDVWKFVIPR-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC001118335942 856267065 /nfs/dbraw/zinc/26/70/65/856267065.db2.gz YDTYFTNHHBMKNA-FEXCLKTESA-N 2 0 278.356 0.372 20 30 CCEDRP C[C@@H](CCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001119300370 856621269 /nfs/dbraw/zinc/62/12/69/856621269.db2.gz ZWJWUMOTXPXDFA-ATWGWHJKSA-N 2 0 264.373 0.369 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC001119304185 856624063 /nfs/dbraw/zinc/62/40/63/856624063.db2.gz IVDSUEGFAGPNKR-KGLIPLIRSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816246 912251072 /nfs/dbraw/zinc/25/10/72/912251072.db2.gz DTBWDAJFXBLJTG-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](CC#C)CC1 ZINC001324439871 912845223 /nfs/dbraw/zinc/84/52/23/912845223.db2.gz MHSABPZHVNPYKD-UHFFFAOYSA-N 2 0 289.423 0.888 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001324992869 913135439 /nfs/dbraw/zinc/13/54/39/913135439.db2.gz QRZVPNMWIPHKBR-ZDUSSCGKSA-N 2 0 281.400 0.522 20 30 CCEDRP CC#CC[N@@H+](C)CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001266280911 891417550 /nfs/dbraw/zinc/41/75/50/891417550.db2.gz YOLXBKQBWVBONN-ZDUSSCGKSA-N 2 0 271.380 0.738 20 30 CCEDRP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001284558167 893618913 /nfs/dbraw/zinc/61/89/13/893618913.db2.gz JUBSDUXREZCWIT-AWEZNQCLSA-N 2 0 265.401 0.740 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482899860 894672230 /nfs/dbraw/zinc/67/22/30/894672230.db2.gz XMWZFBGIWYPHNQ-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483140328 895020465 /nfs/dbraw/zinc/02/04/65/895020465.db2.gz LXZZKGIEPNDYMW-CYBMUJFWSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160820 895042153 /nfs/dbraw/zinc/04/21/53/895042153.db2.gz LEHYXVVYDPJGTH-RDBSUJKOSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001484236853 896269526 /nfs/dbraw/zinc/26/95/26/896269526.db2.gz SHSMHLYGGPJGED-ZBFHGGJFSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001484679257 896536239 /nfs/dbraw/zinc/53/62/39/896536239.db2.gz AETXWYGZCSUICX-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484855816 896634577 /nfs/dbraw/zinc/63/45/77/896634577.db2.gz QKBGJQQCDAGQFP-MRXNPFEDSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001484897349 896658702 /nfs/dbraw/zinc/65/87/02/896658702.db2.gz KEWAVNDYKFGSER-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001484903398 896662484 /nfs/dbraw/zinc/66/24/84/896662484.db2.gz AISVPOOIFMQDLU-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485303016 896946062 /nfs/dbraw/zinc/94/60/62/896946062.db2.gz OYGKDEDVULPBGJ-GXTWGEPZSA-N 2 0 265.401 0.951 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001485382464 897008699 /nfs/dbraw/zinc/00/86/99/897008699.db2.gz FLDMFQAIDRMMGT-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001485715879 897199011 /nfs/dbraw/zinc/19/90/11/897199011.db2.gz IPFGVVKRAQSAGV-KGLIPLIRSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407428 897472406 /nfs/dbraw/zinc/47/24/06/897472406.db2.gz DRMWKENTINHIGB-KKUMJFAQSA-N 2 0 273.380 0.247 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCN1CCOCC1 ZINC001032684267 897929862 /nfs/dbraw/zinc/92/98/62/897929862.db2.gz IMJHIRDBWKDTEG-GJZGRUSLSA-N 2 0 293.411 0.570 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001486065350 898632732 /nfs/dbraw/zinc/63/27/32/898632732.db2.gz FWJOONLPOGDTSB-ZDUSSCGKSA-N 2 0 269.389 0.115 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001486065412 898633090 /nfs/dbraw/zinc/63/30/90/898633090.db2.gz GPPZBHBXCUXGFV-LSDHHAIUSA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001486308079 898771747 /nfs/dbraw/zinc/77/17/47/898771747.db2.gz AGXYPRPPVHEXDC-CQSZACIVSA-N 2 0 299.459 0.949 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001486356631 898815824 /nfs/dbraw/zinc/81/58/24/898815824.db2.gz PFOYQGDZUTVHEL-ZIAGYGMSSA-N 2 0 283.416 0.265 20 30 CCEDRP C=CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001486515375 898918637 /nfs/dbraw/zinc/91/86/37/898918637.db2.gz VZQKWJKWQAMXGZ-UHFFFAOYSA-N 2 0 251.374 0.872 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC001327033589 914326254 /nfs/dbraw/zinc/32/62/54/914326254.db2.gz DBXCXLKLMYKPJW-AWEZNQCLSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001327050049 914338603 /nfs/dbraw/zinc/33/86/03/914338603.db2.gz VHYBIVZZFFDWDM-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC001327131639 914391465 /nfs/dbraw/zinc/39/14/65/914391465.db2.gz SKMAGSZJGNWHPO-LLVKDONJSA-N 2 0 252.362 0.643 20 30 CCEDRP C#CCN1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001488683175 900342787 /nfs/dbraw/zinc/34/27/87/900342787.db2.gz AEXOOBVBKKOMBQ-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490728026 900703429 /nfs/dbraw/zinc/70/34/29/900703429.db2.gz ILGYNHAEBZHVOD-AWEZNQCLSA-N 2 0 275.396 0.590 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490741532 900713045 /nfs/dbraw/zinc/71/30/45/900713045.db2.gz VSVYMZJJOKQEJB-CYBMUJFWSA-N 2 0 251.374 0.753 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001490742554 900718181 /nfs/dbraw/zinc/71/81/81/900718181.db2.gz QAVRFNGEAOZAAA-CQSZACIVSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320531076 900930658 /nfs/dbraw/zinc/93/06/58/900930658.db2.gz XMPVLQZLPXDKQH-RDBSUJKOSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001490842169 902132661 /nfs/dbraw/zinc/13/26/61/902132661.db2.gz ITZNHONPDXTOEA-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001491061617 903315842 /nfs/dbraw/zinc/31/58/42/903315842.db2.gz PSSKBHSTPXLAJQ-GASCZTMLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331531129 903995083 /nfs/dbraw/zinc/99/50/83/903995083.db2.gz PPQAPNWMSHYMAA-RDBSUJKOSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001280632176 904131074 /nfs/dbraw/zinc/13/10/74/904131074.db2.gz WGIAHRULPWFRJC-SOUVJXGZSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757043 904147178 /nfs/dbraw/zinc/14/71/78/904147178.db2.gz SILSUBYICYBJNR-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001281184434 904239029 /nfs/dbraw/zinc/23/90/29/904239029.db2.gz JXAKBEFEWBHMPG-GDBMZVCRSA-N 2 0 295.427 0.457 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281643287 904318759 /nfs/dbraw/zinc/31/87/59/904318759.db2.gz TVFOISHGDXGDRJ-AWEZNQCLSA-N 2 0 295.427 0.457 20 30 CCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001282449334 904478995 /nfs/dbraw/zinc/47/89/95/904478995.db2.gz KAFJLHVOUOUFEQ-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001282914764 904599700 /nfs/dbraw/zinc/59/97/00/904599700.db2.gz LKLZAEPBFIFQPQ-KBPBESRZSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001283715741 904972062 /nfs/dbraw/zinc/97/20/62/904972062.db2.gz VVJOSCUIGKLVIY-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC001335790074 907074901 /nfs/dbraw/zinc/07/49/01/907074901.db2.gz ZXRFVCSDTRLXRT-UPJWGTAASA-N 2 0 264.373 0.560 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491617874 907450626 /nfs/dbraw/zinc/45/06/26/907450626.db2.gz LPCXKVJGAHEQPP-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491759035 907551937 /nfs/dbraw/zinc/55/19/37/907551937.db2.gz JRXYEFZHDXLCSC-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492257634 907809983 /nfs/dbraw/zinc/80/99/83/907809983.db2.gz RXEOHPPLMVOOLV-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001317244767 907995540 /nfs/dbraw/zinc/99/55/40/907995540.db2.gz MEMLTULSDPODNF-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317529559 909295747 /nfs/dbraw/zinc/29/57/47/909295747.db2.gz YKPGEVJAQVHFSV-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587596 909387787 /nfs/dbraw/zinc/38/77/87/909387787.db2.gz OZCUBJPZAAHIJH-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317808787 909505169 /nfs/dbraw/zinc/50/51/69/909505169.db2.gz HTQBCLCMRYYIMI-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001318507443 909786881 /nfs/dbraw/zinc/78/68/81/909786881.db2.gz RAZSWVPKYZJVLK-UONOGXRCSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001319551235 910200765 /nfs/dbraw/zinc/20/07/65/910200765.db2.gz MYKCBNMUVMKNQB-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320755124 910845682 /nfs/dbraw/zinc/84/56/82/910845682.db2.gz AQYIHOPGWFFLNV-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC1 ZINC001322999915 912063721 /nfs/dbraw/zinc/06/37/21/912063721.db2.gz KCKXUYJJYFKCBP-RRFJBIMHSA-N 2 0 277.412 0.834 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001328362847 915140821 /nfs/dbraw/zinc/14/08/21/915140821.db2.gz MNAORLNDZPEVQN-UONOGXRCSA-N 2 0 288.395 0.953 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001330990083 917006862 /nfs/dbraw/zinc/00/68/62/917006862.db2.gz WUPABYKUDRSZEU-HNNXBMFYSA-N 2 0 289.423 0.839 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331004617 917018589 /nfs/dbraw/zinc/01/85/89/917018589.db2.gz GSZHFOJKNITBBG-GHMZBOCLSA-N 2 0 288.342 0.759 20 30 CCEDRP C#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001331122835 917105909 /nfs/dbraw/zinc/10/59/09/917105909.db2.gz LXLDMECEKHIEEU-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)CCC ZINC001331611511 917449704 /nfs/dbraw/zinc/44/97/04/917449704.db2.gz JCHPDYZCIWIJKV-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001332156181 917915193 /nfs/dbraw/zinc/91/51/93/917915193.db2.gz IPZXZSUNNGBQJZ-RYUDHWBXSA-N 2 0 252.362 0.466 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001332679474 918374808 /nfs/dbraw/zinc/37/48/08/918374808.db2.gz ZPJHTQACSQQKQZ-CQSZACIVSA-N 2 0 295.427 0.409 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001332928827 918538545 /nfs/dbraw/zinc/53/85/45/918538545.db2.gz NLCWVWYSFWEQHJ-RYUDHWBXSA-N 2 0 252.362 0.595 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492973523 920025825 /nfs/dbraw/zinc/02/58/25/920025825.db2.gz GQYYPZPHKPXLMS-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001335366420 920151391 /nfs/dbraw/zinc/15/13/91/920151391.db2.gz GXJOWCPDVHSFJG-CYBMUJFWSA-N 2 0 251.374 0.973 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336004718 920559510 /nfs/dbraw/zinc/55/95/10/920559510.db2.gz WOUNAXNQOBKROF-AULYBMBSSA-N 2 0 266.389 0.673 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC001340042128 921928048 /nfs/dbraw/zinc/92/80/48/921928048.db2.gz SKSGDUFVXFTXLP-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001340107344 921959624 /nfs/dbraw/zinc/95/96/24/921959624.db2.gz XYRMMHAVXRXGGM-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CCO[C@H](C)C1 ZINC001340838255 922232660 /nfs/dbraw/zinc/23/26/60/922232660.db2.gz HYBNHRPEKQTDAE-OLZOCXBDSA-N 2 0 269.389 0.507 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001341016198 922316223 /nfs/dbraw/zinc/31/62/23/922316223.db2.gz XLQCKKCLZLBXOA-FBIMIBRVSA-N 2 0 259.781 0.818 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341272702 922404638 /nfs/dbraw/zinc/40/46/38/922404638.db2.gz VINQGQJCOKOQOJ-QJPTWQEYSA-N 2 0 250.346 0.075 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358093827 926634298 /nfs/dbraw/zinc/63/42/98/926634298.db2.gz FOYIKSZOSMEGLY-IEBDPFPHSA-N 2 0 259.781 0.900 20 30 CCEDRP N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000600769313 362058905 /nfs/dbraw/zinc/05/89/05/362058905.db2.gz MARVJXWRNUVKLN-GFCCVEGCSA-N 2 0 260.341 0.631 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000602592669 362697898 /nfs/dbraw/zinc/69/78/98/362697898.db2.gz JRRCGUXINCXRTN-ZIAGYGMSSA-N 2 0 278.400 0.950 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+](CC)CC)CC1 ZINC000063696740 348689410 /nfs/dbraw/zinc/68/94/10/348689410.db2.gz LZGCLAROVOQRNB-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC=C)CC1 ZINC000296372866 353944631 /nfs/dbraw/zinc/94/46/31/353944631.db2.gz KAPNBGXQLXKYSD-UHFFFAOYSA-N 2 0 292.427 0.891 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437834 360307704 /nfs/dbraw/zinc/30/77/04/360307704.db2.gz KZMCVOVKAXODGO-FRRDWIJNSA-N 2 0 266.389 0.997 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441802 360310489 /nfs/dbraw/zinc/31/04/89/360310489.db2.gz XABHJZCQBLQGKI-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000594444396 360311895 /nfs/dbraw/zinc/31/18/95/360311895.db2.gz QWHFMLROYSUCNL-DCAQKATOSA-N 2 0 256.325 0.214 20 30 CCEDRP C=CC[C@]1(C(=O)N(C)CCOCC[NH3+])CCC[NH2+]1 ZINC000638671283 375274655 /nfs/dbraw/zinc/27/46/55/375274655.db2.gz XBUXBVJVIQLABI-CYBMUJFWSA-N 2 0 255.362 0.118 20 30 CCEDRP CC[NH+](CC)CC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089674967 284624386 /nfs/dbraw/zinc/62/43/86/284624386.db2.gz HYPWVJUFLHDZCY-UHFFFAOYSA-N 2 0 292.387 0.714 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(CC#N)CC1 ZINC000574825039 335050953 /nfs/dbraw/zinc/05/09/53/335050953.db2.gz FWQFGNXQVTWXGE-UHFFFAOYSA-N 2 0 295.431 0.815 20 30 CCEDRP C=CCNC(=O)CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000575049678 335058962 /nfs/dbraw/zinc/05/89/62/335058962.db2.gz KNFUKCRQGWLTTA-HNNXBMFYSA-N 2 0 294.443 0.296 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228472634 389153995 /nfs/dbraw/zinc/15/39/95/389153995.db2.gz ZNEPSNUOLSUNRR-WUHRBBMRSA-N 2 0 251.374 0.736 20 30 CCEDRP CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330535207 389238955 /nfs/dbraw/zinc/23/89/55/389238955.db2.gz VEDFDVWRLLXMDR-UHFFFAOYSA-N 2 0 270.377 0.310 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152437029 389290705 /nfs/dbraw/zinc/29/07/05/389290705.db2.gz REKXIXYQDWBBJF-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329789 389984333 /nfs/dbraw/zinc/98/43/33/389984333.db2.gz HKFQDTSFJOBHMT-UPJWGTAASA-N 2 0 294.399 0.318 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000420345910 389987191 /nfs/dbraw/zinc/98/71/91/389987191.db2.gz VXXWYZKUFNJTNG-MJBXVCDLSA-N 2 0 263.385 0.705 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361101 412039048 /nfs/dbraw/zinc/03/90/48/412039048.db2.gz YKGIBQLMGCBCCF-BFHYXJOUSA-N 2 0 281.400 0.649 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662415090 414716039 /nfs/dbraw/zinc/71/60/39/414716039.db2.gz ABFOCWHDSULWMU-MBNYWOFBSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]1 ZINC000662780749 414787418 /nfs/dbraw/zinc/78/74/18/414787418.db2.gz UCUQVSRFBHREIQ-IUODEOHRSA-N 2 0 263.385 0.943 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662944988 414908216 /nfs/dbraw/zinc/90/82/16/414908216.db2.gz FJFHLYFFIBWWHW-NQBHXWOUSA-N 2 0 255.337 0.582 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906367 414885251 /nfs/dbraw/zinc/88/52/51/414885251.db2.gz IYAQAVZOVJKUHJ-ZBFHGGJFSA-N 2 0 292.427 0.191 20 30 CCEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CC[N@H+](C)C1 ZINC000157255242 261143142 /nfs/dbraw/zinc/14/31/42/261143142.db2.gz SYGBNQPVTHDIKH-GFCCVEGCSA-N 2 0 279.388 0.908 20 30 CCEDRP N#CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274667579 263028900 /nfs/dbraw/zinc/02/89/00/263028900.db2.gz KQNNIWUQOYENOB-UHFFFAOYSA-N 2 0 287.367 0.624 20 30 CCEDRP C[C@H]1C[NH+]=C(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)N1 ZINC000285025639 263089322 /nfs/dbraw/zinc/08/93/22/263089322.db2.gz JKHDAKADJJXRQD-WFASDCNBSA-N 2 0 288.395 0.343 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357077274 266243705 /nfs/dbraw/zinc/24/37/05/266243705.db2.gz AMCIKNBAGNNEOV-JSGCOSHPSA-N 2 0 265.401 0.999 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261943724 328143399 /nfs/dbraw/zinc/14/33/99/328143399.db2.gz FDIMQQAGLQPAQC-SMDDNHRTSA-N 2 0 290.415 0.568 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278390579 328225086 /nfs/dbraw/zinc/22/50/86/328225086.db2.gz ZWQIVWURBXVCPR-CYBMUJFWSA-N 2 0 291.399 0.979 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000334888282 328561567 /nfs/dbraw/zinc/56/15/67/328561567.db2.gz ANMGVESPBBNHMP-UONOGXRCSA-N 2 0 292.427 0.888 20 30 CCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262303973 330005167 /nfs/dbraw/zinc/00/51/67/330005167.db2.gz OIYQTPQCGZIGRV-ZDUSSCGKSA-N 2 0 295.431 0.210 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+](C)C)CCOCC1 ZINC000262467910 330015209 /nfs/dbraw/zinc/01/52/09/330015209.db2.gz YLLCPNPUMUVBDU-CYBMUJFWSA-N 2 0 298.431 0.441 20 30 CCEDRP C#CCNC(NCCN1CCOC(C)(C)C1)=[NH+]CC ZINC000262619625 330023218 /nfs/dbraw/zinc/02/32/18/330023218.db2.gz OIMCFCBWLGLALY-UHFFFAOYSA-N 2 0 266.389 0.286 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262764864 330029834 /nfs/dbraw/zinc/02/98/34/330029834.db2.gz FVMCPJNTNCDAHV-ZDUSSCGKSA-N 2 0 278.400 0.423 20 30 CCEDRP CC[NH+]=C(NCC(C)C)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262774603 330030685 /nfs/dbraw/zinc/03/06/85/330030685.db2.gz IVHMLUFOXLJPFP-CYBMUJFWSA-N 2 0 267.421 0.197 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000424127013 330259204 /nfs/dbraw/zinc/25/92/04/330259204.db2.gz CNYWAJUZDNBWDS-CQSZACIVSA-N 2 0 278.400 0.998 20 30 CCEDRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424144216 330289659 /nfs/dbraw/zinc/28/96/59/330289659.db2.gz KTUYQPPERNXOQG-AGIUHOORSA-N 2 0 264.373 0.703 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000424152650 330298285 /nfs/dbraw/zinc/29/82/85/330298285.db2.gz JSFCAYRDHAXFQM-ZIAGYGMSSA-N 2 0 278.400 0.998 20 30 CCEDRP C#CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000080565255 330365069 /nfs/dbraw/zinc/36/50/69/330365069.db2.gz UEHIPLNEFRAETC-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C[C@@H]1[C@H](O)CCC[NH+]1CC#CC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000451451133 331030059 /nfs/dbraw/zinc/03/00/59/331030059.db2.gz FDXYINNKWXOSMO-KLHDSHLOSA-N 2 0 280.412 0.680 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000490614941 332095481 /nfs/dbraw/zinc/09/54/81/332095481.db2.gz CHJGRBMFEODDCF-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000490650997 332099815 /nfs/dbraw/zinc/09/98/15/332099815.db2.gz PLNTYSMRCKCGOD-INIZCTEOSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000490761059 332113310 /nfs/dbraw/zinc/11/33/10/332113310.db2.gz RGEVQHDNBVTWDZ-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000491201282 332164156 /nfs/dbraw/zinc/16/41/56/332164156.db2.gz GDMIAWQWXMNTNU-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+](C)CCCNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000491683242 332285706 /nfs/dbraw/zinc/28/57/06/332285706.db2.gz XHDZQFAMYOPDHS-AWEZNQCLSA-N 2 0 296.484 0.890 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000492092045 332382404 /nfs/dbraw/zinc/38/24/04/332382404.db2.gz WCMIODPXTJIDMP-VOTSOKGWSA-N 2 0 263.385 0.708 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000174952849 333011427 /nfs/dbraw/zinc/01/14/27/333011427.db2.gz BRORUQYJYXMNSZ-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000179033475 333079223 /nfs/dbraw/zinc/07/92/23/333079223.db2.gz FGJJJHMIWAHQHL-OAHLLOKOSA-N 2 0 298.431 0.249 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241510 333529464 /nfs/dbraw/zinc/52/94/64/333529464.db2.gz QNEYAOZTZATOAJ-HIFRSBDPSA-N 2 0 295.427 0.768 20 30 CCEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000577055531 335292035 /nfs/dbraw/zinc/29/20/35/335292035.db2.gz RCJFDVAAZAIDDI-HUUCEWRRSA-N 2 0 282.432 0.514 20 30 CCEDRP C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581121026 336010985 /nfs/dbraw/zinc/01/09/85/336010985.db2.gz CIIPPFRHKJNNDD-UPJWGTAASA-N 2 0 282.388 0.004 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000754227406 581581113 /nfs/dbraw/zinc/58/11/13/581581113.db2.gz WZLSNFQFNVSJFF-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC)CC1 ZINC000732095303 581802479 /nfs/dbraw/zinc/80/24/79/581802479.db2.gz DBLPUPWMSJWZGM-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C[NH+]1CCN(c2ccc(C=[NH+]OCC(N)=O)cc2)CC1 ZINC000771575862 581809970 /nfs/dbraw/zinc/80/99/70/581809970.db2.gz MJPGECLMPBKJHY-UHFFFAOYSA-N 2 0 276.340 0.274 20 30 CCEDRP CC(=NNC(N)=[NH2+])c1ccc(OCC[NH+](C)C)cc1 ZINC000748134112 581963324 /nfs/dbraw/zinc/96/33/24/581963324.db2.gz LMZOGNAKJPFAIF-UHFFFAOYSA-N 2 0 263.345 0.834 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000764310529 582041687 /nfs/dbraw/zinc/04/16/87/582041687.db2.gz KZCCWLJRNMJWAH-UHFFFAOYSA-N 2 0 295.427 0.675 20 30 CCEDRP C#CCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000776592581 582083027 /nfs/dbraw/zinc/08/30/27/582083027.db2.gz JWSNXVSABHSIFN-HNNXBMFYSA-N 2 0 265.401 0.084 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000876998230 613389190 /nfs/dbraw/zinc/38/91/90/613389190.db2.gz LOGAYVZWGIOBNK-WDEREUQCSA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000876739019 613390233 /nfs/dbraw/zinc/39/02/33/613390233.db2.gz BKSHDFQTCDTICF-MNOVXSKESA-N 2 0 259.781 0.914 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000968966832 612960463 /nfs/dbraw/zinc/96/04/63/612960463.db2.gz DUDRLKDBEUFYKA-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944168207 613025570 /nfs/dbraw/zinc/02/55/70/613025570.db2.gz HPHBHBQYADKWGV-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961955277 613042835 /nfs/dbraw/zinc/04/28/35/613042835.db2.gz ILFAMSFHVHBQPY-QLPKVWCKSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000895057247 613073418 /nfs/dbraw/zinc/07/34/18/613073418.db2.gz TXKADYRIRIECEB-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH+](C)C)CC1 ZINC000920444581 613130327 /nfs/dbraw/zinc/13/03/27/613130327.db2.gz KCFPWRKEBBJLAP-GFCCVEGCSA-N 2 0 251.374 0.398 20 30 CCEDRP C[NH+]=C(NCC(=O)NCC[NH+]1CCCCCC1)NC1CC1 ZINC000849030670 613218950 /nfs/dbraw/zinc/21/89/50/613218950.db2.gz MJMIAAAUPBWXAA-UHFFFAOYSA-N 2 0 295.431 0.306 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC1 ZINC000849034445 613219805 /nfs/dbraw/zinc/21/98/05/613219805.db2.gz VTJWKWAMBVRDSN-LBPRGKRZSA-N 2 0 254.378 0.161 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000901146422 613364060 /nfs/dbraw/zinc/36/40/60/613364060.db2.gz JEWGBJXVTLLZMN-AWEZNQCLSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000900691827 613364899 /nfs/dbraw/zinc/36/48/99/613364899.db2.gz BJKLREXBDFUGLM-CQSZACIVSA-N 2 0 296.459 0.494 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000876781864 613388208 /nfs/dbraw/zinc/38/82/08/613388208.db2.gz KKIYFNLEVVTYNQ-VXGBXAGGSA-N 2 0 288.823 0.208 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000876878549 613389010 /nfs/dbraw/zinc/38/90/10/613389010.db2.gz GFBWGVQBVYWBTF-NSHDSACASA-N 2 0 277.796 0.493 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000876948067 613389673 /nfs/dbraw/zinc/38/96/73/613389673.db2.gz DSDJZBRUHSXBSC-OUAUKWLOSA-N 2 0 275.780 0.279 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000876827276 613389701 /nfs/dbraw/zinc/38/97/01/613389701.db2.gz MYJNSSRNLRVEOJ-AXFHLTTASA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000876798325 613389771 /nfs/dbraw/zinc/38/97/71/613389771.db2.gz GPFNPESMEQGFKH-JTQLQIEISA-N 2 0 259.781 0.962 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413786 613586492 /nfs/dbraw/zinc/58/64/92/613586492.db2.gz HCKWFAHNALRJOX-SYQHCUMBSA-N 2 0 295.383 0.180 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429597 613591304 /nfs/dbraw/zinc/59/13/04/613591304.db2.gz YTZMZQSFAGBICE-XFMPKHEZSA-N 2 0 282.384 0.526 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971205347 613614507 /nfs/dbraw/zinc/61/45/07/613614507.db2.gz USZXBVHZHQEWIR-OLZOCXBDSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844183300 613674200 /nfs/dbraw/zinc/67/42/00/613674200.db2.gz WNHUWIHWKPIOGD-AWEZNQCLSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978368323 613834573 /nfs/dbraw/zinc/83/45/73/613834573.db2.gz NKXPLYJKRXPNAS-XQLPTFJDSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978368312 613835028 /nfs/dbraw/zinc/83/50/28/613835028.db2.gz NKXPLYJKRXPNAS-APIJFGDWSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961660984 613837931 /nfs/dbraw/zinc/83/79/31/613837931.db2.gz ZBWISAGHAURONM-WDNDVIMCSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959921101 613839147 /nfs/dbraw/zinc/83/91/47/613839147.db2.gz LXRAWWAKWNTWMG-KBXIAJHMSA-N 2 0 275.396 0.561 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000969948824 613863597 /nfs/dbraw/zinc/86/35/97/613863597.db2.gz LHGDASQYEKTBFS-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000969099038 613865233 /nfs/dbraw/zinc/86/52/33/613865233.db2.gz KIMXLVPXZNJAHB-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000968714168 613867341 /nfs/dbraw/zinc/86/73/41/613867341.db2.gz FXGXZSAHAGRISV-CYBMUJFWSA-N 2 0 291.399 0.435 20 30 CCEDRP C=CCOCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596452 613880532 /nfs/dbraw/zinc/88/05/32/613880532.db2.gz LQRJYPWLSNZICW-UHFFFAOYSA-N 2 0 267.417 0.901 20 30 CCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884033865 614188628 /nfs/dbraw/zinc/18/86/28/614188628.db2.gz VNBWRCXKGFQSAN-FMPXUHTOSA-N 2 0 278.400 0.615 20 30 CCEDRP CC(C)C[C@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852796792 614214835 /nfs/dbraw/zinc/21/48/35/614214835.db2.gz HNFCFUUYGSQODS-CYBMUJFWSA-N 2 0 251.374 0.479 20 30 CCEDRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500008 614237665 /nfs/dbraw/zinc/23/76/65/614237665.db2.gz PRGFXFPHBWCJKW-YUTCNCBUSA-N 2 0 294.399 0.007 20 30 CCEDRP CC[N@H+](C)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869647 614880120 /nfs/dbraw/zinc/88/01/20/614880120.db2.gz JGROWBDEMSAHKO-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000877146159 615760227 /nfs/dbraw/zinc/76/02/27/615760227.db2.gz UBJLWLDZYDZWOZ-OAHLLOKOSA-N 2 0 275.396 0.542 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000913523652 615859977 /nfs/dbraw/zinc/85/99/77/615859977.db2.gz HLWLOIYDCKKITO-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452243 616215565 /nfs/dbraw/zinc/21/55/65/616215565.db2.gz VDPLSBRYNBSSLD-GJZGRUSLSA-N 2 0 275.396 0.685 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000870981003 616326083 /nfs/dbraw/zinc/32/60/83/616326083.db2.gz FDOLUKZCMPRSAC-MCIONIFRSA-N 2 0 278.400 0.950 20 30 CCEDRP C[NH2+]C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876529193 616935171 /nfs/dbraw/zinc/93/51/71/616935171.db2.gz FEXAXCAUHHXXMQ-MRXNPFEDSA-N 2 0 298.390 0.955 20 30 CCEDRP C[NH2+]C[C@@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876978711 616976802 /nfs/dbraw/zinc/97/68/02/616976802.db2.gz TYPJDDKCMFKNFQ-YGRLFVJLSA-N 2 0 272.352 0.469 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022716816 622693743 /nfs/dbraw/zinc/69/37/43/622693743.db2.gz JCGNXJUOXORPKJ-FQUUOJAGSA-N 2 0 265.401 0.997 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023291112 622983280 /nfs/dbraw/zinc/98/32/80/622983280.db2.gz FASCOFXYHCZUDR-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024441268 623325073 /nfs/dbraw/zinc/32/50/73/623325073.db2.gz CHMAPWRTLCZVQX-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006920326 623493852 /nfs/dbraw/zinc/49/38/52/623493852.db2.gz YCLYJOLLZGHXIY-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020589976 624544525 /nfs/dbraw/zinc/54/45/25/624544525.db2.gz JCGNXJUOXORPKJ-SYQHCUMBSA-N 2 0 265.401 0.997 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022490761 625008402 /nfs/dbraw/zinc/00/84/02/625008402.db2.gz OQKVLASOJPMXTM-QLFBSQMISA-N 2 0 275.396 0.731 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001027465278 625896947 /nfs/dbraw/zinc/89/69/47/625896947.db2.gz UFEDDMAOOSJBHO-QLFBSQMISA-N 2 0 295.427 0.814 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303791801 632492301 /nfs/dbraw/zinc/49/23/01/632492301.db2.gz XVYZKEJPBKFJJG-VXGBXAGGSA-N 2 0 258.410 0.902 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C)no1 ZINC000303989823 632505057 /nfs/dbraw/zinc/50/50/57/632505057.db2.gz XXQULIYOCOQCTF-NSHDSACASA-N 2 0 280.376 0.309 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)Cc2cncn2C)CC1 ZINC000985751077 632635182 /nfs/dbraw/zinc/63/51/82/632635182.db2.gz KHEKIZKVUYSUMF-UHFFFAOYSA-N 2 0 274.368 0.519 20 30 CCEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)CCO3)CCC[C@H]12 ZINC000990120916 633448813 /nfs/dbraw/zinc/44/88/13/633448813.db2.gz KXOTZLFQKCSEON-OFQRWUPVSA-N 2 0 293.411 0.616 20 30 CCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996976252 638846953 /nfs/dbraw/zinc/84/69/53/638846953.db2.gz BWYSBNOEFMGGJI-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998725086 638936883 /nfs/dbraw/zinc/93/68/83/638936883.db2.gz VKTWZLOSNZKCED-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000332760 639074264 /nfs/dbraw/zinc/07/42/64/639074264.db2.gz KEDNSRREWNQIJP-CQSZACIVSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001001537680 639314540 /nfs/dbraw/zinc/31/45/40/639314540.db2.gz AQQXDFGTXZVCCD-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP Cc1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1C#N ZINC000923459736 640142514 /nfs/dbraw/zinc/14/25/14/640142514.db2.gz DUYCRIIVRDQACF-UHFFFAOYSA-N 2 0 258.369 0.862 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796353 650630540 /nfs/dbraw/zinc/63/05/40/650630540.db2.gz KZHFKMQZCDCALZ-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000834505114 642592317 /nfs/dbraw/zinc/59/23/17/642592317.db2.gz IFLCGDPNUSLONF-XBFCOCLRSA-N 2 0 270.336 0.101 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCCCC1 ZINC000852855137 644024535 /nfs/dbraw/zinc/02/45/35/644024535.db2.gz FTCWDMGXLJWCFJ-UHFFFAOYSA-N 2 0 277.412 0.982 20 30 CCEDRP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000852859885 644027826 /nfs/dbraw/zinc/02/78/26/644027826.db2.gz DERQOOCOLNIMLB-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000852874211 644035280 /nfs/dbraw/zinc/03/52/80/644035280.db2.gz NCAGWPYVRGEFDZ-MRXNPFEDSA-N 2 0 289.423 0.980 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000852874818 644036483 /nfs/dbraw/zinc/03/64/83/644036483.db2.gz CHRXMQRIYIBUFA-RISCZKNCSA-N 2 0 270.336 0.174 20 30 CCEDRP [NH3+][C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000852878854 644038871 /nfs/dbraw/zinc/03/88/71/644038871.db2.gz RKNAAFWNLZHOPA-DLBZAZTESA-N 2 0 297.402 0.943 20 30 CCEDRP [NH3+]C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C1CCCC1 ZINC000852890669 644045034 /nfs/dbraw/zinc/04/50/34/644045034.db2.gz KVZHFSLJKOIXEI-CQSZACIVSA-N 2 0 263.385 0.623 20 30 CCEDRP C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000852895631 644048067 /nfs/dbraw/zinc/04/80/67/644048067.db2.gz GEOHFXFDTSWHQA-DZGCQCFKSA-N 2 0 277.412 0.965 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001019043856 650933605 /nfs/dbraw/zinc/93/36/05/650933605.db2.gz KIMXLVPXZNJAHB-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020145578 651043971 /nfs/dbraw/zinc/04/39/71/651043971.db2.gz NTRRBVBJJWNZGI-MGPQQGTHSA-N 2 0 263.385 0.729 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001020174013 651045642 /nfs/dbraw/zinc/04/56/42/651045642.db2.gz QEWJXJYUGCFZHG-XDQVBPFNSA-N 2 0 263.385 0.587 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC([NH3+])CC1 ZINC000876502270 646613108 /nfs/dbraw/zinc/61/31/08/646613108.db2.gz XOWXXEBMXJBHML-HNNXBMFYSA-N 2 0 284.363 0.695 20 30 CCEDRP C[C@H]([NH3+])CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876519382 646617630 /nfs/dbraw/zinc/61/76/30/646617630.db2.gz YIPOXPIHCWEPSM-IINYFYTJSA-N 2 0 272.352 0.599 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525288 646619586 /nfs/dbraw/zinc/61/95/86/646619586.db2.gz IFSOTBVSEJVWQI-LRDDRELGSA-N 2 0 298.390 0.861 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792129 646665100 /nfs/dbraw/zinc/66/51/00/646665100.db2.gz SCWPRSRBHPUMAF-CABCVRRESA-N 2 0 284.363 0.599 20 30 CCEDRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876830216 646675845 /nfs/dbraw/zinc/67/58/45/646675845.db2.gz DNLDBRSILQWYCN-HFBAOOFYSA-N 2 0 298.390 0.859 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000877009913 646715947 /nfs/dbraw/zinc/71/59/47/646715947.db2.gz FDISGQHGUIYPQT-DLBZAZTESA-N 2 0 297.402 0.861 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884013025 647610572 /nfs/dbraw/zinc/61/05/72/647610572.db2.gz ANCMOEZCPPWTHL-NSVFMMHJSA-N 2 0 290.411 0.854 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000104174622 648204672 /nfs/dbraw/zinc/20/46/72/648204672.db2.gz TYRBIYXYHOZQTI-ZDUSSCGKSA-N 2 0 267.421 0.350 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249880183 649753597 /nfs/dbraw/zinc/75/35/97/649753597.db2.gz NGACMPMYRZBVDV-QWHCGFSZSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303701027 649823894 /nfs/dbraw/zinc/82/38/94/649823894.db2.gz HWZRPTHQCOLOBD-OKILXGFUSA-N 3 0 281.448 0.859 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303891218 649826412 /nfs/dbraw/zinc/82/64/12/649826412.db2.gz MWYNQDMLVOXTCL-UHFFFAOYSA-N 2 0 269.437 0.671 20 30 CCEDRP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC)C1 ZINC000303898044 649826598 /nfs/dbraw/zinc/82/65/98/649826598.db2.gz QZISZITWZNQRRZ-KGLIPLIRSA-N 3 0 281.448 0.717 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303911392 649826917 /nfs/dbraw/zinc/82/69/17/649826917.db2.gz ZOBIMIPEPQSIRO-CYBMUJFWSA-N 2 0 269.437 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305015472 649840599 /nfs/dbraw/zinc/84/05/99/649840599.db2.gz LUNZYHYXKXCEOP-ZIAGYGMSSA-N 2 0 298.431 0.571 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138118 805583421 /nfs/dbraw/zinc/58/34/21/805583421.db2.gz GONFAIYCDCEMHV-RRFJBIMHSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262967 805590247 /nfs/dbraw/zinc/59/02/47/805590247.db2.gz ZLRVRBHZPRLGJO-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001266326349 790513109 /nfs/dbraw/zinc/51/31/09/790513109.db2.gz AFXYASNABYXGLF-UHFFFAOYSA-N 2 0 253.390 0.646 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167257616 790750556 /nfs/dbraw/zinc/75/05/56/790750556.db2.gz FBZOYGQEPNTVJP-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266533692 790885407 /nfs/dbraw/zinc/88/54/07/790885407.db2.gz OHDWLAFOYOEGKT-ZIAGYGMSSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545240 790907757 /nfs/dbraw/zinc/90/77/57/790907757.db2.gz NYKUZANEXMLKRQ-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC1CC1 ZINC001267200214 791663929 /nfs/dbraw/zinc/66/39/29/791663929.db2.gz HNGWFGPMEYKZIJ-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655225 791700234 /nfs/dbraw/zinc/70/02/34/791700234.db2.gz JDOVLVLPGZJKDJ-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001267257189 793253997 /nfs/dbraw/zinc/25/39/97/793253997.db2.gz QRAZVROMEYWEBW-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855848 800350474 /nfs/dbraw/zinc/35/04/74/800350474.db2.gz PKSPOBXDRPNCJP-YUELXQCFSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150625083 800353341 /nfs/dbraw/zinc/35/33/41/800353341.db2.gz ITLWYRAZGFUZDW-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156645 800405611 /nfs/dbraw/zinc/40/56/11/800405611.db2.gz FVRDTVDQXYBBHJ-AWEZNQCLSA-N 2 0 283.416 0.627 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151814691 800461630 /nfs/dbraw/zinc/46/16/30/800461630.db2.gz JGFAVABWJSPUFW-HNNXBMFYSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001152323887 800509855 /nfs/dbraw/zinc/50/98/55/800509855.db2.gz GLYPKPKQUAMGIH-UHFFFAOYSA-N 2 0 261.369 0.061 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152387002 800514522 /nfs/dbraw/zinc/51/45/22/800514522.db2.gz WNEMCPNLOSWDBH-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409124 801162270 /nfs/dbraw/zinc/16/22/70/801162270.db2.gz FDJHVJRWZLYKGY-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196324 801587923 /nfs/dbraw/zinc/58/79/23/801587923.db2.gz LGZDESBSHLFMLO-CYBMUJFWSA-N 2 0 251.374 0.610 20 30 CCEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506524 801660065 /nfs/dbraw/zinc/66/00/65/801660065.db2.gz KZFQQNZOEVWEQS-LSDHHAIUSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159154987 801764638 /nfs/dbraw/zinc/76/46/38/801764638.db2.gz GJSCAVGNJULJBF-CYBMUJFWSA-N 2 0 271.380 0.786 20 30 CCEDRP CSc1nc(Cl)c(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159779645 801866916 /nfs/dbraw/zinc/86/69/16/801866916.db2.gz GVWGAERDFAISCI-ZETCQYMHSA-N 2 0 286.792 0.581 20 30 CCEDRP CSc1nc(Cl)c(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159779642 801867179 /nfs/dbraw/zinc/86/71/79/801867179.db2.gz GVWGAERDFAISCI-SSDOTTSWSA-N 2 0 286.792 0.581 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854714 801880126 /nfs/dbraw/zinc/88/01/26/801880126.db2.gz RHIAGPKDQZBETL-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160952226 802052979 /nfs/dbraw/zinc/05/29/79/802052979.db2.gz WSEIDJWMMRYCPN-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795783 802224964 /nfs/dbraw/zinc/22/49/64/802224964.db2.gz PJMCOWCZVLLFGL-UHFFFAOYSA-N 2 0 295.427 0.913 20 30 CCEDRP N#Cc1c[nH]c2nc(NCCC[NH2+]CCCC[NH3+])ncc12 ZINC001162292497 802302081 /nfs/dbraw/zinc/30/20/81/802302081.db2.gz PGBRPQLJSHHXAT-UHFFFAOYSA-N 2 0 287.371 0.960 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162459788 802343439 /nfs/dbraw/zinc/34/34/39/802343439.db2.gz PUJNTFUGKNGQOJ-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP N#CCc1cc(NCc2noc3c2C[NH2+]CC3)cc[nH+]1 ZINC001163134561 802489846 /nfs/dbraw/zinc/48/98/46/802489846.db2.gz VJHNFPPDZABAPQ-UHFFFAOYSA-N 2 0 269.308 0.815 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165361117 802828143 /nfs/dbraw/zinc/82/81/43/802828143.db2.gz YHFPEJFZFGWRLC-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267753729 811747178 /nfs/dbraw/zinc/74/71/78/811747178.db2.gz CYFFBHDWWMDCKA-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206273879 803221476 /nfs/dbraw/zinc/22/14/76/803221476.db2.gz CCEXQTJXVNLXHB-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585874 803270305 /nfs/dbraw/zinc/27/03/05/803270305.db2.gz GLHZZMDMOICBOQ-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550722 803419026 /nfs/dbraw/zinc/41/90/26/803419026.db2.gz GZALHDSULAKYJQ-BPLDGKMQSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527003 803519849 /nfs/dbraw/zinc/51/98/49/803519849.db2.gz GAGYMVSRUOYONO-MGPQQGTHSA-N 2 0 265.401 0.642 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209640875 803619290 /nfs/dbraw/zinc/61/92/90/803619290.db2.gz DTPKZCGFZRFMCC-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082515 803666863 /nfs/dbraw/zinc/66/68/63/803666863.db2.gz SXOLGULKYKLEDD-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082574 803667397 /nfs/dbraw/zinc/66/73/97/803667397.db2.gz UEXCLGCNRKPQJY-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215413796 803806468 /nfs/dbraw/zinc/80/64/68/803806468.db2.gz NLTUWSZAAIOBRJ-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540978 803819903 /nfs/dbraw/zinc/81/99/03/803819903.db2.gz TWMCNCLEEVEGNJ-RRFJBIMHSA-N 2 0 277.412 0.788 20 30 CCEDRP N#Cc1ccnc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218502825 803969569 /nfs/dbraw/zinc/96/95/69/803969569.db2.gz ASQAFMPXSCAHDF-GFCCVEGCSA-N 2 0 285.351 0.766 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218980316 804173773 /nfs/dbraw/zinc/17/37/73/804173773.db2.gz ARAQHLLCJQQUED-NSHDSACASA-N 2 0 285.351 0.347 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(C#N)c1 ZINC001219393503 804296655 /nfs/dbraw/zinc/29/66/55/804296655.db2.gz NPKXJPUOIRWXRB-LLVKDONJSA-N 2 0 257.297 0.435 20 30 CCEDRP N#CCc1cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc1F ZINC001219518441 804337498 /nfs/dbraw/zinc/33/74/98/804337498.db2.gz KYYKGGBWYOXMJL-LBPRGKRZSA-N 2 0 264.304 0.896 20 30 CCEDRP O=C(NC1=CC(=O)CCC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219885228 804440910 /nfs/dbraw/zinc/44/09/10/804440910.db2.gz LFYBRHOYBIMLLY-ZDUSSCGKSA-N 2 0 277.368 0.614 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220150048 804516215 /nfs/dbraw/zinc/51/62/15/804516215.db2.gz OIVUUUNAFOJVBF-GDLCADMTSA-N 2 0 272.352 0.282 20 30 CCEDRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N/C=C/C(=O)C(F)(F)F ZINC001220345679 804580179 /nfs/dbraw/zinc/58/01/79/804580179.db2.gz LSSOSPOEPJOMAL-JQTRYQTASA-N 2 0 281.278 0.594 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220413677 804598745 /nfs/dbraw/zinc/59/87/45/804598745.db2.gz NIXWFWPYQWNXOP-LBPRGKRZSA-N 2 0 277.368 0.185 20 30 CCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886786 804691003 /nfs/dbraw/zinc/69/10/03/804691003.db2.gz MUUWYLVBCVSDLI-IMJJTQAJSA-N 2 0 298.390 0.729 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228366374 805441189 /nfs/dbraw/zinc/44/11/89/805441189.db2.gz QRQRXMGUANIVTN-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278396703 807065578 /nfs/dbraw/zinc/06/55/78/807065578.db2.gz BXJJMPINWFPDCB-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246305086 807215602 /nfs/dbraw/zinc/21/56/02/807215602.db2.gz GPXCORMRRNAXET-KGLIPLIRSA-N 2 0 295.427 0.945 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC(C#N)CC1 ZINC001246511519 807268868 /nfs/dbraw/zinc/26/88/68/807268868.db2.gz JEAAYXKZVYASLQ-BPCQOVAHSA-N 2 0 266.389 0.902 20 30 CCEDRP C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246558635 807287752 /nfs/dbraw/zinc/28/77/52/807287752.db2.gz NOKGMNSBYCRBPL-YIYPIFLZSA-N 2 0 250.390 0.937 20 30 CCEDRP C[NH+](C)CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254654502 808270111 /nfs/dbraw/zinc/27/01/11/808270111.db2.gz UXXLJGWEMPLCEU-UONOGXRCSA-N 2 0 250.390 0.858 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278828743 808300765 /nfs/dbraw/zinc/30/07/65/808300765.db2.gz PSONUVJOXFZTSI-MRXNPFEDSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001088816518 815200191 /nfs/dbraw/zinc/20/01/91/815200191.db2.gz FVPDXJPNBUZGMM-XGUBFFRZSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001279038416 808632389 /nfs/dbraw/zinc/63/23/89/808632389.db2.gz IQMRPIIJAFUDTM-UONOGXRCSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCOC ZINC001279045160 808635594 /nfs/dbraw/zinc/63/55/94/808635594.db2.gz QSAMMJKHACFEGM-HNNXBMFYSA-N 2 0 295.427 0.579 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001261552139 809019124 /nfs/dbraw/zinc/01/91/24/809019124.db2.gz HMTJHHMRBQRZCU-UONOGXRCSA-N 2 0 295.431 0.150 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](C2CCOCC2)CC1 ZINC001262569544 809347629 /nfs/dbraw/zinc/34/76/29/809347629.db2.gz ATDPWSXOKWSTFW-UHFFFAOYSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263878262 809596909 /nfs/dbraw/zinc/59/69/09/809596909.db2.gz RHGRRZSRKWAZHC-IHRRRGAJSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263926453 809608036 /nfs/dbraw/zinc/60/80/36/809608036.db2.gz QWQDFGIHQBYFFZ-RRFJBIMHSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264078375 809628244 /nfs/dbraw/zinc/62/82/44/809628244.db2.gz JBAUYWOQBVRKIQ-AWEZNQCLSA-N 2 0 283.416 0.409 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001265357217 809763697 /nfs/dbraw/zinc/76/36/97/809763697.db2.gz WGLQQOBGAKPDTO-BPLDGKMQSA-N 2 0 277.412 0.834 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265481465 809789081 /nfs/dbraw/zinc/78/90/81/809789081.db2.gz KHDRAYXWIYOOLQ-HAQNSBGRSA-N 2 0 251.374 0.894 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265774165 809848895 /nfs/dbraw/zinc/84/88/95/809848895.db2.gz AWWJPNRHZLTQDH-MGPQQGTHSA-N 2 0 281.400 0.071 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265844011 809872239 /nfs/dbraw/zinc/87/22/39/809872239.db2.gz QXSMPGCEWLVVLZ-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265895357 809886815 /nfs/dbraw/zinc/88/68/15/809886815.db2.gz JYLMZRHVBKLPGK-KBPBESRZSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCF)C2)CC1 ZINC001265947711 809903082 /nfs/dbraw/zinc/90/30/82/809903082.db2.gz VXOROZACHYVUKT-HNNXBMFYSA-N 2 0 295.402 0.882 20 30 CCEDRP C#CC[N@H+](CC)CCCNC(=O)C[NH+](C)C(C)C ZINC001266112287 809937796 /nfs/dbraw/zinc/93/77/96/809937796.db2.gz KLBMCUAPQDBNNK-UHFFFAOYSA-N 2 0 253.390 0.788 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266189391 809958048 /nfs/dbraw/zinc/95/80/48/809958048.db2.gz QSAZUXFIHAFOQL-UONOGXRCSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001267320569 811151209 /nfs/dbraw/zinc/15/12/09/811151209.db2.gz OSBQJIAQYLDUOP-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH2+]CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267374115 811231753 /nfs/dbraw/zinc/23/17/53/811231753.db2.gz WNLCPVIFWYMFDC-UHFFFAOYSA-N 2 0 279.388 0.292 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267392012 811276746 /nfs/dbraw/zinc/27/67/46/811276746.db2.gz YWCVTAIJLXIPTL-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267622234 811579959 /nfs/dbraw/zinc/57/99/59/811579959.db2.gz RHHPLTSMZVQKKM-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP CC[C@H](CC#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220898734 811752419 /nfs/dbraw/zinc/75/24/19/811752419.db2.gz UQDCRJJUSDECPR-VXGBXAGGSA-N 2 0 264.373 0.669 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267815238 811809455 /nfs/dbraw/zinc/80/94/55/811809455.db2.gz MGVSMOOPYMEBNS-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871035 812083685 /nfs/dbraw/zinc/08/36/85/812083685.db2.gz YHJZFLPXLZXYKH-UHFFFAOYSA-N 2 0 281.400 0.072 20 30 CCEDRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001268072166 812183341 /nfs/dbraw/zinc/18/33/41/812183341.db2.gz SWQHMEGVIHPLKH-ZIAGYGMSSA-N 2 0 283.416 0.413 20 30 CCEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075613796 812402720 /nfs/dbraw/zinc/40/27/20/812402720.db2.gz PYXIOWAPHABNRJ-MELADBBJSA-N 2 0 263.385 0.799 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268471050 812621597 /nfs/dbraw/zinc/62/15/97/812621597.db2.gz KCXRTVXJWKHTAG-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001268647797 812977437 /nfs/dbraw/zinc/97/74/37/812977437.db2.gz HXCLIMBZWWJMMR-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268706484 813024088 /nfs/dbraw/zinc/02/40/88/813024088.db2.gz JSUWVUDABJMPQP-UONOGXRCSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCOC ZINC001268734101 813048593 /nfs/dbraw/zinc/04/85/93/813048593.db2.gz RRJHHINCQYZGJX-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268752429 813062097 /nfs/dbraw/zinc/06/20/97/813062097.db2.gz NNBYHXFPMPJRFS-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001269176299 813249990 /nfs/dbraw/zinc/24/99/90/813249990.db2.gz XBXUUUWCRJYHGS-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CC#CCOC)C1 ZINC001269288309 813306786 /nfs/dbraw/zinc/30/67/86/813306786.db2.gz UATGQGYEQMNNIB-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001270431298 813760595 /nfs/dbraw/zinc/76/05/95/813760595.db2.gz NAGVWYPCEBAFNP-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270614510 813838994 /nfs/dbraw/zinc/83/89/94/813838994.db2.gz GRWMZKKYSQMTDK-GDBMZVCRSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270969016 814102731 /nfs/dbraw/zinc/10/27/31/814102731.db2.gz WTQFAOPTMSIQAW-TZMCWYRMSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001271193217 814329686 /nfs/dbraw/zinc/32/96/86/814329686.db2.gz SYQYEADXEHPHNV-MRXNPFEDSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106060 814410413 /nfs/dbraw/zinc/41/04/13/814410413.db2.gz LYUHLFKJOMPEBD-XHSDSOJGSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199166 814444238 /nfs/dbraw/zinc/44/42/38/814444238.db2.gz DKIIYWKORYRISL-ILXRZTDVSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001271459951 814454075 /nfs/dbraw/zinc/45/40/75/814454075.db2.gz XKBPWIMICWJXPU-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001271929862 814632701 /nfs/dbraw/zinc/63/27/01/814632701.db2.gz FADRJHLYUNXHLX-OLZOCXBDSA-N 2 0 253.390 0.855 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001272315598 816303864 /nfs/dbraw/zinc/30/38/64/816303864.db2.gz SDLJJKKMCNYJAY-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001272384232 816379765 /nfs/dbraw/zinc/37/97/65/816379765.db2.gz NUBSMQFFTZFRJG-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001272460584 816447942 /nfs/dbraw/zinc/44/79/42/816447942.db2.gz DJUKGGUKNCZDKO-CQSZACIVSA-N 2 0 297.443 0.892 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001272461158 816448156 /nfs/dbraw/zinc/44/81/56/816448156.db2.gz LZNZPADTSSLYSJ-GJZGRUSLSA-N 2 0 295.427 0.197 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272552602 816574859 /nfs/dbraw/zinc/57/48/59/816574859.db2.gz HMHNUTODUDTMMV-OAHLLOKOSA-N 2 0 295.427 0.197 20 30 CCEDRP N#Cc1cc(F)cc(CN2CCNC[C@@]23CC[NH2+]C3)c1 ZINC001234992425 816791322 /nfs/dbraw/zinc/79/13/22/816791322.db2.gz ZNKFIZYOXXJSJL-HNNXBMFYSA-N 2 0 274.343 0.835 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881352 816974260 /nfs/dbraw/zinc/97/42/60/816974260.db2.gz CJOHYOZJTZGECV-QLFBSQMISA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001106986405 817574506 /nfs/dbraw/zinc/57/45/06/817574506.db2.gz NMLKJFHXERAJEY-TZMCWYRMSA-N 2 0 274.368 0.509 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077612809 817874168 /nfs/dbraw/zinc/87/41/68/817874168.db2.gz QDEFWVAESFDJAV-ZIAGYGMSSA-N 2 0 281.400 0.066 20 30 CCEDRP CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960620 818390275 /nfs/dbraw/zinc/39/02/75/818390275.db2.gz XVWLAKPNTLJJCH-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660513 818881555 /nfs/dbraw/zinc/88/15/55/818881555.db2.gz HXDFBENPZRDQIX-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035613913 819588972 /nfs/dbraw/zinc/58/89/72/819588972.db2.gz MKGZOPLICOZHAI-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C[C@H](C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706013662 819597087 /nfs/dbraw/zinc/59/70/87/819597087.db2.gz SYIKWGBLVSVKFV-JHJVBQTASA-N 2 0 266.389 0.344 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742060 821030871 /nfs/dbraw/zinc/03/08/71/821030871.db2.gz PLKDYEHERPPYRU-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C=C(Br)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794418 821068081 /nfs/dbraw/zinc/06/80/81/821068081.db2.gz VNYQYELHAXCSCI-UHFFFAOYSA-N 2 0 292.221 0.943 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085422282 821681421 /nfs/dbraw/zinc/68/14/21/821681421.db2.gz NEHCGDGEZPKQGB-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798987 821960077 /nfs/dbraw/zinc/96/00/77/821960077.db2.gz GEMKNKHWPSWYFB-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086364364 822227145 /nfs/dbraw/zinc/22/71/45/822227145.db2.gz AXMVIOLUIJOUJW-KKUMJFAQSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001129410571 837501631 /nfs/dbraw/zinc/50/16/31/837501631.db2.gz MVEILILDXQCPRQ-ZDUSSCGKSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129443376 837512139 /nfs/dbraw/zinc/51/21/39/837512139.db2.gz JKHQMMIHBZZYAI-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130478040 837802407 /nfs/dbraw/zinc/80/24/07/837802407.db2.gz RCPRMGPTZARLTH-ZDUSSCGKSA-N 2 0 292.383 0.354 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCc2cncn2C1 ZINC001130484348 837808638 /nfs/dbraw/zinc/80/86/38/837808638.db2.gz LEGHFGLUOUJUFS-NSHDSACASA-N 2 0 282.775 0.904 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373899 836432559 /nfs/dbraw/zinc/43/25/59/836432559.db2.gz DFXYSRASLIKLSW-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804452 836531674 /nfs/dbraw/zinc/53/16/74/836531674.db2.gz SHCSENBVQWOJRS-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP COc1nc(NC(=[NH2+])NCCCC[NH3+])ncc1C#N ZINC001157093931 836795350 /nfs/dbraw/zinc/79/53/50/836795350.db2.gz JWYJQAHAUZIYHN-UHFFFAOYSA-N 2 0 263.305 0.032 20 30 CCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578556 836800233 /nfs/dbraw/zinc/80/02/33/836800233.db2.gz USYYJKRDGDGNCV-VYDXJSESSA-N 2 0 289.423 0.790 20 30 CCEDRP CC#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467580 837153600 /nfs/dbraw/zinc/15/36/00/837153600.db2.gz JHRQQCLDDHOBME-UHFFFAOYSA-N 2 0 295.427 0.247 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133246387 838582668 /nfs/dbraw/zinc/58/26/68/838582668.db2.gz VUCZYAIZRHDUDN-GJZGRUSLSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584773 839014631 /nfs/dbraw/zinc/01/46/31/839014631.db2.gz WWIJUDBMRHKOLO-QWHCGFSZSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102958 839162053 /nfs/dbraw/zinc/16/20/53/839162053.db2.gz RAKORVJXCSPEFF-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185660083 844444040 /nfs/dbraw/zinc/44/40/40/844444040.db2.gz XREMVCNGDLDHJW-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811643 839830422 /nfs/dbraw/zinc/83/04/22/839830422.db2.gz CRUBYAKWIRSYLJ-LSDHHAIUSA-N 2 0 295.427 0.600 20 30 CCEDRP C[C@H](CC[NH+](C)C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001144004288 839910500 /nfs/dbraw/zinc/91/05/00/839910500.db2.gz WNICAQLOJWNWTJ-GFCCVEGCSA-N 2 0 266.389 0.678 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCF)C2)CC1 ZINC001091377596 840195087 /nfs/dbraw/zinc/19/50/87/840195087.db2.gz OOLOBFAFFYKBBU-UHFFFAOYSA-N 2 0 295.402 0.786 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338710 840284613 /nfs/dbraw/zinc/28/46/13/840284613.db2.gz HGLKGMDHCXPGOP-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338712 840286366 /nfs/dbraw/zinc/28/63/66/840286366.db2.gz HGLKGMDHCXPGOP-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146572314 840327240 /nfs/dbraw/zinc/32/72/40/840327240.db2.gz VVKIOPITVLVMCH-CABCVRRESA-N 2 0 289.423 0.838 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186554936 844564430 /nfs/dbraw/zinc/56/44/30/844564430.db2.gz JRXYEFZHDXLCSC-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611666 840844612 /nfs/dbraw/zinc/84/46/12/840844612.db2.gz IOAANXLBWVMWPI-UHFFFAOYSA-N 2 0 295.427 0.675 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620309 841050889 /nfs/dbraw/zinc/05/08/89/841050889.db2.gz ASQSBANVXBOTMI-KBUPBQIOSA-N 2 0 277.412 0.644 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725838 841752515 /nfs/dbraw/zinc/75/25/15/841752515.db2.gz SWMUMVVWHFEGFY-UHFFFAOYSA-N 2 0 253.390 0.838 20 30 CCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175055912 842227609 /nfs/dbraw/zinc/22/76/09/842227609.db2.gz JQUKWYLDSUMLHO-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986426 842474712 /nfs/dbraw/zinc/47/47/12/842474712.db2.gz NXFLXZSBWPCROU-ZDUSSCGKSA-N 2 0 298.431 0.113 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001176986759 842477690 /nfs/dbraw/zinc/47/76/90/842477690.db2.gz VIBWZRHNGRSVAZ-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178361424 842831505 /nfs/dbraw/zinc/83/15/05/842831505.db2.gz YWXNELXWNGSXIP-IHRRRGAJSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925842 843080239 /nfs/dbraw/zinc/08/02/39/843080239.db2.gz VHRGCRHCFPZKOI-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180222620 843117858 /nfs/dbraw/zinc/11/78/58/843117858.db2.gz QNXTZEJOIPLVRR-STQMWFEESA-N 2 0 251.374 0.539 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001273467531 843303675 /nfs/dbraw/zinc/30/36/75/843303675.db2.gz UKURJUITXWOUGE-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP N#Cc1cccc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)c1 ZINC001151114505 843760548 /nfs/dbraw/zinc/76/05/48/843760548.db2.gz OWSYHHQUDDGUHT-UHFFFAOYSA-N 2 0 286.379 0.860 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157474 843786402 /nfs/dbraw/zinc/78/64/02/843786402.db2.gz LVQOIKOJRHYKSZ-CYBMUJFWSA-N 2 0 269.389 0.237 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001183044062 843956377 /nfs/dbraw/zinc/95/63/77/843956377.db2.gz BUTZZSIVLXZPRN-CQSZACIVSA-N 2 0 281.400 0.427 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)NC(=N)SCC[NH3+] ZINC001183080046 843960913 /nfs/dbraw/zinc/96/09/13/843960913.db2.gz MCONSCAGFXOXSP-UHFFFAOYSA-N 2 0 256.375 0.381 20 30 CCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699458 845079106 /nfs/dbraw/zinc/07/91/06/845079106.db2.gz MJLNZEPIFRFOIV-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699457 845079184 /nfs/dbraw/zinc/07/91/84/845079184.db2.gz MJLNZEPIFRFOIV-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190666924 845448480 /nfs/dbraw/zinc/44/84/80/845448480.db2.gz PTWRLMBEIZIJIQ-GJZGRUSLSA-N 2 0 277.412 0.883 20 30 CCEDRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001190900806 845525804 /nfs/dbraw/zinc/52/58/04/845525804.db2.gz SGYHUDBMSVTKFS-HUUCEWRRSA-N 2 0 295.427 0.509 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)Cc1ncc[nH]1 ZINC001273681290 846343890 /nfs/dbraw/zinc/34/38/90/846343890.db2.gz QGICXXZCWLFFJV-UHFFFAOYSA-N 2 0 278.356 0.040 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001251884666 847318651 /nfs/dbraw/zinc/31/86/51/847318651.db2.gz DGMPWZGJLXJSLS-INIZCTEOSA-N 2 0 276.380 0.849 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001251896244 847411863 /nfs/dbraw/zinc/41/18/63/847411863.db2.gz DUADJGHJPJVUPO-INIZCTEOSA-N 2 0 280.412 0.851 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807589 847693958 /nfs/dbraw/zinc/69/39/58/847693958.db2.gz WHQWBZLXOLVCMR-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059932 847851828 /nfs/dbraw/zinc/85/18/28/847851828.db2.gz SWIQWXJCDVTNQR-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CCC)C[C@H]2C1 ZINC001252473987 847979488 /nfs/dbraw/zinc/97/94/88/847979488.db2.gz UKVPGAXBNUPNGI-SOUVJXGZSA-N 2 0 268.401 0.824 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504658 848003248 /nfs/dbraw/zinc/00/32/48/848003248.db2.gz VHDFPFXBXKCFJW-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274741099 848557812 /nfs/dbraw/zinc/55/78/12/848557812.db2.gz KUZGUHKLZVOEOK-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001274772613 848565592 /nfs/dbraw/zinc/56/55/92/848565592.db2.gz YRJZXAQYZFZDTN-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001275707555 848797275 /nfs/dbraw/zinc/79/72/75/848797275.db2.gz WGEPOYKZGFGYQH-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001275977128 848879535 /nfs/dbraw/zinc/87/95/35/848879535.db2.gz NJBUGKBJGDGKCD-OLZOCXBDSA-N 2 0 253.390 0.786 20 30 CCEDRP C=C[C@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001253580889 849549469 /nfs/dbraw/zinc/54/94/69/849549469.db2.gz AKTIFIBJBPPGOL-AWEZNQCLSA-N 2 0 253.390 0.247 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001037956255 849612350 /nfs/dbraw/zinc/61/23/50/849612350.db2.gz CBCFSYYBULHFPC-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028873 850125565 /nfs/dbraw/zinc/12/55/65/850125565.db2.gz RYGXZOJKARTQNQ-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040529910 850298075 /nfs/dbraw/zinc/29/80/75/850298075.db2.gz SJUOKULVTWFZDY-NVXWUHKLSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001045640471 851293257 /nfs/dbraw/zinc/29/32/57/851293257.db2.gz SQNQVKBBOKWYRH-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047627927 851838051 /nfs/dbraw/zinc/83/80/51/851838051.db2.gz ABVFWYRBHIHYER-KKUMJFAQSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C1 ZINC001048791913 852061927 /nfs/dbraw/zinc/06/19/27/852061927.db2.gz BDVFFXRHUFVXFI-OKILXGFUSA-N 2 0 286.379 0.756 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863002 852087861 /nfs/dbraw/zinc/08/78/61/852087861.db2.gz CUZYXAGYNREIED-OWCLPIDISA-N 2 0 289.423 0.740 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174657 852185035 /nfs/dbraw/zinc/18/50/35/852185035.db2.gz VUNAWYBGQJIGAO-GASCZTMLSA-N 2 0 287.407 0.496 20 30 CCEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379469 852446625 /nfs/dbraw/zinc/44/66/25/852446625.db2.gz GURYAIVGLFRNMV-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052934115 852673549 /nfs/dbraw/zinc/67/35/49/852673549.db2.gz IBWNAGVJSLYUKM-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054969888 853045481 /nfs/dbraw/zinc/04/54/81/853045481.db2.gz WJMKHTUNXRPLIZ-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265820874 853352976 /nfs/dbraw/zinc/35/29/76/853352976.db2.gz JWVCJBAJZUBVEH-QWHCGFSZSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814379 854470186 /nfs/dbraw/zinc/47/01/86/854470186.db2.gz BXFBKLTWIIYARR-HNNXBMFYSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100065213 855089724 /nfs/dbraw/zinc/08/97/24/855089724.db2.gz ZJPRBDPXMJEYRR-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102312845 855427458 /nfs/dbraw/zinc/42/74/58/855427458.db2.gz QORWACZUGMGOQA-CHWSQXEVSA-N 2 0 253.390 0.808 20 30 CCEDRP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369851 855432393 /nfs/dbraw/zinc/43/23/93/855432393.db2.gz IOWKJHCOPIYYMK-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001118322458 856260355 /nfs/dbraw/zinc/26/03/55/856260355.db2.gz GHMYQXMRCXSTQY-XQQFMLRXSA-N 2 0 266.389 0.854 20 30 CCEDRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001118810706 856450279 /nfs/dbraw/zinc/45/02/79/856450279.db2.gz XLUWGCXSMYFGFH-DZGCQCFKSA-N 2 0 261.369 0.329 20 30 CCEDRP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324957914 913116498 /nfs/dbraw/zinc/11/64/98/913116498.db2.gz OVQSIRQWOXTRRH-OAHLLOKOSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325097779 913211542 /nfs/dbraw/zinc/21/15/42/913211542.db2.gz OMQKSYRIMHDEDS-UMVBOHGHSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325127688 913236294 /nfs/dbraw/zinc/23/62/94/913236294.db2.gz XCOUUCXSNSODPR-HNNXBMFYSA-N 2 0 283.416 0.457 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001496208438 891938301 /nfs/dbraw/zinc/93/83/01/891938301.db2.gz WWERSYQKDQOTOT-STQMWFEESA-N 2 0 253.390 0.786 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481071208 892130593 /nfs/dbraw/zinc/13/05/93/892130593.db2.gz OMCAATWIZSUMLL-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481107398 892171390 /nfs/dbraw/zinc/17/13/90/892171390.db2.gz ANMMHLPRACHWKQ-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001341752654 892591822 /nfs/dbraw/zinc/59/18/22/892591822.db2.gz NKLFCIFJDURIMG-TZMCWYRMSA-N 2 0 251.374 0.882 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001481705817 893056203 /nfs/dbraw/zinc/05/62/03/893056203.db2.gz OWLKMEYRAFKOCZ-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001326134159 913765078 /nfs/dbraw/zinc/76/50/78/913765078.db2.gz BJFGPLKOAUJADC-CABCVRRESA-N 2 0 297.443 0.703 20 30 CCEDRP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498170 893413131 /nfs/dbraw/zinc/41/31/31/893413131.db2.gz ADJLRZRTRSFECG-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168162818 894325373 /nfs/dbraw/zinc/32/53/73/894325373.db2.gz UUHUZVLDYUXLRB-UHFFFAOYSA-N 2 0 277.412 0.982 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482899896 894672576 /nfs/dbraw/zinc/67/25/76/894672576.db2.gz YBRINXKBJTZSFA-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483021583 894809368 /nfs/dbraw/zinc/80/93/68/894809368.db2.gz FCLIXWHPBYRNSE-WAYWQWQTSA-N 2 0 293.411 0.240 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001483165259 895049648 /nfs/dbraw/zinc/04/96/48/895049648.db2.gz GTGTYHVAOWYFAV-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001483265283 895397967 /nfs/dbraw/zinc/39/79/67/895397967.db2.gz GTGTYHVAOWYFAV-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001483339927 895478036 /nfs/dbraw/zinc/47/80/36/895478036.db2.gz VKFZJERUGWWLKL-CYBMUJFWSA-N 2 0 293.415 0.681 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001483785493 896050715 /nfs/dbraw/zinc/05/07/15/896050715.db2.gz LLOKABDSOXLYGN-GFCCVEGCSA-N 2 0 251.374 0.444 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001483924514 896119074 /nfs/dbraw/zinc/11/90/74/896119074.db2.gz JBZZSCTZQDPIPM-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484081820 896184888 /nfs/dbraw/zinc/18/48/88/896184888.db2.gz BNHMRYJROGPLDL-GOEBONIOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001484681626 896526143 /nfs/dbraw/zinc/52/61/43/896526143.db2.gz ZBFLUWSQKOIDFP-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001484687994 896542879 /nfs/dbraw/zinc/54/28/79/896542879.db2.gz QXGABBOWGSHZKK-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001484698606 896546464 /nfs/dbraw/zinc/54/64/64/896546464.db2.gz BBHDFIQQRVNOFE-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484856378 896635790 /nfs/dbraw/zinc/63/57/90/896635790.db2.gz RWMGRDFDONPKSM-ZBFHGGJFSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484898955 896657192 /nfs/dbraw/zinc/65/71/92/896657192.db2.gz CWXXYNLXDJTOGY-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484992627 896710606 /nfs/dbraw/zinc/71/06/06/896710606.db2.gz JSSRNTJOEJWYGR-GXTWGEPZSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954632 897588002 /nfs/dbraw/zinc/58/80/02/897588002.db2.gz TZOCXILNXNJZPD-IIAWOOMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403079 897862641 /nfs/dbraw/zinc/86/26/41/897862641.db2.gz BCWKDLBUGGALDF-ZIAGYGMSSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032732059 898024236 /nfs/dbraw/zinc/02/42/36/898024236.db2.gz VNKQRHSLOHBYLE-KKUMJFAQSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001486149421 898688324 /nfs/dbraw/zinc/68/83/24/898688324.db2.gz WJDNHUXSWCDFRU-DZGCQCFKSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486336806 898797659 /nfs/dbraw/zinc/79/76/59/898797659.db2.gz DSTMAPBVVGFAOQ-QLFBSQMISA-N 2 0 295.427 0.101 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001489313910 900465209 /nfs/dbraw/zinc/46/52/09/900465209.db2.gz GYDWGUZINUIUHS-OLZOCXBDSA-N 2 0 251.374 0.539 20 30 CCEDRP C=CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001490251112 900581867 /nfs/dbraw/zinc/58/18/67/900581867.db2.gz WSOKZCIGMYFTLB-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001327568235 914622962 /nfs/dbraw/zinc/62/29/62/914622962.db2.gz CTFNBTUZCHEMMC-OAHLLOKOSA-N 2 0 293.411 0.047 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001491469590 903612955 /nfs/dbraw/zinc/61/29/55/903612955.db2.gz JPSCOYBCQUCBQO-OLZOCXBDSA-N 2 0 271.380 0.784 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001329550163 903807618 /nfs/dbraw/zinc/80/76/18/903807618.db2.gz PNRQKADXTZBVKT-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001281722123 904337059 /nfs/dbraw/zinc/33/70/59/904337059.db2.gz NJZRJRVPAYYPHO-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001281968967 904378877 /nfs/dbraw/zinc/37/88/77/904378877.db2.gz RNGGDQRXOIMZJJ-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001282187033 904428845 /nfs/dbraw/zinc/42/88/45/904428845.db2.gz YIPPZDAQCSRKGW-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001282187034 904428857 /nfs/dbraw/zinc/42/88/57/904428857.db2.gz YIPPZDAQCSRKGW-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317163432 904796951 /nfs/dbraw/zinc/79/69/51/904796951.db2.gz UMJMLNSRNSSAGZ-OAHLLOKOSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001283388364 904836835 /nfs/dbraw/zinc/83/68/35/904836835.db2.gz NTUSVBJDJHIHDU-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001327926823 914869373 /nfs/dbraw/zinc/86/93/73/914869373.db2.gz UIIUAGVRSAMLRZ-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284004520 905112861 /nfs/dbraw/zinc/11/28/61/905112861.db2.gz SIIQGJRKGQIFKW-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001284774608 905434369 /nfs/dbraw/zinc/43/43/69/905434369.db2.gz YEOLJYYHUNQUML-WXRRBKDZSA-N 2 0 251.374 0.539 20 30 CCEDRP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@@H+]1C ZINC001337156350 921203439 /nfs/dbraw/zinc/20/34/39/921203439.db2.gz JSHULLFSHBFOCX-HAPAKHMDSA-N 2 0 292.383 0.585 20 30 CCEDRP C=CCC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491642048 907477381 /nfs/dbraw/zinc/47/73/81/907477381.db2.gz XUQMKNCJIDZGAT-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001492128229 907711446 /nfs/dbraw/zinc/71/14/46/907711446.db2.gz MOGHMSXCIADVMW-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317490066 908495626 /nfs/dbraw/zinc/49/56/26/908495626.db2.gz MCMCTRHEMVGHIZ-AWEZNQCLSA-N 2 0 283.416 0.579 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317152049 909019629 /nfs/dbraw/zinc/01/96/29/909019629.db2.gz CHALKABBQQXLTQ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317186176 909035716 /nfs/dbraw/zinc/03/57/16/909035716.db2.gz JGGRJUWRDYHYAC-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001317252903 909095143 /nfs/dbraw/zinc/09/51/43/909095143.db2.gz NJQPCPMFZFUUKY-CYBMUJFWSA-N 2 0 297.362 0.999 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317412143 909185525 /nfs/dbraw/zinc/18/55/25/909185525.db2.gz JCIUOIRCCFQHHY-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317411249 909186595 /nfs/dbraw/zinc/18/65/95/909186595.db2.gz DCYZEQHNIKBRIT-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CCC[N@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317448678 909221994 /nfs/dbraw/zinc/22/19/94/909221994.db2.gz BWXSEKCRRKREIL-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317518080 909286846 /nfs/dbraw/zinc/28/68/46/909286846.db2.gz VDWXPMFUIXFXHD-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001318507442 909785873 /nfs/dbraw/zinc/78/58/73/909785873.db2.gz RAZSWVPKYZJVLK-KGLIPLIRSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319167341 910013655 /nfs/dbraw/zinc/01/36/55/910013655.db2.gz KUBHFVUYJMNMFK-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319819928 910308107 /nfs/dbraw/zinc/30/81/07/910308107.db2.gz MJOBDUMEIYQZOY-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCOC)CC1 ZINC001320091344 910458743 /nfs/dbraw/zinc/45/87/43/910458743.db2.gz TWNQANUFBIIHQP-UHFFFAOYSA-N 2 0 295.427 0.368 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442550 911806048 /nfs/dbraw/zinc/80/60/48/911806048.db2.gz MKSKWABUMSGQPX-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001323013483 912071372 /nfs/dbraw/zinc/07/13/72/912071372.db2.gz CJBLFDONQIOSJF-OAHLLOKOSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330428184 916623225 /nfs/dbraw/zinc/62/32/25/916623225.db2.gz LQKNSISXVMDRCW-STQMWFEESA-N 2 0 269.389 0.330 20 30 CCEDRP C#CC[N@H+](C)CCOCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001331161269 917138544 /nfs/dbraw/zinc/13/85/44/917138544.db2.gz OFHSKLNUWBZXQE-CQSZACIVSA-N 2 0 281.400 0.026 20 30 CCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001331740766 917565973 /nfs/dbraw/zinc/56/59/73/917565973.db2.gz QPYYZHJANFZVBK-AWEZNQCLSA-N 2 0 295.427 0.505 20 30 CCEDRP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332094408 917858625 /nfs/dbraw/zinc/85/86/25/917858625.db2.gz RNUSPLAWTLLMLE-CQSZACIVSA-N 2 0 295.431 0.151 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001332518809 918241911 /nfs/dbraw/zinc/24/19/11/918241911.db2.gz VNSCPDFFEHKQCE-SOUVJXGZSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001332634500 918331677 /nfs/dbraw/zinc/33/16/77/918331677.db2.gz XGYGQIMGFCLHDL-HUUCEWRRSA-N 2 0 297.443 0.798 20 30 CCEDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC001335350685 920138003 /nfs/dbraw/zinc/13/80/03/920138003.db2.gz HJJQPDSRMUPDLB-CQSZACIVSA-N 2 0 263.389 0.657 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001335398897 920168267 /nfs/dbraw/zinc/16/82/67/920168267.db2.gz UOTIGLAKAYLQBD-LBPRGKRZSA-N 2 0 269.389 0.333 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001340882577 922257315 /nfs/dbraw/zinc/25/73/15/922257315.db2.gz XTKFRZZCIPELFC-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC001341527617 922536165 /nfs/dbraw/zinc/53/61/65/922536165.db2.gz XETDYOJWBJYOPA-UHFFFAOYSA-N 2 0 299.418 0.989 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC001341626325 922590409 /nfs/dbraw/zinc/59/04/09/922590409.db2.gz FTUNYKFWHUKJNI-ZDUSSCGKSA-N 2 0 268.405 0.034 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341810618 922683619 /nfs/dbraw/zinc/68/36/19/922683619.db2.gz XAOJCEMFJLEQNG-GDBMZVCRSA-N 2 0 275.396 0.638 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1CC[NH3+] ZINC001342448203 922965841 /nfs/dbraw/zinc/96/58/41/922965841.db2.gz IPJXNSLXUXPYBV-UPJWGTAASA-N 2 0 266.389 0.841 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]2C1 ZINC001342816219 923098864 /nfs/dbraw/zinc/09/88/64/923098864.db2.gz MIOYVUHURLIYPO-RVMXOQNASA-N 2 0 264.373 0.464 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343764641 923462938 /nfs/dbraw/zinc/46/29/38/923462938.db2.gz KABRMARIEPLCLF-QWHCGFSZSA-N 2 0 266.389 0.904 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC001353614188 925884494 /nfs/dbraw/zinc/88/44/94/925884494.db2.gz XDHFOHDROBOWDA-STQMWFEESA-N 2 0 258.325 0.029 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001356473380 926389959 /nfs/dbraw/zinc/38/99/59/926389959.db2.gz SEQYAEJAGRUOCU-WDEREUQCSA-N 2 0 250.346 0.266 20 30 CCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000602545897 362670955 /nfs/dbraw/zinc/67/09/55/362670955.db2.gz YSGLAOBQPRCHLH-GRYCIOLGSA-N 2 0 252.362 0.654 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000236684863 352204988 /nfs/dbraw/zinc/20/49/88/352204988.db2.gz GTAXIOKIRGSRHQ-CABCVRRESA-N 2 0 295.427 0.790 20 30 CCEDRP C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+]1CCCCC1 ZINC000584048070 359161755 /nfs/dbraw/zinc/16/17/55/359161755.db2.gz BSCAGDOBEWKFHK-CVEARBPZSA-N 2 0 296.459 0.904 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C[NH3+] ZINC000594428010 360302255 /nfs/dbraw/zinc/30/22/55/360302255.db2.gz YWTFHCAJKABMMV-FRRDWIJNSA-N 2 0 266.389 0.983 20 30 CCEDRP C[NH+](C)CCn1cc(NC(=O)[C@H]([NH3+])CCCCC#N)cn1 ZINC000594438203 360306739 /nfs/dbraw/zinc/30/67/39/360306739.db2.gz NFMDPLVKUWFQJV-CYBMUJFWSA-N 2 0 292.387 0.794 20 30 CCEDRP C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594439703 360308538 /nfs/dbraw/zinc/30/85/38/360308538.db2.gz YTEOOUVDPZHYKI-LBPRGKRZSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594442327 360309863 /nfs/dbraw/zinc/30/98/63/360309863.db2.gz PIAXVUUAPXDPLU-SRVKXCTJSA-N 2 0 252.362 0.654 20 30 CCEDRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441650 360309949 /nfs/dbraw/zinc/30/99/49/360309949.db2.gz UFJCOWURJFIZCJ-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000594442388 360310089 /nfs/dbraw/zinc/31/00/89/360310089.db2.gz QVVQNZLZJIDLNJ-SRVKXCTJSA-N 2 0 252.362 0.784 20 30 CCEDRP C[NH+](C)[C@]1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCSC1 ZINC000594441286 360310421 /nfs/dbraw/zinc/31/04/21/360310421.db2.gz QNIMPQPXPVCHJN-JSGCOSHPSA-N 2 0 298.456 0.951 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000594454016 360317020 /nfs/dbraw/zinc/31/70/20/360317020.db2.gz RDKGTIQVWSLJRY-ZDUSSCGKSA-N 2 0 266.389 0.904 20 30 CCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594457190 360318776 /nfs/dbraw/zinc/31/87/76/360318776.db2.gz VTEVKBMNSFTAEM-QWRGUYRKSA-N 2 0 254.378 0.887 20 30 CCEDRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595938345 360715147 /nfs/dbraw/zinc/71/51/47/360715147.db2.gz OOOMWOPPEITYOO-RYUDHWBXSA-N 2 0 266.389 0.997 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCC1 ZINC000595968313 360742484 /nfs/dbraw/zinc/74/24/84/360742484.db2.gz XJBZQVKNVJKYRB-NSHDSACASA-N 2 0 252.362 0.785 20 30 CCEDRP C=CCN1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631909234 370756678 /nfs/dbraw/zinc/75/66/78/370756678.db2.gz YBYIDZUBBGVUFH-UHFFFAOYSA-N 2 0 289.445 0.508 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574287479 335006898 /nfs/dbraw/zinc/00/68/98/335006898.db2.gz GVXZSAGRRCZWLP-MBHSVXNSSA-N 2 0 264.373 0.737 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000638099445 374664176 /nfs/dbraw/zinc/66/41/76/374664176.db2.gz ILYQMCVBGYOGPU-MRXNPFEDSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCNC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840789 389274322 /nfs/dbraw/zinc/27/43/22/389274322.db2.gz GPIKQSWZHKTCES-ZDUSSCGKSA-N 2 0 251.374 0.706 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000344062193 389277451 /nfs/dbraw/zinc/27/74/51/389277451.db2.gz MVGDCWKJAKAQAD-HNNXBMFYSA-N 2 0 296.459 0.589 20 30 CCEDRP CNC(=[NH2+])NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264108540 389306908 /nfs/dbraw/zinc/30/69/08/389306908.db2.gz QDORUJFVUSRZJJ-UHFFFAOYSA-N 2 0 289.427 0.728 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccn(C)c1 ZINC000267354778 389370188 /nfs/dbraw/zinc/37/01/88/389370188.db2.gz VMGRDCWBECMVMG-ZDUSSCGKSA-N 2 0 263.389 0.914 20 30 CCEDRP C=CCNC(=O)CN1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163322564 389427491 /nfs/dbraw/zinc/42/74/91/389427491.db2.gz HUEGXOJAFQYLTB-OAHLLOKOSA-N 2 0 294.443 0.391 20 30 CCEDRP OC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CO)C2)C1 ZINC000351606154 389631157 /nfs/dbraw/zinc/63/11/57/389631157.db2.gz AYJXTFFGZXWIEV-IYBDPMFKSA-N 2 0 280.412 0.398 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000565096803 390499660 /nfs/dbraw/zinc/49/96/60/390499660.db2.gz YQAIQGSIGNHKBM-CYBMUJFWSA-N 2 0 251.374 0.834 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645944950 390542108 /nfs/dbraw/zinc/54/21/08/390542108.db2.gz OIMYHMVEOIIEDQ-LBPRGKRZSA-N 2 0 251.374 0.751 20 30 CCEDRP CC[N@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)C1CC1 ZINC000532762256 390884979 /nfs/dbraw/zinc/88/49/79/390884979.db2.gz JHTZJIZMFFSBGL-UHFFFAOYSA-N 2 0 264.373 0.575 20 30 CCEDRP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)CN1CC[NH+](C)CC1 ZINC000190952665 130165325 /nfs/dbraw/zinc/16/53/25/130165325.db2.gz QJVQYDKJADEMMZ-CQSZACIVSA-N 2 0 289.427 0.870 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345416 412033350 /nfs/dbraw/zinc/03/33/50/412033350.db2.gz BHYAFSVFLPRRHF-IHRRRGAJSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346909 412033716 /nfs/dbraw/zinc/03/37/16/412033716.db2.gz LGPPFDPTKBADHJ-AJNGGQMLSA-N 2 0 295.427 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CCC[NH2+]1 ZINC000662761578 414770484 /nfs/dbraw/zinc/77/04/84/414770484.db2.gz OIKPCAITVIOQOJ-MBNYWOFBSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000662668660 414739062 /nfs/dbraw/zinc/73/90/62/414739062.db2.gz ORNWJPOTQPUUHO-CQSZACIVSA-N 2 0 251.374 0.897 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000104175108 261289329 /nfs/dbraw/zinc/28/93/29/261289329.db2.gz QUOAVJFWVBXZLQ-UHFFFAOYSA-N 2 0 253.394 0.104 20 30 CCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOCCC#N)CC1 ZINC000339033059 262586044 /nfs/dbraw/zinc/58/60/44/262586044.db2.gz HDSJRQVPVLTTLI-UHFFFAOYSA-N 2 0 296.415 0.306 20 30 CCEDRP CC1(C)C[N@H+](CC#CC[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000342181643 263394083 /nfs/dbraw/zinc/39/40/83/263394083.db2.gz ZWYZIDPGDPPLAJ-OKILXGFUSA-N 2 0 280.412 0.395 20 30 CCEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632912 267027176 /nfs/dbraw/zinc/02/71/76/267027176.db2.gz GYAFATGXAYFRPQ-ZIAGYGMSSA-N 2 0 280.416 0.878 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[NH+](C)C)CC1 ZINC000067130250 326866959 /nfs/dbraw/zinc/86/69/59/326866959.db2.gz SOQOAWBBEKSQMP-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262489290 330017184 /nfs/dbraw/zinc/01/71/84/330017184.db2.gz UIKNCOGIMNJJSR-KGLIPLIRSA-N 2 0 282.432 1.000 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000262501536 330018114 /nfs/dbraw/zinc/01/81/14/330018114.db2.gz YPFBIHGHKQWUCN-STQMWFEESA-N 2 0 268.405 0.896 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000424064501 330219097 /nfs/dbraw/zinc/21/90/97/330219097.db2.gz ZPMOOVKWZQLKHQ-LLVKDONJSA-N 2 0 252.362 0.785 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424074744 330220585 /nfs/dbraw/zinc/22/05/85/330220585.db2.gz HVCUHFUPXPHWOD-WCQYABFASA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000424127009 330259257 /nfs/dbraw/zinc/25/92/57/330259257.db2.gz CNYWAJUZDNBWDS-AWEZNQCLSA-N 2 0 278.400 0.998 20 30 CCEDRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424156144 330303704 /nfs/dbraw/zinc/30/37/04/330303704.db2.gz NQTNIWQVMRTRGV-RYUDHWBXSA-N 2 0 254.378 0.854 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000424164731 330308068 /nfs/dbraw/zinc/30/80/68/330308068.db2.gz DWZXCVACPXPUNR-OCCSQVGLSA-N 2 0 264.373 0.610 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000490713557 332107094 /nfs/dbraw/zinc/10/70/94/332107094.db2.gz KUEXTYGUJJLVQV-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000490897872 332126845 /nfs/dbraw/zinc/12/68/45/332126845.db2.gz GHGQNBRKSVXRPP-KGLIPLIRSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491165103 332159517 /nfs/dbraw/zinc/15/95/17/332159517.db2.gz IPGQSMKMZSHJHO-PBWFPOADSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000491386857 332202507 /nfs/dbraw/zinc/20/25/07/332202507.db2.gz WLJNQFGAAJXZBJ-OKILXGFUSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000491430888 332210584 /nfs/dbraw/zinc/21/05/84/332210584.db2.gz ZMVWZCBULBLALK-UHFFFAOYSA-N 2 0 280.416 0.679 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000491681725 332284959 /nfs/dbraw/zinc/28/49/59/332284959.db2.gz ODVBAUDXWAUWLB-UHFFFAOYSA-N 2 0 252.362 0.073 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000491694591 332290402 /nfs/dbraw/zinc/29/04/02/332290402.db2.gz LKHUVRMMOWPHMG-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCNC(=O)CC[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000491740319 332319303 /nfs/dbraw/zinc/31/93/03/332319303.db2.gz UYYQNKFZZRIXGF-UHFFFAOYSA-N 2 0 256.309 0.563 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000491803421 332357441 /nfs/dbraw/zinc/35/74/41/332357441.db2.gz JDWYQRHHJWJRDF-UONOGXRCSA-N 2 0 280.416 0.568 20 30 CCEDRP CN(C)C1(C[NH2+]C[C@@H](O)CN(C)CCC#N)CCCC1 ZINC000576028925 335143219 /nfs/dbraw/zinc/14/32/19/335143219.db2.gz DUXQCDDLGXILSK-CQSZACIVSA-N 2 0 282.432 0.657 20 30 CCEDRP C=CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000665946332 545110388 /nfs/dbraw/zinc/11/03/88/545110388.db2.gz WAHUPEQSZBCSOU-UHFFFAOYSA-N 2 0 256.394 0.697 20 30 CCEDRP COC(=O)CC[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000788693200 581122652 /nfs/dbraw/zinc/12/26/52/581122652.db2.gz HUBHKVBVRGEZJN-UHFFFAOYSA-N 2 0 251.290 0.141 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000729920505 581620949 /nfs/dbraw/zinc/62/09/49/581620949.db2.gz GJZINULYIUHPMK-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000732061648 581800058 /nfs/dbraw/zinc/80/00/58/581800058.db2.gz IWRVBEWVNIMRRS-HNNXBMFYSA-N 2 0 293.411 0.265 20 30 CCEDRP C#CCCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000745900091 581891028 /nfs/dbraw/zinc/89/10/28/581891028.db2.gz XFOLAWJCZJTURX-UHFFFAOYSA-N 2 0 268.405 0.535 20 30 CCEDRP C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000875924970 613033259 /nfs/dbraw/zinc/03/32/59/613033259.db2.gz YFIQXJDEIMPCCX-AWEZNQCLSA-N 2 0 298.431 0.160 20 30 CCEDRP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000964378646 612955836 /nfs/dbraw/zinc/95/58/36/612955836.db2.gz QDNIFPMVIJJBCK-WLYUNCDWSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877003992 613388339 /nfs/dbraw/zinc/38/83/39/613388339.db2.gz FJLZAPCIVUDASL-NXEZZACHSA-N 2 0 257.765 0.857 20 30 CCEDRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884036549 614181623 /nfs/dbraw/zinc/18/16/23/614181623.db2.gz YGPLXDPEAYKXBR-HCWKNACYSA-N 2 0 278.400 0.615 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939809157 612968793 /nfs/dbraw/zinc/96/87/93/612968793.db2.gz HYUKTSKLVDQVOC-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919024 613026253 /nfs/dbraw/zinc/02/62/53/613026253.db2.gz MEDNIRPXSDMPPP-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960177035 613044320 /nfs/dbraw/zinc/04/43/20/613044320.db2.gz UZXHKEUOLUVGDZ-QXSJWSMHSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000962768978 613044387 /nfs/dbraw/zinc/04/43/87/613044387.db2.gz YEZQLKKVQKOWJT-QXSJWSMHSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CCN(C(=O)N[C@@H](C)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000922481105 613067642 /nfs/dbraw/zinc/06/76/42/613067642.db2.gz PFPZCJXSSQRDSR-ZDUSSCGKSA-N 2 0 280.416 0.676 20 30 CCEDRP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886575575 613069554 /nfs/dbraw/zinc/06/95/54/613069554.db2.gz ANNWRBYDSKWFED-ZDUSSCGKSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861633959 613076835 /nfs/dbraw/zinc/07/68/35/613076835.db2.gz ALTUWLXUIFOMGI-STQMWFEESA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000920404210 613135450 /nfs/dbraw/zinc/13/54/50/613135450.db2.gz LUIMWIQILWSFCK-ZFWWWQNUSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151529 613256886 /nfs/dbraw/zinc/25/68/86/613256886.db2.gz ABPHDYFEEUTISA-KBPBESRZSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980244717 613306896 /nfs/dbraw/zinc/30/68/96/613306896.db2.gz YNVADYXVBOXRDY-ARFHVFGLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978624876 613309285 /nfs/dbraw/zinc/30/92/85/613309285.db2.gz BQOUJWPEYPLHPI-UVPYHEFZSA-N 2 0 289.423 0.644 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962279214 613313620 /nfs/dbraw/zinc/31/36/20/613313620.db2.gz IEONWAYAESNPAT-RMRHIDDWSA-N 2 0 261.369 0.008 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000900601798 613364031 /nfs/dbraw/zinc/36/40/31/613364031.db2.gz OKBWMLQNTDACBC-CABCVRRESA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000910927522 613364431 /nfs/dbraw/zinc/36/44/31/613364431.db2.gz ALAQOAAELHPEAI-KGLIPLIRSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000854641853 613366061 /nfs/dbraw/zinc/36/60/61/613366061.db2.gz GBTLXCMFPZSRMW-KBPBESRZSA-N 2 0 281.400 0.426 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429671 613366162 /nfs/dbraw/zinc/36/61/62/613366162.db2.gz IKLIWMRYZITDHF-AWEZNQCLSA-N 2 0 283.416 0.673 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876920427 613387421 /nfs/dbraw/zinc/38/74/21/613387421.db2.gz RHDASPMAFGKTMY-NXEZZACHSA-N 2 0 261.753 0.033 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000876881747 613389373 /nfs/dbraw/zinc/38/93/73/613389373.db2.gz OBTYLHIIAYKNCY-NSHDSACASA-N 2 0 257.765 0.763 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000876742583 613389689 /nfs/dbraw/zinc/38/96/89/613389689.db2.gz ZBLIVGUOIAXEBI-NSHDSACASA-N 2 0 259.781 0.914 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC000852880491 613409716 /nfs/dbraw/zinc/40/97/16/613409716.db2.gz AQGKBQYWWCEAJP-JQWIXIFHSA-N 2 0 273.327 0.798 20 30 CCEDRP C=CC[C@H](C)[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000883425060 613413257 /nfs/dbraw/zinc/41/32/57/613413257.db2.gz KOTRGOYSTGDMHH-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950510232 613508468 /nfs/dbraw/zinc/50/84/68/613508468.db2.gz OFMAIUSRUDOVKL-KGLIPLIRSA-N 2 0 265.401 0.904 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970372245 613530869 /nfs/dbraw/zinc/53/08/69/613530869.db2.gz PDCXBYCFUYKUCS-CYBMUJFWSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962144028 613633304 /nfs/dbraw/zinc/63/33/04/613633304.db2.gz VUIXSOOKFBVUCL-QLPKVWCKSA-N 2 0 289.423 0.788 20 30 CCEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895098062 613649935 /nfs/dbraw/zinc/64/99/35/613649935.db2.gz IMWGQAZPYBWTIP-AWEZNQCLSA-N 2 0 268.401 0.586 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000891521209 613675025 /nfs/dbraw/zinc/67/50/25/613675025.db2.gz FDBHKSIVNFLQSG-NWDGAFQWSA-N 2 0 266.389 0.768 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923451393 613739235 /nfs/dbraw/zinc/73/92/35/613739235.db2.gz LLVVGYORCYOWSL-UONOGXRCSA-N 2 0 293.411 0.603 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884430096 614163808 /nfs/dbraw/zinc/16/38/08/614163808.db2.gz DSVYXSCSIJHIRC-WJEHIRDRSA-N 2 0 290.411 0.582 20 30 CCEDRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884042005 614225744 /nfs/dbraw/zinc/22/57/44/614225744.db2.gz NISJWVCNEPYEPO-MYMJJRTCSA-N 2 0 292.427 0.958 20 30 CCEDRP CCNC(NCC(C)(C)N1CC[NH+](C)CC1)=[NH+]CC ZINC000848984114 614420231 /nfs/dbraw/zinc/42/02/31/614420231.db2.gz POMLKLGDEBSDSX-UHFFFAOYSA-N 2 0 269.437 0.587 20 30 CCEDRP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844195706 614999474 /nfs/dbraw/zinc/99/94/74/614999474.db2.gz YJCSPPAHDQPYSN-VXGBXAGGSA-N 2 0 284.429 0.289 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864708 615112854 /nfs/dbraw/zinc/11/28/54/615112854.db2.gz FKIZQEJZJIVRHX-OAHLLOKOSA-N 2 0 277.412 0.980 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000104172416 615270769 /nfs/dbraw/zinc/27/07/69/615270769.db2.gz DFLFMUUEZOCBAC-LLVKDONJSA-N 2 0 256.419 0.692 20 30 CCEDRP CC[C@@H]1[C@@H](C(=O)NCC#CC[NH+](C)C)CC[N@@H+]1C ZINC000913523608 615584768 /nfs/dbraw/zinc/58/47/68/615584768.db2.gz GOSSJRHKLAOKGQ-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1(C[NH3+])CCC1 ZINC000884299932 615799326 /nfs/dbraw/zinc/79/93/26/615799326.db2.gz JVRURANQMYPSMN-MBHSVXNSSA-N 2 0 276.384 0.466 20 30 CCEDRP CN(CCCNC1=[NH+]CCCN1C)CC[NH+](C)C ZINC000849028191 615891989 /nfs/dbraw/zinc/89/19/89/615891989.db2.gz IJMMCVSKOLYBKO-UHFFFAOYSA-N 2 0 255.410 0.151 20 30 CCEDRP C[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876710583 616173847 /nfs/dbraw/zinc/17/38/47/616173847.db2.gz LPXFAVYJPXCNJZ-INIZCTEOSA-N 2 0 298.390 0.955 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899909643 616176914 /nfs/dbraw/zinc/17/69/14/616176914.db2.gz FZWQKKFOQUORNW-AWEZNQCLSA-N 2 0 280.416 0.363 20 30 CCEDRP C[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884197667 616206754 /nfs/dbraw/zinc/20/67/54/616206754.db2.gz ARRHKVMYFAQMEZ-ICRTXTNUSA-N 2 0 276.384 0.336 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165263 625288853 /nfs/dbraw/zinc/28/88/53/625288853.db2.gz QMBIZASISMYVPG-JOCQHMNTSA-N 2 0 291.399 0.481 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236659592 625310721 /nfs/dbraw/zinc/31/07/21/625310721.db2.gz WIPGQPYQLGQQIL-CYBMUJFWSA-N 2 0 283.441 0.848 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022836952 622789086 /nfs/dbraw/zinc/78/90/86/622789086.db2.gz GZTSTCXVFXRTMH-XGUBFFRZSA-N 2 0 275.396 0.873 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910267 623813387 /nfs/dbraw/zinc/81/33/87/623813387.db2.gz UXNQMESYGIPGLY-GFCCVEGCSA-N 2 0 283.420 0.243 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598214 623842346 /nfs/dbraw/zinc/84/23/46/623842346.db2.gz WHNDEUWITHGAKV-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001021092718 624658100 /nfs/dbraw/zinc/65/81/00/624658100.db2.gz RNRMVMJPPHUTAU-SHTZXODSSA-N 2 0 273.380 0.202 20 30 CCEDRP C=CCN1CC[C@H]([N@H+](C)CC2CC[NH2+]CC2)C1=O ZINC000261951908 624882041 /nfs/dbraw/zinc/88/20/41/624882041.db2.gz OBMKEIUNAUOVKR-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001022370379 624939277 /nfs/dbraw/zinc/93/92/77/624939277.db2.gz INKQELYCTLAHND-BETUJISGSA-N 2 0 268.320 0.818 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000104175814 630775284 /nfs/dbraw/zinc/77/52/84/630775284.db2.gz UWSRZTUXPNCZET-NSHDSACASA-N 2 0 256.419 0.690 20 30 CCEDRP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261979797 631741627 /nfs/dbraw/zinc/74/16/27/631741627.db2.gz OQKSXNIMQGRBDO-IACUBPJLSA-N 2 0 296.415 0.050 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000985648031 632607893 /nfs/dbraw/zinc/60/78/93/632607893.db2.gz TWVMUENYGYHEJZ-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC)C[C@@H]2C)CC1 ZINC000989828790 633364751 /nfs/dbraw/zinc/36/47/51/633364751.db2.gz ITZQOMOPZCPCST-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@]2(CCOC2)C1 ZINC000158093666 636999821 /nfs/dbraw/zinc/99/98/21/636999821.db2.gz SAXPUPBSGVWYDG-ZFWWWQNUSA-N 2 0 280.416 0.626 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908622 637103422 /nfs/dbraw/zinc/10/34/22/637103422.db2.gz HSTAYAHJJQKCPN-AWEZNQCLSA-N 3 0 281.448 0.861 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920202 638804548 /nfs/dbraw/zinc/80/45/48/638804548.db2.gz TXQOZUAKIJBEBE-AWEZNQCLSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000996612551 638824635 /nfs/dbraw/zinc/82/46/35/638824635.db2.gz UNDCHJOLIFXIED-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000081755 639037470 /nfs/dbraw/zinc/03/74/70/639037470.db2.gz MXZMYQZRZSEMSQ-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000377933 639080987 /nfs/dbraw/zinc/08/09/87/639080987.db2.gz LPYUXOLAUDPUDX-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCN2CCOCC2)C1 ZINC001000458769 639091461 /nfs/dbraw/zinc/09/14/61/639091461.db2.gz BVJJGENJCLCPER-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001005990962 640059892 /nfs/dbraw/zinc/05/98/92/640059892.db2.gz KXZBOEINJXINID-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016251536 650705706 /nfs/dbraw/zinc/70/57/06/650705706.db2.gz VPXQOMOGPZVPFY-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000831971312 642423511 /nfs/dbraw/zinc/42/35/11/642423511.db2.gz VFJAXYZLGSDJAH-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016631674 650750676 /nfs/dbraw/zinc/75/06/76/650750676.db2.gz ABRSMAOCQJOAKG-RBSFLKMASA-N 2 0 289.423 0.931 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000834484276 642574058 /nfs/dbraw/zinc/57/40/58/642574058.db2.gz GPEJEFQPILJKAM-YPJKKVEASA-N 2 0 276.384 0.368 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000834485479 642578287 /nfs/dbraw/zinc/57/82/87/642578287.db2.gz XIXVTHGWRYLMLB-HUUCEWRRSA-N 2 0 284.363 0.216 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCCC1 ZINC000852855605 644025645 /nfs/dbraw/zinc/02/56/45/644025645.db2.gz KEUJUVYEEHJJGF-UHFFFAOYSA-N 2 0 263.385 0.592 20 30 CCEDRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@H]21 ZINC000852874813 644036277 /nfs/dbraw/zinc/03/62/77/644036277.db2.gz CGZIQVNPOSJBFB-RRFJBIMHSA-N 2 0 275.396 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000852882062 644040783 /nfs/dbraw/zinc/04/07/83/644040783.db2.gz WWQFBDXICWSEFW-UHFFFAOYSA-N 2 0 275.396 0.592 20 30 CCEDRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885012 644042207 /nfs/dbraw/zinc/04/22/07/644042207.db2.gz RLNGLYVGYKUJJU-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCCC1CC[NH2+]CC1 ZINC000852897375 644049917 /nfs/dbraw/zinc/04/99/17/644049917.db2.gz PMSUTYCKNFZTOU-UHFFFAOYSA-N 2 0 263.385 0.495 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001018971839 650925570 /nfs/dbraw/zinc/92/55/70/650925570.db2.gz WKGNPJIBBIRGAL-LBPRGKRZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001019631000 650994284 /nfs/dbraw/zinc/99/42/84/650994284.db2.gz RYKNQJJFQLKYLY-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC000872265031 646233399 /nfs/dbraw/zinc/23/33/99/646233399.db2.gz JUDHSSFZNOMAPC-IYBDPMFKSA-N 2 0 275.396 0.447 20 30 CCEDRP C[C@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876806203 646671296 /nfs/dbraw/zinc/67/12/96/646671296.db2.gz KZBMSYXHEAJDAP-RNCFNFMXSA-N 2 0 258.325 0.208 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000876869577 646687117 /nfs/dbraw/zinc/68/71/17/646687117.db2.gz HKRUGNYMROCZRC-INWMFGNUSA-N 2 0 298.390 0.989 20 30 CCEDRP C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C[NH3+])C1 ZINC000884412207 647731382 /nfs/dbraw/zinc/73/13/82/647731382.db2.gz LDINIFPAQJMCRB-JCLLTIBYSA-N 2 0 290.411 0.712 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160772 648203715 /nfs/dbraw/zinc/20/37/15/648203715.db2.gz CSSAKIFFTPGITM-UONOGXRCSA-N 2 0 299.463 0.198 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCCCC1 ZINC000104176344 648204718 /nfs/dbraw/zinc/20/47/18/648204718.db2.gz TWOWSSOFZIORTE-ZDUSSCGKSA-N 2 0 268.405 0.755 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000104172557 648204736 /nfs/dbraw/zinc/20/47/36/648204736.db2.gz CQEMSSBZEZGGJA-GHMZBOCLSA-N 2 0 254.378 0.410 20 30 CCEDRP CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303263941 649813534 /nfs/dbraw/zinc/81/35/34/649813534.db2.gz RKWNNKCFCRIWBI-UHFFFAOYSA-N 2 0 256.419 0.882 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)C ZINC000303708992 649824045 /nfs/dbraw/zinc/82/40/45/649824045.db2.gz NLXQTHZBYZVHTE-GFCCVEGCSA-N 3 0 255.410 0.327 20 30 CCEDRP CCCNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303884756 649826315 /nfs/dbraw/zinc/82/63/15/649826315.db2.gz JHRUAXMIAKYEOY-UHFFFAOYSA-N 2 0 283.420 0.278 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H](C)[N@H+](C)C1CC1 ZINC000303990940 649827906 /nfs/dbraw/zinc/82/79/06/649827906.db2.gz ZCCKBDAYPOQZLJ-NSHDSACASA-N 2 0 256.394 0.800 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000303983672 649828073 /nfs/dbraw/zinc/82/80/73/649828073.db2.gz RLHNRYFGQCPTCK-LBPRGKRZSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000304526110 649836585 /nfs/dbraw/zinc/83/65/85/649836585.db2.gz ZMTFXRXZLSCLDF-JTQLQIEISA-N 2 0 293.371 0.267 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230141995 805583742 /nfs/dbraw/zinc/58/37/42/805583742.db2.gz ZDOIIPQUWHGTLY-RRFJBIMHSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266288169 790419312 /nfs/dbraw/zinc/41/93/12/790419312.db2.gz BHHPPENCMZXDBN-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CN(C)CCO1)C(C)C ZINC001277561742 805849019 /nfs/dbraw/zinc/84/90/19/805849019.db2.gz CDEFRFCZBXRMAS-ZIAGYGMSSA-N 2 0 281.400 0.071 20 30 CCEDRP CC#CC[NH2+]CCCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001277608815 805896899 /nfs/dbraw/zinc/89/68/99/805896899.db2.gz PXBIPMFRTFVJKS-UHFFFAOYSA-N 2 0 293.411 0.218 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cncn1C ZINC001277717518 805981795 /nfs/dbraw/zinc/98/17/95/805981795.db2.gz NQNRRKWGBRSRJD-CQSZACIVSA-N 2 0 274.368 0.422 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001266995304 791429477 /nfs/dbraw/zinc/42/94/77/791429477.db2.gz QSBZZSSTHJQUPE-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267133175 791579152 /nfs/dbraw/zinc/57/91/52/791579152.db2.gz ZUWVTBVKMWJCQL-CQSZACIVSA-N 2 0 295.427 0.605 20 30 CCEDRP COCC#CC[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001267232880 791716234 /nfs/dbraw/zinc/71/62/34/791716234.db2.gz OETIWOYIZFZLQN-UHFFFAOYSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH3+])CCc1ccccc1 ZINC001121937175 799100692 /nfs/dbraw/zinc/10/06/92/799100692.db2.gz OPJCZPIJWFLESB-UHFFFAOYSA-N 2 0 259.353 0.239 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001122064930 799134379 /nfs/dbraw/zinc/13/43/79/799134379.db2.gz CJHCRFUMIZQOKV-ZDUSSCGKSA-N 2 0 298.431 0.148 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122386894 799219785 /nfs/dbraw/zinc/21/97/85/799219785.db2.gz ONVAOVWJOXOBHW-CQSZACIVSA-N 2 0 281.400 0.649 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240061 800324658 /nfs/dbraw/zinc/32/46/58/800324658.db2.gz AXMFEJJHTATLSY-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151814692 800461625 /nfs/dbraw/zinc/46/16/25/800461625.db2.gz JGFAVABWJSPUFW-OAHLLOKOSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156901617 801259724 /nfs/dbraw/zinc/25/97/24/801259724.db2.gz QBKTYNLOMDOPGL-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001157804194 801488551 /nfs/dbraw/zinc/48/85/51/801488551.db2.gz NRCWTLKZEHGVEM-YPMHNXCESA-N 2 0 251.374 0.834 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@H](C[NH3+])[C@@H]2C)CCC[NH2+]1 ZINC001157845146 801499083 /nfs/dbraw/zinc/49/90/83/801499083.db2.gz ZZGYWSCWXWNIMI-GZBFAFLISA-N 2 0 263.385 0.718 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869165 801884126 /nfs/dbraw/zinc/88/41/26/801884126.db2.gz UMDWJAJAKBVKGR-HNNXBMFYSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160912833 802046961 /nfs/dbraw/zinc/04/69/61/802046961.db2.gz PNSQOEKQEHZQTG-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161138648 802099949 /nfs/dbraw/zinc/09/99/49/802099949.db2.gz CJDRYZONWSEATC-DCAQKATOSA-N 2 0 256.325 0.166 20 30 CCEDRP N#CCc1cc(N[C@@H]2COCCC23C[NH2+]C3)cc[nH+]1 ZINC001163079161 802476133 /nfs/dbraw/zinc/47/61/33/802476133.db2.gz KOGWDFBHIQNHKD-CYBMUJFWSA-N 2 0 258.325 0.360 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224485 802507931 /nfs/dbraw/zinc/50/79/31/802507931.db2.gz WAXUAOWPJHXTBX-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[C@H]3C[C@@]3([NH3+])C1)C[NH2+]CCC2 ZINC001165324408 802822246 /nfs/dbraw/zinc/82/22/46/802822246.db2.gz KJTULZIRQKEOTO-BLLLJJGKSA-N 2 0 283.379 0.917 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485448 802846954 /nfs/dbraw/zinc/84/69/54/802846954.db2.gz WSKCLNPQMJKPCZ-CQSZACIVSA-N 2 0 277.412 0.836 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626951 802926565 /nfs/dbraw/zinc/92/65/65/802926565.db2.gz MZJAMYXXFBGZCK-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166690416 802938854 /nfs/dbraw/zinc/93/88/54/802938854.db2.gz ABSSRTMERNRSKF-QWHCGFSZSA-N 2 0 251.374 0.303 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203698885 803041133 /nfs/dbraw/zinc/04/11/33/803041133.db2.gz CRPHMFYEJZQSDG-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)nc1 ZINC001205228584 803127730 /nfs/dbraw/zinc/12/77/30/803127730.db2.gz GGXMXRSNZUBGDM-CQSZACIVSA-N 2 0 260.341 0.629 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206274271 803222275 /nfs/dbraw/zinc/22/22/75/803222275.db2.gz GONPSYHGAGQEGT-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276641329 803605703 /nfs/dbraw/zinc/60/57/03/803605703.db2.gz LNIHKNGEKSPXJF-HUUCEWRRSA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685274 803657726 /nfs/dbraw/zinc/65/77/26/803657726.db2.gz RKFPDSYUXIBQPW-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346217 803691350 /nfs/dbraw/zinc/69/13/50/803691350.db2.gz CNOREKCXGYEHRC-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378486 803692366 /nfs/dbraw/zinc/69/23/66/803692366.db2.gz SNOPJGYJSZUDDT-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001272091189 814967543 /nfs/dbraw/zinc/96/75/43/814967543.db2.gz PHKMSOQOMSGINU-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755914 803855687 /nfs/dbraw/zinc/85/56/87/803855687.db2.gz KBXFOFCCMJVPSR-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP Cc1noc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c1C#N ZINC001218503035 803970166 /nfs/dbraw/zinc/97/01/66/803970166.db2.gz KYCQWOIBYXCOAP-NSHDSACASA-N 2 0 279.344 0.852 20 30 CCEDRP CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218582310 804019899 /nfs/dbraw/zinc/01/98/99/804019899.db2.gz WEIYLULYBGAPFW-GFCCVEGCSA-N 2 0 299.378 0.630 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218979019 804172729 /nfs/dbraw/zinc/17/27/29/804172729.db2.gz GXHYXGWQVWXCSS-SNVBAGLBSA-N 2 0 262.313 0.572 20 30 CCEDRP [NH3+][C@@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220343467 804579753 /nfs/dbraw/zinc/57/97/53/804579753.db2.gz PRVDUNIQZFAPPB-BSPAPZMXSA-N 2 0 279.262 0.075 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220413886 804598755 /nfs/dbraw/zinc/59/87/55/804598755.db2.gz SIHYWZYKOLNVJA-LBPRGKRZSA-N 2 0 267.373 0.832 20 30 CCEDRP N#CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCOCC1 ZINC001220966956 804710330 /nfs/dbraw/zinc/71/03/30/804710330.db2.gz MGVMLQRLEIWNIE-LBPRGKRZSA-N 2 0 292.383 0.050 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)NCCCC[NH3+] ZINC001221344684 804783128 /nfs/dbraw/zinc/78/31/28/804783128.db2.gz CKRGSHOROMNGEL-AWEZNQCLSA-N 2 0 274.368 0.673 20 30 CCEDRP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OC ZINC001221381496 804795200 /nfs/dbraw/zinc/79/52/00/804795200.db2.gz DMTMICUWOHEYGA-GXFFZTMASA-N 2 0 271.361 0.067 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791251 804845116 /nfs/dbraw/zinc/84/51/16/804845116.db2.gz CSWZFPQSASPEIH-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980985 815041880 /nfs/dbraw/zinc/04/18/80/815041880.db2.gz PNLZVECUUBXJEW-SLTAFYQDSA-N 2 0 293.411 0.072 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223465237 804972815 /nfs/dbraw/zinc/97/28/15/804972815.db2.gz GEXURHLPEYKNHE-HNNXBMFYSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276908224 804982060 /nfs/dbraw/zinc/98/20/60/804982060.db2.gz DSRBWOIMSIMGQH-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001277092526 805187155 /nfs/dbraw/zinc/18/71/55/805187155.db2.gz FSKWYDZFZHHUGI-JOCQHMNTSA-N 2 0 253.390 0.997 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001075940425 815066416 /nfs/dbraw/zinc/06/64/16/815066416.db2.gz ORRULOXMNXGVMG-RRFJBIMHSA-N 2 0 277.412 0.883 20 30 CCEDRP N#Cc1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246077232 807143993 /nfs/dbraw/zinc/14/39/93/807143993.db2.gz QXCDAWATIBFVEX-CQSZACIVSA-N 2 0 256.353 0.742 20 30 CCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)Cc2cncn2C)C1 ZINC001278438886 807199028 /nfs/dbraw/zinc/19/90/28/807199028.db2.gz YIFJOVXMMHWHPT-AWEZNQCLSA-N 2 0 262.357 0.729 20 30 CCEDRP N#Cc1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)ccc1F ZINC001246270833 807204964 /nfs/dbraw/zinc/20/49/64/807204964.db2.gz NJONZZZNCXKIKT-CYBMUJFWSA-N 2 0 274.343 0.881 20 30 CCEDRP C[C@@H]1CC[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246558636 807288584 /nfs/dbraw/zinc/28/85/84/807288584.db2.gz NOKGMNSBYCRBPL-ZOBORPQBSA-N 2 0 250.390 0.937 20 30 CCEDRP C[C@H](CCCC#N)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246818680 807392907 /nfs/dbraw/zinc/39/29/07/807392907.db2.gz DAAMFZQQOMMIOE-CQSZACIVSA-N 2 0 267.421 0.153 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001251821812 807709813 /nfs/dbraw/zinc/70/98/13/807709813.db2.gz YBMAQUKXCINYSN-OAHLLOKOSA-N 2 0 275.352 0.214 20 30 CCEDRP C#CCOC[C@@H](O)CN1CCC([N@H+](C)C2CC2)CC1 ZINC001251855038 807722989 /nfs/dbraw/zinc/72/29/89/807722989.db2.gz QZMPGKCELOKNTI-HNNXBMFYSA-N 2 0 266.385 0.556 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001251881512 807732867 /nfs/dbraw/zinc/73/28/67/807732867.db2.gz WNSLKXDTKDMPIO-CQSZACIVSA-N 2 0 254.374 0.460 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001251896878 807740891 /nfs/dbraw/zinc/74/08/91/807740891.db2.gz PELLPFQKIOZVMC-MGPQQGTHSA-N 2 0 254.374 0.460 20 30 CCEDRP C=C[C@](C)(O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252576599 807913493 /nfs/dbraw/zinc/91/34/93/807913493.db2.gz MRWCUHUITNAYCG-AWEZNQCLSA-N 2 0 255.406 0.539 20 30 CCEDRP C=C[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253581556 808087080 /nfs/dbraw/zinc/08/70/80/808087080.db2.gz IZAQHCLFURJTBI-HZSPNIEDSA-N 2 0 253.390 0.244 20 30 CCEDRP C=C[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001253608781 808096030 /nfs/dbraw/zinc/09/60/30/808096030.db2.gz HATNQNSYJYIQSJ-MGPQQGTHSA-N 2 0 254.374 0.766 20 30 CCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001278737969 808126913 /nfs/dbraw/zinc/12/69/13/808126913.db2.gz XJRBBMXOKKSJBW-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263878917 809597363 /nfs/dbraw/zinc/59/73/63/809597363.db2.gz JBYXLCTXRQGORL-SHTZXODSSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001264538854 809662278 /nfs/dbraw/zinc/66/22/78/809662278.db2.gz NCHSZAUDCQKVTJ-RBSFLKMASA-N 2 0 293.411 0.024 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC)CC1 ZINC001265073333 809702698 /nfs/dbraw/zinc/70/26/98/809702698.db2.gz XIKBYUVKQSESQE-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569117 815311308 /nfs/dbraw/zinc/31/13/08/815311308.db2.gz KDSZDEPPNVQFTD-RRFJBIMHSA-N 2 0 275.396 0.494 20 30 CCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265254281 809732461 /nfs/dbraw/zinc/73/24/61/809732461.db2.gz FVJIEZYIRVUUGW-HNNXBMFYSA-N 2 0 294.443 0.248 20 30 CCEDRP C#CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001265655166 809820223 /nfs/dbraw/zinc/82/02/23/809820223.db2.gz BCKNVRJOIJKABN-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266013598 809917392 /nfs/dbraw/zinc/91/73/92/809917392.db2.gz YYPCPOQSKQFSOR-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP CC[C@H](C(=O)N(C)C1CC([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001279316018 809974577 /nfs/dbraw/zinc/97/45/77/809974577.db2.gz VDKVXVHOLNOHBT-YMAMQOFZSA-N 2 0 295.427 0.555 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001279520507 809985891 /nfs/dbraw/zinc/98/58/91/809985891.db2.gz XYXWISNCNMLVSZ-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC001280544806 810029679 /nfs/dbraw/zinc/02/96/79/810029679.db2.gz GBPLHUWBNFUTMF-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038263853 811092060 /nfs/dbraw/zinc/09/20/60/811092060.db2.gz AIUGSRJGRWLJAS-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282733 811092462 /nfs/dbraw/zinc/09/24/62/811092462.db2.gz SSDMFSLTDOJVKO-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267307202 811128677 /nfs/dbraw/zinc/12/86/77/811128677.db2.gz NSIXJKHNBIMZNC-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH+]1CCN(CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001267612506 811563785 /nfs/dbraw/zinc/56/37/85/811563785.db2.gz NGBNTZITBPHTNI-UHFFFAOYSA-N 2 0 296.459 0.590 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873147 812089768 /nfs/dbraw/zinc/08/97/68/812089768.db2.gz WEAPASRBNCMKFQ-WLYUNCDWSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268399490 812545580 /nfs/dbraw/zinc/54/55/80/812545580.db2.gz HRVRAXNQVPJJQL-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC[C@@H](C(=O)N(CC)CC[NH2+]CC#CCOC)[NH+](C)C ZINC001268476027 812631875 /nfs/dbraw/zinc/63/18/75/812631875.db2.gz CKCSYUJCZFALDS-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268541466 812782752 /nfs/dbraw/zinc/78/27/52/812782752.db2.gz FBEXQEGVDSCXOU-JLVOYYQZSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268692862 813013424 /nfs/dbraw/zinc/01/34/24/813013424.db2.gz LXZZKGIEPNDYMW-ZDUSSCGKSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268717357 813030934 /nfs/dbraw/zinc/03/09/34/813030934.db2.gz XBTZKHBUHYTONS-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269155681 813243692 /nfs/dbraw/zinc/24/36/92/813243692.db2.gz BAGPSPGHEVTLKR-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CC#CCOC)C1 ZINC001269288310 813307700 /nfs/dbraw/zinc/30/77/00/813307700.db2.gz UATGQGYEQMNNIB-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001269745182 813487693 /nfs/dbraw/zinc/48/76/93/813487693.db2.gz MNHVSJBLOKSHCQ-INIZCTEOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028778720 813490278 /nfs/dbraw/zinc/49/02/78/813490278.db2.gz JTPGDBUAUQVVJS-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001270436549 813763813 /nfs/dbraw/zinc/76/38/13/813763813.db2.gz ODZMEWVWPFWGJB-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001271459950 814454286 /nfs/dbraw/zinc/45/42/86/814454286.db2.gz XKBPWIMICWJXPU-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271548038 814473735 /nfs/dbraw/zinc/47/37/35/814473735.db2.gz AQNPSHFIGFMDKK-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001272461159 816447854 /nfs/dbraw/zinc/44/78/54/816447854.db2.gz LZNZPADTSSLYSJ-HUUCEWRRSA-N 2 0 295.427 0.197 20 30 CCEDRP C=CCCN1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030958511 816502103 /nfs/dbraw/zinc/50/21/03/816502103.db2.gz MBTKOEMLHYDFIF-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106881354 816974363 /nfs/dbraw/zinc/97/43/63/816974363.db2.gz CJOHYOZJTZGECV-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031923160 817468569 /nfs/dbraw/zinc/46/85/69/817468569.db2.gz UTLISNMYAFSDLX-HNNXBMFYSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106982285 817570238 /nfs/dbraw/zinc/57/02/38/817570238.db2.gz HPDYTRFUQZEMSU-HZSPNIEDSA-N 2 0 265.401 0.808 20 30 CCEDRP C#CCN1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032128831 817657302 /nfs/dbraw/zinc/65/73/02/817657302.db2.gz LGFHPTXPRVOOJD-CABCVRRESA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCN1CCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029396 818482776 /nfs/dbraw/zinc/48/27/76/818482776.db2.gz FOUWBOISKCLQGF-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001034148843 819098277 /nfs/dbraw/zinc/09/82/77/819098277.db2.gz PBYOTHVMTVJEQI-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702397051 819108863 /nfs/dbraw/zinc/10/88/63/819108863.db2.gz NATKTQLSYIFEIL-DZGCQCFKSA-N 2 0 278.400 0.632 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755047 819221982 /nfs/dbraw/zinc/22/19/82/819221982.db2.gz GAIXUAOTLZEQIV-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001036263899 819717967 /nfs/dbraw/zinc/71/79/67/819717967.db2.gz IEPSFAFDBBBPTJ-KBPBESRZSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080382476 820558455 /nfs/dbraw/zinc/55/84/55/820558455.db2.gz NKRWIHSMEKHNCV-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953517 821164081 /nfs/dbraw/zinc/16/40/81/821164081.db2.gz VSNAYFNSEPNFSD-MCIONIFRSA-N 2 0 281.400 0.066 20 30 CCEDRP CC#CCN1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084663090 821344497 /nfs/dbraw/zinc/34/44/97/821344497.db2.gz LSEYAPMXBDWWKI-BZUAXINKSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958011 821442693 /nfs/dbraw/zinc/44/26/93/821442693.db2.gz IKXVXTHVLIREJU-VNQPRFMTSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085074826 821480433 /nfs/dbraw/zinc/48/04/33/821480433.db2.gz DWRAQPAXYXBOQK-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100077267 822237418 /nfs/dbraw/zinc/23/74/18/822237418.db2.gz ZPHHNOOJRKHVNB-HUUCEWRRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083124 822254610 /nfs/dbraw/zinc/25/46/10/822254610.db2.gz NPCHEFHSPDLUQI-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086456788 822264260 /nfs/dbraw/zinc/26/42/60/822264260.db2.gz WHXWAHACLHATDR-KKUMJFAQSA-N 2 0 295.427 0.766 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086456789 822265303 /nfs/dbraw/zinc/26/53/03/822265303.db2.gz WHXWAHACLHATDR-RBSFLKMASA-N 2 0 295.427 0.766 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129339129 836388450 /nfs/dbraw/zinc/38/84/50/836388450.db2.gz FXWXJAHTWSYPNX-ZDUSSCGKSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169941565 836484762 /nfs/dbraw/zinc/48/47/62/836484762.db2.gz ZWQYAEYMJDAYTP-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cncc2C)C[C@H]1C ZINC001184810967 844291086 /nfs/dbraw/zinc/29/10/86/844291086.db2.gz SYOOASFOHVJLNJ-HIFRSBDPSA-N 2 0 288.395 0.899 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277057 838352411 /nfs/dbraw/zinc/35/24/11/838352411.db2.gz ANNFHPRSJIELML-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132367606 838372422 /nfs/dbraw/zinc/37/24/22/838372422.db2.gz DCORYDSJXFBMSJ-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426311 838393188 /nfs/dbraw/zinc/39/31/88/838393188.db2.gz VLXVGDFLRKMGFN-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133294349 838591195 /nfs/dbraw/zinc/59/11/95/838591195.db2.gz DXIWLCOIFULQSY-UHFFFAOYSA-N 2 0 292.358 0.855 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135119163 839167327 /nfs/dbraw/zinc/16/73/27/839167327.db2.gz YFGCKMYHXNCPHG-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537685 839625923 /nfs/dbraw/zinc/62/59/23/839625923.db2.gz MYUJVRNROFCOJJ-GJZGRUSLSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246310607 839782366 /nfs/dbraw/zinc/78/23/66/839782366.db2.gz HDDPCWRWWKWCLH-RDBSUJKOSA-N 2 0 283.416 0.943 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817913 839833273 /nfs/dbraw/zinc/83/32/73/839833273.db2.gz UBIJGWYTTNGXMI-ZIAGYGMSSA-N 2 0 281.400 0.210 20 30 CCEDRP N#Cc1cnc(Cl)nc1N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001160510731 839966296 /nfs/dbraw/zinc/96/62/96/839966296.db2.gz JDABHAHDFOAXJT-ZDUSSCGKSA-N 2 0 292.774 0.837 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001091032767 839995815 /nfs/dbraw/zinc/99/58/15/839995815.db2.gz GDHYEOBRBQQHJI-PFSRBDOWSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171159934 840003486 /nfs/dbraw/zinc/00/34/86/840003486.db2.gz AMGJIUCLBYVMJH-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091364603 840187822 /nfs/dbraw/zinc/18/78/22/840187822.db2.gz KFESHPYURVMYCL-MOKVOYLWSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091360463 840189974 /nfs/dbraw/zinc/18/99/74/840189974.db2.gz CKCDPCNVUHUILR-OTTFEQOBSA-N 2 0 251.374 0.609 20 30 CCEDRP C#CC1CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC1 ZINC001160913129 840261811 /nfs/dbraw/zinc/26/18/11/840261811.db2.gz SANSIBAYXJMWOJ-ZDUSSCGKSA-N 2 0 251.374 0.575 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878971 840321616 /nfs/dbraw/zinc/32/16/16/840321616.db2.gz CEBKDRKXSHFHOG-LSDHHAIUSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974448 840983305 /nfs/dbraw/zinc/98/33/05/840983305.db2.gz HCDBNLOELZMMCJ-WBVHZDCISA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092012003 840984845 /nfs/dbraw/zinc/98/48/45/840984845.db2.gz LJAFXEPMFZCLQF-UXLLHSPISA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824648 844605589 /nfs/dbraw/zinc/60/55/89/844605589.db2.gz DCSJSXKKRSQEEV-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)CC1 ZINC001273459196 841114700 /nfs/dbraw/zinc/11/47/00/841114700.db2.gz ZVHXJSNBXJQQDB-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3)CC[C@@H]21 ZINC001036786308 841217523 /nfs/dbraw/zinc/21/75/23/841217523.db2.gz SQTIWKXMHGGCIW-GJZGRUSLSA-N 2 0 286.379 0.829 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884476 842442044 /nfs/dbraw/zinc/44/20/44/842442044.db2.gz JSGLDKHMUNGJLC-UHFFFAOYSA-N 2 0 295.427 0.608 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176846128 842446386 /nfs/dbraw/zinc/44/63/86/842446386.db2.gz ZFYVEHXWZPCDFB-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001181009267 843372312 /nfs/dbraw/zinc/37/23/12/843372312.db2.gz UHBJPGQLHHYUAK-IIAWOOMASA-N 2 0 295.427 0.577 20 30 CCEDRP N#Cc1ccc2cc(CN3C[C@H](O)[C@@H](C[NH3+])C3)[nH]c2c1 ZINC001206542227 843924644 /nfs/dbraw/zinc/92/46/44/843924644.db2.gz VQLLTBFCBXFILI-WFASDCNBSA-N 2 0 270.336 0.791 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232185 844673003 /nfs/dbraw/zinc/67/30/03/844673003.db2.gz WTCCFXNNBPPCOT-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP COc1ccc(C#N)c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001189096402 845050824 /nfs/dbraw/zinc/05/08/24/845050824.db2.gz JAPAKZLVGTWCHI-UHFFFAOYSA-N 2 0 289.339 0.641 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191996733 845763912 /nfs/dbraw/zinc/76/39/12/845763912.db2.gz DEMRHQRWUGGSRT-CYBMUJFWSA-N 2 0 263.385 0.494 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192160998 845794461 /nfs/dbraw/zinc/79/44/61/845794461.db2.gz GAWPKEXFUZEIAP-AWEZNQCLSA-N 2 0 281.400 0.121 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487523 846092511 /nfs/dbraw/zinc/09/25/11/846092511.db2.gz ANSOFLQEWGKDPG-CQSZACIVSA-N 2 0 281.400 0.121 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193893067 846177287 /nfs/dbraw/zinc/17/72/87/846177287.db2.gz YJXGLCPEFFLNLU-RRFJBIMHSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194102141 846222868 /nfs/dbraw/zinc/22/28/68/846222868.db2.gz CJNQYGFYGCGQOF-JHJVBQTASA-N 2 0 269.389 0.064 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203319325 847262677 /nfs/dbraw/zinc/26/26/77/847262677.db2.gz ZUOHAMDPGFUQJL-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273881446 847725695 /nfs/dbraw/zinc/72/56/95/847725695.db2.gz NOUPOSFFUKRXQG-DZGCQCFKSA-N 2 0 281.400 0.162 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201239002 847745730 /nfs/dbraw/zinc/74/57/30/847745730.db2.gz GCQXHUQCKNPEHU-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201344611 847772728 /nfs/dbraw/zinc/77/27/28/847772728.db2.gz UOZKBWDDPSIPEE-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201688979 847807273 /nfs/dbraw/zinc/80/72/73/847807273.db2.gz WUMBCVGSGVOAOI-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCCO1 ZINC001201924908 847827292 /nfs/dbraw/zinc/82/72/92/847827292.db2.gz VMVMMINKEVSJMP-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001273912864 847827504 /nfs/dbraw/zinc/82/75/04/847827504.db2.gz ZSFSPJRAHXOCLU-HNNXBMFYSA-N 2 0 283.416 0.457 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202059940 847851809 /nfs/dbraw/zinc/85/18/09/847851809.db2.gz TVJZIHCQSHAGGE-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408850 848050578 /nfs/dbraw/zinc/05/05/78/848050578.db2.gz BIIUWEDEKBAACF-ZOBORPQBSA-N 2 0 263.385 0.559 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274919026 848593865 /nfs/dbraw/zinc/59/38/65/848593865.db2.gz IJRWRNZTAOGCQP-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114827233 849411107 /nfs/dbraw/zinc/41/11/07/849411107.db2.gz YERRJKHQEOYHJT-LJISPDSOSA-N 2 0 277.412 0.786 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039026415 850126323 /nfs/dbraw/zinc/12/63/23/850126323.db2.gz GCIQIYPSDCXNMW-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039470374 850195519 /nfs/dbraw/zinc/19/55/19/850195519.db2.gz XXLNXFPFUICODW-KFWWJZLASA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832570 850509382 /nfs/dbraw/zinc/50/93/82/850509382.db2.gz BTKWIECMHAGNIC-MRXNPFEDSA-N 2 0 275.396 0.640 20 30 CCEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001047446693 851766019 /nfs/dbraw/zinc/76/60/19/851766019.db2.gz OEAMYXIQMDOERA-GJZGRUSLSA-N 2 0 298.346 0.085 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049369474 852244595 /nfs/dbraw/zinc/24/45/95/852244595.db2.gz OXMQSTRJAKQSBK-KFWWJZLASA-N 2 0 275.396 0.779 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cnc[nH]1)C2 ZINC001054204724 852894653 /nfs/dbraw/zinc/89/46/53/852894653.db2.gz BTLWJTPKNJKEOR-INIZCTEOSA-N 2 0 286.379 0.900 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1cnc[nH]1)C2 ZINC001054204725 852895481 /nfs/dbraw/zinc/89/54/81/852895481.db2.gz BTLWJTPKNJKEOR-MRXNPFEDSA-N 2 0 286.379 0.900 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050726761 853420289 /nfs/dbraw/zinc/42/02/89/853420289.db2.gz BLBZNINSEOPINR-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796168 854295695 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C=CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873215 855234562 /nfs/dbraw/zinc/23/45/62/855234562.db2.gz YHGMUUKIZBVZCY-HSBZDZAISA-N 2 0 265.401 0.999 20 30 CCEDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100901556 855236716 /nfs/dbraw/zinc/23/67/16/855236716.db2.gz BZKALGDTRPYORG-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC001118335940 856266300 /nfs/dbraw/zinc/26/63/00/856266300.db2.gz YDTYFTNHHBMKNA-CLJHHIHDSA-N 2 0 278.356 0.372 20 30 CCEDRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001118810709 856450081 /nfs/dbraw/zinc/45/00/81/856450081.db2.gz XLUWGCXSMYFGFH-UKRRQHHQSA-N 2 0 261.369 0.329 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001323596498 912439179 /nfs/dbraw/zinc/43/91/79/912439179.db2.gz MWEPRCHUJALXTB-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001324991764 913134783 /nfs/dbraw/zinc/13/47/83/913134783.db2.gz FWANNWLSHOLTRR-AWEZNQCLSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266569694 891557196 /nfs/dbraw/zinc/55/71/96/891557196.db2.gz ILUCUOBLOHBGOX-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170285 892266310 /nfs/dbraw/zinc/26/63/10/892266310.db2.gz KVDAJUADTCTZKR-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001326001647 913675045 /nfs/dbraw/zinc/67/50/45/913675045.db2.gz NEMISZDCTPOMOQ-VXGBXAGGSA-N 2 0 252.362 0.656 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481302161 892552709 /nfs/dbraw/zinc/55/27/09/892552709.db2.gz IYLKKEHJJFUTOK-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481461987 892699261 /nfs/dbraw/zinc/69/92/61/892699261.db2.gz MULAMQZFRCVTCF-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 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0.398 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483052592 894852077 /nfs/dbraw/zinc/85/20/77/894852077.db2.gz ALFDSDXYZYQTRA-VOTSOKGWSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483172532 895061349 /nfs/dbraw/zinc/06/13/49/895061349.db2.gz QZLCCRGRGHXRRK-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@H]1C ZINC001507328589 895549197 /nfs/dbraw/zinc/54/91/97/895549197.db2.gz QKCHBVUYJIHXAQ-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001483924512 896118976 /nfs/dbraw/zinc/11/89/76/896118976.db2.gz JBZZSCTZQDPIPM-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484246266 896276340 /nfs/dbraw/zinc/27/63/40/896276340.db2.gz HTNKYSHEQNXUOL-HIFRSBDPSA-N 2 0 281.400 0.067 20 30 CCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485363310 896989148 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C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001327033605 914327144 /nfs/dbraw/zinc/32/71/44/914327144.db2.gz DIGKSYWUJRZLPR-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001327050051 914336320 /nfs/dbraw/zinc/33/63/20/914336320.db2.gz VHYBIVZZFFDWDM-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001327050048 914336868 /nfs/dbraw/zinc/33/68/68/914336868.db2.gz VHYBIVZZFFDWDM-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001327276948 914458527 /nfs/dbraw/zinc/45/85/27/914458527.db2.gz JXXUMJIIMVVCFT-AWEZNQCLSA-N 2 0 265.401 0.742 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001490729445 900706801 /nfs/dbraw/zinc/70/68/01/900706801.db2.gz TWIDPDVEOLFBBD-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001327564295 914621661 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C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001281878400 904359657 /nfs/dbraw/zinc/35/96/57/904359657.db2.gz UAZTXVRBTVFYEK-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001283764979 905004815 /nfs/dbraw/zinc/00/48/15/905004815.db2.gz OVEKWEAPRHUYQX-GFCCVEGCSA-N 2 0 269.389 0.114 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284459726 905305365 /nfs/dbraw/zinc/30/53/65/905305365.db2.gz JPCSJHXEIYTIJQ-OAHLLOKOSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001491772702 907559012 /nfs/dbraw/zinc/55/90/12/907559012.db2.gz XSUZNJXYDZOSBK-INIZCTEOSA-N 2 0 287.407 0.545 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491857149 907609336 /nfs/dbraw/zinc/60/93/36/907609336.db2.gz QJTSTGIQEGCJEK-HUUCEWRRSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491958369 907651995 /nfs/dbraw/zinc/65/19/95/907651995.db2.gz CJVCXNXUZKKFFW-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001492129831 907711874 /nfs/dbraw/zinc/71/18/74/907711874.db2.gz SOOUIDBRUYPGSG-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C)CC1 ZINC001337482433 908158491 /nfs/dbraw/zinc/15/84/91/908158491.db2.gz SVJFZJSTVFQKHU-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317124192 908996909 /nfs/dbraw/zinc/99/69/09/908996909.db2.gz CPDFLEJHOLASPE-BETUJISGSA-N 2 0 261.369 0.342 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317248021 909091791 /nfs/dbraw/zinc/09/17/91/909091791.db2.gz TYRFOXKNMCDXEJ-CYBMUJFWSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351872 909154120 /nfs/dbraw/zinc/15/41/20/909154120.db2.gz BNXHKEQBBFSCRN-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C=CC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317405935 909179069 /nfs/dbraw/zinc/17/90/69/909179069.db2.gz NHWJBETWFBIZRY-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318128748 909635595 /nfs/dbraw/zinc/63/55/95/909635595.db2.gz UXZBJMSLJYGMOF-ZDUSSCGKSA-N 2 0 253.390 0.807 20 30 CCEDRP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001319860559 910323170 /nfs/dbraw/zinc/32/31/70/910323170.db2.gz GUAPDRSVBIJHCL-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319998895 910405674 /nfs/dbraw/zinc/40/56/74/910405674.db2.gz HCUIAXRDJDPJOQ-CHWSQXEVSA-N 2 0 251.374 0.350 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001320073193 910446322 /nfs/dbraw/zinc/44/63/22/910446322.db2.gz UMKTUDLKWXYFEE-ZDUSSCGKSA-N 2 0 253.390 0.740 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cnc1C ZINC001321722838 911461057 /nfs/dbraw/zinc/46/10/57/911461057.db2.gz IRFXNLTWWDWRPZ-LLVKDONJSA-N 2 0 278.356 0.005 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC2CC2)CC1 ZINC001321756884 911474359 /nfs/dbraw/zinc/47/43/59/911474359.db2.gz SRDNWJACPBZWCS-CYBMUJFWSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001322298221 911751099 /nfs/dbraw/zinc/75/10/99/911751099.db2.gz JVYGHNMVUCJDPK-KBPBESRZSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001328904854 915510650 /nfs/dbraw/zinc/51/06/50/915510650.db2.gz OHVOKYUERCODNN-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001329398249 915879920 /nfs/dbraw/zinc/87/99/20/915879920.db2.gz SKGSHLZCKFAMOW-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001329514728 915976999 /nfs/dbraw/zinc/97/69/99/915976999.db2.gz GRALVUNDACTGCZ-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329530287 915990124 /nfs/dbraw/zinc/99/01/24/915990124.db2.gz GCDXQLWBZAJCNC-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330309599 916544161 /nfs/dbraw/zinc/54/41/61/916544161.db2.gz NVIQMIKCEUFACT-YIYPIFLZSA-N 2 0 263.385 0.254 20 30 CCEDRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001330593197 916726570 /nfs/dbraw/zinc/72/65/70/916726570.db2.gz ZLTVVULUKMASQD-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[N@H+](C)CCOCCNC(=O)C12CCC[NH+]1CCC2 ZINC001331130880 917109488 /nfs/dbraw/zinc/10/94/88/917109488.db2.gz CAVDEERSIGBHGP-UHFFFAOYSA-N 2 0 295.427 0.865 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCOC)CC1 ZINC001331644543 917472423 /nfs/dbraw/zinc/47/24/23/917472423.db2.gz NYDVREWHQURROP-CQSZACIVSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCOC)CC1 ZINC001331644542 917474077 /nfs/dbraw/zinc/47/40/77/917474077.db2.gz NYDVREWHQURROP-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)c2c(C[NH3+])cnn2C)CC1 ZINC001331692287 917515263 /nfs/dbraw/zinc/51/52/63/917515263.db2.gz MNLJZDBSTSHOIC-UHFFFAOYSA-N 2 0 277.372 0.259 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001331927434 917721763 /nfs/dbraw/zinc/72/17/63/917721763.db2.gz BHIZGTLLOYKAHE-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C[C@H](CCCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331967747 917766002 /nfs/dbraw/zinc/76/60/02/917766002.db2.gz BQJHHBNNEDMIHL-KLNSDEMFSA-N 2 0 278.400 0.759 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333289097 918778811 /nfs/dbraw/zinc/77/88/11/918778811.db2.gz BULAGGDUMCUCMD-QGZVFWFLSA-N 2 0 289.423 0.982 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001336877831 921076882 /nfs/dbraw/zinc/07/68/82/921076882.db2.gz UCEQIXQYRYVXJF-LBPRGKRZSA-N 2 0 266.389 0.239 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001336878384 921078871 /nfs/dbraw/zinc/07/88/71/921078871.db2.gz ZEJWWJLMQPCXEF-ZIAGYGMSSA-N 2 0 280.416 0.568 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC001340913449 922271606 /nfs/dbraw/zinc/27/16/06/922271606.db2.gz QODCEVUSGCVCCR-LSDHHAIUSA-N 2 0 287.363 0.171 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001341407255 922470224 /nfs/dbraw/zinc/47/02/24/922470224.db2.gz IXUIGDMYGGPNPF-UHFFFAOYSA-N 2 0 251.374 0.433 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001341550398 922549131 /nfs/dbraw/zinc/54/91/31/922549131.db2.gz YYPLQSQNKNOBIL-VXGBXAGGSA-N 2 0 252.362 0.656 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCC[NH2+]C1 ZINC001342176502 922848198 /nfs/dbraw/zinc/84/81/98/922848198.db2.gz ZXMGQDIZZVJTHT-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC1CC[NH2+]CC1 ZINC001343568174 923374939 /nfs/dbraw/zinc/37/49/39/923374939.db2.gz HCVCCFPBUDDWMX-NSHDSACASA-N 2 0 259.781 0.914 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N1CC[NH+](C)CC1 ZINC001349825802 925070758 /nfs/dbraw/zinc/07/07/58/925070758.db2.gz YWJVKAZYJODOMC-UONOGXRCSA-N 2 0 295.431 0.150 20 30 CCEDRP C#CCN(CC#CC)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353466149 925841377 /nfs/dbraw/zinc/84/13/77/925841377.db2.gz DXMASQACXLCBCZ-UHFFFAOYSA-N 2 0 276.384 0.078 20 30 CCEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 ZINC001354222766 926047726 /nfs/dbraw/zinc/04/77/26/926047726.db2.gz FTVMJWPHJSSPJL-LBPRGKRZSA-N 2 0 271.405 0.515 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875760 362856002 /nfs/dbraw/zinc/85/60/02/362856002.db2.gz ADITULWWBDUSHE-UHFFFAOYSA-N 2 0 294.399 0.416 20 30 CCEDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)cc1 ZINC000071148830 348904644 /nfs/dbraw/zinc/90/46/44/348904644.db2.gz BQAJDNVNRMWAGC-UHFFFAOYSA-N 2 0 258.369 0.895 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261992366 352569129 /nfs/dbraw/zinc/56/91/29/352569129.db2.gz MNIXDEGWIQIPET-GFCCVEGCSA-N 2 0 296.415 0.708 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCC[C@H]1O)[C@@H]1CCC[C@H]1O ZINC000511592175 358334327 /nfs/dbraw/zinc/33/43/27/358334327.db2.gz IQSPPCXKVPKATN-KLHDSHLOSA-N 2 0 280.412 0.680 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135871 359763091 /nfs/dbraw/zinc/76/30/91/359763091.db2.gz JDDSARFDPOKKBJ-QWHCGFSZSA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135870 359763321 /nfs/dbraw/zinc/76/33/21/359763321.db2.gz JDDSARFDPOKKBJ-OLZOCXBDSA-N 2 0 264.373 0.608 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437793 360305835 /nfs/dbraw/zinc/30/58/35/360305835.db2.gz FMYSXCZJDIPZAN-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@]1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCC[NH2+]C1 ZINC000594437904 360307341 /nfs/dbraw/zinc/30/73/41/360307341.db2.gz FYNWCAWIPKYBJU-OCCSQVGLSA-N 2 0 266.389 0.904 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594441078 360309966 /nfs/dbraw/zinc/30/99/66/360309966.db2.gz MJWGEAYXASWUJS-TZMCWYRMSA-N 2 0 278.400 0.998 20 30 CCEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000596653778 360936513 /nfs/dbraw/zinc/93/65/13/360936513.db2.gz LKCVTNCXFRIWFS-NXEZZACHSA-N 2 0 261.329 0.813 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C[NH3+])OC)C(C)C ZINC000290127467 388901467 /nfs/dbraw/zinc/90/14/67/388901467.db2.gz ZVNQFUMCDGLPBD-KBPBESRZSA-N 2 0 283.416 0.775 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000133408168 389235531 /nfs/dbraw/zinc/23/55/31/389235531.db2.gz YSGMRFVWVRPCQP-CYBMUJFWSA-N 2 0 266.389 0.632 20 30 CCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1ccc2c(c1)CCC2 ZINC000262752989 389294156 /nfs/dbraw/zinc/29/41/56/389294156.db2.gz CJEYEBAGNIBMOY-INIZCTEOSA-N 2 0 299.422 0.902 20 30 CCEDRP COc1ccc(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000262791979 389295046 /nfs/dbraw/zinc/29/50/46/389295046.db2.gz OJGDGTKQMFSNQZ-ZDUSSCGKSA-N 2 0 289.383 0.422 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000267472245 389371192 /nfs/dbraw/zinc/37/11/92/389371192.db2.gz YCXKVYZHTBDHFG-SWLSCSKDSA-N 2 0 294.399 0.876 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCC[NH3+])C(C)C ZINC000417058381 389792148 /nfs/dbraw/zinc/79/21/48/389792148.db2.gz FOCGMPFMAIMJJM-ZDUSSCGKSA-N 2 0 268.405 0.943 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430920674 389835114 /nfs/dbraw/zinc/83/51/14/389835114.db2.gz PYWXDTSLKSKHPF-MNOVXSKESA-N 2 0 282.388 0.446 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000491338043 390112095 /nfs/dbraw/zinc/11/20/95/390112095.db2.gz FUZTYEJFVVTFDM-ZIAGYGMSSA-N 2 0 278.400 0.335 20 30 CCEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563806165 390493256 /nfs/dbraw/zinc/49/32/56/390493256.db2.gz OOZBIHSFHHKUKL-OLZOCXBDSA-N 2 0 256.394 0.123 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000514933779 390471167 /nfs/dbraw/zinc/47/11/67/390471167.db2.gz YJAJFLDHMSBKOY-MRXNPFEDSA-N 2 0 294.443 0.799 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CCC[NH2+]1 ZINC000662761580 414772052 /nfs/dbraw/zinc/77/20/52/414772052.db2.gz OIKPCAITVIOQOJ-OUCADQQQSA-N 2 0 251.374 0.880 20 30 CCEDRP NC(=[NH2+])NCCN1CCc2c(Cl)cccc2C1 ZINC000188136391 260073394 /nfs/dbraw/zinc/07/33/94/260073394.db2.gz GTPLGOOJBRVDFL-UHFFFAOYSA-N 2 0 252.749 0.972 20 30 CCEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000104175064 261289299 /nfs/dbraw/zinc/28/92/99/261289299.db2.gz MWHXIDBKZDVGHW-UHFFFAOYSA-N 2 0 255.410 0.327 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](O)C2)C[C@H]1O ZINC000341905928 263364826 /nfs/dbraw/zinc/36/48/26/263364826.db2.gz SVARYCZAPJUCRI-QKPAOTATSA-N 2 0 280.412 0.395 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261943723 328143404 /nfs/dbraw/zinc/14/34/04/328143404.db2.gz FDIMQQAGLQPAQC-RISCZKNCSA-N 2 0 290.415 0.568 20 30 CCEDRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424162344 330307266 /nfs/dbraw/zinc/30/72/66/330307266.db2.gz WRBBOSSLODHUQD-LBPRGKRZSA-N 2 0 254.378 0.854 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187949192 329361773 /nfs/dbraw/zinc/36/17/73/329361773.db2.gz DPORZYBMKWOJTP-QWHCGFSZSA-N 2 0 267.373 0.130 20 30 CCEDRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000584410885 329460590 /nfs/dbraw/zinc/46/05/90/329460590.db2.gz YFMSTRGOLFSLSV-UONOGXRCSA-N 2 0 296.415 0.217 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262489289 330017176 /nfs/dbraw/zinc/01/71/76/330017176.db2.gz UIKNCOGIMNJJSR-KBPBESRZSA-N 2 0 282.432 1.000 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CCC2)CCO1 ZINC000262492326 330017459 /nfs/dbraw/zinc/01/74/59/330017459.db2.gz VHZIBACLDPHHAQ-LLVKDONJSA-N 2 0 254.378 0.506 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCC1 ZINC000262548373 330020885 /nfs/dbraw/zinc/02/08/85/330020885.db2.gz WMOUGTFPXVVNHI-NSHDSACASA-N 2 0 254.378 0.290 20 30 CCEDRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424070208 330219957 /nfs/dbraw/zinc/21/99/57/330219957.db2.gz ABGGGNUCMIQQMF-RYUDHWBXSA-N 2 0 254.378 0.839 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424146422 330292911 /nfs/dbraw/zinc/29/29/11/330292911.db2.gz PTNBCSMGMQJLII-KBPBESRZSA-N 2 0 278.400 0.952 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+](C)C1CC1 ZINC000424160827 330306359 /nfs/dbraw/zinc/30/63/59/330306359.db2.gz VBLDVEZUAHKOIZ-ZYHUDNBSSA-N 2 0 252.362 0.606 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424175486 330315649 /nfs/dbraw/zinc/31/56/49/330315649.db2.gz QOVVEJPADPAMJG-LBPRGKRZSA-N 2 0 252.362 0.560 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C[NH3+])C1 ZINC000424177081 330317399 /nfs/dbraw/zinc/31/73/99/330317399.db2.gz PJQHQQVHRXZEFS-WOPDTQHZSA-N 2 0 252.362 0.593 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000424177845 330317725 /nfs/dbraw/zinc/31/77/25/330317725.db2.gz VCLJHNIYNGVZFA-JHJVBQTASA-N 2 0 264.373 0.560 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433128983 330617761 /nfs/dbraw/zinc/61/77/61/330617761.db2.gz YADYBEVUMUBYJH-ZDUSSCGKSA-N 2 0 253.390 0.984 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000490595018 332094348 /nfs/dbraw/zinc/09/43/48/332094348.db2.gz YKCPUAKTNFGIDY-AWEZNQCLSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000490761057 332113430 /nfs/dbraw/zinc/11/34/30/332113430.db2.gz RGEVQHDNBVTWDZ-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000490922427 332129388 /nfs/dbraw/zinc/12/93/88/332129388.db2.gz CYLWTLMSMPXSHJ-UHFFFAOYSA-N 2 0 265.401 0.742 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)C[N@@H+](CC)C1CC1 ZINC000491653241 332266089 /nfs/dbraw/zinc/26/60/89/332266089.db2.gz CIVOWXBLLWRYSX-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000491694991 332291008 /nfs/dbraw/zinc/29/10/08/332291008.db2.gz WRTCYOSBVHPJKC-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000491703269 332297105 /nfs/dbraw/zinc/29/71/05/332297105.db2.gz NKFGHIDPDBQFCW-LSDHHAIUSA-N 2 0 293.411 0.093 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000491755226 332329789 /nfs/dbraw/zinc/32/97/89/332329789.db2.gz ZAUOIGQGQAZDRZ-UHFFFAOYSA-N 2 0 293.411 0.361 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000491763821 332332674 /nfs/dbraw/zinc/33/26/74/332332674.db2.gz ACZXNAVDMFQVBK-ZDUSSCGKSA-N 2 0 268.405 0.614 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000491785127 332348069 /nfs/dbraw/zinc/34/80/69/332348069.db2.gz SBCXUMFCHWAMLF-UHFFFAOYSA-N 2 0 264.373 0.160 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000491786601 332349323 /nfs/dbraw/zinc/34/93/23/332349323.db2.gz UNJBRFLPUOXMTQ-UHFFFAOYSA-N 2 0 288.395 0.979 20 30 CCEDRP C=CCCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000665940863 545110265 /nfs/dbraw/zinc/11/02/65/545110265.db2.gz OGLLJGMGZKEWEX-UHFFFAOYSA-N 2 0 256.394 0.745 20 30 CCEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000305820083 649880689 /nfs/dbraw/zinc/88/06/89/649880689.db2.gz OIDODTAISYNVIV-GFCCVEGCSA-N 2 0 267.421 0.279 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000765625311 581530381 /nfs/dbraw/zinc/53/03/81/581530381.db2.gz WFNAZYPFSLUTTO-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000773808433 581942703 /nfs/dbraw/zinc/94/27/03/581942703.db2.gz QMXIKJXUNIYSCM-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CCOCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000851860545 612984333 /nfs/dbraw/zinc/98/43/33/612984333.db2.gz KOYNAISTKJHVQR-SOUVJXGZSA-N 2 0 266.385 0.820 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000965064570 612954160 /nfs/dbraw/zinc/95/41/60/612954160.db2.gz QQZNGIGTROWDGG-DPGVGJJJSA-N 2 0 289.423 0.978 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000876919190 613389599 /nfs/dbraw/zinc/38/95/99/613389599.db2.gz SMOBMBJNFIPRRW-LSJOCFKGSA-N 2 0 259.781 0.900 20 30 CCEDRP CC(C)NC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000104159720 614300377 /nfs/dbraw/zinc/30/03/77/614300377.db2.gz OMXOSHXKCPVGJW-RYUDHWBXSA-N 2 0 256.394 0.798 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965912367 612954399 /nfs/dbraw/zinc/95/43/99/612954399.db2.gz NGJAEBRYNOEJDB-BHTBLZRRSA-N 2 0 275.396 0.588 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000968738529 612963725 /nfs/dbraw/zinc/96/37/25/612963725.db2.gz ZDSNQNYXUMAWDE-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939550874 612970605 /nfs/dbraw/zinc/97/06/05/612970605.db2.gz PTNFDSPYQRAWJA-TZMCWYRMSA-N 2 0 286.379 0.831 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000895057683 613074631 /nfs/dbraw/zinc/07/46/31/613074631.db2.gz WOMYTRVTIZBTFU-GOEBONIOSA-N 2 0 292.427 0.535 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000908435086 613078352 /nfs/dbraw/zinc/07/83/52/613078352.db2.gz BPGMBFAOPXFIFX-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972334770 613090129 /nfs/dbraw/zinc/09/01/29/613090129.db2.gz JUSSEKZGIALAKM-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCc3nccn32)C1 ZINC000969836657 613117477 /nfs/dbraw/zinc/11/74/77/613117477.db2.gz NSZXHVLBROBEDM-TZMCWYRMSA-N 2 0 286.379 0.830 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000913880796 613133942 /nfs/dbraw/zinc/13/39/42/613133942.db2.gz AQRAWDRNUSFZIV-UHFFFAOYSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000918894276 613135391 /nfs/dbraw/zinc/13/53/91/613135391.db2.gz VGGDVZDAFGWYOF-AWEZNQCLSA-N 2 0 290.411 0.620 20 30 CCEDRP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000968797027 613145842 /nfs/dbraw/zinc/14/58/42/613145842.db2.gz RBTZVWASLWJQPB-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962562500 613280237 /nfs/dbraw/zinc/28/02/37/613280237.db2.gz ZSPLIBLZQWXHQC-KBXIAJHMSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000849000297 613346449 /nfs/dbraw/zinc/34/64/49/613346449.db2.gz QOPJKOLCSOSFQE-GFCCVEGCSA-N 2 0 281.404 0.264 20 30 CCEDRP C=C(C)COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000126163609 613351778 /nfs/dbraw/zinc/35/17/78/613351778.db2.gz DJGVKGPJQFGSAD-ZDUSSCGKSA-N 2 0 268.405 0.968 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911944614 613363647 /nfs/dbraw/zinc/36/36/47/613363647.db2.gz AXOJMVJYMUDKPB-UHFFFAOYSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000907601969 613363865 /nfs/dbraw/zinc/36/38/65/613363865.db2.gz AJCSTJHBJITKRM-AWEZNQCLSA-N 2 0 297.443 0.798 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745210 613364278 /nfs/dbraw/zinc/36/42/78/613364278.db2.gz RQQPHIZAUUJFMC-CABCVRRESA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000910927524 613364347 /nfs/dbraw/zinc/36/43/47/613364347.db2.gz ALAQOAAELHPEAI-ZIAGYGMSSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000900781313 613365055 /nfs/dbraw/zinc/36/50/55/613365055.db2.gz BDPOFEQILMFAKO-ZDUSSCGKSA-N 2 0 283.416 0.579 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000912347333 613366448 /nfs/dbraw/zinc/36/64/48/613366448.db2.gz QGCUVLDNZBXZJC-UHFFFAOYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085266 613366871 /nfs/dbraw/zinc/36/68/71/613366871.db2.gz HGFJOSDIQMREAC-STQMWFEESA-N 2 0 283.441 0.800 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000876827277 613387702 /nfs/dbraw/zinc/38/77/02/613387702.db2.gz MYJNSSRNLRVEOJ-OUAUKWLOSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CC[NH+](CC)CC1 ZINC000876780955 613389809 /nfs/dbraw/zinc/38/98/09/613389809.db2.gz KYNYOEXMMGRQLL-LBPRGKRZSA-N 2 0 288.823 0.210 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000876515723 613390293 /nfs/dbraw/zinc/39/02/93/613390293.db2.gz FCLQRUGYQZNKCQ-MXWKQRLJSA-N 2 0 259.781 0.961 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000876847256 613390533 /nfs/dbraw/zinc/39/05/33/613390533.db2.gz AZACQMQRKGBPGE-GRLWKWRFSA-N 2 0 259.781 0.959 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169380 613577271 /nfs/dbraw/zinc/57/72/71/613577271.db2.gz OQVSRZJLEWLVGE-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346310 613585624 /nfs/dbraw/zinc/58/56/24/613585624.db2.gz QYELELZKMCSLOM-ZIAGYGMSSA-N 2 0 283.416 0.633 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944291 613598090 /nfs/dbraw/zinc/59/80/90/613598090.db2.gz MEZLAYSBXJANAH-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)COC ZINC000923387872 613651218 /nfs/dbraw/zinc/65/12/18/613651218.db2.gz ZVQLOFPDXUKYOO-STQMWFEESA-N 2 0 254.374 0.888 20 30 CCEDRP CC(=NNC(=S)NCCC[NH+](C)C)c1c[nH]c(N)[nH+]1 ZINC000901190052 613653374 /nfs/dbraw/zinc/65/33/74/613653374.db2.gz WOWKHUNTYYBOBU-UHFFFAOYSA-N 2 0 283.405 0.132 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939543418 613874285 /nfs/dbraw/zinc/87/42/85/613874285.db2.gz CRIVORYDKCLYEG-STQMWFEESA-N 2 0 263.385 0.705 20 30 CCEDRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852901364 613936189 /nfs/dbraw/zinc/93/61/89/613936189.db2.gz FHLCCHRCBBVAIO-AWEZNQCLSA-N 2 0 277.412 0.978 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000872300720 614549870 /nfs/dbraw/zinc/54/98/70/614549870.db2.gz LCTWIPGOOMUNLX-LBPRGKRZSA-N 2 0 266.389 0.998 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852915155 614744688 /nfs/dbraw/zinc/74/46/88/614744688.db2.gz RRJRUOMCPNHNRN-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834483980 615112058 /nfs/dbraw/zinc/11/20/58/615112058.db2.gz BZLDORMLOGINRD-IJLUTSLNSA-N 2 0 250.346 0.089 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]C ZINC000864236775 615144267 /nfs/dbraw/zinc/14/42/67/615144267.db2.gz VXRIZRKVQOMNKQ-VHSXEESVSA-N 2 0 296.337 0.559 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC([NH3+])C1 ZINC000884298532 615799457 /nfs/dbraw/zinc/79/94/57/615799457.db2.gz VJEYTFBVYFHGCK-CZKGIMFJSA-N 2 0 262.357 0.074 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000913521728 615857566 /nfs/dbraw/zinc/85/75/66/615857566.db2.gz KQTJURFDRGCNSU-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP CON=CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870667320 617106223 /nfs/dbraw/zinc/10/62/23/617106223.db2.gz VQQJMVMFYJQPKN-UHFFFAOYSA-N 2 0 277.328 0.404 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044900 625324914 /nfs/dbraw/zinc/32/49/14/625324914.db2.gz UPCBNYGPLCWIAU-BTFPBAQTSA-N 2 0 275.396 0.254 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026043660 625326151 /nfs/dbraw/zinc/32/61/51/625326151.db2.gz ADKDYSBMJOYULQ-XPABHHOTSA-N 2 0 277.412 0.807 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023380458 623019049 /nfs/dbraw/zinc/01/90/49/623019049.db2.gz ZLQLYILWWUGBKL-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024801294 623447609 /nfs/dbraw/zinc/44/76/09/623447609.db2.gz MFNCPALKQMANPP-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781600 623881842 /nfs/dbraw/zinc/88/18/42/623881842.db2.gz KWNWATZKSAMYNO-SUJAAXHWSA-N 2 0 287.407 0.540 20 30 CCEDRP CCNC(NC[C@H](CC[NH+](C)C)OCC)=[NH+]CC ZINC000304842358 624497386 /nfs/dbraw/zinc/49/73/86/624497386.db2.gz REFGWOXWUJNHAY-LBPRGKRZSA-N 2 0 258.410 0.918 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021043495 624650140 /nfs/dbraw/zinc/65/01/40/624650140.db2.gz AKIGWUKIJXZKHT-AVGNSLFASA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001021088733 624657091 /nfs/dbraw/zinc/65/70/91/624657091.db2.gz YGECCJVWRIKOIN-XUXIUFHCSA-N 2 0 263.385 0.729 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261872723 624836064 /nfs/dbraw/zinc/83/60/64/624836064.db2.gz PGWGYOOYFLAYSZ-QWHCGFSZSA-N 2 0 268.405 0.944 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022350726 624933138 /nfs/dbraw/zinc/93/31/38/624933138.db2.gz NTHDQBDTUCKSGI-ZNMIVQPWSA-N 2 0 277.412 0.977 20 30 CCEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903929727 634689154 /nfs/dbraw/zinc/68/91/54/634689154.db2.gz KFZGTTNYGKIETI-FRRDWIJNSA-N 2 0 274.372 0.984 20 30 CCEDRP CC[NH+]=C(NCCO)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261743874 631566403 /nfs/dbraw/zinc/56/64/03/631566403.db2.gz KYRSHWXIZLXJAE-CMPLNLGQSA-N 2 0 254.378 0.017 20 30 CCEDRP CC#CCN1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352469 650074910 /nfs/dbraw/zinc/07/49/10/650074910.db2.gz ZBGQXCVXTDZOFM-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797163 633355598 /nfs/dbraw/zinc/35/55/98/633355598.db2.gz WILHGZOBZUZNFU-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009519321 650147422 /nfs/dbraw/zinc/14/74/22/650147422.db2.gz UNEVCDZPICMTOC-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCO1 ZINC000072720061 638764603 /nfs/dbraw/zinc/76/46/03/638764603.db2.gz QOCSEMRCDNIRDG-JSGCOSHPSA-N 2 0 280.416 0.815 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CC1(C)C ZINC000996640754 638825940 /nfs/dbraw/zinc/82/59/40/638825940.db2.gz BRODTBHTFBNJPY-ZIAGYGMSSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000996686442 638828963 /nfs/dbraw/zinc/82/89/63/638828963.db2.gz UAJYMKPJXCCYTN-ZFWWWQNUSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000997308920 638862631 /nfs/dbraw/zinc/86/26/31/638862631.db2.gz IVFVTGYKXKDIJN-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997507213 638873930 /nfs/dbraw/zinc/87/39/30/638873930.db2.gz BWYSBNOEFMGGJI-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999509003 638983729 /nfs/dbraw/zinc/98/37/29/638983729.db2.gz IMEJQMQPJHZYMT-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000571451 639122768 /nfs/dbraw/zinc/12/27/68/639122768.db2.gz JOBYXTFALQEHPR-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685763 639151846 /nfs/dbraw/zinc/15/18/46/639151846.db2.gz AHKSDDLTZSZBNM-MRXNPFEDSA-N 2 0 287.407 0.710 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001833249 639343228 /nfs/dbraw/zinc/34/32/28/639343228.db2.gz JYABQUOIFMCBMF-UKRRQHHQSA-N 2 0 277.412 0.646 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015998881 650672464 /nfs/dbraw/zinc/67/24/64/650672464.db2.gz RFGLFAXFQXJTJO-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000834485478 642577558 /nfs/dbraw/zinc/57/75/58/642577558.db2.gz XIXVTHGWRYLMLB-GJZGRUSLSA-N 2 0 284.363 0.216 20 30 CCEDRP C[C@]([NH3+])(C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000843461277 643064959 /nfs/dbraw/zinc/06/49/59/643064959.db2.gz TZGJTYRXMYCVLG-VHRBIJSZSA-N 2 0 258.325 0.088 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000848427731 643635993 /nfs/dbraw/zinc/63/59/93/643635993.db2.gz QFLXIRMWRJLEJO-VHSXEESVSA-N 2 0 274.315 0.511 20 30 CCEDRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000848460663 643643383 /nfs/dbraw/zinc/64/33/83/643643383.db2.gz MPZMOUFOOYNLKH-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]([NH3+])C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852795837 644001296 /nfs/dbraw/zinc/00/12/96/644001296.db2.gz JMHRBKPEBNUKMI-GFCCVEGCSA-N 2 0 263.385 0.575 20 30 CCEDRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@H]21 ZINC000852874812 644036497 /nfs/dbraw/zinc/03/64/97/644036497.db2.gz CGZIQVNPOSJBFB-RBSFLKMASA-N 2 0 275.396 0.575 20 30 CCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@@]1(C)C[NH3+] ZINC000852890829 644045113 /nfs/dbraw/zinc/04/51/13/644045113.db2.gz MMOSZMATYUOLMG-IUODEOHRSA-N 2 0 263.385 0.433 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001019000779 650928666 /nfs/dbraw/zinc/92/86/66/650928666.db2.gz OYDDKVAURIMWHU-STQMWFEESA-N 2 0 251.374 0.396 20 30 CCEDRP C[C@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876806202 646671690 /nfs/dbraw/zinc/67/16/90/646671690.db2.gz KZBMSYXHEAJDAP-NOZJJQNGSA-N 2 0 258.325 0.208 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243868 646765580 /nfs/dbraw/zinc/76/55/80/646765580.db2.gz QTGWBWJLIOLMGF-UXIGCNINSA-N 2 0 284.363 0.599 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC1(C[NH3+])CCCC1)C2 ZINC000884029910 647618616 /nfs/dbraw/zinc/61/86/16/647618616.db2.gz AGTLQNMICFZRKT-LXVYMNJGSA-N 2 0 276.384 0.513 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160776 648203681 /nfs/dbraw/zinc/20/36/81/648203681.db2.gz CSSAKIFFTPGITM-KBPBESRZSA-N 2 0 299.463 0.198 20 30 CCEDRP CCNC(NCCCC[NH+]1CCC(C(N)=O)CC1)=[NH+]CC ZINC000303383174 649817892 /nfs/dbraw/zinc/81/78/92/649817892.db2.gz TVKWRHOBOUTZRV-UHFFFAOYSA-N 2 0 297.447 0.539 20 30 CCEDRP CCOCCCNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000303693934 649823922 /nfs/dbraw/zinc/82/39/22/649823922.db2.gz CMXVHHXVEZWYJG-UHFFFAOYSA-N 2 0 258.410 0.905 20 30 CCEDRP CCCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303779627 649824904 /nfs/dbraw/zinc/82/49/04/649824904.db2.gz KSEUXABOCFEYIB-LBPRGKRZSA-N 2 0 256.394 0.658 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C ZINC000303791795 649825452 /nfs/dbraw/zinc/82/54/52/649825452.db2.gz XVYZKEJPBKFJJG-NWDGAFQWSA-N 2 0 258.410 0.902 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303791774 649825523 /nfs/dbraw/zinc/82/55/23/649825523.db2.gz XVPGYXAMLPUORR-YNEHKIRRSA-N 2 0 286.420 0.425 20 30 CCEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)C[NH+]1CCN(C)CC1 ZINC000303871382 649826030 /nfs/dbraw/zinc/82/60/30/649826030.db2.gz FVJZVFUPQOSHSG-CYBMUJFWSA-N 2 0 269.437 0.349 20 30 CCEDRP CCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000303880627 649826077 /nfs/dbraw/zinc/82/60/77/649826077.db2.gz KIXUJMSFIQSXPU-CYBMUJFWSA-N 2 0 269.437 0.574 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000303879504 649826087 /nfs/dbraw/zinc/82/60/87/649826087.db2.gz GOZXALKIMXDEIZ-GFCCVEGCSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303898159 649826662 /nfs/dbraw/zinc/82/66/62/649826662.db2.gz VJVPAQHXCKKNBV-KBPBESRZSA-N 2 0 292.431 0.908 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000303968530 649827278 /nfs/dbraw/zinc/82/72/78/649827278.db2.gz ARXWOXSASNNXDH-LBPRGKRZSA-N 2 0 283.420 0.230 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304729125 649837672 /nfs/dbraw/zinc/83/76/72/649837672.db2.gz QOKODBCYUGFOID-LBPRGKRZSA-N 2 0 269.437 0.715 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCC(C)C ZINC000304822820 649839598 /nfs/dbraw/zinc/83/95/98/649839598.db2.gz DCNBWHSPPINHNA-LBPRGKRZSA-N 2 0 258.410 0.904 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305048271 649840851 /nfs/dbraw/zinc/84/08/51/649840851.db2.gz ZCNYNMBCNLVOIM-CHWSQXEVSA-N 2 0 270.421 0.904 20 30 CCEDRP C=CCC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001266313782 790489336 /nfs/dbraw/zinc/48/93/36/790489336.db2.gz OHSWYLOLNNZHDK-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266432092 790692163 /nfs/dbraw/zinc/69/21/63/790692163.db2.gz QYZQLPKTSHQQNJ-ZDUSSCGKSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266545239 790906450 /nfs/dbraw/zinc/90/64/50/790906450.db2.gz NYKUZANEXMLKRQ-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001277476141 805703424 /nfs/dbraw/zinc/70/34/24/805703424.db2.gz ODVLOKHMZLMQMO-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267033262 791466167 /nfs/dbraw/zinc/46/61/67/791466167.db2.gz SFSVEURDVWDFAR-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267069321 791497391 /nfs/dbraw/zinc/49/73/91/791497391.db2.gz UJDJJLARMDFYSC-OAHLLOKOSA-N 2 0 293.411 0.170 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001267154297 791597724 /nfs/dbraw/zinc/59/77/24/791597724.db2.gz AQNGCUAMFIEHRM-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267201158 791664997 /nfs/dbraw/zinc/66/49/97/791664997.db2.gz WUOFFLBOPYRFGK-AWEZNQCLSA-N 2 0 283.416 0.270 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267255188 793252867 /nfs/dbraw/zinc/25/28/67/793252867.db2.gz BSUVIOIZBBLQPG-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP N#Cc1ccnc(N2CC[NH+](CCCC[NH3+])CC2)c1 ZINC001235868142 806510187 /nfs/dbraw/zinc/51/01/87/806510187.db2.gz UYXJKFSUMKXBFG-UHFFFAOYSA-N 2 0 259.357 0.814 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001277979826 806546024 /nfs/dbraw/zinc/54/60/24/806546024.db2.gz RGHWGXYPZQSTEO-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001277989531 806598158 /nfs/dbraw/zinc/59/81/58/806598158.db2.gz ZHHQHLIMMAJXFT-KGLIPLIRSA-N 2 0 283.416 0.413 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001121929241 799097894 /nfs/dbraw/zinc/09/78/94/799097894.db2.gz ZVWXRPZVGZLNRW-OAHLLOKOSA-N 2 0 296.459 0.814 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(C)(C#N)C1 ZINC001157694771 801457974 /nfs/dbraw/zinc/45/79/74/801457974.db2.gz YYBXNGIOLVPOKK-LBPRGKRZSA-N 2 0 266.389 0.854 20 30 CCEDRP C=CCN1CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC1 ZINC001160431751 801940514 /nfs/dbraw/zinc/94/05/14/801940514.db2.gz DFTLWNMXFPFABQ-ZDUSSCGKSA-N 2 0 268.405 0.034 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C#N)C1 ZINC001160640743 801985549 /nfs/dbraw/zinc/98/55/49/801985549.db2.gz NTVWYQAQYTUZPV-STQMWFEESA-N 2 0 266.389 0.808 20 30 CCEDRP N#C[C@H]1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160642998 801987665 /nfs/dbraw/zinc/98/76/65/801987665.db2.gz URQGLTSZVPEQMS-NEPJUHHUSA-N 2 0 252.362 0.595 20 30 CCEDRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)CC[NH2+]1 ZINC001161016066 802061946 /nfs/dbraw/zinc/06/19/46/802061946.db2.gz QYWBRBYWFYWVQA-DOMZBBRYSA-N 2 0 286.379 0.638 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)CC[NH2+]1 ZINC001161015180 802062317 /nfs/dbraw/zinc/06/23/17/802062317.db2.gz YVCGKIPPUCUHAV-RISCZKNCSA-N 2 0 272.352 0.248 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N(CCC[NH3+])CC(=O)OCC)C1 ZINC001161158026 802103662 /nfs/dbraw/zinc/10/36/62/802103662.db2.gz NSWDRAPPCJXQGL-AWEZNQCLSA-N 2 0 283.372 0.035 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795398 802225169 /nfs/dbraw/zinc/22/51/69/802225169.db2.gz FZFJSAYGCKXMQA-UHFFFAOYSA-N 2 0 263.385 0.734 20 30 CCEDRP N#Cc1c2c(cnc1-c1cnn(C3C[NH2+]C3)c1)C[NH2+]CCC2 ZINC001241589601 806972548 /nfs/dbraw/zinc/97/25/48/806972548.db2.gz NGUWMNNZKPIUOZ-UHFFFAOYSA-N 2 0 294.362 0.997 20 30 CCEDRP C[C@@H](CN1CC[NH2+]CC1)Nc1cc[nH+]c(CC#N)c1 ZINC001162098079 802275732 /nfs/dbraw/zinc/27/57/32/802275732.db2.gz DCRYDUQVSGLLFX-LBPRGKRZSA-N 2 0 259.357 0.275 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536742 802758383 /nfs/dbraw/zinc/75/83/83/802758383.db2.gz YOIVHNOFWXUCGX-CQSZACIVSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537075 812828076 /nfs/dbraw/zinc/82/80/76/812828076.db2.gz GTYZYEWKZCSWJU-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001276468013 803085785 /nfs/dbraw/zinc/08/57/85/803085785.db2.gz FGZUYWPIDIDBMA-LBPRGKRZSA-N 2 0 253.390 0.949 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674061 803656673 /nfs/dbraw/zinc/65/66/73/803656673.db2.gz MNKIKPDPNQAFFJ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025592 803665198 /nfs/dbraw/zinc/66/51/98/803665198.db2.gz MNIOFSZLBACQKK-RBSFLKMASA-N 2 0 293.411 0.024 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215540017 803818882 /nfs/dbraw/zinc/81/88/82/803818882.db2.gz GMSDYVYRBVYPNN-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216511028 803840901 /nfs/dbraw/zinc/84/09/01/803840901.db2.gz IXUWFSBANLFJKC-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#Cc1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)ccn1 ZINC001218522978 803983942 /nfs/dbraw/zinc/98/39/42/803983942.db2.gz BQAUQKOGPVKQLN-AWEZNQCLSA-N 2 0 274.368 0.483 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1c[nH]nc1C#N ZINC001218656635 804065929 /nfs/dbraw/zinc/06/59/29/804065929.db2.gz YSLRCEGUDJANFD-VIFPVBQESA-N 2 0 264.333 0.279 20 30 CCEDRP N#CCc1cccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218988638 804176809 /nfs/dbraw/zinc/17/68/09/804176809.db2.gz YSPRUFPBYFKZLD-CYBMUJFWSA-N 2 0 270.336 0.500 20 30 CCEDRP N#C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001219558127 804347481 /nfs/dbraw/zinc/34/74/81/804347481.db2.gz KKMPYKJNOFTNSE-STQMWFEESA-N 2 0 270.336 0.176 20 30 CCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582792 804630329 /nfs/dbraw/zinc/63/03/29/804630329.db2.gz DVHFLGZDNDJSFD-KFWWJZLASA-N 2 0 297.443 0.844 20 30 CCEDRP C=C1CC=C(F)C=C1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220797952 804670341 /nfs/dbraw/zinc/67/03/41/804670341.db2.gz ZJAGTJMCZLCZJG-IAQYHMDHSA-N 2 0 277.343 0.999 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972636 804712463 /nfs/dbraw/zinc/71/24/63/804712463.db2.gz JAOXZOSPHYWODR-AWEZNQCLSA-N 2 0 263.385 0.847 20 30 CCEDRP C#CC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCCCC1 ZINC001221275316 804762253 /nfs/dbraw/zinc/76/22/53/804762253.db2.gz AOUYGDJZCNOVIH-GFCCVEGCSA-N 2 0 261.369 0.248 20 30 CCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397803 804804632 /nfs/dbraw/zinc/80/46/32/804804632.db2.gz NLIZOLLSARNIQL-IJEWVQPXSA-N 2 0 271.364 0.721 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346741 805029595 /nfs/dbraw/zinc/02/95/95/805029595.db2.gz QLCILHOHZBRHOF-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224904150 805091561 /nfs/dbraw/zinc/09/15/61/805091561.db2.gz JHVSXKIONSCACD-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225167870 805112458 /nfs/dbraw/zinc/11/24/58/805112458.db2.gz DNRFWFFWMULHLD-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246305784 807217569 /nfs/dbraw/zinc/21/75/69/807217569.db2.gz JIUJKFRMJRHUHR-YJNKXOJESA-N 2 0 295.427 0.801 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001251708818 807697020 /nfs/dbraw/zinc/69/70/20/807697020.db2.gz XXAPGDUVRKHXJL-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001251847875 807718676 /nfs/dbraw/zinc/71/86/76/807718676.db2.gz ONQQUFLOWWXTAQ-CQSZACIVSA-N 2 0 254.374 0.271 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001251855054 807723236 /nfs/dbraw/zinc/72/32/36/807723236.db2.gz RAZDCBDGCOVFIX-HNNXBMFYSA-N 2 0 280.412 0.805 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001251855344 807723656 /nfs/dbraw/zinc/72/36/56/807723656.db2.gz WIPIMWZIHYYLFE-ZDUSSCGKSA-N 2 0 252.358 0.025 20 30 CCEDRP C[NH+](C)CCCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001252069361 807789890 /nfs/dbraw/zinc/78/98/90/807789890.db2.gz QFOGHTBARGLVEV-UHFFFAOYSA-N 2 0 266.389 0.822 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252470328 807881824 /nfs/dbraw/zinc/88/18/24/807881824.db2.gz JVEXWPABDKHLNJ-ZDUSSCGKSA-N 2 0 254.374 0.578 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252583668 807914059 /nfs/dbraw/zinc/91/40/59/807914059.db2.gz PUIBGXWUNYKJRB-UMVBOHGHSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278787912 808244893 /nfs/dbraw/zinc/24/48/93/808244893.db2.gz XRZRKDHEMSZYPM-GDBMZVCRSA-N 2 0 293.411 0.047 20 30 CCEDRP C[N@@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001254509139 808248289 /nfs/dbraw/zinc/24/82/89/808248289.db2.gz XCINUZBCNFQJTR-CYBMUJFWSA-N 2 0 274.368 0.975 20 30 CCEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278787387 808249017 /nfs/dbraw/zinc/24/90/17/808249017.db2.gz QZMALIQJXDKOSZ-HOCLYGCPSA-N 2 0 295.427 0.149 20 30 CCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncc1C ZINC001278865338 808355797 /nfs/dbraw/zinc/35/57/97/808355797.db2.gz VWZYTKNZZSMAAL-CQSZACIVSA-N 2 0 294.399 0.519 20 30 CCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278865494 808359088 /nfs/dbraw/zinc/35/90/88/808359088.db2.gz ZMNPNZIHGVVMSU-GJZGRUSLSA-N 2 0 297.443 0.798 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278873501 808411050 /nfs/dbraw/zinc/41/10/50/808411050.db2.gz JFDPGRZLBSVZRQ-ZIAGYGMSSA-N 2 0 285.432 0.510 20 30 CCEDRP N#Cc1ncn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC001261177557 808920646 /nfs/dbraw/zinc/92/06/46/808920646.db2.gz WRURSSNPTIVBGO-RYUDHWBXSA-N 2 0 260.345 0.366 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264706914 809673750 /nfs/dbraw/zinc/67/37/50/809673750.db2.gz XRKNPRRNEUAVNL-RDBSUJKOSA-N 2 0 265.401 0.785 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310587 809755640 /nfs/dbraw/zinc/75/56/40/809755640.db2.gz RDTZGHBZAJMCJJ-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC=C)CC1 ZINC001265870557 809881475 /nfs/dbraw/zinc/88/14/75/809881475.db2.gz RTEBQCQFQVNYKP-CYBMUJFWSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279408432 809977087 /nfs/dbraw/zinc/97/70/87/809977087.db2.gz BLVRSMAVQDZRJQ-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088836445 815368517 /nfs/dbraw/zinc/36/85/17/815368517.db2.gz XXAPYWKDGGFJAQ-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH2+]CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267373570 811231399 /nfs/dbraw/zinc/23/13/99/811231399.db2.gz FKWBCYJHEKTKRB-UHFFFAOYSA-N 2 0 293.415 0.682 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023628 815434886 /nfs/dbraw/zinc/43/48/86/815434886.db2.gz KWYKGYSJYWYDHS-KBUPBQIOSA-N 2 0 295.427 0.454 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279746968 811653388 /nfs/dbraw/zinc/65/33/88/811653388.db2.gz YAPFWTFWTBXWIU-AWEZNQCLSA-N 2 0 283.416 0.457 20 30 CCEDRP C#CC[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001267858213 811839619 /nfs/dbraw/zinc/83/96/19/811839619.db2.gz ONBVPJDCAGHIPQ-AWEZNQCLSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001268033644 812052506 /nfs/dbraw/zinc/05/25/06/812052506.db2.gz WUVAHEJBGRJQRI-CYBMUJFWSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268150896 812308977 /nfs/dbraw/zinc/30/89/77/812308977.db2.gz NTOPGJGGXMHUPS-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP N#CCOc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167880402 812395029 /nfs/dbraw/zinc/39/50/29/812395029.db2.gz LJJORZRMHTWADY-UHFFFAOYSA-N 2 0 262.317 0.659 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268249579 812415916 /nfs/dbraw/zinc/41/59/16/812415916.db2.gz WDUZRTLYAJUUAE-OAHLLOKOSA-N 2 0 297.443 0.613 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268327249 812489394 /nfs/dbraw/zinc/48/93/94/812489394.db2.gz ILIBCSQCFLGWLN-HNNXBMFYSA-N 2 0 297.443 0.750 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684819 812562910 /nfs/dbraw/zinc/56/29/10/812562910.db2.gz UGHFWEFCMZLUMA-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545894 812834189 /nfs/dbraw/zinc/83/41/89/812834189.db2.gz UQYRWTCRKBRFHW-DZGCQCFKSA-N 2 0 277.412 0.952 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580380 812863254 /nfs/dbraw/zinc/86/32/54/812863254.db2.gz VNSJFIRZAYUFAS-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268660624 812989063 /nfs/dbraw/zinc/98/90/63/812989063.db2.gz SUAYQBNXDLWIPD-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001268693664 813012221 /nfs/dbraw/zinc/01/22/21/813012221.db2.gz BEJKPIHASCHZKX-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636182 813071938 /nfs/dbraw/zinc/07/19/38/813071938.db2.gz LLTDIFIDIWKSPD-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636183 813072180 /nfs/dbraw/zinc/07/21/80/813072180.db2.gz LLTDIFIDIWKSPD-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001269453544 813375938 /nfs/dbraw/zinc/37/59/38/813375938.db2.gz DVHMIFGHGXOHIE-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028987226 813727156 /nfs/dbraw/zinc/72/71/56/813727156.db2.gz WKINHRDIKWGJPJ-UONOGXRCSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087827620 814226506 /nfs/dbraw/zinc/22/65/06/814226506.db2.gz BXGPKKAKNHEBRU-MELADBBJSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908703 814265938 /nfs/dbraw/zinc/26/59/38/814265938.db2.gz KZLBSGWQWCCBLJ-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322479 816740229 /nfs/dbraw/zinc/74/02/29/816740229.db2.gz QGIMGHULDOIGGS-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622829 816827701 /nfs/dbraw/zinc/82/77/01/816827701.db2.gz SHWYUMCQUOWPGE-CHWSQXEVSA-N 2 0 251.374 0.255 20 30 CCEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641032 816900646 /nfs/dbraw/zinc/90/06/46/816900646.db2.gz AKAYBDQEGGSHIK-HNNXBMFYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668945 817234213 /nfs/dbraw/zinc/23/42/13/817234213.db2.gz TXDVOISZLWXPCW-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC001106986270 817574180 /nfs/dbraw/zinc/57/41/80/817574180.db2.gz IMHUMWZNAPCIAF-UKRRQHHQSA-N 2 0 288.395 0.899 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706566 817577578 /nfs/dbraw/zinc/57/75/78/817577578.db2.gz NHPFYEKXEPQWFY-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC=C)C2)CC1 ZINC001032205319 817700488 /nfs/dbraw/zinc/70/04/88/817700488.db2.gz VJWWBZNJZDZHCN-UHFFFAOYSA-N 2 0 275.396 0.566 20 30 CCEDRP CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960618 818389509 /nfs/dbraw/zinc/38/95/09/818389509.db2.gz XVWLAKPNTLJJCH-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833406 818529640 /nfs/dbraw/zinc/52/96/40/818529640.db2.gz ZJMIHMFLQJZGEO-CABCVRRESA-N 2 0 295.427 0.456 20 30 CCEDRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC#CCOC ZINC001128533554 818611421 /nfs/dbraw/zinc/61/14/21/818611421.db2.gz OBOLYDRTZYYHOC-CYBMUJFWSA-N 2 0 287.379 0.022 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128544438 818621966 /nfs/dbraw/zinc/62/19/66/818621966.db2.gz MJNNRLLGFIFAJN-GFCCVEGCSA-N 2 0 257.353 0.395 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580459 818837082 /nfs/dbraw/zinc/83/70/82/818837082.db2.gz FBKXGBSZEVAFGZ-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659866 818881360 /nfs/dbraw/zinc/88/13/60/818881360.db2.gz ZIDKGCGXVHFZCJ-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831714 818962177 /nfs/dbraw/zinc/96/21/77/818962177.db2.gz XJLHPEJLWKDIOQ-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385717 819190087 /nfs/dbraw/zinc/19/00/87/819190087.db2.gz NIGFVEKUUOEOOH-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034489377 819221142 /nfs/dbraw/zinc/22/11/42/819221142.db2.gz BXUCKVJALLFIDJ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035669530 819606787 /nfs/dbraw/zinc/60/67/87/819606787.db2.gz SFVSKGBSTKDYDX-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326649 820939817 /nfs/dbraw/zinc/93/98/17/820939817.db2.gz LXNREXWSVCEKRH-RRFJBIMHSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544270 820995988 /nfs/dbraw/zinc/99/59/88/820995988.db2.gz TUHNNMRYNHNJIL-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559173 820999467 /nfs/dbraw/zinc/99/94/67/820999467.db2.gz WCAZVFDGLSRURV-MRVWCRGKSA-N 2 0 263.385 0.396 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082859750 821047714 /nfs/dbraw/zinc/04/77/14/821047714.db2.gz CJZSOBJVAWAVFY-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662386 821341466 /nfs/dbraw/zinc/34/14/66/821341466.db2.gz HYVKJAQQVHGBIL-ARFHVFGLSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988306 821870190 /nfs/dbraw/zinc/87/01/90/821870190.db2.gz GOYTXTOOFLYXAR-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086371683 822229572 /nfs/dbraw/zinc/22/95/72/822229572.db2.gz SNUFQVULSGAKHN-AJNGGQMLSA-N 2 0 293.411 0.520 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129839607 837571529 /nfs/dbraw/zinc/57/15/29/837571529.db2.gz CBLLHOSWXQKRFK-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130478039 837800926 /nfs/dbraw/zinc/80/09/26/837800926.db2.gz RCPRMGPTZARLTH-CYBMUJFWSA-N 2 0 292.383 0.354 20 30 CCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132278 836726057 /nfs/dbraw/zinc/72/60/57/836726057.db2.gz RFYJXFLTWAIAPP-LSDHHAIUSA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977646 836751404 /nfs/dbraw/zinc/75/14/04/836751404.db2.gz SSJAGENBSKOORQ-ILXRZTDVSA-N 2 0 295.427 0.862 20 30 CCEDRP C=CCCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545195 837155308 /nfs/dbraw/zinc/15/53/08/837155308.db2.gz CVXUQMRQFYKCSE-UHFFFAOYSA-N 2 0 283.416 0.675 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491345 837893070 /nfs/dbraw/zinc/89/30/70/837893070.db2.gz ZRDRFXOSAUSCFZ-ZIAGYGMSSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196467 838019468 /nfs/dbraw/zinc/01/94/68/838019468.db2.gz GXFGZEUBRHXQBC-UHFFFAOYSA-N 2 0 283.335 0.610 20 30 CCEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681427 838173660 /nfs/dbraw/zinc/17/36/60/838173660.db2.gz BKVKALLXUJMBFA-HOCLYGCPSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132522233 838426143 /nfs/dbraw/zinc/42/61/43/838426143.db2.gz NFIACQIKDXISHU-ZIAGYGMSSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090403 838553725 /nfs/dbraw/zinc/55/37/25/838553725.db2.gz HDDZHQWEPNLBQH-KBPBESRZSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245781 838582563 /nfs/dbraw/zinc/58/25/63/838582563.db2.gz KTSSEMMVNFZVAW-LSDHHAIUSA-N 2 0 295.427 0.272 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690736 838697073 /nfs/dbraw/zinc/69/70/73/838697073.db2.gz UYMAUKLRIVHGJW-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133865534 838756166 /nfs/dbraw/zinc/75/61/66/838756166.db2.gz FCPKJNSLEHHSPM-MWLCHTKSSA-N 2 0 259.781 0.642 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134749864 839063775 /nfs/dbraw/zinc/06/37/75/839063775.db2.gz DSLKXBGXMLUUCK-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372209 839228905 /nfs/dbraw/zinc/22/89/05/839228905.db2.gz OQBPQDKSXNJCHQ-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135702959 839365523 /nfs/dbraw/zinc/36/55/23/839365523.db2.gz VMBKPKPMUOKQBG-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135861130 839445205 /nfs/dbraw/zinc/44/52/05/839445205.db2.gz MOHTVTBVIBUTRQ-CABCVRRESA-N 2 0 297.443 0.851 20 30 CCEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135979181 839486714 /nfs/dbraw/zinc/48/67/14/839486714.db2.gz DAHXSYSEJNNUPR-GJZGRUSLSA-N 2 0 297.443 0.851 20 30 CCEDRP N#Cc1ccnc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170899201 839545114 /nfs/dbraw/zinc/54/51/14/839545114.db2.gz YJGHDUWDKXERDX-MRVPVSSYSA-N 2 0 250.262 0.297 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001185789142 844460081 /nfs/dbraw/zinc/46/00/81/844460081.db2.gz SNBLUCVBFBEJIE-KBPBESRZSA-N 2 0 274.368 0.591 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273270 839742910 /nfs/dbraw/zinc/74/29/10/839742910.db2.gz KEEZNGBNXBISJD-OAHLLOKOSA-N 2 0 295.427 0.607 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042757 840609786 /nfs/dbraw/zinc/60/97/86/840609786.db2.gz UXPZZGYUDOHLIR-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834963 840695226 /nfs/dbraw/zinc/69/52/26/840695226.db2.gz PCJOTFCCVCKVPV-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193548 841171187 /nfs/dbraw/zinc/17/11/87/841171187.db2.gz JOQUKGJWGUFHFQ-MGPQQGTHSA-N 2 0 263.385 0.255 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176991929 842480311 /nfs/dbraw/zinc/48/03/11/842480311.db2.gz FWYDLQBANMRKEC-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359441 843005732 /nfs/dbraw/zinc/00/57/32/843005732.db2.gz SFJYTQXOXHHYAQ-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114822 843764188 /nfs/dbraw/zinc/76/41/88/843764188.db2.gz QGCVDGJRFYOULH-UHFFFAOYSA-N 2 0 290.205 0.697 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676197 843884998 /nfs/dbraw/zinc/88/49/98/843884998.db2.gz DSIIMVXWAWTHRM-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001183079953 843960455 /nfs/dbraw/zinc/96/04/55/843960455.db2.gz JCMFMISKZIZKQW-UHFFFAOYSA-N 2 0 275.356 0.422 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240564 843990944 /nfs/dbraw/zinc/99/09/44/843990944.db2.gz KPKFLYMNEMFVKY-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266519 843996755 /nfs/dbraw/zinc/99/67/55/843996755.db2.gz BOPJKZLOPJGDKB-ZIAGYGMSSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444268 845400024 /nfs/dbraw/zinc/40/00/24/845400024.db2.gz QARLMQVSRSFJCV-KGLIPLIRSA-N 2 0 283.391 0.832 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193460374 846080214 /nfs/dbraw/zinc/08/02/14/846080214.db2.gz BHIXZFPVBUMEMJ-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194102089 846221592 /nfs/dbraw/zinc/22/15/92/846221592.db2.gz BNBXRCJOLRSBSS-MGPQQGTHSA-N 2 0 283.416 0.454 20 30 CCEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194292729 846268713 /nfs/dbraw/zinc/26/87/13/846268713.db2.gz BWKVGHKQWSRIBN-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057992 847215564 /nfs/dbraw/zinc/21/55/64/847215564.db2.gz ZCQWEVRDXXFOAK-HUUCEWRRSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202295927 847883751 /nfs/dbraw/zinc/88/37/51/847883751.db2.gz AWFLXBXFHZKUAG-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001275144355 848650880 /nfs/dbraw/zinc/65/08/80/848650880.db2.gz YLKVGUAQHBYRSJ-KGLIPLIRSA-N 2 0 265.401 0.883 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114775041 849393155 /nfs/dbraw/zinc/39/31/55/849393155.db2.gz ZFDNMLSOMLASHV-IMRBUKKESA-N 2 0 251.374 0.561 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccnn1C ZINC000305870737 849520211 /nfs/dbraw/zinc/52/02/11/849520211.db2.gz VBDWERPYGCDVGD-ZDUSSCGKSA-N 2 0 278.404 0.351 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCCC#N ZINC000720886981 849558889 /nfs/dbraw/zinc/55/88/89/849558889.db2.gz HTXNFQXPRRYZII-RWMBFGLXSA-N 2 0 264.373 0.703 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]([NH3+])CCCC#N ZINC000720886948 849559228 /nfs/dbraw/zinc/55/92/28/849559228.db2.gz HTXNFQXPRRYZII-FRRDWIJNSA-N 2 0 264.373 0.703 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785596 850502220 /nfs/dbraw/zinc/50/22/20/850502220.db2.gz JBDYNEWUFWKMIB-DOTOQJQBSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042356916 850619380 /nfs/dbraw/zinc/61/93/80/850619380.db2.gz JLVYKNPFCPATEW-GJZGRUSLSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046773131 851609685 /nfs/dbraw/zinc/60/96/85/851609685.db2.gz JLTATWRSONFPOC-AWEZNQCLSA-N 2 0 261.369 0.296 20 30 CCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384839 851745542 /nfs/dbraw/zinc/74/55/42/851745542.db2.gz JSWUNWXKQUJYDW-KBXIAJHMSA-N 2 0 295.427 0.406 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875644 852093326 /nfs/dbraw/zinc/09/33/26/852093326.db2.gz GJYWSZUFGKAGMU-XHSDSOJGSA-N 2 0 291.439 0.986 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058459 852149942 /nfs/dbraw/zinc/14/99/42/852149942.db2.gz YLIOSVIHFVZRKT-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170816 852183987 /nfs/dbraw/zinc/18/39/87/852183987.db2.gz FWHPMPUQIMDPIR-SOUVJXGZSA-N 2 0 275.396 0.352 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215221 852196651 /nfs/dbraw/zinc/19/66/51/852196651.db2.gz OIVXUVASTZADLD-KFWWJZLASA-N 2 0 275.396 0.352 20 30 CCEDRP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCC1=O ZINC001254668566 852903788 /nfs/dbraw/zinc/90/37/88/852903788.db2.gz GVTLGSSDCDEPLH-KGLIPLIRSA-N 2 0 278.400 0.775 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001054854250 853025054 /nfs/dbraw/zinc/02/50/54/853025054.db2.gz QXNDSEODQUNBHU-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001050668149 853409318 /nfs/dbraw/zinc/40/93/18/853409318.db2.gz JOVLOPVLIUZYBO-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753786 853423662 /nfs/dbraw/zinc/42/36/62/853423662.db2.gz DESQRDJXEMRYBU-CQSZACIVSA-N 2 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C#CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447861 892673044 /nfs/dbraw/zinc/67/30/44/892673044.db2.gz UORSEDPBJQVQTM-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@H]1[NH3+] ZINC001326115638 913755867 /nfs/dbraw/zinc/75/58/67/913755867.db2.gz LCQHAZHITVAVNB-UTUOFQBUSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482170060 893455295 /nfs/dbraw/zinc/45/52/95/893455295.db2.gz YPNRLROPFIALOB-QWHCGFSZSA-N 2 0 251.374 0.303 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317546347 893481669 /nfs/dbraw/zinc/48/16/69/893481669.db2.gz CTQHQWRZBGHCNH-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001482566608 894248798 /nfs/dbraw/zinc/24/87/98/894248798.db2.gz YLVFRPHMBXAFHO-AWEZNQCLSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482742259 894559536 /nfs/dbraw/zinc/55/95/36/894559536.db2.gz RBWLNYQMDWHKLB-AWEZNQCLSA-N 2 0 295.427 0.505 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482841010 894645541 /nfs/dbraw/zinc/64/55/41/894645541.db2.gz BLKNDSGFIHXIOU-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001483587865 895665002 /nfs/dbraw/zinc/66/50/02/895665002.db2.gz OGCRTUHIYQCWDW-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001484412877 896378804 /nfs/dbraw/zinc/37/88/04/896378804.db2.gz FHJNYFJUWBNAMX-OKILXGFUSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001484688498 896543222 /nfs/dbraw/zinc/54/32/22/896543222.db2.gz WYLSQOZGMQZHMN-UONOGXRCSA-N 2 0 283.416 0.576 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001484903400 896661940 /nfs/dbraw/zinc/66/19/40/896661940.db2.gz AISVPOOIFMQDLU-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001485095805 896774510 /nfs/dbraw/zinc/77/45/10/896774510.db2.gz DVUVYANGRUFEBI-YMAMQOFZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001485157686 896826416 /nfs/dbraw/zinc/82/64/16/896826416.db2.gz MWUDELZLCBZOJA-QWHCGFSZSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212411818 897899970 /nfs/dbraw/zinc/89/99/70/897899970.db2.gz JZQPWVCLHMGITH-RBSFLKMASA-N 2 0 295.427 0.718 20 30 CCEDRP C#CCN1CC[C@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272887832 898121785 /nfs/dbraw/zinc/12/17/85/898121785.db2.gz KPLWTIPOGZJNOK-KRWDZBQOSA-N 2 0 289.423 0.886 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078006203 898175894 /nfs/dbraw/zinc/17/58/94/898175894.db2.gz VSNAYFNSEPNFSD-MGPQQGTHSA-N 2 0 281.400 0.066 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486312383 898789314 /nfs/dbraw/zinc/78/93/14/898789314.db2.gz YLMPGXGYLULJLV-LSDHHAIUSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486336808 898798978 /nfs/dbraw/zinc/79/89/78/898798978.db2.gz DSTMAPBVVGFAOQ-RBSFLKMASA-N 2 0 295.427 0.101 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001327130199 914389832 /nfs/dbraw/zinc/38/98/32/914389832.db2.gz FKSUWYRVWVAHGQ-NWDGAFQWSA-N 2 0 252.362 0.513 20 30 CCEDRP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488948793 900417418 /nfs/dbraw/zinc/41/74/18/900417418.db2.gz OUUJDISZQYEYGF-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001490706466 900697997 /nfs/dbraw/zinc/69/79/97/900697997.db2.gz YGISMMMRYBXVFT-ZIAGYGMSSA-N 2 0 265.401 0.690 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](C#N)CCC#N ZINC001326600549 901825144 /nfs/dbraw/zinc/82/51/44/901825144.db2.gz XZNBUIBCBSBTJN-KGLIPLIRSA-N 2 0 263.389 0.655 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491178900 903423466 /nfs/dbraw/zinc/42/34/66/903423466.db2.gz HKWNKUSHJREADW-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001329550162 903807451 /nfs/dbraw/zinc/80/74/51/903807451.db2.gz PNRQKADXTZBVKT-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064552 903832306 /nfs/dbraw/zinc/83/23/06/903832306.db2.gz OXXZUUOQKCVUNR-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001316599391 904113105 /nfs/dbraw/zinc/11/31/05/904113105.db2.gz SQCWPMJDBAKTMM-UONOGXRCSA-N 2 0 265.401 0.883 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332536652 904361782 /nfs/dbraw/zinc/36/17/82/904361782.db2.gz JOHYKCHCXVLOQW-AWEZNQCLSA-N 2 0 293.411 0.047 20 30 CCEDRP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001281968970 904376759 /nfs/dbraw/zinc/37/67/59/904376759.db2.gz RNGGDQRXOIMZJJ-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001282735294 904529831 /nfs/dbraw/zinc/52/98/31/904529831.db2.gz LPBTYOPIQCZRCN-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001332647454 904551555 /nfs/dbraw/zinc/55/15/55/904551555.db2.gz KTINQYYDNUWFBC-KKUMJFAQSA-N 2 0 297.443 0.654 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001282879398 904561104 /nfs/dbraw/zinc/56/11/04/904561104.db2.gz WHTHXAPENUKGFH-PHZGNYQRSA-N 2 0 289.423 0.646 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001283189967 904741355 /nfs/dbraw/zinc/74/13/55/904741355.db2.gz BTINEVNQRFWOFT-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001327903098 914848227 /nfs/dbraw/zinc/84/82/27/914848227.db2.gz NLTUWSZAAIOBRJ-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001283492166 904871804 /nfs/dbraw/zinc/87/18/04/904871804.db2.gz HHKUTMVMEYHVJD-KBPBESRZSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283715652 904971315 /nfs/dbraw/zinc/97/13/15/904971315.db2.gz VCGUZIWSSHZKET-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001283786021 905015022 /nfs/dbraw/zinc/01/50/22/905015022.db2.gz WPQFMIGLXHFBKW-AWEZNQCLSA-N 2 0 297.443 0.751 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001292874081 906359947 /nfs/dbraw/zinc/35/99/47/906359947.db2.gz ZIZXZYYTJALNDY-ZDUSSCGKSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001491605461 907486860 /nfs/dbraw/zinc/48/68/60/907486860.db2.gz MGWKFYZEQGNOOL-CYBMUJFWSA-N 2 0 291.399 0.176 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491748377 907549462 /nfs/dbraw/zinc/54/94/62/907549462.db2.gz PMSRQIYGXNAPHQ-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491815101 907587173 /nfs/dbraw/zinc/58/71/73/907587173.db2.gz YVYDDRBGHUCENX-OAHLLOKOSA-N 2 0 289.423 0.934 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001316971260 908886755 /nfs/dbraw/zinc/88/67/55/908886755.db2.gz BUPYFVJMICUKPO-AWEZNQCLSA-N 2 0 282.432 0.246 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC#CCOC)C1 ZINC001317345379 909152485 /nfs/dbraw/zinc/15/24/85/909152485.db2.gz ZRCODWQPPHCEFE-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319190007 910024936 /nfs/dbraw/zinc/02/49/36/910024936.db2.gz QZBYKNOVZNVZPJ-UKRRQHHQSA-N 2 0 277.412 0.693 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001320226661 910539552 /nfs/dbraw/zinc/53/95/52/910539552.db2.gz DPLPCRZMFPBIJF-UONOGXRCSA-N 2 0 283.416 0.504 20 30 CCEDRP C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320269932 910568107 /nfs/dbraw/zinc/56/81/07/910568107.db2.gz DPPPFZWOIXQJLF-ZFWWWQNUSA-N 2 0 297.443 0.750 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001321142125 911115706 /nfs/dbraw/zinc/11/57/06/911115706.db2.gz RNWGVQPSYLEGDE-SNAWJCMRSA-N 2 0 275.396 0.900 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321847891 911524993 /nfs/dbraw/zinc/52/49/93/911524993.db2.gz CDZGVWBHSGQCIW-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCF)CC1 ZINC001322088704 911648478 /nfs/dbraw/zinc/64/84/78/911648478.db2.gz LVIOSFXBUFAMNF-LBPRGKRZSA-N 2 0 269.364 0.395 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001343433499 923311249 /nfs/dbraw/zinc/31/12/49/923311249.db2.gz XXLYCSGWYZCEOO-ZDUSSCGKSA-N 2 0 251.374 0.303 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC001329099075 915666486 /nfs/dbraw/zinc/66/64/86/915666486.db2.gz FSDHFMVJIJIGCB-UTUOFQBUSA-N 2 0 252.362 0.654 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001329105646 915676738 /nfs/dbraw/zinc/67/67/38/915676738.db2.gz ASSRESMQSMVHEA-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330649266 916765815 /nfs/dbraw/zinc/76/58/15/916765815.db2.gz WVYVOXRVJZZSCL-YVECIDJPSA-N 2 0 264.373 0.654 20 30 CCEDRP C[NH2+]C[C@@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331323167 917267176 /nfs/dbraw/zinc/26/71/76/917267176.db2.gz XLVFPLRRRDQPNX-KTEZZQQRSA-N 2 0 264.373 0.097 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001331842519 917658062 /nfs/dbraw/zinc/65/80/62/917658062.db2.gz QMWMYIRYTPCONB-OLZOCXBDSA-N 2 0 269.389 0.114 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332565652 918280088 /nfs/dbraw/zinc/28/00/88/918280088.db2.gz GECMEDGCPFVPDD-ZIAGYGMSSA-N 2 0 283.416 0.005 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001332995797 918588777 /nfs/dbraw/zinc/58/87/77/918588777.db2.gz XZGXDTLFWBLCJJ-SDDRHHMPSA-N 2 0 250.346 0.360 20 30 CCEDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001335352886 920141456 /nfs/dbraw/zinc/14/14/56/920141456.db2.gz VYDTYJZQXFEPCD-CQSZACIVSA-N 2 0 282.432 0.514 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001336892784 921086564 /nfs/dbraw/zinc/08/65/64/921086564.db2.gz BYONERXMPOFJMO-HOCLYGCPSA-N 2 0 292.427 0.854 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC001341152683 922360681 /nfs/dbraw/zinc/36/06/81/922360681.db2.gz FXHBLZZEQGPNLF-GUTXKFCHSA-N 2 0 263.385 0.753 20 30 CCEDRP C=C[C@](C)(O)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001341514977 922526349 /nfs/dbraw/zinc/52/63/49/922526349.db2.gz JZKGOGNSTAXLAS-AWEZNQCLSA-N 2 0 276.340 0.367 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001341697885 922633905 /nfs/dbraw/zinc/63/39/05/922633905.db2.gz VKNVROGAMIIZLQ-KKUMJFAQSA-N 2 0 295.427 0.728 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001342960292 923147359 /nfs/dbraw/zinc/14/73/59/923147359.db2.gz MPSHHLJBRBOUTP-DYEKYZERSA-N 2 0 264.373 0.737 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420177426 923373225 /nfs/dbraw/zinc/37/32/25/923373225.db2.gz XDOYHQLSTLAFMA-JQWIXIFHSA-N 2 0 289.807 0.147 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001344708740 923670338 /nfs/dbraw/zinc/67/03/38/923670338.db2.gz QDJYDJHTEMICFL-ZDUSSCGKSA-N 2 0 268.405 0.209 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001345371260 923866716 /nfs/dbraw/zinc/86/67/16/923866716.db2.gz RCJAJNNJUVHUDI-CYBMUJFWSA-N 2 0 263.385 0.719 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC001346191597 924103403 /nfs/dbraw/zinc/10/34/03/924103403.db2.gz OMEMLWJBYLBOIH-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N1CC[NH+](C)CC1 ZINC001349825803 925071986 /nfs/dbraw/zinc/07/19/86/925071986.db2.gz YWJVKAZYJODOMC-ZIAGYGMSSA-N 2 0 295.431 0.150 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200116617 925627804 /nfs/dbraw/zinc/62/78/04/925627804.db2.gz YXFXTRYLBASASZ-UONOGXRCSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CCOCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530479 925888440 /nfs/dbraw/zinc/88/84/40/925888440.db2.gz ICUUHHWLUHJRFM-ZDUSSCGKSA-N 2 0 283.416 0.625 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001353957482 925974146 /nfs/dbraw/zinc/97/41/46/925974146.db2.gz FIKGMDWBSMHGPV-QWRGUYRKSA-N 2 0 270.402 0.219 20 30 CCEDRP N#CC1(C[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000600744876 362053017 /nfs/dbraw/zinc/05/30/17/362053017.db2.gz QEGJDJLZIQMRSS-LSDHHAIUSA-N 2 0 295.427 0.868 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000600768926 362056625 /nfs/dbraw/zinc/05/66/25/362056625.db2.gz LZWRKAKHOFIWNQ-LLVKDONJSA-N 2 0 276.340 0.438 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601976322 362448015 /nfs/dbraw/zinc/44/80/15/362448015.db2.gz VZNXCMUFPQPCGG-DYEKYZERSA-N 2 0 264.373 0.656 20 30 CCEDRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847336 362834590 /nfs/dbraw/zinc/83/45/90/362834590.db2.gz AITGNAWGYHTAHL-ZNMIVQPWSA-N 2 0 282.432 0.606 20 30 CCEDRP Cn1cc(C[NH2+]CCOCC[NH+](C)C)cc1C#N ZINC000234255200 352156463 /nfs/dbraw/zinc/15/64/63/352156463.db2.gz SBPCLRRANDOCMB-UHFFFAOYSA-N 2 0 250.346 0.565 20 30 CCEDRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594427055 360301219 /nfs/dbraw/zinc/30/12/19/360301219.db2.gz SLBGKKXKKDMMLG-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000594439377 360308083 /nfs/dbraw/zinc/30/80/83/360308083.db2.gz QCZNDBNOYXOHIC-OCCSQVGLSA-N 2 0 264.373 0.610 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000594439964 360308292 /nfs/dbraw/zinc/30/82/92/360308292.db2.gz WTEDYKXPJVJSPM-CHWSQXEVSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439607 360308441 /nfs/dbraw/zinc/30/84/41/360308441.db2.gz SOMUWASYTYZAIZ-XBFCOCLRSA-N 2 0 278.400 0.997 20 30 CCEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CC(C)(C)C#N ZINC000598599944 361455290 /nfs/dbraw/zinc/45/52/90/361455290.db2.gz SGQCKJOLAWICFR-OAHLLOKOSA-N 2 0 296.459 0.856 20 30 CCEDRP C=CC[C@]1(C(=O)NCC2([NH3+])CCOCC2)CCC[NH2+]1 ZINC000638542013 375132471 /nfs/dbraw/zinc/13/24/71/375132471.db2.gz WLBIOJGYXPWPNB-CQSZACIVSA-N 2 0 267.373 0.309 20 30 CCEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639044149 375541846 /nfs/dbraw/zinc/54/18/46/375541846.db2.gz FQKYWFOQBLLEJX-ZDUSSCGKSA-N 2 0 256.390 0.748 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000357247023 389132222 /nfs/dbraw/zinc/13/22/22/389132222.db2.gz YNIVCVLDLHDMCP-LLVKDONJSA-N 2 0 251.374 0.609 20 30 CCEDRP C=CCNC(=O)CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245427701 389206825 /nfs/dbraw/zinc/20/68/25/389206825.db2.gz MCFJFEABGSXWAZ-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C[C@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)N1 ZINC000262640525 389291152 /nfs/dbraw/zinc/29/11/52/389291152.db2.gz HQWWTMICVGEZLN-SGMGOOAPSA-N 2 0 290.415 0.740 20 30 CCEDRP C#CCNC(NCC1([NH+]2CCCC2)CCOCC1)=[NH+]C ZINC000262784785 389294754 /nfs/dbraw/zinc/29/47/54/389294754.db2.gz MBNFLAJYZFHDSA-UHFFFAOYSA-N 2 0 278.400 0.430 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000264132729 389308610 /nfs/dbraw/zinc/30/86/10/389308610.db2.gz YJQNXFJZVHHEIO-UHFFFAOYSA-N 2 0 295.431 0.444 20 30 CCEDRP N#C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000442796270 389862972 /nfs/dbraw/zinc/86/29/72/389862972.db2.gz VTCAPWJNZUUELF-MCIONIFRSA-N 2 0 278.400 0.856 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649323733 390581961 /nfs/dbraw/zinc/58/19/61/390581961.db2.gz VYIDPCSFJFPPCE-GFCCVEGCSA-N 2 0 287.354 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000565597960 390527858 /nfs/dbraw/zinc/52/78/58/390527858.db2.gz WZMZUYMZNKUPTG-LBPRGKRZSA-N 2 0 250.346 0.386 20 30 CCEDRP C[C@@H](CCO)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)CCO ZINC000649870865 397677001 /nfs/dbraw/zinc/67/70/01/397677001.db2.gz LQQCJSGBJJLBCE-KBPBESRZSA-N 2 0 256.390 0.395 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659450074 413508060 /nfs/dbraw/zinc/50/80/60/413508060.db2.gz GJYQYSYUYYAKOB-NSHDSACASA-N 2 0 254.378 0.544 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659449962 413510961 /nfs/dbraw/zinc/51/09/61/413510961.db2.gz CHOIQEWQYGRVIB-UHFFFAOYSA-N 2 0 278.400 0.770 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662757855 414765169 /nfs/dbraw/zinc/76/51/69/414765169.db2.gz OHDOGBWQRULXBK-OAHLLOKOSA-N 2 0 280.416 0.048 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662782203 414789472 /nfs/dbraw/zinc/78/94/72/414789472.db2.gz CFJUPHNYEOQHPD-SGMGOOAPSA-N 2 0 251.374 0.928 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000662785753 414792540 /nfs/dbraw/zinc/79/25/40/414792540.db2.gz ZSWYVUZRWZDVFR-AWEZNQCLSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665275190 415582776 /nfs/dbraw/zinc/58/27/76/415582776.db2.gz FANQAUWDUGCQQV-BFHYXJOUSA-N 2 0 254.374 0.936 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000490655935 261177649 /nfs/dbraw/zinc/17/76/49/261177649.db2.gz FBKCZAGYAFREMP-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C[NH+](C)CCCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000264249904 262885848 /nfs/dbraw/zinc/88/58/48/262885848.db2.gz GWPZNLRJRRRNNR-UHFFFAOYSA-N 2 0 250.346 0.791 20 30 CCEDRP C=CCNC(=O)[C@@H](C)N(C)C1CC[NH+](CCO)CC1 ZINC000357649319 266339725 /nfs/dbraw/zinc/33/97/25/266339725.db2.gz PJKKKPPWLWXYBN-GFCCVEGCSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362800851 267047041 /nfs/dbraw/zinc/04/70/41/267047041.db2.gz JFUJUGKSTSYQBN-OCCSQVGLSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCCC[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566112487 327138700 /nfs/dbraw/zinc/13/87/00/327138700.db2.gz WPQQPABHIWNANN-GJZGRUSLSA-N 2 0 269.433 0.929 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000262454127 330014282 /nfs/dbraw/zinc/01/42/82/330014282.db2.gz KMNBWLQLQIGYAH-QWHCGFSZSA-N 2 0 268.405 0.754 20 30 CCEDRP CN1CCC[NH+]=C1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000263046070 330040533 /nfs/dbraw/zinc/04/05/33/330040533.db2.gz CYMKLKKPFQQWRE-UHFFFAOYSA-N 2 0 295.431 0.260 20 30 CCEDRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424070200 330220113 /nfs/dbraw/zinc/22/01/13/330220113.db2.gz ABGGGNUCMIQQMF-NEPJUHHUSA-N 2 0 254.378 0.839 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000424145722 330291527 /nfs/dbraw/zinc/29/15/27/330291527.db2.gz OIFPDSKLWKBQCQ-VXGBXAGGSA-N 2 0 250.346 0.314 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000424164722 330308055 /nfs/dbraw/zinc/30/80/55/330308055.db2.gz DWZXCVACPXPUNR-JSGCOSHPSA-N 2 0 264.373 0.610 20 30 CCEDRP COCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424164895 330308457 /nfs/dbraw/zinc/30/84/57/330308457.db2.gz AKGZBGWDCPEEFF-LBPRGKRZSA-N 2 0 270.377 0.044 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447436419 330866784 /nfs/dbraw/zinc/86/67/84/330866784.db2.gz WMGFSFLBOKWECQ-LBPRGKRZSA-N 2 0 255.362 0.117 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000490670165 332101650 /nfs/dbraw/zinc/10/16/50/332101650.db2.gz LJORBQPJLDLXSL-GFCCVEGCSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCNC(=O)CC[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000491414393 332207476 /nfs/dbraw/zinc/20/74/76/332207476.db2.gz CJZLAEZZEURJSW-UHFFFAOYSA-N 2 0 273.380 0.977 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000491646841 332263758 /nfs/dbraw/zinc/26/37/58/332263758.db2.gz VHQCJWPIALVDJC-KKUMJFAQSA-N 2 0 292.427 0.710 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000491703265 332297116 /nfs/dbraw/zinc/29/71/16/332297116.db2.gz NKFGHIDPDBQFCW-HUUCEWRRSA-N 2 0 293.411 0.093 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000491728385 332311171 /nfs/dbraw/zinc/31/11/71/332311171.db2.gz MHHFHHPGLLMFSH-CABCVRRESA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000491729148 332311541 /nfs/dbraw/zinc/31/15/41/332311541.db2.gz NHJFZAZBESZRFT-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000491744747 332322756 /nfs/dbraw/zinc/32/27/56/332322756.db2.gz SMPHUBFGWFSHBV-GJZGRUSLSA-N 2 0 292.427 0.868 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000179217899 335481620 /nfs/dbraw/zinc/48/16/20/335481620.db2.gz WLSVVNXASQKXEE-UHFFFAOYSA-N 2 0 254.378 0.498 20 30 CCEDRP C[C@H]1C[NH+]=C(NN=Cc2ccc(OCC[NH+](C)C)cc2)N1 ZINC000779800625 581206635 /nfs/dbraw/zinc/20/66/35/581206635.db2.gz ONYKDMFSNXWMFP-LBPRGKRZSA-N 2 0 289.383 0.898 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000764471690 582049196 /nfs/dbraw/zinc/04/91/96/582049196.db2.gz MCYUEWFPTVNLSF-ZDUSSCGKSA-N 2 0 251.374 0.801 20 30 CCEDRP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000852795375 617179929 /nfs/dbraw/zinc/17/99/29/617179929.db2.gz XRIUROFQDFWYQJ-OCCSQVGLSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000883668195 613073481 /nfs/dbraw/zinc/07/34/81/613073481.db2.gz PRVKAIKYSGRDPB-UHFFFAOYSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000823188384 613072792 /nfs/dbraw/zinc/07/27/92/613072792.db2.gz QJPSOSWJOIORDG-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000876727693 613390048 /nfs/dbraw/zinc/39/00/48/613390048.db2.gz QXXYNRRKANWOEY-MNOVXSKESA-N 2 0 259.781 0.914 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000970795825 612962841 /nfs/dbraw/zinc/96/28/41/612962841.db2.gz HAWLTDLURYCSHG-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969677797 612996756 /nfs/dbraw/zinc/99/67/56/612996756.db2.gz QKWOQIYIZHDRIX-BBRMVZONSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCN(C(=O)C(=C)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886577332 613064896 /nfs/dbraw/zinc/06/48/96/613064896.db2.gz DUOCXLACIAZMMU-UHFFFAOYSA-N 2 0 263.385 0.660 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891921741 613073925 /nfs/dbraw/zinc/07/39/25/613073925.db2.gz UFJCHFGWLPLSJW-CQSZACIVSA-N 2 0 280.416 0.854 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861633954 613076184 /nfs/dbraw/zinc/07/61/84/613076184.db2.gz ALTUWLXUIFOMGI-CHWSQXEVSA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841909343 613076550 /nfs/dbraw/zinc/07/65/50/613076550.db2.gz CRBMZHPPVSVZJH-QWHCGFSZSA-N 2 0 266.389 0.511 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674187 613088958 /nfs/dbraw/zinc/08/89/58/613088958.db2.gz NQUIVNTXNXKJBJ-ZDUSSCGKSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972484614 613089373 /nfs/dbraw/zinc/08/93/73/613089373.db2.gz FDQGRACAWQRHSM-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330412 613089695 /nfs/dbraw/zinc/08/96/95/613089695.db2.gz GABLHANPAWIDIS-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)CC1 ZINC000812333202 613130046 /nfs/dbraw/zinc/13/00/46/613130046.db2.gz HLUTUZAKXHQEOF-CVEARBPZSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCF)C[C@H]32)CC1 ZINC000962784729 613131822 /nfs/dbraw/zinc/13/18/22/613131822.db2.gz YTWRTVVULMJDNU-FICVDOATSA-N 2 0 293.386 0.348 20 30 CCEDRP C#CC[NH+]1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000905657042 613138121 /nfs/dbraw/zinc/13/81/21/613138121.db2.gz YLNBCEPSNNPLOC-UHFFFAOYSA-N 2 0 268.430 0.110 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977924794 613308472 /nfs/dbraw/zinc/30/84/72/613308472.db2.gz WAQWZRSSSZNCMM-YIYPIFLZSA-N 2 0 261.369 0.008 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962556456 613345274 /nfs/dbraw/zinc/34/52/74/613345274.db2.gz RAMBAOXOHFSHOA-IGQOVBAYSA-N 2 0 263.385 0.561 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900808017 613365239 /nfs/dbraw/zinc/36/52/39/613365239.db2.gz XXZPUJMNZPIZKA-KBPBESRZSA-N 2 0 282.432 0.245 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876736850 613388446 /nfs/dbraw/zinc/38/84/46/613388446.db2.gz LEHUNXGJEHSVLO-GXSJLCMTSA-N 2 0 257.765 0.809 20 30 CCEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982150872 613543094 /nfs/dbraw/zinc/54/30/94/613543094.db2.gz YXLRLIJVMCADCP-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944293 613579120 /nfs/dbraw/zinc/57/91/20/613579120.db2.gz MEZLAYSBXJANAH-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366785 613591262 /nfs/dbraw/zinc/59/12/62/613591262.db2.gz ORFGJPORFBJSFF-KBPBESRZSA-N 2 0 253.390 0.293 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978959959 613834431 /nfs/dbraw/zinc/83/44/31/613834431.db2.gz MAVOKCGHJUKUND-ZSOGYDGISA-N 2 0 275.396 0.562 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923496342 613851608 /nfs/dbraw/zinc/85/16/08/613851608.db2.gz BLARZYGQHOUZBS-SDDRHHMPSA-N 2 0 282.388 0.303 20 30 CCEDRP CC(C)C[C@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884033867 614214792 /nfs/dbraw/zinc/21/47/92/614214792.db2.gz VNBWRCXKGFQSAN-SBEAFCBVSA-N 2 0 278.400 0.615 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852883579 614704282 /nfs/dbraw/zinc/70/42/82/614704282.db2.gz ZWUPSMBMYXJXAV-CYBMUJFWSA-N 2 0 263.385 0.494 20 30 CCEDRP CC[NH2+][C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884275095 615128728 /nfs/dbraw/zinc/12/87/28/615128728.db2.gz CYEXVSJSSNUQHE-KTEZZQQRSA-N 2 0 264.373 0.240 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864701 616352333 /nfs/dbraw/zinc/35/23/33/616352333.db2.gz FEZWLQNQQJJURK-HNNXBMFYSA-N 2 0 293.411 0.216 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccnn1 ZINC000181492874 625374597 /nfs/dbraw/zinc/37/45/97/625374597.db2.gz WWXVCVKWGRKMBV-GFCCVEGCSA-N 2 0 279.392 0.057 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026348336 625408417 /nfs/dbraw/zinc/40/84/17/625408417.db2.gz FMUCTEAHAPMHQU-ARFHVFGLSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001026606589 625480340 /nfs/dbraw/zinc/48/03/40/625480340.db2.gz KALJENLYRRZNRM-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975694 622874735 /nfs/dbraw/zinc/87/47/35/622874735.db2.gz RMIBFCCLKZAAID-KBXIAJHMSA-N 2 0 277.412 0.977 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907859 623813764 /nfs/dbraw/zinc/81/37/64/623813764.db2.gz BAXIICQCOVCMQT-CYBMUJFWSA-N 3 0 267.421 0.471 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432499 624476177 /nfs/dbraw/zinc/47/61/77/624476177.db2.gz OQKVLASOJPMXTM-RBSFLKMASA-N 2 0 275.396 0.731 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020541648 624505310 /nfs/dbraw/zinc/50/53/10/624505310.db2.gz HZMDRGHNGASGTF-JOCQHMNTSA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC)C2)CC1 ZINC001021090065 624657847 /nfs/dbraw/zinc/65/78/47/624657847.db2.gz LZBYYRIKTXDGBA-HDJSIYSDSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076914 624871007 /nfs/dbraw/zinc/87/10/07/624871007.db2.gz FDTBHMGSMHAJCE-KBXIAJHMSA-N 2 0 275.396 0.731 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414485 625873978 /nfs/dbraw/zinc/87/39/78/625873978.db2.gz QNNBGSIZZIJLCA-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@]1(C)CCCO1 ZINC000261802886 631621728 /nfs/dbraw/zinc/62/17/28/631621728.db2.gz RPDIHDURVXQWJW-JSGCOSHPSA-N 2 0 268.405 0.672 20 30 CCEDRP [NH2+]=C(NCCNc1cc[nH+]cc1)N1CCSCC1 ZINC000261964156 631735867 /nfs/dbraw/zinc/73/58/67/631735867.db2.gz ALBYINXCMZIAEG-UHFFFAOYSA-N 2 0 265.386 0.857 20 30 CCEDRP [NH2+]=C(NCCc1ccccc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178991364 631935308 /nfs/dbraw/zinc/93/53/08/631935308.db2.gz OXQQQXPNOQSXLL-HNNXBMFYSA-N 2 0 287.411 0.133 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000303991570 632503928 /nfs/dbraw/zinc/50/39/28/632503928.db2.gz ZRPCDQMRGNVGBZ-UHFFFAOYSA-N 2 0 256.419 0.834 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000985648029 632607288 /nfs/dbraw/zinc/60/72/88/632607288.db2.gz TWVMUENYGYHEJZ-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681639 633344318 /nfs/dbraw/zinc/34/43/18/633344318.db2.gz FIBBCCLMTWRBBY-CHWSQXEVSA-N 2 0 261.369 0.294 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909392 637105600 /nfs/dbraw/zinc/10/56/00/637105600.db2.gz LEVKPMYNGHPTFO-CYBMUJFWSA-N 2 0 276.388 0.674 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083102379 638791831 /nfs/dbraw/zinc/79/18/31/638791831.db2.gz ZHWZSUOIFCWYIV-CYBMUJFWSA-N 2 0 279.432 0.484 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996615845 638824395 /nfs/dbraw/zinc/82/43/95/638824395.db2.gz RDHVQALOHPJCOW-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]CC=C)CC1 ZINC000996686461 638829144 /nfs/dbraw/zinc/82/91/44/638829144.db2.gz UJXZIFLSSVEZCN-HNNXBMFYSA-N 2 0 275.396 0.851 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998725097 638936634 /nfs/dbraw/zinc/93/66/34/638936634.db2.gz VKTWZLOSNZKCED-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999172100 638964476 /nfs/dbraw/zinc/96/44/76/638964476.db2.gz ZYGSBVNCSHTTCG-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000183687 639049572 /nfs/dbraw/zinc/04/95/72/639049572.db2.gz KORFYUGKRKIUSN-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C[C@@H]1CC(=NNCCCN2CCOCC2)CC[N@@H+]1C ZINC000799486652 640576241 /nfs/dbraw/zinc/57/62/41/640576241.db2.gz JVDXPVYWEXBTJJ-CYBMUJFWSA-N 2 0 268.405 0.768 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015712947 650614600 /nfs/dbraw/zinc/61/46/00/650614600.db2.gz KKBBLUXQGQLWHI-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP OCC[NH+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000819809684 641433668 /nfs/dbraw/zinc/43/36/68/641433668.db2.gz WYDMZRORGJRFFE-BETUJISGSA-N 2 0 279.388 0.291 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000834485632 642578320 /nfs/dbraw/zinc/57/83/20/642578320.db2.gz ZOFASZXZCUPLTE-WXHSDQCUSA-N 2 0 276.315 0.096 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000834493193 642584283 /nfs/dbraw/zinc/58/42/83/642584283.db2.gz BPFLTSKDRWEUMP-FRRDWIJNSA-N 2 0 264.373 0.512 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000841849826 642843519 /nfs/dbraw/zinc/84/35/19/642843519.db2.gz LXNNTKYZHSWSHH-USWWRNFRSA-N 2 0 278.743 0.568 20 30 CCEDRP C[C@H](C#N)OCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707798 643989423 /nfs/dbraw/zinc/98/94/23/643989423.db2.gz KXZQRTJXBBQUSA-TZMCWYRMSA-N 2 0 267.373 0.446 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852792965 643999862 /nfs/dbraw/zinc/99/98/62/643999862.db2.gz KJDBSDNXJXPXIX-JSGCOSHPSA-N 2 0 263.385 0.718 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000852827429 644013935 /nfs/dbraw/zinc/01/39/35/644013935.db2.gz IYQKYEPCDVUZBM-FMKPAKJESA-N 2 0 298.390 0.907 20 30 CCEDRP C[C@@H]1C[C@H](C)N(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852893337 644046967 /nfs/dbraw/zinc/04/69/67/644046967.db2.gz NZESPQWSGLCBRN-VNHYZAJKSA-N 2 0 277.412 0.821 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001018990167 650927543 /nfs/dbraw/zinc/92/75/43/650927543.db2.gz DUDRLKDBEUFYKA-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001019043857 650933199 /nfs/dbraw/zinc/93/31/99/650933199.db2.gz KIMXLVPXZNJAHB-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH2+]CC1 ZINC000876505080 646613132 /nfs/dbraw/zinc/61/31/32/646613132.db2.gz KEVZSGDTADAHCR-AWEZNQCLSA-N 2 0 270.336 0.177 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC[NH3+] ZINC000876504881 646613562 /nfs/dbraw/zinc/61/35/62/646613562.db2.gz AHBXDCIWGMBMFU-CYBMUJFWSA-N 2 0 258.325 0.210 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[C@@H]1[NH3+] ZINC000876532350 646621596 /nfs/dbraw/zinc/62/15/96/646621596.db2.gz FDLNKMSOZRNBJD-XFBWCDHKSA-N 2 0 298.390 0.941 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877385114 646807574 /nfs/dbraw/zinc/80/75/74/646807574.db2.gz BEAZNVRRNVTUQS-SGMGOOAPSA-N 2 0 264.373 0.798 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCCCC1)C2 ZINC000884181674 647661417 /nfs/dbraw/zinc/66/14/17/647661417.db2.gz LVPPWKBVYAKGBK-NPCAHTBFSA-N 2 0 290.411 0.728 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](C[NH3+])C1CCCC1)C2 ZINC000884336570 647711449 /nfs/dbraw/zinc/71/14/49/647711449.db2.gz SGKFRGMAIMUXBJ-IOSBVQAASA-N 2 0 290.411 0.759 20 30 CCEDRP C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H]1C[NH3+] ZINC000884341153 647714024 /nfs/dbraw/zinc/71/40/24/647714024.db2.gz TUIORLCJIXYAKN-DYSQMVFPSA-N 2 0 290.411 0.569 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[NH2+]C1CC1)C2 ZINC000884375970 647722255 /nfs/dbraw/zinc/72/22/55/647722255.db2.gz RGXKIDRWDRRLFS-MQYJIDSJSA-N 2 0 276.384 0.384 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000303874336 649825749 /nfs/dbraw/zinc/82/57/49/649825749.db2.gz HDKCKNVADVPWCA-HUUCEWRRSA-N 2 0 295.475 0.917 20 30 CCEDRP CCCNC(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303865565 649825770 /nfs/dbraw/zinc/82/57/70/649825770.db2.gz BQBOGYQOWZQUFY-LBPRGKRZSA-N 2 0 283.420 0.291 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303898163 649826476 /nfs/dbraw/zinc/82/64/76/649826476.db2.gz VJVPAQHXCKKNBV-KGLIPLIRSA-N 2 0 292.431 0.908 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000303907831 649826829 /nfs/dbraw/zinc/82/68/29/649826829.db2.gz XDAHANFDWDVCRW-QWHCGFSZSA-N 2 0 268.405 0.896 20 30 CCEDRP CC(C)CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303986958 649828048 /nfs/dbraw/zinc/82/80/48/649828048.db2.gz VAIKTPIZCXQFCD-GFCCVEGCSA-N 2 0 255.410 0.183 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCCCC2)CCOCC1 ZINC000304758468 649838262 /nfs/dbraw/zinc/83/82/62/649838262.db2.gz QBQJSSGAPADSDR-UHFFFAOYSA-N 2 0 268.405 0.898 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138117 805584248 /nfs/dbraw/zinc/58/42/48/805584248.db2.gz GONFAIYCDCEMHV-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041677418 790828185 /nfs/dbraw/zinc/82/81/85/790828185.db2.gz BXJHRJBHMLCMEK-DOTOQJQBSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041677420 790829171 /nfs/dbraw/zinc/82/91/71/790829171.db2.gz BXJHRJBHMLCMEK-NVXWUHKLSA-N 2 0 289.423 0.886 20 30 CCEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001266632422 791057404 /nfs/dbraw/zinc/05/74/04/791057404.db2.gz DOPXZBCINRGWPS-MGPQQGTHSA-N 2 0 281.400 0.213 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346559 791097133 /nfs/dbraw/zinc/09/71/33/791097133.db2.gz SJFNOMUHKPSRAA-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001277693333 805963873 /nfs/dbraw/zinc/96/38/73/805963873.db2.gz KEEYOHDFROXUFH-ZDUSSCGKSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)Cn1ccnc1 ZINC001266995552 791428973 /nfs/dbraw/zinc/42/89/73/791428973.db2.gz IPALQJFKOYFMGS-SNVBAGLBSA-N 2 0 256.737 0.730 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267022102 791456276 /nfs/dbraw/zinc/45/62/76/791456276.db2.gz AHOBOZNONWSBAN-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001267109314 791551654 /nfs/dbraw/zinc/55/16/54/791551654.db2.gz GIFRVPINQDNSNG-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001278098907 806666964 /nfs/dbraw/zinc/66/69/64/806666964.db2.gz AFCXZXNIZAGOLD-IJLUTSLNSA-N 2 0 278.356 0.156 20 30 CCEDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001120562319 798865815 /nfs/dbraw/zinc/86/58/15/798865815.db2.gz YRWTWTBZEQCZOB-CYBMUJFWSA-N 2 0 268.405 0.124 20 30 CCEDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001120574943 798873679 /nfs/dbraw/zinc/87/36/79/798873679.db2.gz TYFUOWMHJNMLEW-HNNXBMFYSA-N 2 0 296.459 0.904 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149849215 800303061 /nfs/dbraw/zinc/30/30/61/800303061.db2.gz RPVXJGVQYRIBNM-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149886821 800305866 /nfs/dbraw/zinc/30/58/66/800305866.db2.gz CHARQEODARYLFG-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150546312 800345588 /nfs/dbraw/zinc/34/55/88/800345588.db2.gz CGRIBJZCBMNDBC-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716270 800362471 /nfs/dbraw/zinc/36/24/71/800362471.db2.gz QEMGCYDOFNWXPJ-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151049526 800389260 /nfs/dbraw/zinc/38/92/60/800389260.db2.gz RGVMNLKKKIGIQM-NSHDSACASA-N 2 0 292.408 0.777 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151158560 800404730 /nfs/dbraw/zinc/40/47/30/800404730.db2.gz PJNUZSNEUWHCNJ-CQSZACIVSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152479323 800526769 /nfs/dbraw/zinc/52/67/69/800526769.db2.gz FNQCWHUFEIBCPY-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152474020 800527089 /nfs/dbraw/zinc/52/70/89/800527089.db2.gz YLKHCXFCNCKYHW-CYBMUJFWSA-N 2 0 253.390 0.999 20 30 CCEDRP C[C@@H]1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)CC[NH2+]1 ZINC001156680221 801211557 /nfs/dbraw/zinc/21/15/57/801211557.db2.gz IBGGQAMLKZMEJZ-LLVKDONJSA-N 2 0 271.368 0.787 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001157936860 801532545 /nfs/dbraw/zinc/53/25/45/801532545.db2.gz KUDKTNXWGVIYNZ-HNNXBMFYSA-N 2 0 286.379 0.899 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868825 801884340 /nfs/dbraw/zinc/88/43/40/801884340.db2.gz MNWBURXZSXZLFS-HNNXBMFYSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161043106 802075077 /nfs/dbraw/zinc/07/50/77/802075077.db2.gz XXRMUVVVDVCPLN-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC(NCCC[NH+]1CCN(C)CC1)=[NH+]COC ZINC001161703586 802203982 /nfs/dbraw/zinc/20/39/82/802203982.db2.gz IUYPTMNDLINKJV-UHFFFAOYSA-N 2 0 254.378 0.402 20 30 CCEDRP C[NH+]1CCC(C#N)(Nc2ncnc3c2CC[NH2+]CC3)CC1 ZINC001162226119 802293829 /nfs/dbraw/zinc/29/38/29/802293829.db2.gz WOBMCPCDFRUZNS-UHFFFAOYSA-N 2 0 286.383 0.565 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872469 802431442 /nfs/dbraw/zinc/43/14/42/802431442.db2.gz STZPXIHFRHMGCL-OWYJLGKBSA-N 2 0 279.384 0.132 20 30 CCEDRP C=CC(NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21)=[NH+]COC ZINC001163164487 802499586 /nfs/dbraw/zinc/49/95/86/802499586.db2.gz VUWGNKLKGPTVOC-IJLUTSLNSA-N 2 0 253.346 0.389 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001276422056 803046119 /nfs/dbraw/zinc/04/61/19/803046119.db2.gz OURNEXPORNONLK-LBPRGKRZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001276421599 803046551 /nfs/dbraw/zinc/04/65/51/803046551.db2.gz LOSSJSFEDMYBBM-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207689530 803439002 /nfs/dbraw/zinc/43/90/02/803439002.db2.gz ZYRMFGYHNWSOGA-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001209635876 803619713 /nfs/dbraw/zinc/61/97/13/803619713.db2.gz YUAZJSJPRBRGCM-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211269312 803674742 /nfs/dbraw/zinc/67/47/42/803674742.db2.gz PPBKMNJXLSBODA-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214336087 803734833 /nfs/dbraw/zinc/73/48/33/803734833.db2.gz TYCXXXUSTMMLKA-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461081 803811858 /nfs/dbraw/zinc/81/18/58/803811858.db2.gz QWJXYLFQEHFQGX-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216828400 803857158 /nfs/dbraw/zinc/85/71/58/803857158.db2.gz FUWHMPWRTDSEKD-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218658726 804069441 /nfs/dbraw/zinc/06/94/41/804069441.db2.gz IBWHJFYHYPDRKI-ZDUSSCGKSA-N 2 0 273.340 0.527 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N(O)C(=N)c1ccccc1N ZINC001218966127 804167767 /nfs/dbraw/zinc/16/77/67/804167767.db2.gz PZXIVJUXXAVWNW-LBPRGKRZSA-N 2 0 293.371 0.529 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218979010 804173050 /nfs/dbraw/zinc/17/30/50/804173050.db2.gz GXHYXGWQVWXCSS-JTQLQIEISA-N 2 0 262.313 0.572 20 30 CCEDRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C[NH2+]1 ZINC001219582328 804358645 /nfs/dbraw/zinc/35/86/45/804358645.db2.gz BFTFBGWWUBJIGM-CQDKDKBSSA-N 2 0 286.379 0.685 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])cc1F ZINC001220449520 804607775 /nfs/dbraw/zinc/60/77/75/804607775.db2.gz YCTPEIMSBAJJSF-LBPRGKRZSA-N 2 0 264.304 0.380 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC001220493759 804615031 /nfs/dbraw/zinc/61/50/31/804615031.db2.gz AVDITZMYIQRXOS-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220585051 804632128 /nfs/dbraw/zinc/63/21/28/804632128.db2.gz VBPQEAPSVOOSIH-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221291936 804766004 /nfs/dbraw/zinc/76/60/04/804766004.db2.gz AJYHBWNVTCVBOQ-DZGCQCFKSA-N 2 0 295.431 0.181 20 30 CCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272171820 815036800 /nfs/dbraw/zinc/03/68/00/815036800.db2.gz FXALSLGAFBESTQ-CQSZACIVSA-N 2 0 283.416 0.531 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950511 804854192 /nfs/dbraw/zinc/85/41/92/804854192.db2.gz LMCZOHYGUMXAAY-HUUCEWRRSA-N 2 0 293.411 0.121 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947196 804855114 /nfs/dbraw/zinc/85/51/14/804855114.db2.gz XCJPAYYAVSHHMO-HUUCEWRRSA-N 2 0 295.427 0.673 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227796817 805391385 /nfs/dbraw/zinc/39/13/85/805391385.db2.gz BBPWRWQXBFLORC-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001228888698 805487081 /nfs/dbraw/zinc/48/70/81/805487081.db2.gz JPSSISZGKDYIJJ-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008531 805497350 /nfs/dbraw/zinc/49/73/50/805497350.db2.gz PLVVCNJBARJSNM-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C=C[C@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246046009 807132345 /nfs/dbraw/zinc/13/23/45/807132345.db2.gz MLRHBHVHTMZCFC-VHDGCEQUSA-N 2 0 282.384 0.398 20 30 CCEDRP C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001246315510 807219696 /nfs/dbraw/zinc/21/96/96/807219696.db2.gz MJYVUDFKMXAFSR-SKDRFNHKSA-N 2 0 260.341 0.631 20 30 CCEDRP N#CCC1CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246821943 807394812 /nfs/dbraw/zinc/39/48/12/807394812.db2.gz PMZVUMRQFPNEHU-UHFFFAOYSA-N 2 0 293.459 0.543 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001251852046 807721377 /nfs/dbraw/zinc/72/13/77/807721377.db2.gz YVRVFTXLMBWNGJ-AWEZNQCLSA-N 2 0 266.385 0.415 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001251884954 807733254 /nfs/dbraw/zinc/73/32/54/807733254.db2.gz KTGNLJMYTWMHDH-AWEZNQCLSA-N 2 0 254.374 0.319 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001278666893 807864505 /nfs/dbraw/zinc/86/45/05/807864505.db2.gz IRDPKTPUXMBCOZ-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C[C@](C)(O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252549255 807905991 /nfs/dbraw/zinc/90/59/91/807905991.db2.gz DEQCOZRYHYHKBV-HNNXBMFYSA-N 2 0 267.417 0.635 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252576600 807913214 /nfs/dbraw/zinc/91/32/14/807913214.db2.gz MRWCUHUITNAYCG-CQSZACIVSA-N 2 0 255.406 0.539 20 30 CCEDRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254642482 808268945 /nfs/dbraw/zinc/26/89/45/808268945.db2.gz HXWWPSNKZKAGKJ-UONOGXRCSA-N 2 0 250.390 0.906 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CCN([C@H]2CC[N@@H+](C)C2)CC1 ZINC001255441673 808371182 /nfs/dbraw/zinc/37/11/82/808371182.db2.gz QJUJCGWYQQNAIN-KRWDZBQOSA-N 2 0 292.471 0.982 20 30 CCEDRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001263253971 809497053 /nfs/dbraw/zinc/49/70/53/809497053.db2.gz YDJRABWABXHUMG-QWHCGFSZSA-N 2 0 282.388 0.235 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001264423458 809655878 /nfs/dbraw/zinc/65/58/78/809655878.db2.gz WSNHIZFLWUWJBB-MGPQQGTHSA-N 2 0 283.391 0.784 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265036524 809696459 /nfs/dbraw/zinc/69/64/59/809696459.db2.gz GIWDCYQUPZQWHE-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265554380 809803198 /nfs/dbraw/zinc/80/31/98/809803198.db2.gz QFOXANHQZNEJGE-BETUJISGSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265912657 809891966 /nfs/dbraw/zinc/89/19/66/809891966.db2.gz ISJYFBCFKKFNAI-GJZGRUSLSA-N 2 0 297.443 0.966 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266143630 809946900 /nfs/dbraw/zinc/94/69/00/809946900.db2.gz HYBHTYUFCVCAMW-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279437562 809978377 /nfs/dbraw/zinc/97/83/77/809978377.db2.gz WDMQYCOQHUXGNA-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076987244 815429733 /nfs/dbraw/zinc/42/97/33/815429733.db2.gz IDWUCSSOZSERTG-QLFBSQMISA-N 2 0 295.427 0.597 20 30 CCEDRP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001267712914 811674232 /nfs/dbraw/zinc/67/42/32/811674232.db2.gz YEHSWNFQZNLXCF-STQMWFEESA-N 2 0 251.374 0.799 20 30 CCEDRP C=CCN1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001268029647 812026210 /nfs/dbraw/zinc/02/62/10/812026210.db2.gz WVSLNVDDJQYTBD-ZDUSSCGKSA-N 2 0 267.373 0.085 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268099737 812258865 /nfs/dbraw/zinc/25/88/65/812258865.db2.gz HPCSDQKTUPMAPP-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268399493 812545068 /nfs/dbraw/zinc/54/50/68/812545068.db2.gz HRVRAXNQVPJJQL-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268541688 812783699 /nfs/dbraw/zinc/78/36/99/812783699.db2.gz HLYNJNLBRRXWFN-DPOFCPOHSA-N 2 0 293.411 0.238 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268674648 812995426 /nfs/dbraw/zinc/99/54/26/812995426.db2.gz RAYOQVQJJAMPGG-OLZOCXBDSA-N 2 0 269.389 0.235 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001268735083 813048795 /nfs/dbraw/zinc/04/87/95/813048795.db2.gz DQDPVBWTIDAHHY-KBPBESRZSA-N 2 0 288.395 0.905 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001268747982 813063161 /nfs/dbraw/zinc/06/31/61/813063161.db2.gz WNYMNTGAMJUOQZ-ZDUSSCGKSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC#CC)CC1 ZINC001268758712 813069089 /nfs/dbraw/zinc/06/90/89/813069089.db2.gz FGZJNGUDOKAKQM-OAHLLOKOSA-N 2 0 289.423 0.791 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268760434 813070989 /nfs/dbraw/zinc/07/09/89/813070989.db2.gz UWQKWRHWZOJTSQ-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001268760121 813071107 /nfs/dbraw/zinc/07/11/07/813071107.db2.gz RXDQWFMMABNNEK-HNNXBMFYSA-N 2 0 289.423 0.791 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001269343444 813333602 /nfs/dbraw/zinc/33/36/02/813333602.db2.gz LPWANLFXMGOLKF-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001269544577 813410369 /nfs/dbraw/zinc/41/03/69/813410369.db2.gz KTUXZVWBQSQKEE-CQSZACIVSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758354 813446251 /nfs/dbraw/zinc/44/62/51/813446251.db2.gz QWLVATUQNJRPLS-GJZGRUSLSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776256 813486094 /nfs/dbraw/zinc/48/60/94/813486094.db2.gz JTJXYGVLLMERGJ-CYBMUJFWSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001270260777 813702224 /nfs/dbraw/zinc/70/22/24/813702224.db2.gz HAZPKYWPZAEEPN-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028983565 813720734 /nfs/dbraw/zinc/72/07/34/813720734.db2.gz CZAYKQYBRJCWST-KBPBESRZSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270509398 813791713 /nfs/dbraw/zinc/79/17/13/813791713.db2.gz XOTKKFNGEFITLU-CHWSQXEVSA-N 2 0 253.390 0.548 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001270789406 813929615 /nfs/dbraw/zinc/92/96/15/813929615.db2.gz UWWHPLXJWAWUHJ-MRXNPFEDSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199167 814443508 /nfs/dbraw/zinc/44/35/08/814443508.db2.gz DKIIYWKORYRISL-KFWWJZLASA-N 2 0 277.412 0.904 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127077280 815638295 /nfs/dbraw/zinc/63/82/95/815638295.db2.gz BILJSLAUFMFONJ-CQSZACIVSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148712 816580514 /nfs/dbraw/zinc/58/05/14/816580514.db2.gz YINZOUPNGIHLDQ-KBUPBQIOSA-N 2 0 277.412 0.644 20 30 CCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001046567808 816635977 /nfs/dbraw/zinc/63/59/77/816635977.db2.gz LEAXNSFPOSIRTI-ZBFHGGJFSA-N 2 0 295.427 0.862 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001272583508 816663675 /nfs/dbraw/zinc/66/36/75/816663675.db2.gz IEGSSSLPSBKKNI-HUUCEWRRSA-N 2 0 295.427 0.197 20 30 CCEDRP C[N@H+](CCOCC[NH3+])C[C@@H](O)c1ccc(C#N)cc1 ZINC000699456132 816729987 /nfs/dbraw/zinc/72/99/87/816729987.db2.gz ZOXUUVJMVCHQPC-CQSZACIVSA-N 2 0 263.341 0.499 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031674779 817237441 /nfs/dbraw/zinc/23/74/41/817237441.db2.gz PDYAGLUGTUVRQE-OAHLLOKOSA-N 2 0 277.412 0.952 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638192 817408897 /nfs/dbraw/zinc/40/88/97/817408897.db2.gz GMALCWVUKHEJLU-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001124872963 817607223 /nfs/dbraw/zinc/60/72/23/817607223.db2.gz PXQJHXLFUNRNNA-OAHLLOKOSA-N 2 0 286.379 0.858 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC)C2)CC1 ZINC001032207654 817703563 /nfs/dbraw/zinc/70/35/63/817703563.db2.gz WYYWESTWCZUJDA-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032960617 818389264 /nfs/dbraw/zinc/38/92/64/818389264.db2.gz XVWLAKPNTLJJCH-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082582 818499714 /nfs/dbraw/zinc/49/97/14/818499714.db2.gz SAZKBDDUPRCOPH-LSDHHAIUSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091140 818506888 /nfs/dbraw/zinc/50/68/88/818506888.db2.gz HNOYBBMDDUYJEH-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095505 818512261 /nfs/dbraw/zinc/51/22/61/818512261.db2.gz YSFYUWXLYWJTPU-MGPQQGTHSA-N 2 0 263.385 0.493 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033596283 818842552 /nfs/dbraw/zinc/84/25/52/818842552.db2.gz XMKBILYYWFPAOM-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042808 819041896 /nfs/dbraw/zinc/04/18/96/819041896.db2.gz PYZXLPPLCQNPEQ-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525236 819229198 /nfs/dbraw/zinc/22/91/98/819229198.db2.gz KPMORJYWQRQCEL-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001034616907 819262477 /nfs/dbraw/zinc/26/24/77/819262477.db2.gz FSLHGSNVMVPEHI-KKUMJFAQSA-N 2 0 295.427 0.910 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034779392 819329018 /nfs/dbraw/zinc/32/90/18/819329018.db2.gz STXOZUCINPZXNR-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2OC)CC1 ZINC001082382966 820954668 /nfs/dbraw/zinc/95/46/68/820954668.db2.gz CFBXKVAAUPVTIR-HUUCEWRRSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166686645 821288856 /nfs/dbraw/zinc/28/88/56/821288856.db2.gz AFXVSTGYEWVOAX-OAHLLOKOSA-N 2 0 283.391 0.928 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086089570 822108832 /nfs/dbraw/zinc/10/88/32/822108832.db2.gz GDHYEOBRBQQHJI-LJISPDSOSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086456492 822265850 /nfs/dbraw/zinc/26/58/50/822265850.db2.gz JICKKQWVTRCXKD-RBSFLKMASA-N 2 0 293.411 0.213 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114042252 837414708 /nfs/dbraw/zinc/41/47/08/837414708.db2.gz YWHFMOJWNFSCGZ-BARDWOONSA-N 2 0 293.411 0.330 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129410470 837500946 /nfs/dbraw/zinc/50/09/46/837500946.db2.gz MVEILILDXQCPRQ-CYBMUJFWSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950522 837591565 /nfs/dbraw/zinc/59/15/65/837591565.db2.gz VVVGXNQSJQOFKC-ZDUSSCGKSA-N 2 0 271.405 0.481 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130478011 837801658 /nfs/dbraw/zinc/80/16/58/837801658.db2.gz QNQSOIIVSKKCAM-GFCCVEGCSA-N 2 0 260.341 0.175 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825243 844789845 /nfs/dbraw/zinc/78/98/45/844789845.db2.gz HDUCHGXTJWIKJY-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669076 836712072 /nfs/dbraw/zinc/71/20/72/836712072.db2.gz MULZIBHDGDVGFQ-AGIUHOORSA-N 2 0 251.374 0.846 20 30 CCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462272 836945149 /nfs/dbraw/zinc/94/51/49/836945149.db2.gz LTYKGPFMGLYBBO-UHFFFAOYSA-N 2 0 295.427 0.247 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710764 837898874 /nfs/dbraw/zinc/89/88/74/837898874.db2.gz DBPCYFNZDBWQDU-CYBMUJFWSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)CC[C@H]1C ZINC001132221350 838340638 /nfs/dbraw/zinc/34/06/38/838340638.db2.gz GGLAIKRTWSJQLO-KGLIPLIRSA-N 2 0 274.368 0.876 20 30 CCEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273496033 844324018 /nfs/dbraw/zinc/32/40/18/844324018.db2.gz RMZCPGWTJIDSJZ-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132522231 838425859 /nfs/dbraw/zinc/42/58/59/838425859.db2.gz NFIACQIKDXISHU-KGLIPLIRSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848328 838505636 /nfs/dbraw/zinc/50/56/36/838505636.db2.gz FBSOGBYYOGPOLV-AWEZNQCLSA-N 2 0 299.415 0.004 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848604 838505806 /nfs/dbraw/zinc/50/58/06/838505806.db2.gz MLXXABYMVRVVEA-CQSZACIVSA-N 2 0 283.416 0.768 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992558 838531946 /nfs/dbraw/zinc/53/19/46/838531946.db2.gz BUZFNPTVPVZHRG-UHFFFAOYSA-N 2 0 259.781 0.787 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133294481 838591298 /nfs/dbraw/zinc/59/12/98/838591298.db2.gz KJKAYWFWMOFJRA-UHFFFAOYSA-N 2 0 274.368 0.716 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133845890 838745872 /nfs/dbraw/zinc/74/58/72/838745872.db2.gz PMHYOEIYPZVSRC-CYBMUJFWSA-N 2 0 269.389 0.237 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134763298 839065227 /nfs/dbraw/zinc/06/52/27/839065227.db2.gz UFWPZPZVZCKGTK-HNNXBMFYSA-N 2 0 295.427 0.605 20 30 CCEDRP N#Cc1ncc(N[C@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900169 839548201 /nfs/dbraw/zinc/54/82/01/839548201.db2.gz POBOBPYJSJAXCC-JTQLQIEISA-N 2 0 250.262 0.297 20 30 CCEDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171184638 840052839 /nfs/dbraw/zinc/05/28/39/840052839.db2.gz NRMOTJUWNHDVEF-RISCZKNCSA-N 2 0 275.352 0.827 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834464 840694665 /nfs/dbraw/zinc/69/46/65/840694665.db2.gz JJLJNCAFTMYNEN-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092023281 840986997 /nfs/dbraw/zinc/98/69/97/840986997.db2.gz WONGPFMQCPWVGH-YCPHGPKFSA-N 2 0 277.412 0.740 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC#CC)CC1 ZINC001176926673 842453228 /nfs/dbraw/zinc/45/32/28/842453228.db2.gz SJPSUJBWEDAWOZ-UHFFFAOYSA-N 2 0 275.396 0.451 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)[C@H]1C ZINC001179149696 842967512 /nfs/dbraw/zinc/96/75/12/842967512.db2.gz BSTRNDUTRZNGED-KBPBESRZSA-N 2 0 274.368 0.794 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481944 843006382 /nfs/dbraw/zinc/00/63/82/843006382.db2.gz MROLBVVLRXTIDO-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068726 843102595 /nfs/dbraw/zinc/10/25/95/843102595.db2.gz MKAOEKLCVNPMPW-UHFFFAOYSA-N 2 0 277.412 0.982 20 30 CCEDRP CC#CC[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060468 843102629 /nfs/dbraw/zinc/10/26/29/843102629.db2.gz CPRZAZHGTSQUNN-UHFFFAOYSA-N 2 0 297.443 0.854 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189478039 845139758 /nfs/dbraw/zinc/13/97/58/845139758.db2.gz OVVJWFHYLPMAHB-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901175 845525116 /nfs/dbraw/zinc/52/51/16/845525116.db2.gz VOUTZQQVCGGTCQ-UONOGXRCSA-N 2 0 265.401 0.883 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192161000 845794858 /nfs/dbraw/zinc/79/48/58/845794858.db2.gz GAWPKEXFUZEIAP-CQSZACIVSA-N 2 0 281.400 0.121 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192957452 845935127 /nfs/dbraw/zinc/93/51/27/845935127.db2.gz BZOZRVSTEJJPQW-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193902811 846179949 /nfs/dbraw/zinc/17/99/49/846179949.db2.gz YCTSMZGFBIWTHY-RBSFLKMASA-N 2 0 293.411 0.045 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194009450 846195186 /nfs/dbraw/zinc/19/51/86/846195186.db2.gz DFEGNWSITHDBQT-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700407 846606693 /nfs/dbraw/zinc/60/66/93/846606693.db2.gz FAUYXEXSCFTOKP-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196221897 846707579 /nfs/dbraw/zinc/70/75/79/846707579.db2.gz CBOGOBXVJGLZDV-ZIAGYGMSSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203924670 847204262 /nfs/dbraw/zinc/20/42/62/847204262.db2.gz FUNXZGSSZKPEQA-UHFFFAOYSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788466 847433529 /nfs/dbraw/zinc/43/35/29/847433529.db2.gz QWVNUPWIFBRQBN-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273881155 847723686 /nfs/dbraw/zinc/72/36/86/847723686.db2.gz KDXMHNQJQJPHGL-UONOGXRCSA-N 2 0 295.427 0.313 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059930 847851646 /nfs/dbraw/zinc/85/16/46/847851646.db2.gz SWIQWXJCDVTNQR-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504173 848002817 /nfs/dbraw/zinc/00/28/17/848002817.db2.gz RAQYWLGSULBSFM-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114464457 848074885 /nfs/dbraw/zinc/07/48/85/848074885.db2.gz UQEUXXOCNLGOCH-RQJABVFESA-N 2 0 265.401 0.949 20 30 CCEDRP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275144248 848650410 /nfs/dbraw/zinc/65/04/10/848650410.db2.gz WJNUNALWCKLOIV-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001275174856 848658215 /nfs/dbraw/zinc/65/82/15/848658215.db2.gz AQCILCUUKQEEAQ-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001275459342 848726720 /nfs/dbraw/zinc/72/67/20/848726720.db2.gz OPLOCKGUBLFFOT-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001275707557 848796581 /nfs/dbraw/zinc/79/65/81/848796581.db2.gz WGEPOYKZGFGYQH-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC ZINC001276052120 848911322 /nfs/dbraw/zinc/91/13/22/848911322.db2.gz HDTMGFYWIJOSNK-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111280055 849149286 /nfs/dbraw/zinc/14/92/86/849149286.db2.gz MLMVWLCDVWNGJI-KFWWJZLASA-N 2 0 293.411 0.309 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000380700090 849684270 /nfs/dbraw/zinc/68/42/70/849684270.db2.gz GSACNQQEAUGGGO-UONOGXRCSA-N 2 0 278.400 0.632 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356913 850436695 /nfs/dbraw/zinc/43/66/95/850436695.db2.gz DEAQIUITHBJZMF-RDJZCZTQSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041831674 850510521 /nfs/dbraw/zinc/51/05/21/850510521.db2.gz PDWVZCPMPKETKL-RDJZCZTQSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042356907 850619626 /nfs/dbraw/zinc/61/96/26/850619626.db2.gz JLVYKNPFCPATEW-CABCVRRESA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044858475 851170400 /nfs/dbraw/zinc/17/04/00/851170400.db2.gz SHNYPUVHLHALBP-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045557176 851280096 /nfs/dbraw/zinc/28/00/96/851280096.db2.gz XGMMPSLQZSYZOS-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046331225 851469929 /nfs/dbraw/zinc/46/99/29/851469929.db2.gz HFSTVRGMFFFKLM-UMVBOHGHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863786 852086613 /nfs/dbraw/zinc/08/66/13/852086613.db2.gz LDNWQINUWFQMSR-XHSDSOJGSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049057175 852149542 /nfs/dbraw/zinc/14/95/42/852149542.db2.gz BBNNLCXARGGOTM-HRCADAONSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059758 852152638 /nfs/dbraw/zinc/15/26/38/852152638.db2.gz FWQDFHWGICPXQV-KBXIAJHMSA-N 2 0 277.412 0.760 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901406 852393199 /nfs/dbraw/zinc/39/31/99/852393199.db2.gz PCDCMKQYGIWFSD-GJZGRUSLSA-N 2 0 275.396 0.781 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052933699 852674101 /nfs/dbraw/zinc/67/41/01/852674101.db2.gz CVHHWWJIGVBYCZ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072983287 854508955 /nfs/dbraw/zinc/50/89/55/854508955.db2.gz QOFHQSIYKBLARI-KGLIPLIRSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129769 854535902 /nfs/dbraw/zinc/53/59/02/854535902.db2.gz DSLPGDZQPMRCNV-UHFFFAOYSA-N 2 0 273.380 0.250 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431336 854558361 /nfs/dbraw/zinc/55/83/61/854558361.db2.gz WVQSKNQPPZZBAC-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890544 854659270 /nfs/dbraw/zinc/65/92/70/854659270.db2.gz GBVYLCJAWMPBQM-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874348 855013537 /nfs/dbraw/zinc/01/35/37/855013537.db2.gz JWJMBNOOPJSUJQ-KBPBESRZSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973977 855057962 /nfs/dbraw/zinc/05/79/62/855057962.db2.gz LVYXDCDINJGAQQ-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617118 855198647 /nfs/dbraw/zinc/19/86/47/855198647.db2.gz DJJOWQDISMAUCX-UHFFFAOYSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620043 855198990 /nfs/dbraw/zinc/19/89/90/855198990.db2.gz TURBJVFKBOADIS-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037132 855257185 /nfs/dbraw/zinc/25/71/85/855257185.db2.gz APOVKUOQNIIMNA-UHFFFAOYSA-N 2 0 251.374 0.444 20 30 CCEDRP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369852 855432052 /nfs/dbraw/zinc/43/20/52/855432052.db2.gz IOWKJHCOPIYYMK-RRFJBIMHSA-N 2 0 277.412 0.646 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641774 855524993 /nfs/dbraw/zinc/52/49/93/855524993.db2.gz CRPRDZSVHNMFOP-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081815 855640282 /nfs/dbraw/zinc/64/02/82/855640282.db2.gz YQTFRBAGLPBERN-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115146291 855645824 /nfs/dbraw/zinc/64/58/24/855645824.db2.gz XWQAQNLKJZBGQP-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144314 855645835 /nfs/dbraw/zinc/64/58/35/855645835.db2.gz UZNOEBNDSABQKA-FOLVSLTJSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298696 855659209 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C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483340099 895480391 /nfs/dbraw/zinc/48/03/91/895480391.db2.gz XEVNVOVZWDGIMX-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001483572161 895655432 /nfs/dbraw/zinc/65/54/32/895655432.db2.gz VHJCMORZTHXBMC-ZIAGYGMSSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483598988 895672457 /nfs/dbraw/zinc/67/24/57/895672457.db2.gz PAMJHKBTVLRDFS-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484081821 896184137 /nfs/dbraw/zinc/18/41/37/896184137.db2.gz BNHMRYJROGPLDL-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484126091 896202568 /nfs/dbraw/zinc/20/25/68/896202568.db2.gz TUSQKPKPBKHHPZ-DZGCQCFKSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001484473393 896422792 /nfs/dbraw/zinc/42/27/92/896422792.db2.gz SRSSECJFGJRUQX-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001484698609 896545495 /nfs/dbraw/zinc/54/54/95/896545495.db2.gz BBHDFIQQRVNOFE-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484906206 896662684 /nfs/dbraw/zinc/66/26/84/896662684.db2.gz KBXFOFCCMJVPSR-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001485650621 897159608 /nfs/dbraw/zinc/15/96/08/897159608.db2.gz XXSLOVZYNKTOSN-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001272888250 898120945 /nfs/dbraw/zinc/12/09/45/898120945.db2.gz SQVLVJSBAFALNX-UHFFFAOYSA-N 2 0 293.411 0.427 20 30 CCEDRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001326843630 914227294 /nfs/dbraw/zinc/22/72/94/914227294.db2.gz QYPMGIWOBPSDDZ-DGCLKSJQSA-N 2 0 252.362 0.595 20 30 CCEDRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001326843631 914227734 /nfs/dbraw/zinc/22/77/34/914227734.db2.gz QYPMGIWOBPSDDZ-WCQYABFASA-N 2 0 252.362 0.595 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001486311217 898785007 /nfs/dbraw/zinc/78/50/07/898785007.db2.gz GECMEDGCPFVPDD-KGLIPLIRSA-N 2 0 283.416 0.005 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001327130196 914391272 /nfs/dbraw/zinc/39/12/72/914391272.db2.gz FKSUWYRVWVAHGQ-NEPJUHHUSA-N 2 0 252.362 0.513 20 30 CCEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001327290195 914465218 /nfs/dbraw/zinc/46/52/18/914465218.db2.gz ATMFUJMXNXPQIH-OAHLLOKOSA-N 2 0 297.443 0.921 20 30 CCEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490598073 900670978 /nfs/dbraw/zinc/67/09/78/900670978.db2.gz FITVEMZTHPNWQP-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280660427 900875175 /nfs/dbraw/zinc/87/51/75/900875175.db2.gz XZNONNFDCPFYAH-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001327580404 914634278 /nfs/dbraw/zinc/63/42/78/914634278.db2.gz HWMBZHKUBVDNLH-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282493173 904492348 /nfs/dbraw/zinc/49/23/48/904492348.db2.gz BCRNAIMGMZCZAK-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001332647460 904550011 /nfs/dbraw/zinc/55/00/11/904550011.db2.gz KTINQYYDNUWFBC-SOUVJXGZSA-N 2 0 297.443 0.654 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284459725 905303388 /nfs/dbraw/zinc/30/33/88/905303388.db2.gz JPCSJHXEIYTIJQ-HNNXBMFYSA-N 2 0 297.443 0.703 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491850677 907605807 /nfs/dbraw/zinc/60/58/07/907605807.db2.gz WOCYJLAUTFEBKG-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(C)C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001492389308 907893662 /nfs/dbraw/zinc/89/36/62/907893662.db2.gz OERZIPNCIBBBNB-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317057942 908945460 /nfs/dbraw/zinc/94/54/60/908945460.db2.gz OEYCSVNSRUMWBD-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317091040 908972306 /nfs/dbraw/zinc/97/23/06/908972306.db2.gz IQQBIJCRCDXJCQ-KKUMJFAQSA-N 2 0 295.427 0.459 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317136065 909005414 /nfs/dbraw/zinc/00/54/14/909005414.db2.gz XLXJEWOFZGIRMB-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317392936 909169691 /nfs/dbraw/zinc/16/96/91/909169691.db2.gz KLXRNMYMZVHKFJ-JHJVBQTASA-N 2 0 253.390 0.997 20 30 CCEDRP C=CCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317460395 909236120 /nfs/dbraw/zinc/23/61/20/909236120.db2.gz ZCFMUHHGJANWFL-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP CC[C@@H](C(=O)N(C)CC[NH2+]CC#CCOC)[NH+](C)C ZINC001317628260 909423843 /nfs/dbraw/zinc/42/38/43/909423843.db2.gz JGVBDKBVLJKTRQ-ZDUSSCGKSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001318594853 909831454 /nfs/dbraw/zinc/83/14/54/909831454.db2.gz KYVLNJWTTRYCQD-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319561119 910205312 /nfs/dbraw/zinc/20/53/12/910205312.db2.gz TUROKVLEADJBSI-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320269931 910567291 /nfs/dbraw/zinc/56/72/91/910567291.db2.gz DPPPFZWOIXQJLF-UKRRQHHQSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001323023557 912077048 /nfs/dbraw/zinc/07/70/48/912077048.db2.gz WWGCOYXFPQFJIO-HNNXBMFYSA-N 2 0 289.423 0.980 20 30 CCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001328520897 915248104 /nfs/dbraw/zinc/24/81/04/915248104.db2.gz YIZMTRNFTCKMTK-CYBMUJFWSA-N 2 0 281.400 0.210 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001329105645 915675646 /nfs/dbraw/zinc/67/56/46/915675646.db2.gz ASSRESMQSMVHEA-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001330432930 916627251 /nfs/dbraw/zinc/62/72/51/916627251.db2.gz YRXBFKDPWVHQLO-HIFRSBDPSA-N 2 0 295.427 0.720 20 30 CCEDRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001330593195 916726059 /nfs/dbraw/zinc/72/60/59/916726059.db2.gz ZLTVVULUKMASQD-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332621689 918320147 /nfs/dbraw/zinc/32/01/47/918320147.db2.gz VLIUBIPWHQBTFP-HUUCEWRRSA-N 2 0 297.443 0.798 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001406261276 919142597 /nfs/dbraw/zinc/14/25/97/919142597.db2.gz VCPOBTJIIJMPLR-VXGBXAGGSA-N 2 0 291.823 0.392 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@H]21 ZINC001335790072 920435922 /nfs/dbraw/zinc/43/59/22/920435922.db2.gz ZXRFVCSDTRLXRT-FRRDWIJNSA-N 2 0 264.373 0.560 20 30 CCEDRP CN(C[C@@H](O)C[NH2+]CC#CC[NH+](C)C)C(=O)OC(C)(C)C ZINC001336784398 921008281 /nfs/dbraw/zinc/00/82/81/921008281.db2.gz PTHHCUVUSMYXGB-ZDUSSCGKSA-N 2 0 299.415 0.369 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001339772251 921821468 /nfs/dbraw/zinc/82/14/68/921821468.db2.gz LORJGALRDZCFFS-AWEZNQCLSA-N 2 0 292.427 0.725 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001340908221 922270686 /nfs/dbraw/zinc/27/06/86/922270686.db2.gz RGWDVBDQCNVGSY-NTZNESFSSA-N 2 0 252.362 0.225 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001341677070 922624110 /nfs/dbraw/zinc/62/41/10/922624110.db2.gz JFNSSTYZOHNCNW-MJBXVCDLSA-N 2 0 281.400 0.649 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001342082796 922797057 /nfs/dbraw/zinc/79/70/57/922797057.db2.gz QWSXGTGFDPHQHF-STQMWFEESA-N 2 0 266.389 0.904 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2C[NH2+]CC2(C)C)CCC[NH2+]1 ZINC001342110812 922808187 /nfs/dbraw/zinc/80/81/87/922808187.db2.gz HJSCMZZYEJFPJS-FZMZJTMJSA-N 2 0 251.374 0.799 20 30 CCEDRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001342112471 922809895 /nfs/dbraw/zinc/80/98/95/922809895.db2.gz RIEJJHOYNNAVKQ-QWRGUYRKSA-N 2 0 252.362 0.512 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345716195 923954010 /nfs/dbraw/zinc/95/40/10/923954010.db2.gz SLSXZKIGVBNPJO-ZFWWWQNUSA-N 2 0 261.369 0.248 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2ccccn2)CC1 ZINC001353535085 925864827 /nfs/dbraw/zinc/86/48/27/925864827.db2.gz NBSTWPAIFYVJGG-OAHLLOKOSA-N 2 0 288.395 0.718 20 30 CCEDRP N#CC1(C[C@H](O)C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000600714982 362043668 /nfs/dbraw/zinc/04/36/68/362043668.db2.gz DBKBMUPGQGQDMS-AWEZNQCLSA-N 2 0 281.400 0.743 20 30 CCEDRP C[C@H](C[NH2+]Cc1cccc(C#N)n1)CN1CC[NH+](C)CC1 ZINC000602538236 362665387 /nfs/dbraw/zinc/66/53/87/362665387.db2.gz BHWNLMDGYDARNH-CQSZACIVSA-N 2 0 287.411 0.926 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CCOC)CC1 ZINC000068080480 348797132 /nfs/dbraw/zinc/79/71/32/348797132.db2.gz XDYYCDCHTBGTFC-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000491474141 358294705 /nfs/dbraw/zinc/29/47/05/358294705.db2.gz KHVUHJABENKOFF-UHFFFAOYSA-N 2 0 266.389 0.335 20 30 CCEDRP N#Cc1ccccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000591450051 359594625 /nfs/dbraw/zinc/59/46/25/359594625.db2.gz GUBMRMDCTNBQGK-UHFFFAOYSA-N 2 0 296.396 0.247 20 30 CCEDRP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000611266461 363699898 /nfs/dbraw/zinc/69/98/98/363699898.db2.gz YJKNOMPHPAODRW-CABCVRRESA-N 2 0 267.417 0.635 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438329 360307005 /nfs/dbraw/zinc/30/70/05/360307005.db2.gz OCJPHOQMJMLMLV-CHWSQXEVSA-N 2 0 266.389 0.950 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594439666 360308470 /nfs/dbraw/zinc/30/84/70/360308470.db2.gz YKADELNMPGKJQY-WCQYABFASA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444259 360311157 /nfs/dbraw/zinc/31/11/57/360311157.db2.gz NMHMBIXNFVAJPW-FDYHWXHSSA-N 2 0 266.389 0.900 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000594444366 360311487 /nfs/dbraw/zinc/31/14/87/360311487.db2.gz PWOOBBVNQMIKDG-IUCAKERBSA-N 2 0 262.304 0.496 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000594444367 360311638 /nfs/dbraw/zinc/31/16/38/360311638.db2.gz PWOOBBVNQMIKDG-RKDXNWHRSA-N 2 0 262.304 0.496 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]2C1 ZINC000594443585 360312059 /nfs/dbraw/zinc/31/20/59/360312059.db2.gz RWSQDSKTKUWHJD-HZSPNIEDSA-N 2 0 278.400 0.950 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@@H]1C[NH3+] ZINC000594450288 360315079 /nfs/dbraw/zinc/31/50/79/360315079.db2.gz WSPLOVYWXQGVQQ-FRRDWIJNSA-N 2 0 266.389 0.841 20 30 CCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594457188 360318560 /nfs/dbraw/zinc/31/85/60/360318560.db2.gz VTEVKBMNSFTAEM-MNOVXSKESA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000594464466 360320348 /nfs/dbraw/zinc/32/03/48/360320348.db2.gz OPBFDZPVPRMEIX-ZDUSSCGKSA-N 2 0 275.356 0.443 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595944563 360722732 /nfs/dbraw/zinc/72/27/32/360722732.db2.gz NPDXJYIMMUMRSL-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598599926 361454800 /nfs/dbraw/zinc/45/48/00/361454800.db2.gz SGQCKJOLAWICFR-HNNXBMFYSA-N 2 0 296.459 0.856 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000636741282 373735700 /nfs/dbraw/zinc/73/57/00/373735700.db2.gz UNPWJVMJRZWHQC-AWEZNQCLSA-N 2 0 296.415 0.003 20 30 CCEDRP C#CCSCCNC(=[NH+]C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000128787940 389178156 /nfs/dbraw/zinc/17/81/56/389178156.db2.gz QMVZVFCFDBJGEG-CQSZACIVSA-N 2 0 292.452 0.874 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+](C)CC2CCOCC2)CC1 ZINC000155787551 389321470 /nfs/dbraw/zinc/32/14/70/389321470.db2.gz FNTLAVCLJQBWFK-UHFFFAOYSA-N 2 0 293.411 0.122 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150802613 389274483 /nfs/dbraw/zinc/27/44/83/389274483.db2.gz FMZWHFWXQLREOU-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261995952 389279580 /nfs/dbraw/zinc/27/95/80/389279580.db2.gz SITGTHYLYJYCSU-QWHCGFSZSA-N 2 0 292.431 0.814 20 30 CCEDRP [NH2+]=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccccn1 ZINC000170913131 389468764 /nfs/dbraw/zinc/46/87/64/389468764.db2.gz YOEMTBLJMYRETC-LBPRGKRZSA-N 2 0 277.372 0.655 20 30 CCEDRP CC[NH+]1CCN(CC#CCN2CC[NH+](CC)CC2)CC1 ZINC000351618362 389637161 /nfs/dbraw/zinc/63/71/61/389637161.db2.gz IQSVKTIWVOROQK-UHFFFAOYSA-N 2 0 278.444 0.265 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000430558111 389807279 /nfs/dbraw/zinc/80/72/79/389807279.db2.gz YCINXGZDYJAOJS-LBPRGKRZSA-N 2 0 296.415 0.708 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060136 389872746 /nfs/dbraw/zinc/87/27/46/389872746.db2.gz OFIPKUFDPXOSAA-NWDGAFQWSA-N 2 0 282.388 0.448 20 30 CCEDRP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442788863 389863076 /nfs/dbraw/zinc/86/30/76/389863076.db2.gz JFCAODXAZKDIRX-MCIONIFRSA-N 2 0 250.390 0.904 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)CC1 ZINC000491524683 390114456 /nfs/dbraw/zinc/11/44/56/390114456.db2.gz NJVYOWNCVXTMAE-AWEZNQCLSA-N 2 0 275.396 0.662 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491566185 390115022 /nfs/dbraw/zinc/11/50/22/390115022.db2.gz DZOQELQMBVTNKO-QWHCGFSZSA-N 2 0 266.389 0.239 20 30 CCEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000563806162 390493457 /nfs/dbraw/zinc/49/34/57/390493457.db2.gz OOZBIHSFHHKUKL-CHWSQXEVSA-N 2 0 256.394 0.123 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645944949 390542550 /nfs/dbraw/zinc/54/25/50/390542550.db2.gz OIMYHMVEOIIEDQ-GFCCVEGCSA-N 2 0 251.374 0.751 20 30 CCEDRP C[NH+]1CCC(C[NH2+]CCC#N)(N2CCOCC2)CC1 ZINC000567693022 390710427 /nfs/dbraw/zinc/71/04/27/390710427.db2.gz IMXGHRIPNUBSNF-UHFFFAOYSA-N 2 0 266.389 0.286 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCC#N ZINC000570099490 390717192 /nfs/dbraw/zinc/71/71/92/390717192.db2.gz MQWYVTIUDBWJRM-UHFFFAOYSA-N 2 0 254.378 0.632 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC[NH2+]1 ZINC000662777751 414784759 /nfs/dbraw/zinc/78/47/59/414784759.db2.gz CQZJRATYMSCDJY-VNHYZAJKSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662404947 414714975 /nfs/dbraw/zinc/71/49/75/414714975.db2.gz KZQOJMZSICFHQD-GXTWGEPZSA-N 2 0 251.374 0.801 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000490631266 261173066 /nfs/dbraw/zinc/17/30/66/261173066.db2.gz UNCPCBYTEGGTGJ-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000341639155 263345144 /nfs/dbraw/zinc/34/51/44/263345144.db2.gz MWQHCUYJPGZEHL-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C[C@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000341904081 263364965 /nfs/dbraw/zinc/36/49/65/263364965.db2.gz DCYQEISKFVUSRB-HOTGVXAUSA-N 2 0 280.412 0.683 20 30 CCEDRP C[C@@H](O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905708 263365048 /nfs/dbraw/zinc/36/50/48/263365048.db2.gz CCEQKLDXCHDCQG-QKPAOTATSA-N 2 0 280.412 0.395 20 30 CCEDRP C[C@@H]1C[NH+](CC#CC[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O ZINC000342119822 263389958 /nfs/dbraw/zinc/38/99/58/263389958.db2.gz CZCLYBUTMYOSGQ-WCVJEAGWSA-N 2 0 280.412 0.395 20 30 CCEDRP CC[C@H](CC#N)N[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000584122265 327044879 /nfs/dbraw/zinc/04/48/79/327044879.db2.gz MHRTVGCGLUJYLZ-QWHCGFSZSA-N 2 0 266.389 0.821 20 30 CCEDRP C[C@@]1(CO)CCC[NH+]1CC#CC[N@H+]1CCC[C@@]1(C)CO ZINC000560162189 327287731 /nfs/dbraw/zinc/28/77/31/327287731.db2.gz NOSDWTPMFCVMNG-HOTGVXAUSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CC)CC1 ZINC000171726477 329079309 /nfs/dbraw/zinc/07/93/09/329079309.db2.gz KKRPYOVWIIQTJD-UHFFFAOYSA-N 2 0 268.405 0.888 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262429460 330009978 /nfs/dbraw/zinc/00/99/78/330009978.db2.gz DNPPASUZMUEAKK-QWHCGFSZSA-N 2 0 268.405 0.896 20 30 CCEDRP C#CCNC(NC[C@H]1C[N@H+](CC(C)C)CCO1)=[NH+]C ZINC000262506619 330018472 /nfs/dbraw/zinc/01/84/72/330018472.db2.gz AEERSMFGXQWUOD-ZDUSSCGKSA-N 2 0 266.389 0.141 20 30 CCEDRP C=CC[C@H](CO)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423036881 330166548 /nfs/dbraw/zinc/16/65/48/330166548.db2.gz LWVZABLRPMIEFX-QWHCGFSZSA-N 2 0 284.400 0.834 20 30 CCEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423182935 330175338 /nfs/dbraw/zinc/17/53/38/330175338.db2.gz KMXSOQDVZJODHZ-ZIAGYGMSSA-N 2 0 250.390 0.954 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000424077390 330221069 /nfs/dbraw/zinc/22/10/69/330221069.db2.gz NZVBHIUIMCFIRP-CHWSQXEVSA-N 2 0 260.341 0.824 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424146625 330292895 /nfs/dbraw/zinc/29/28/95/330292895.db2.gz PTNBCSMGMQJLII-ZIAGYGMSSA-N 2 0 278.400 0.952 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000424199185 330326244 /nfs/dbraw/zinc/32/62/44/330326244.db2.gz QAYWEQDDMSSGHK-IHRRRGAJSA-N 2 0 278.400 0.998 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000491525558 332230364 /nfs/dbraw/zinc/23/03/64/332230364.db2.gz SUVUIKMGVOEEJR-CYBMUJFWSA-N 2 0 268.405 0.758 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000491568267 332239845 /nfs/dbraw/zinc/23/98/45/332239845.db2.gz PYFGZTCJDNHSQE-UHFFFAOYSA-N 2 0 298.500 0.993 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000491626413 332250132 /nfs/dbraw/zinc/25/01/32/332250132.db2.gz JSUFYXVWTIJEBE-AWEZNQCLSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000491729920 332312101 /nfs/dbraw/zinc/31/21/01/332312101.db2.gz IWJDANQMXYEZDV-QWHCGFSZSA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)CC1 ZINC000155188541 334715145 /nfs/dbraw/zinc/71/51/45/334715145.db2.gz YMXRXIFWWFQJQU-ZIAGYGMSSA-N 2 0 277.412 0.883 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000576339861 335191434 /nfs/dbraw/zinc/19/14/34/335191434.db2.gz ZQWVMNDSCVDZJF-QLFBSQMISA-N 2 0 282.432 0.655 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000580558342 335280517 /nfs/dbraw/zinc/28/05/17/335280517.db2.gz FJRXOJBEBRNTCF-ZDUSSCGKSA-N 2 0 266.389 1.000 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000334994954 526506240 /nfs/dbraw/zinc/50/62/40/526506240.db2.gz BUJPRPSGIVZXMI-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP CC[NH+](CC#CC[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000352194413 527879399 /nfs/dbraw/zinc/87/93/99/527879399.db2.gz JNJTWJRYVPLSLJ-KBPBESRZSA-N 2 0 256.390 0.395 20 30 CCEDRP C=C[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000669253089 545203537 /nfs/dbraw/zinc/20/35/37/545203537.db2.gz VJHKZDLRSKQTRQ-AWEZNQCLSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CC(Oc2ccncc2)C1 ZINC000730833832 581740202 /nfs/dbraw/zinc/74/02/02/581740202.db2.gz TZMRPPZMTSOLQZ-HNNXBMFYSA-N 2 0 285.347 0.769 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260823 612948076 /nfs/dbraw/zinc/94/80/76/612948076.db2.gz GGXVWDNMGUYFNS-UONOGXRCSA-N 2 0 286.379 0.730 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000820687909 613073312 /nfs/dbraw/zinc/07/33/12/613073312.db2.gz DWTYAGZZHLNUOA-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP CC(C)(C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867963402 614088506 /nfs/dbraw/zinc/08/85/06/614088506.db2.gz LZZKLNGJZMYJKI-CYBMUJFWSA-N 2 0 272.352 0.599 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965841660 612954261 /nfs/dbraw/zinc/95/42/61/612954261.db2.gz JRECOSOFUSMBDW-HOUHCIJLSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970498568 612967558 /nfs/dbraw/zinc/96/75/58/612967558.db2.gz FFOPZSITDLAGLZ-GFCCVEGCSA-N 2 0 272.352 0.585 20 30 CCEDRP C#CCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000887125601 612970702 /nfs/dbraw/zinc/97/07/02/612970702.db2.gz CHEGTDAVPKXQHJ-AWEZNQCLSA-N 2 0 266.385 0.605 20 30 CCEDRP C#CCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000887125602 612970843 /nfs/dbraw/zinc/97/08/43/612970843.db2.gz CHEGTDAVPKXQHJ-CQSZACIVSA-N 2 0 266.385 0.605 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411391 612994028 /nfs/dbraw/zinc/99/40/28/612994028.db2.gz KCXFZLQJOVWTGO-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000843804409 612998865 /nfs/dbraw/zinc/99/88/65/612998865.db2.gz XWRRKAIMZVLWSM-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900797060 612998898 /nfs/dbraw/zinc/99/88/98/612998898.db2.gz AMIKEKOJNWSMKJ-UHFFFAOYSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CC[C@@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895490685 613029990 /nfs/dbraw/zinc/02/99/90/613029990.db2.gz RNXGNCBDHNSUJS-ZDUSSCGKSA-N 2 0 254.374 0.196 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961776564 613042874 /nfs/dbraw/zinc/04/28/74/613042874.db2.gz DOVMUADNBAQWLW-FOLVSLTJSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCN(C(=O)N[C@@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000914315297 613067973 /nfs/dbraw/zinc/06/79/73/613067973.db2.gz PKVSCZPYCMVPSQ-CQSZACIVSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000854094510 613073522 /nfs/dbraw/zinc/07/35/22/613073522.db2.gz UCMMDXJOVGKQQT-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891921567 613074775 /nfs/dbraw/zinc/07/47/75/613074775.db2.gz RPZWQIALDWJVGV-BETUJISGSA-N 2 0 264.373 0.087 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868581548 613078681 /nfs/dbraw/zinc/07/86/81/613078681.db2.gz JDTMFFPYUJFVON-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971675839 613082330 /nfs/dbraw/zinc/08/23/30/613082330.db2.gz BQKPHHGALDGOKR-ZIAGYGMSSA-N 2 0 263.385 0.493 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972355441 613083360 /nfs/dbraw/zinc/08/33/60/613083360.db2.gz WBULKWSLNJJVCY-OLZOCXBDSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119774 613140008 /nfs/dbraw/zinc/14/00/08/613140008.db2.gz GJVSXFMKLJPBHW-UHFFFAOYSA-N 2 0 287.407 0.640 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982113061 613141528 /nfs/dbraw/zinc/14/15/28/613141528.db2.gz IMSVAMZXHMESNR-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#Cc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000819356937 613201028 /nfs/dbraw/zinc/20/10/28/613201028.db2.gz JBVFGLBCEPNZTJ-KRWDZBQOSA-N 2 0 287.407 0.366 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)N1CC[NH+](C)CC1 ZINC000848984126 613346393 /nfs/dbraw/zinc/34/63/93/613346393.db2.gz QZGKGODTTNNYMO-UHFFFAOYSA-N 2 0 267.421 0.702 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000901344973 613364689 /nfs/dbraw/zinc/36/46/89/613364689.db2.gz BHYVYTMMWIMLBI-UHFFFAOYSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831708402 613365006 /nfs/dbraw/zinc/36/50/06/613365006.db2.gz RUAOHYGDTBQPIS-CYBMUJFWSA-N 2 0 271.405 0.577 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214509 613365934 /nfs/dbraw/zinc/36/59/34/613365934.db2.gz UBDQOTZDENBVHV-UHFFFAOYSA-N 2 0 281.400 0.427 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000876927720 613387317 /nfs/dbraw/zinc/38/73/17/613387317.db2.gz KJSHIEZMGLSSRT-SNVBAGLBSA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876923466 613387600 /nfs/dbraw/zinc/38/76/00/613387600.db2.gz CFCCKFVIJNNNIQ-PWSUYJOCSA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000876889968 613388148 /nfs/dbraw/zinc/38/81/48/613388148.db2.gz SHMVQKHXFYSVDC-SNVBAGLBSA-N 2 0 263.769 0.151 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000876744068 613390108 /nfs/dbraw/zinc/39/01/08/613390108.db2.gz MYXCVKFZHNJHDH-UTUOFQBUSA-N 2 0 287.791 0.436 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000876515725 613390437 /nfs/dbraw/zinc/39/04/37/613390437.db2.gz FCLQRUGYQZNKCQ-VWYCJHECSA-N 2 0 259.781 0.961 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000952447263 613503792 /nfs/dbraw/zinc/50/37/92/613503792.db2.gz URHXZTJRYSJWQA-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP CC#CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000801145328 613516941 /nfs/dbraw/zinc/51/69/41/613516941.db2.gz QOWFMDWMYWSRBA-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944290 613597744 /nfs/dbraw/zinc/59/77/44/613597744.db2.gz MEZLAYSBXJANAH-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891520890 613674879 /nfs/dbraw/zinc/67/48/79/613674879.db2.gz AKHJMKQCBAAFAY-XJKSGUPXSA-N 2 0 292.427 0.888 20 30 CCEDRP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977588342 613827575 /nfs/dbraw/zinc/82/75/75/613827575.db2.gz NMMKBXJPHSTEAW-OLZOCXBDSA-N 2 0 265.401 0.951 20 30 CCEDRP CCC(CC)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884031703 614522897 /nfs/dbraw/zinc/52/28/97/614522897.db2.gz XWSMCFMNMACNON-MBHSVXNSSA-N 2 0 278.400 0.759 20 30 CCEDRP CC1(C)CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]1 ZINC000884305114 614584329 /nfs/dbraw/zinc/58/43/29/614584329.db2.gz MCGOSNPFEIZMHD-MQYJIDSJSA-N 2 0 276.384 0.336 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000872276357 614699584 /nfs/dbraw/zinc/69/95/84/614699584.db2.gz OERONICVCYWCNK-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000834493603 614904299 /nfs/dbraw/zinc/90/42/99/614904299.db2.gz FTFHBGIYHAJBKC-KKUMJFAQSA-N 2 0 286.379 0.907 20 30 CCEDRP CC[NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884014584 615085246 /nfs/dbraw/zinc/08/52/46/615085246.db2.gz QXCKLMPMZKTWRO-MBHSVXNSSA-N 2 0 264.373 0.242 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)CCOC ZINC000104173078 615144475 /nfs/dbraw/zinc/14/44/75/615144475.db2.gz FBXDIZDTJXTENA-AWEZNQCLSA-N 3 0 299.463 0.343 20 30 CCEDRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834495332 615953573 /nfs/dbraw/zinc/95/35/73/615953573.db2.gz UGFPYNLSPGGECQ-KBPBESRZSA-N 2 0 272.352 0.590 20 30 CCEDRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852872015 615978147 /nfs/dbraw/zinc/97/81/47/615978147.db2.gz ZXBVRTSSLZXBKT-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP C[NH+]1CCC(C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000895844116 616169383 /nfs/dbraw/zinc/16/93/83/616169383.db2.gz DBWSYQAQHQTHNB-UHFFFAOYSA-N 2 0 250.390 0.859 20 30 CCEDRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852860405 616187669 /nfs/dbraw/zinc/18/76/69/616187669.db2.gz PYEATLGPDCUUCA-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975692 622875005 /nfs/dbraw/zinc/87/50/05/622875005.db2.gz RMIBFCCLKZAAID-APIJFGDWSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001023123588 622917833 /nfs/dbraw/zinc/91/78/33/622917833.db2.gz YGECCJVWRIKOIN-XDQVBPFNSA-N 2 0 263.385 0.729 20 30 CCEDRP CCNC(=O)C(C)(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000157403471 622974065 /nfs/dbraw/zinc/97/40/65/622974065.db2.gz SNARAURGGCWXFB-LBPRGKRZSA-N 2 0 297.447 0.537 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372157 623017291 /nfs/dbraw/zinc/01/72/91/623017291.db2.gz OQORUFAASRPORP-ZBFHGGJFSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446431 623033748 /nfs/dbraw/zinc/03/37/48/623033748.db2.gz PMESNJGRPBFVPH-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCCOC)[NH+](C)C ZINC000066245155 623442747 /nfs/dbraw/zinc/44/27/47/623442747.db2.gz SPJUISSCYFKVLK-GFCCVEGCSA-N 2 0 258.410 0.904 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001022103992 624874213 /nfs/dbraw/zinc/87/42/13/624874213.db2.gz QOIMEXYHKDGLFY-FVCCEPFGSA-N 2 0 251.374 0.749 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417465 625875081 /nfs/dbraw/zinc/87/50/81/625875081.db2.gz ZECRXDSGKPCFMM-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903929726 634689911 /nfs/dbraw/zinc/68/99/11/634689911.db2.gz KFZGTTNYGKIETI-AGIUHOORSA-N 2 0 274.372 0.984 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)C1 ZINC000178564069 631385316 /nfs/dbraw/zinc/38/53/16/631385316.db2.gz QZOLTLDPWBWNLP-GFCCVEGCSA-N 2 0 256.394 0.659 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000841849750 631600219 /nfs/dbraw/zinc/60/02/19/631600219.db2.gz JYAQIQVQDHPMKV-MGPQQGTHSA-N 2 0 272.352 0.694 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000303369487 632483795 /nfs/dbraw/zinc/48/37/95/632483795.db2.gz JQGXLXFSYREVGB-KGLIPLIRSA-N 2 0 283.464 0.963 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303378598 632485397 /nfs/dbraw/zinc/48/53/97/632485397.db2.gz QBWKAHCTXQVBKA-QWHCGFSZSA-N 2 0 297.447 0.632 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303378595 632485489 /nfs/dbraw/zinc/48/54/89/632485489.db2.gz QBWKAHCTXQVBKA-CHWSQXEVSA-N 2 0 297.447 0.632 20 30 CCEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCCCC1 ZINC000303894030 632493543 /nfs/dbraw/zinc/49/35/43/632493543.db2.gz ONMGOYBINDIMKH-UHFFFAOYSA-N 2 0 256.394 0.755 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000985752581 632635485 /nfs/dbraw/zinc/63/54/85/632635485.db2.gz WHPQJARPLYVTOK-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cncc2C)C1 ZINC000989185308 633165993 /nfs/dbraw/zinc/16/59/93/633165993.db2.gz DODKUDLSOUMGER-AAEUAGOBSA-N 2 0 260.341 0.404 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC)C[C@H]2C)CC1 ZINC000989828788 633364483 /nfs/dbraw/zinc/36/44/83/633364483.db2.gz ITZQOMOPZCPCST-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001009205561 650140089 /nfs/dbraw/zinc/14/00/89/650140089.db2.gz APZNJYSWNYXLAE-CYBMUJFWSA-N 2 0 274.368 0.567 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000997310749 638862520 /nfs/dbraw/zinc/86/25/20/638862520.db2.gz UFGUGGFHYNKAPH-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999404738 638980708 /nfs/dbraw/zinc/98/07/08/638980708.db2.gz ZPGVWUHKSQOPGX-HSBZDZAISA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003632538 639581785 /nfs/dbraw/zinc/58/17/85/639581785.db2.gz ARROVFYGDJEYIS-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004149933 639698219 /nfs/dbraw/zinc/69/82/19/639698219.db2.gz ODJJPEOLXBBRKR-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C[C@H](C#N)OCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707795 643989361 /nfs/dbraw/zinc/98/93/61/643989361.db2.gz KXZQRTJXBBQUSA-OCCSQVGLSA-N 2 0 267.373 0.446 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000852798618 644003040 /nfs/dbraw/zinc/00/30/40/644003040.db2.gz MNZZSFYKXAJFJE-UHFFFAOYSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000852878911 644038747 /nfs/dbraw/zinc/03/87/47/644038747.db2.gz ARWAGLGZTQCYRV-KRWDZBQOSA-N 2 0 297.402 0.993 20 30 CCEDRP [NH3+]C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C1CCCC1 ZINC000852890667 644045227 /nfs/dbraw/zinc/04/52/27/644045227.db2.gz KVZHFSLJKOIXEI-AWEZNQCLSA-N 2 0 263.385 0.623 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001019321689 650961685 /nfs/dbraw/zinc/96/16/85/650961685.db2.gz LHKWGEDTZUGEIR-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)[NH2+]1 ZINC000867966046 645691401 /nfs/dbraw/zinc/69/14/01/645691401.db2.gz LXJCKTWEQZVEDC-HSMVNMDESA-N 2 0 298.390 0.954 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340330 651060070 /nfs/dbraw/zinc/06/00/70/651060070.db2.gz NTHDQBDTUCKSGI-RBSFLKMASA-N 2 0 277.412 0.977 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC([NH3+])CC1 ZINC000876502271 646613437 /nfs/dbraw/zinc/61/34/37/646613437.db2.gz XOWXXEBMXJBHML-OAHLLOKOSA-N 2 0 284.363 0.695 20 30 CCEDRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876830218 646676114 /nfs/dbraw/zinc/67/61/14/646676114.db2.gz DNLDBRSILQWYCN-RLCCDNCMSA-N 2 0 298.390 0.859 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1(C[NH3+])CCCC1)C2 ZINC000884029911 647618244 /nfs/dbraw/zinc/61/82/44/647618244.db2.gz AGTLQNMICFZRKT-MBHSVXNSSA-N 2 0 276.384 0.513 20 30 CCEDRP C[C@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCC[NH2+]C1 ZINC000884247235 647678442 /nfs/dbraw/zinc/67/84/42/647678442.db2.gz NOUIKDSJBNACSV-AYDDYBHNSA-N 2 0 290.411 0.632 20 30 CCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884271407 647689975 /nfs/dbraw/zinc/68/99/75/647689975.db2.gz DGHVPGFNEBYDQY-AQAWDFJWSA-N 2 0 276.384 0.382 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001006403324 647956134 /nfs/dbraw/zinc/95/61/34/647956134.db2.gz GBTSKLSIQHFDME-UHFFFAOYSA-N 2 0 263.385 0.638 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883942 649826188 /nfs/dbraw/zinc/82/61/88/649826188.db2.gz MMDUQZIIJSBYTA-RYUDHWBXSA-N 2 0 256.394 0.658 20 30 CCEDRP CCNC(NCCCC[NH+]1CCN(CC)CC1)=[NH+]CC ZINC000303254808 649813394 /nfs/dbraw/zinc/81/33/94/649813394.db2.gz FDTPXEQJISHLPU-UHFFFAOYSA-N 2 0 283.464 0.979 20 30 CCEDRP C=CCNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303264328 649813609 /nfs/dbraw/zinc/81/36/09/649813609.db2.gz SDZFNCOPRUAYLH-VXGBXAGGSA-N 2 0 254.378 0.576 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000303874340 649825981 /nfs/dbraw/zinc/82/59/81/649825981.db2.gz HDKCKNVADVPWCA-LSDHHAIUSA-N 2 0 295.475 0.917 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCC2CCC2)CC1 ZINC000303881974 649826114 /nfs/dbraw/zinc/82/61/14/649826114.db2.gz HYEYHMDCEPNZCB-ZDUSSCGKSA-N 2 0 281.448 0.717 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC)C1 ZINC000303881395 649826313 /nfs/dbraw/zinc/82/63/13/649826313.db2.gz HRVLHEPHFQCTKJ-LBPRGKRZSA-N 2 0 256.394 0.659 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303894649 649826648 /nfs/dbraw/zinc/82/66/48/649826648.db2.gz SQLYEYLMEUMRDA-CYBMUJFWSA-N 2 0 268.405 0.754 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)n1 ZINC000303988924 649828070 /nfs/dbraw/zinc/82/80/70/649828070.db2.gz WYXXWWLYCRIDKC-ZDUSSCGKSA-N 2 0 291.399 0.979 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)C[NH+]=C(N(C)C)N(C)C ZINC000304836216 649839468 /nfs/dbraw/zinc/83/94/68/649839468.db2.gz NOBBDTZXLCIAIE-LBPRGKRZSA-N 2 0 258.410 0.822 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC[NH+](C)C)OCC ZINC000304850150 649840289 /nfs/dbraw/zinc/84/02/89/649840289.db2.gz WYGJEWANWUWIMG-GFCCVEGCSA-N 2 0 256.394 0.824 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCCCCC1)N1CC[NH+](C)CC1 ZINC000305085459 649841398 /nfs/dbraw/zinc/84/13/98/649841398.db2.gz UQBSKPGYJCHFMN-CQSZACIVSA-N 2 0 281.448 0.813 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266419161 790663324 /nfs/dbraw/zinc/66/33/24/790663324.db2.gz XWBKSVQMZIQEGO-AWEZNQCLSA-N 2 0 275.396 0.732 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001266480585 790775821 /nfs/dbraw/zinc/77/58/21/790775821.db2.gz UBHJZCHECCQCJU-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001266611467 791023372 /nfs/dbraw/zinc/02/33/72/791023372.db2.gz KPXULEVRHJQSDW-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CN(C)CCO1)C(C)C ZINC001277561741 805850251 /nfs/dbraw/zinc/85/02/51/805850251.db2.gz CDEFRFCZBXRMAS-KGLIPLIRSA-N 2 0 281.400 0.071 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001277692666 805963869 /nfs/dbraw/zinc/96/38/69/805963869.db2.gz FBHYQPSLYBBHGB-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C(C)(C)C#N ZINC001143408330 791312084 /nfs/dbraw/zinc/31/20/84/791312084.db2.gz VGMZOPFUSCGPLH-UHFFFAOYSA-N 2 0 253.350 0.600 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266876934 791318152 /nfs/dbraw/zinc/31/81/52/791318152.db2.gz PZYQYGLOISMOEP-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001266948884 791385901 /nfs/dbraw/zinc/38/59/01/791385901.db2.gz QRJWBOARZOJDIQ-CYBMUJFWSA-N 2 0 283.416 0.625 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267041879 791473547 /nfs/dbraw/zinc/47/35/47/791473547.db2.gz SRMFWFLFBVHNIL-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267046586 791477695 /nfs/dbraw/zinc/47/76/95/791477695.db2.gz FLLXFCCECISHJH-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267068781 791496446 /nfs/dbraw/zinc/49/64/46/791496446.db2.gz ITVJQGCMMLZACI-KGLIPLIRSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001267154298 791598283 /nfs/dbraw/zinc/59/82/83/791598283.db2.gz AQNGCUAMFIEHRM-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267215994 791686933 /nfs/dbraw/zinc/68/69/33/791686933.db2.gz KBUCNIXRXOVSMP-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871133 806512426 /nfs/dbraw/zinc/51/24/26/806512426.db2.gz PQPKFFPTYSBUHQ-UHFFFAOYSA-N 2 0 286.423 0.252 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001277980434 806556487 /nfs/dbraw/zinc/55/64/87/806556487.db2.gz HVFQBHQSGBQBBQ-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001121246665 799020091 /nfs/dbraw/zinc/02/00/91/799020091.db2.gz QTWWVXQOOOGCKA-LETWWHAPSA-N 2 0 289.423 0.977 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)C[NH+]1CCC(CO)CC1 ZINC001139873737 799851501 /nfs/dbraw/zinc/85/15/01/799851501.db2.gz CDWLYZVQHYHSIC-UHFFFAOYSA-N 2 0 297.443 0.657 20 30 CCEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150225773 800325051 /nfs/dbraw/zinc/32/50/51/800325051.db2.gz UTFBSURUXPQWJD-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150293196 800330432 /nfs/dbraw/zinc/33/04/32/800330432.db2.gz WAJDRHFELCAISE-LSDHHAIUSA-N 2 0 297.443 0.966 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152236628 800504193 /nfs/dbraw/zinc/50/41/93/800504193.db2.gz FDMDSKHKJIPLTO-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001278294802 806892543 /nfs/dbraw/zinc/89/25/43/806892543.db2.gz WETMOXOYZRVSQC-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001157937426 801531794 /nfs/dbraw/zinc/53/17/94/801531794.db2.gz VECQHZBDDWVUNC-AWEZNQCLSA-N 2 0 272.352 0.509 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160669329 801995016 /nfs/dbraw/zinc/99/50/16/801995016.db2.gz BCVTZLWYLIKDBG-ZDUSSCGKSA-N 2 0 292.408 0.558 20 30 CCEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001279810399 809997401 /nfs/dbraw/zinc/99/74/01/809997401.db2.gz QGWPIRIBPBFLFS-GJZGRUSLSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001165464579 802845823 /nfs/dbraw/zinc/84/58/23/802845823.db2.gz GSZXVULHGQIXMY-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208335598 803507716 /nfs/dbraw/zinc/50/77/16/803507716.db2.gz WJDMKGIKTFPEKH-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208698526 803536499 /nfs/dbraw/zinc/53/64/99/803536499.db2.gz BBEIHIAFCVWJDR-KFWWJZLASA-N 2 0 297.443 0.966 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323760 803594826 /nfs/dbraw/zinc/59/48/26/803594826.db2.gz LQRBLAUSNCULRJ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001276656883 803616485 /nfs/dbraw/zinc/61/64/85/803616485.db2.gz SRRJLFXAYZGNKZ-TZMCWYRMSA-N 2 0 263.385 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209640874 803619330 /nfs/dbraw/zinc/61/93/30/803619330.db2.gz DTPKZCGFZRFMCC-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209643713 803619804 /nfs/dbraw/zinc/61/98/04/803619804.db2.gz VUILSQIYDNVWST-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081149 803667476 /nfs/dbraw/zinc/66/74/76/803667476.db2.gz IUYYMAARJMMQMH-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883310 803759452 /nfs/dbraw/zinc/75/94/52/803759452.db2.gz MBEUGKQRECDHDI-NWDGAFQWSA-N 2 0 256.394 0.658 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214863787 803763005 /nfs/dbraw/zinc/76/30/05/803763005.db2.gz WMHBBRZZDGPIKE-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216221994 803837056 /nfs/dbraw/zinc/83/70/56/803837056.db2.gz QFGCJVGPEJDXTG-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP N#Cc1c(NC(=O)C2([NH3+])CC2)sc2c1CC[NH2+]C2 ZINC001218551925 804001138 /nfs/dbraw/zinc/00/11/38/804001138.db2.gz AJJBZTBKTQRLAH-UHFFFAOYSA-N 2 0 262.338 0.695 20 30 CCEDRP N#Cc1c(F)ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1F ZINC001218912550 804154946 /nfs/dbraw/zinc/15/49/46/804154946.db2.gz CPVQGTKZPNYOEO-VIFPVBQESA-N 2 0 292.289 0.584 20 30 CCEDRP N#Cc1c(F)ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1F ZINC001218914078 804156682 /nfs/dbraw/zinc/15/66/82/804156682.db2.gz PPUHWVXHYOOISN-VIFPVBQESA-N 2 0 268.267 0.841 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805470 804425189 /nfs/dbraw/zinc/42/51/89/804425189.db2.gz JQURJRMEKAAAQP-HZSPNIEDSA-N 2 0 281.400 0.064 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954943 804458072 /nfs/dbraw/zinc/45/80/72/804458072.db2.gz ZBYFUNBQSLGMRX-AWEZNQCLSA-N 2 0 251.374 0.766 20 30 CCEDRP C=CCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220484725 804614137 /nfs/dbraw/zinc/61/41/37/804614137.db2.gz QSCHYZBOHQBOJK-LBPRGKRZSA-N 2 0 251.374 0.943 20 30 CCEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220596807 804634964 /nfs/dbraw/zinc/63/49/64/804634964.db2.gz IPIRUUOVRCJQOG-LSDHHAIUSA-N 2 0 296.374 0.471 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220700823 804652137 /nfs/dbraw/zinc/65/21/37/804652137.db2.gz PERVFPQHGMLIJK-OLZOCXBDSA-N 2 0 278.400 0.915 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776845 804843102 /nfs/dbraw/zinc/84/31/02/804843102.db2.gz GLJAILGKALJXQV-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772752 804843788 /nfs/dbraw/zinc/84/37/88/804843788.db2.gz LICVFPOOEUQKND-HUUCEWRRSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001276956794 805015444 /nfs/dbraw/zinc/01/54/44/805015444.db2.gz NRLAFYDMJMJYEP-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277034186 805121219 /nfs/dbraw/zinc/12/12/19/805121219.db2.gz ZSOILZVNYMBRIM-HDJSIYSDSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001277074665 805164050 /nfs/dbraw/zinc/16/40/50/805164050.db2.gz MAIWKVAMJPUDCI-IHRRRGAJSA-N 2 0 265.401 0.999 20 30 CCEDRP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168303790 815083875 /nfs/dbraw/zinc/08/38/75/815083875.db2.gz DKNZWSQKBJPCJC-XKGSQUFQSA-N 2 0 255.362 0.685 20 30 CCEDRP C=CCOC(=O)N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246950348 807439080 /nfs/dbraw/zinc/43/90/80/807439080.db2.gz WVGHGGKDFJJUAS-CYBMUJFWSA-N 2 0 294.399 0.021 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001251881230 807732271 /nfs/dbraw/zinc/73/22/71/807732271.db2.gz PVMRFXDYXGQRFM-AWEZNQCLSA-N 2 0 256.390 0.709 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001251885263 807734015 /nfs/dbraw/zinc/73/40/15/807734015.db2.gz RACVHUYSNUZWLP-OAHLLOKOSA-N 2 0 268.401 0.707 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH2+]C(C)(C)C ZINC001253409141 808062445 /nfs/dbraw/zinc/06/24/45/808062445.db2.gz OZXYNNBDZQYJFF-KBPBESRZSA-N 2 0 269.433 0.975 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278815497 808280946 /nfs/dbraw/zinc/28/09/46/808280946.db2.gz FNGITXLCCMBOHY-GDBMZVCRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076106091 815244630 /nfs/dbraw/zinc/24/46/30/815244630.db2.gz VIPCASIBOQPSOH-UONOGXRCSA-N 2 0 274.368 0.992 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001261434809 808976805 /nfs/dbraw/zinc/97/68/05/808976805.db2.gz XAROQYYZZWDLEV-ZDUSSCGKSA-N 2 0 260.341 0.783 20 30 CCEDRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261458534 808980699 /nfs/dbraw/zinc/98/06/99/808980699.db2.gz BUESEZPPYZDJCZ-OLZOCXBDSA-N 2 0 266.389 0.808 20 30 CCEDRP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001261552601 809019017 /nfs/dbraw/zinc/01/90/17/809019017.db2.gz WRTIMWYWLRACOX-AAEUAGOBSA-N 2 0 266.389 0.983 20 30 CCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264078365 809628864 /nfs/dbraw/zinc/62/88/64/809628864.db2.gz IWAZZOVILKDXQB-HNNXBMFYSA-N 2 0 295.427 0.247 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001265378264 809767592 /nfs/dbraw/zinc/76/75/92/809767592.db2.gz IWWNKCUSXSZTHF-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265609556 809813871 /nfs/dbraw/zinc/81/38/71/809813871.db2.gz RRCWIQDBFPPMAW-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265623686 809815918 /nfs/dbraw/zinc/81/59/18/809815918.db2.gz BOJPBIZVOIAKRA-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001265687969 809826704 /nfs/dbraw/zinc/82/67/04/809826704.db2.gz KDRASWSSBZYYGT-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038269785 811120321 /nfs/dbraw/zinc/12/03/21/811120321.db2.gz QJIKLJHFAMAZNO-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267303156 811122600 /nfs/dbraw/zinc/12/26/00/811122600.db2.gz KVOLDPFIWWWZEH-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP C=C(Br)C[NH2+]CCN(C)C(=O)CC[NH+](C)C ZINC001267424701 811297471 /nfs/dbraw/zinc/29/74/71/811297471.db2.gz ZEROMRBBVIPJDS-UHFFFAOYSA-N 2 0 292.221 0.895 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456404 811318070 /nfs/dbraw/zinc/31/80/70/811318070.db2.gz WJTCKMAWVXDCFN-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275046 811432629 /nfs/dbraw/zinc/43/26/29/811432629.db2.gz MNHBLCAWQMGTIP-SOUVJXGZSA-N 2 0 293.411 0.426 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639007 811600589 /nfs/dbraw/zinc/60/05/89/811600589.db2.gz WPKSGPGIBHXRNS-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001267788595 811787500 /nfs/dbraw/zinc/78/75/00/811787500.db2.gz ARROJCRQJMEGOB-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268028640 812015305 /nfs/dbraw/zinc/01/53/05/812015305.db2.gz KSLMYMFORHUMKC-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268077859 812191136 /nfs/dbraw/zinc/19/11/36/812191136.db2.gz RBIZZMYVEQLFSB-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCCO)CC1 ZINC001268099822 812257673 /nfs/dbraw/zinc/25/76/73/812257673.db2.gz PSFYIPFSVTZAAM-AWEZNQCLSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268239556 812404387 /nfs/dbraw/zinc/40/43/87/812404387.db2.gz SRNGMBLJLQWDFC-UHFFFAOYSA-N 2 0 251.374 0.494 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028548988 812831064 /nfs/dbraw/zinc/83/10/64/812831064.db2.gz JRAHUJVTHLAVBT-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001268688315 813010799 /nfs/dbraw/zinc/01/07/99/813010799.db2.gz ZWTOTXOVAXBWRN-RYUDHWBXSA-N 2 0 257.353 0.394 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001269116552 813223205 /nfs/dbraw/zinc/22/32/05/813223205.db2.gz SDVKIYASIDODLR-STQMWFEESA-N 2 0 251.374 0.444 20 30 CCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001269653363 813463713 /nfs/dbraw/zinc/46/37/13/813463713.db2.gz XCTSRRNYBKSWPI-OAHLLOKOSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001270041850 813596272 /nfs/dbraw/zinc/59/62/72/813596272.db2.gz LFKKZDNZEIOWMU-HDJSIYSDSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001270174760 813663107 /nfs/dbraw/zinc/66/31/07/813663107.db2.gz RCZCQMCUFPZANS-HOCLYGCPSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001270436551 813763155 /nfs/dbraw/zinc/76/31/55/813763155.db2.gz ODZMEWVWPFWGJB-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800056 814062619 /nfs/dbraw/zinc/06/26/19/814062619.db2.gz PKWIVHOFIUIOLA-ARFHVFGLSA-N 2 0 287.407 0.494 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C(C)C)C1 ZINC001271160499 814253178 /nfs/dbraw/zinc/25/31/78/814253178.db2.gz UIROBRHWZPGSNZ-GOEBONIOSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217797 816443891 /nfs/dbraw/zinc/44/38/91/816443891.db2.gz HVINSESKPDMZNH-UKRRQHHQSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675121 817237181 /nfs/dbraw/zinc/23/71/81/817237181.db2.gz VYXDZWVXKPULQV-HNNXBMFYSA-N 2 0 275.396 0.400 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031674265 817237841 /nfs/dbraw/zinc/23/78/41/817237841.db2.gz FWOFNSPFOALUDH-HNNXBMFYSA-N 2 0 277.412 0.952 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976508 817514563 /nfs/dbraw/zinc/51/45/63/817514563.db2.gz NHEPTMXXKNMUOI-JSGCOSHPSA-N 2 0 263.385 0.255 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001031987194 817524912 /nfs/dbraw/zinc/52/49/12/817524912.db2.gz XAWQIWCFYGZCMD-ZIAGYGMSSA-N 2 0 286.379 0.595 20 30 CCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186003 817683605 /nfs/dbraw/zinc/68/36/05/817683605.db2.gz FPCADASXGZPSOZ-CQSZACIVSA-N 2 0 265.401 0.952 20 30 CCEDRP CNC(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000702603343 819154484 /nfs/dbraw/zinc/15/44/84/819154484.db2.gz RUURDHGGIKTZMR-HNNXBMFYSA-N 2 0 276.384 0.418 20 30 CCEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080449805 820574384 /nfs/dbraw/zinc/57/43/84/820574384.db2.gz ZWFPYRJJDXUUNJ-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080779008 820636277 /nfs/dbraw/zinc/63/62/77/820636277.db2.gz FAOWJNSBYNGMGL-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166694885 821282136 /nfs/dbraw/zinc/28/21/36/821282136.db2.gz YIVUWVOZKLJQCB-KGLIPLIRSA-N 2 0 283.416 0.483 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100042071 822148893 /nfs/dbraw/zinc/14/88/93/822148893.db2.gz SPPNBSBIGHIOLZ-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100063857 822208340 /nfs/dbraw/zinc/20/83/40/822208340.db2.gz DYWTWVAHRFMLFL-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710744 837898486 /nfs/dbraw/zinc/89/84/86/837898486.db2.gz CPAPGRHSSRANFB-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130427243 837791589 /nfs/dbraw/zinc/79/15/89/837791589.db2.gz KRWNAYXSSAHHRY-UHFFFAOYSA-N 2 0 271.405 0.625 20 30 CCEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394861 836003698 /nfs/dbraw/zinc/00/36/98/836003698.db2.gz LJYFRPRJCYJFII-HOCLYGCPSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086558840 836918846 /nfs/dbraw/zinc/91/88/46/836918846.db2.gz WFTFCUUUMHOOQF-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130553947 837850004 /nfs/dbraw/zinc/85/00/04/837850004.db2.gz SXNNJORKYOGBFO-UHFFFAOYSA-N 2 0 260.341 0.247 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521997 838119932 /nfs/dbraw/zinc/11/99/32/838119932.db2.gz OVTDEFFJGLNGBZ-BBBYJDLNSA-N 2 0 293.411 0.522 20 30 CCEDRP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001273496032 844324194 /nfs/dbraw/zinc/32/41/94/844324194.db2.gz RMZCPGWTJIDSJZ-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=C[C@@H](CO)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001158817899 838577061 /nfs/dbraw/zinc/57/70/61/838577061.db2.gz MEKVMHJNOYQCLB-LBPRGKRZSA-N 2 0 262.357 0.968 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274919027 848593673 /nfs/dbraw/zinc/59/36/73/848593673.db2.gz IJRWRNZTAOGCQP-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115032 839163864 /nfs/dbraw/zinc/16/38/64/839163864.db2.gz UMKYPEQLFQRDTH-UHFFFAOYSA-N 2 0 279.388 0.340 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135376005 839231750 /nfs/dbraw/zinc/23/17/50/839231750.db2.gz QDWYIAZZWQGIBS-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743593 839387148 /nfs/dbraw/zinc/38/71/48/839387148.db2.gz MSPBIRXUDGMNTJ-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923042 839472572 /nfs/dbraw/zinc/47/25/72/839472572.db2.gz GIKZBSICHKWASG-OLZOCXBDSA-N 2 0 269.389 0.071 20 30 CCEDRP N#Cc1nc(N[C@@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170895331 839541101 /nfs/dbraw/zinc/54/11/01/839541101.db2.gz RNBQXAJWPHYWAY-SECBINFHSA-N 2 0 250.262 0.297 20 30 CCEDRP N#Cc1ccc2c(c1)ncnc2N[C@@H]([NH3+])CCC[NH3+] ZINC001170897366 839542509 /nfs/dbraw/zinc/54/25/09/839542509.db2.gz FOGUCVBQDQCREE-GFCCVEGCSA-N 2 0 256.313 0.937 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715598 844452635 /nfs/dbraw/zinc/45/26/35/844452635.db2.gz GCOGMDMGVPUQMZ-KGLIPLIRSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730094 839759800 /nfs/dbraw/zinc/75/98/00/839759800.db2.gz FWZCNRDPXAFMHJ-KGLIPLIRSA-N 2 0 293.411 0.210 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001091201518 840131838 /nfs/dbraw/zinc/13/18/38/840131838.db2.gz WHXWAHACLHATDR-YMAMQOFZSA-N 2 0 295.427 0.766 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001091377719 840194747 /nfs/dbraw/zinc/19/47/47/840194747.db2.gz WFTFCUUUMHOOQF-NRXISQOPSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CC)C2)CC1 ZINC001091377688 840194805 /nfs/dbraw/zinc/19/48/05/840194805.db2.gz TXQJOGVMLRXAMI-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408528 840294694 /nfs/dbraw/zinc/29/46/94/840294694.db2.gz KNIZTBFKEPGPTN-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171295150 840477307 /nfs/dbraw/zinc/47/73/07/840477307.db2.gz YQAFYDRJJNBLMT-UHFFFAOYSA-N 2 0 281.400 0.381 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293916 840487331 /nfs/dbraw/zinc/48/73/31/840487331.db2.gz OAPYBDCBUNWMGK-UHFFFAOYSA-N 2 0 251.374 0.754 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193546 841171358 /nfs/dbraw/zinc/17/13/58/841171358.db2.gz JOQUKGJWGUFHFQ-HZSPNIEDSA-N 2 0 263.385 0.255 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036811353 841243443 /nfs/dbraw/zinc/24/34/43/841243443.db2.gz PJEPADWMDBORKW-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP N#CCC1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001173334390 842046979 /nfs/dbraw/zinc/04/69/79/842046979.db2.gz QWFZCNJRICFKBX-UHFFFAOYSA-N 2 0 284.364 0.597 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178817947 842931810 /nfs/dbraw/zinc/93/18/10/842931810.db2.gz OCJGRTPQTWXEJK-MJBXVCDLSA-N 2 0 283.391 0.879 20 30 CCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001151049661 843550847 /nfs/dbraw/zinc/55/08/47/843550847.db2.gz VQJGFMUSMDOAEE-HNNXBMFYSA-N 2 0 286.379 0.716 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001183175522 843972113 /nfs/dbraw/zinc/97/21/13/843972113.db2.gz CEFXAGCLQJEUTL-GDBMZVCRSA-N 2 0 289.423 0.790 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714140 845353776 /nfs/dbraw/zinc/35/37/76/845353776.db2.gz GSKCGZCJNGQFEI-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653798 845454300 /nfs/dbraw/zinc/45/43/00/845454300.db2.gz GHOFGNPTQFWIOQ-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193621236 846128881 /nfs/dbraw/zinc/12/88/81/846128881.db2.gz DYWLOXOFEFDQDZ-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794824 846303299 /nfs/dbraw/zinc/30/32/99/846303299.db2.gz ZCMQHHBVQMOFBR-ZIAGYGMSSA-N 2 0 277.412 0.977 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195661314 846602845 /nfs/dbraw/zinc/60/28/45/846602845.db2.gz LSNHKEBSLMCTAP-CHWSQXEVSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859565 846633991 /nfs/dbraw/zinc/63/39/91/846633991.db2.gz LCEGSAVDUXSYQE-MGPQQGTHSA-N 2 0 283.416 0.454 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198030375 847032964 /nfs/dbraw/zinc/03/29/64/847032964.db2.gz ZANMAXUARZOKIN-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788712 847433381 /nfs/dbraw/zinc/43/33/81/847433381.db2.gz YCCWPXHLHWIJJB-OAHLLOKOSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115156438 847476121 /nfs/dbraw/zinc/47/61/21/847476121.db2.gz NYUGOKROCWYLKI-FOLVSLTJSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200696138 847680184 /nfs/dbraw/zinc/68/01/84/847680184.db2.gz HYKJNVMPNJAVKX-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200794828 847694046 /nfs/dbraw/zinc/69/40/46/847694046.db2.gz FXCVXJQVYJANHN-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796051 847694286 /nfs/dbraw/zinc/69/42/86/847694286.db2.gz RQOOXRDZCYWFOO-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CCCO1 ZINC001201405087 847775760 /nfs/dbraw/zinc/77/57/60/847775760.db2.gz ZZFLBGHQYDCFFU-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001273893233 847776985 /nfs/dbraw/zinc/77/69/85/847776985.db2.gz FEQBQVYFAIMROX-ZBFHGGJFSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001273912848 847827601 /nfs/dbraw/zinc/82/76/01/847827601.db2.gz ZJHYGJLNHVPPPQ-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001273912865 847827660 /nfs/dbraw/zinc/82/76/60/847827660.db2.gz ZSFSPJRAHXOCLU-OAHLLOKOSA-N 2 0 283.416 0.457 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202166078 847861378 /nfs/dbraw/zinc/86/13/78/847861378.db2.gz UXNSEMFUPXDOTK-CQSZACIVSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001252465665 847975674 /nfs/dbraw/zinc/97/56/74/847975674.db2.gz IUEUFUVAGYHJDC-CQSZACIVSA-N 2 0 256.390 0.824 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001273975413 848163713 /nfs/dbraw/zinc/16/37/13/848163713.db2.gz RMQQVYOMQIWLEB-UHFFFAOYSA-N 2 0 295.427 0.912 20 30 CCEDRP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614107 848523536 /nfs/dbraw/zinc/52/35/36/848523536.db2.gz BBZGVANRGWRKPD-JKSUJKDBSA-N 2 0 295.427 0.409 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001274731717 848554229 /nfs/dbraw/zinc/55/42/29/848554229.db2.gz DIHVEYXAUFWGDM-AWEZNQCLSA-N 2 0 295.427 0.605 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001274787670 848567579 /nfs/dbraw/zinc/56/75/79/848567579.db2.gz RLSQIGGWQRBZJS-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001275976323 848878237 /nfs/dbraw/zinc/87/82/37/848878237.db2.gz BSUVQPYCSBFHME-OLZOCXBDSA-N 2 0 253.390 0.642 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001039042356 850136326 /nfs/dbraw/zinc/13/63/26/850136326.db2.gz QLGFVJFBVGVXKF-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296579 850424194 /nfs/dbraw/zinc/42/41/94/850424194.db2.gz JPXXAZDPTKTDMN-INMHGKMJSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045445086 851261380 /nfs/dbraw/zinc/26/13/80/851261380.db2.gz SLVCFKDLCQCNII-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863004 852087311 /nfs/dbraw/zinc/08/73/11/852087311.db2.gz CUZYXAGYNREIED-XHSDSOJGSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170726 852182850 /nfs/dbraw/zinc/18/28/50/852182850.db2.gz CHYRGLAPFXHVAT-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392189 852255187 /nfs/dbraw/zinc/25/51/87/852255187.db2.gz VVDONHDEEFFCGR-ZNMIVQPWSA-N 2 0 293.411 0.568 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994685 852417516 /nfs/dbraw/zinc/41/75/16/852417516.db2.gz VDUFBEQYPQNPPG-SOUVJXGZSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713207 852644181 /nfs/dbraw/zinc/64/41/81/852644181.db2.gz SXBFBDCFJHEGTR-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001054735857 853004851 /nfs/dbraw/zinc/00/48/51/853004851.db2.gz KNOURJHPQRZBKS-STQMWFEESA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050181207 853332203 /nfs/dbraw/zinc/33/22/03/853332203.db2.gz GBRHIBIUYDGQGF-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050726762 853420450 /nfs/dbraw/zinc/42/04/50/853420450.db2.gz BLBZNINSEOPINR-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001276386735 854523750 /nfs/dbraw/zinc/52/37/50/854523750.db2.gz KYUTUDREMXFEHX-UHFFFAOYSA-N 2 0 281.400 0.170 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610850 854613775 /nfs/dbraw/zinc/61/37/75/854613775.db2.gz GCPZAHSQHXHUHP-QLFBSQMISA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001074710907 854768664 /nfs/dbraw/zinc/76/86/64/854768664.db2.gz LAOCWBQVVACRQZ-RWMBFGLXSA-N 2 0 251.374 0.539 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1C ZINC001074832413 854789947 /nfs/dbraw/zinc/78/99/47/854789947.db2.gz MHSQTBACNMELOP-AJNGGQMLSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001098393807 854861469 /nfs/dbraw/zinc/86/14/69/854861469.db2.gz DEAIBDWAURDKLW-YJNKXOJESA-N 2 0 275.396 0.683 20 30 CCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100084832 855098066 /nfs/dbraw/zinc/09/80/66/855098066.db2.gz BPOPRNRGZSDFPW-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132690 855104774 /nfs/dbraw/zinc/10/47/74/855104774.db2.gz XMRPWWFXWXMQDQ-ZIAGYGMSSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100188088 855113310 /nfs/dbraw/zinc/11/33/10/855113310.db2.gz YYAVZCFVEMOVIF-YMAMQOFZSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637391 855201629 /nfs/dbraw/zinc/20/16/29/855201629.db2.gz PTLZMJGIHXIWKE-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351500 855284762 /nfs/dbraw/zinc/28/47/62/855284762.db2.gz HXXDTMDOIPHFLK-ZBFHGGJFSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046094 855411480 /nfs/dbraw/zinc/41/14/80/855411480.db2.gz MQQNQMISBXXDNZ-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511058 855442933 /nfs/dbraw/zinc/44/29/33/855442933.db2.gz HOGZHWJQDGLMCS-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001118810710 856450182 /nfs/dbraw/zinc/45/01/82/856450182.db2.gz XLUWGCXSMYFGFH-ZFWWWQNUSA-N 2 0 261.369 0.329 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC001120472422 857082145 /nfs/dbraw/zinc/08/21/45/857082145.db2.gz MMRXMQPUIGOJJX-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCF)CC2)CC1 ZINC001323616185 912451164 /nfs/dbraw/zinc/45/11/64/912451164.db2.gz IXXUYRLCLDZVLE-UHFFFAOYSA-N 2 0 295.402 0.930 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001496208426 891938661 /nfs/dbraw/zinc/93/86/61/891938661.db2.gz WWERSYQKDQOTOT-OLZOCXBDSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001480979842 892009502 /nfs/dbraw/zinc/00/95/02/892009502.db2.gz YSJWUEWCNMSQOP-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001482235383 893625979 /nfs/dbraw/zinc/62/59/79/893625979.db2.gz CWUUXFBHXUGWEM-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482366156 893921447 /nfs/dbraw/zinc/92/14/47/893921447.db2.gz OVMPNQPUQARUSU-GJZGRUSLSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001482555055 894234839 /nfs/dbraw/zinc/23/48/39/894234839.db2.gz OWAXNKCGEJHPTE-CYBMUJFWSA-N 2 0 253.390 0.692 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482570905 894254976 /nfs/dbraw/zinc/25/49/76/894254976.db2.gz PGUHUWCPMOBHRD-ZIAGYGMSSA-N 2 0 265.401 0.692 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482571502 894256268 /nfs/dbraw/zinc/25/62/68/894256268.db2.gz SOHMGOZDGDSWDS-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCF)CC1 ZINC001507161498 895439379 /nfs/dbraw/zinc/43/93/79/895439379.db2.gz LEXSMGXSBQYBFQ-CYBMUJFWSA-N 2 0 283.391 0.738 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507503840 895625818 /nfs/dbraw/zinc/62/58/18/895625818.db2.gz JULCYBHOQXIWTG-ZIAGYGMSSA-N 2 0 283.416 0.313 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483700541 895881901 /nfs/dbraw/zinc/88/19/01/895881901.db2.gz CNDUDLQRCHCUQY-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001326603211 914040010 /nfs/dbraw/zinc/04/00/10/914040010.db2.gz HJRIVIXGWDIIJY-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001484184747 896223445 /nfs/dbraw/zinc/22/34/45/896223445.db2.gz ZTHZKWVVURHILA-UHFFFAOYSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001484410358 896379741 /nfs/dbraw/zinc/37/97/41/896379741.db2.gz AGHAGGNOMBQXQX-GASCZTMLSA-N 2 0 277.412 0.742 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001484691967 896536892 /nfs/dbraw/zinc/53/68/92/896536892.db2.gz AETXWYGZCSUICX-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484688872 896544564 /nfs/dbraw/zinc/54/45/64/896544564.db2.gz OEMJZSNDKHXIPA-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001484688873 896546617 /nfs/dbraw/zinc/54/66/17/896546617.db2.gz OEMJZSNDKHXIPA-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001484842538 896621335 /nfs/dbraw/zinc/62/13/35/896621335.db2.gz UVVCILIKOPYMCZ-INIZCTEOSA-N 2 0 295.427 0.600 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484950015 896678679 /nfs/dbraw/zinc/67/86/79/896678679.db2.gz QXGQYDBPMIEIHX-AWEZNQCLSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001485365956 896997605 /nfs/dbraw/zinc/99/76/05/896997605.db2.gz PQYDSVIVNUFCLT-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485827793 897472940 /nfs/dbraw/zinc/47/29/40/897472940.db2.gz REXPPMJGNQZCLV-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032633918 897853499 /nfs/dbraw/zinc/85/34/99/897853499.db2.gz AIOJXIKWHAYXJX-AVGNSLFASA-N 2 0 251.374 0.798 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001486034674 898623005 /nfs/dbraw/zinc/62/30/05/898623005.db2.gz SVERIPGFTBBTCC-ZDUSSCGKSA-N 2 0 283.416 0.054 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486277152 898735951 /nfs/dbraw/zinc/73/59/51/898735951.db2.gz DHBLVRFYJOKNBD-HZSPNIEDSA-N 2 0 283.416 0.312 20 30 CCEDRP C=CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOC ZINC001486429721 898869009 /nfs/dbraw/zinc/86/90/09/898869009.db2.gz YMJHTOOUYWGDRS-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2C)CCO1 ZINC001327063132 914346826 /nfs/dbraw/zinc/34/68/26/914346826.db2.gz GZNXVIFTXXWUOS-CYBMUJFWSA-N 2 0 278.356 0.195 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001324272936 899642075 /nfs/dbraw/zinc/64/20/75/899642075.db2.gz FBVSCTWFIVXLIS-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490700472 900710242 /nfs/dbraw/zinc/71/02/42/900710242.db2.gz LOUHTIYNHGQUPW-CQSZACIVSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491125805 903388263 /nfs/dbraw/zinc/38/82/63/903388263.db2.gz OVMMETCUNFJWRK-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331330663 903973448 /nfs/dbraw/zinc/97/34/48/903973448.db2.gz PTDQHEKZCPSHPP-FNOJUICISA-N 2 0 262.357 0.074 20 30 CCEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC001331689754 904007777 /nfs/dbraw/zinc/00/77/77/904007777.db2.gz OEFHWNINIJATOU-ZYHUDNBSSA-N 2 0 252.362 0.512 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001281613719 904311588 /nfs/dbraw/zinc/31/15/88/904311588.db2.gz RTGQBTGTTWLSPP-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001281635023 904314016 /nfs/dbraw/zinc/31/40/16/904314016.db2.gz QTFRKFGOWUATBD-AWEZNQCLSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281643613 904317964 /nfs/dbraw/zinc/31/79/64/904317964.db2.gz XWEJKJOIQOUXJY-CQSZACIVSA-N 2 0 295.427 0.457 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001281770509 904344803 /nfs/dbraw/zinc/34/48/03/904344803.db2.gz MOGHMSXCIADVMW-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001281968962 904378738 /nfs/dbraw/zinc/37/87/38/904378738.db2.gz RNGGDQRXOIMZJJ-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282066894 904404577 /nfs/dbraw/zinc/40/45/77/904404577.db2.gz TVAUXOLJEATLTB-HSBZDZAISA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001282735291 904528903 /nfs/dbraw/zinc/52/89/03/904528903.db2.gz LPBTYOPIQCZRCN-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001284819150 905440568 /nfs/dbraw/zinc/44/05/68/905440568.db2.gz ZZHNPURCWQQQEF-IYXRBSQSSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317536104 908631057 /nfs/dbraw/zinc/63/10/57/908631057.db2.gz VEUJIZRYWJWSGC-CYBMUJFWSA-N 2 0 251.374 0.706 20 30 CCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001316966755 908873815 /nfs/dbraw/zinc/87/38/15/908873815.db2.gz JQAFNXPDTSMPST-OAHLLOKOSA-N 2 0 294.443 0.391 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317115780 908991848 /nfs/dbraw/zinc/99/18/48/908991848.db2.gz UVBHGRLSDNTRAG-OKILXGFUSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317306249 909131400 /nfs/dbraw/zinc/13/14/00/909131400.db2.gz VHNAJGRXGGNCLH-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322801 909143612 /nfs/dbraw/zinc/14/36/12/909143612.db2.gz QQEGWTRZCYCLPC-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317445946 909212311 /nfs/dbraw/zinc/21/23/11/909212311.db2.gz ORSQXHXQOSOENW-AWEZNQCLSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317445947 909216016 /nfs/dbraw/zinc/21/60/16/909216016.db2.gz ORSQXHXQOSOENW-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)N1CC[NH+](C)CC1 ZINC001338468879 921477678 /nfs/dbraw/zinc/47/76/78/921477678.db2.gz ZAGKSCDNYPDZTJ-KGLIPLIRSA-N 2 0 263.389 0.655 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491474 909259857 /nfs/dbraw/zinc/25/98/57/909259857.db2.gz XRWCUZAJSWYABC-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP CC[C@@](O)(C[NH2+]CC#CC[NH+](C)C)C(F)(F)F ZINC001338490080 921482696 /nfs/dbraw/zinc/48/26/96/921482696.db2.gz YRZURISYNWISMH-SNVBAGLBSA-N 2 0 252.280 0.844 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360862 916577634 /nfs/dbraw/zinc/57/76/34/916577634.db2.gz UMZJPKKSACXURR-TUVASFSCSA-N 2 0 275.396 0.255 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001331468514 917355227 /nfs/dbraw/zinc/35/52/27/917355227.db2.gz BZGPXCAIVFWGDZ-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001331469984 917356225 /nfs/dbraw/zinc/35/62/25/917356225.db2.gz LWFRHOAIOYBJIA-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001331601127 917441621 /nfs/dbraw/zinc/44/16/21/917441621.db2.gz RPYXHQUNGHFQSO-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001331844082 917657797 /nfs/dbraw/zinc/65/77/97/917657797.db2.gz ZXBZTKQLNDRDMA-LSDHHAIUSA-N 2 0 297.443 0.894 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001331944480 917742883 /nfs/dbraw/zinc/74/28/83/917742883.db2.gz QNXTZEJOIPLVRR-QWHCGFSZSA-N 2 0 251.374 0.539 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001331941909 917737613 /nfs/dbraw/zinc/73/76/13/917737613.db2.gz ZRLMDFMPWYRJOJ-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001332914601 918527762 /nfs/dbraw/zinc/52/77/62/918527762.db2.gz XKJKGKORQPTEPZ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001333075614 918638795 /nfs/dbraw/zinc/63/87/95/918638795.db2.gz NZBFEOSUKYWKSX-RUXDESIVSA-N 2 0 283.391 0.879 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001336892783 921086217 /nfs/dbraw/zinc/08/62/17/921086217.db2.gz BYONERXMPOFJMO-GOEBONIOSA-N 2 0 292.427 0.854 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341236455 922391132 /nfs/dbraw/zinc/39/11/32/922391132.db2.gz OQQXDFGRRZPIIB-NEPJUHHUSA-N 2 0 252.362 0.595 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC001341531447 922538040 /nfs/dbraw/zinc/53/80/40/922538040.db2.gz AFPCDXJAJOKMEZ-OAHLLOKOSA-N 2 0 273.380 0.498 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001341697887 922633748 /nfs/dbraw/zinc/63/37/48/922633748.db2.gz VKNVROGAMIIZLQ-RRFJBIMHSA-N 2 0 295.427 0.728 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001342352917 922924509 /nfs/dbraw/zinc/92/45/09/922924509.db2.gz IWEBHSRPBFECRX-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343034671 923165955 /nfs/dbraw/zinc/16/59/55/923165955.db2.gz SHVCVFGLNOPCDK-CMPLNLGQSA-N 2 0 257.765 0.811 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343110797 923204868 /nfs/dbraw/zinc/20/48/68/923204868.db2.gz VZNXCMUFPQPCGG-SCRDCRAPSA-N 2 0 264.373 0.656 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCC[NH2+]1 ZINC001345923069 924013640 /nfs/dbraw/zinc/01/36/40/924013640.db2.gz CZDQJEJECWOWBK-INIZCTEOSA-N 2 0 293.411 0.664 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001348793177 924805747 /nfs/dbraw/zinc/80/57/47/924805747.db2.gz IIKDWUZPFCOLJG-DZGCQCFKSA-N 2 0 292.427 0.141 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449146345 931083869 /nfs/dbraw/zinc/08/38/69/931083869.db2.gz LSVIIVBIHXJSTE-NSHDSACASA-N 2 0 277.796 0.100 20 30 CCEDRP N#CC1(C[C@@H](O)C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000600714986 362043966 /nfs/dbraw/zinc/04/39/66/362043966.db2.gz DBKBMUPGQGQDMS-CQSZACIVSA-N 2 0 281.400 0.743 20 30 CCEDRP N#CCN1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600719625 362045132 /nfs/dbraw/zinc/04/51/32/362045132.db2.gz CUBAPBLVOXCQSZ-CQSZACIVSA-N 2 0 266.389 0.021 20 30 CCEDRP C[NH+](C)CC1(C(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC000602099368 362486267 /nfs/dbraw/zinc/48/62/67/362486267.db2.gz XAPYDBXIGGBUOG-UHFFFAOYSA-N 2 0 264.373 0.432 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000602532557 362661722 /nfs/dbraw/zinc/66/17/22/362661722.db2.gz YFMXBNMHXTUPOV-VXGBXAGGSA-N 2 0 252.362 0.464 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876641 362857590 /nfs/dbraw/zinc/85/75/90/362857590.db2.gz HUXSWNMXNOTYLS-HNNXBMFYSA-N 2 0 296.415 0.137 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000265719016 352658931 /nfs/dbraw/zinc/65/89/31/352658931.db2.gz YJLBCKPTNMPJEY-AATRIKPKSA-N 2 0 251.374 0.871 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000491202124 358292492 /nfs/dbraw/zinc/29/24/92/358292492.db2.gz LWRNDZWKXDVRFL-HNNXBMFYSA-N 2 0 277.412 0.934 20 30 CCEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)CC2 ZINC000568987632 358722745 /nfs/dbraw/zinc/72/27/45/358722745.db2.gz GQZNOGGXBCUBDG-HNNXBMFYSA-N 2 0 284.363 0.567 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437649 360306051 /nfs/dbraw/zinc/30/60/51/360306051.db2.gz WVQOJDCVVJOLNJ-RYUDHWBXSA-N 2 0 266.389 0.902 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439499 360309301 /nfs/dbraw/zinc/30/93/01/360309301.db2.gz RIAAXZUCFSORJV-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP C[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440989 360310571 /nfs/dbraw/zinc/31/05/71/360310571.db2.gz KLVSOBADVASJLB-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000594452227 360316073 /nfs/dbraw/zinc/31/60/73/360316073.db2.gz FSOLJMSACSWSSK-GUTXKFCHSA-N 2 0 278.400 0.985 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594452676 360316551 /nfs/dbraw/zinc/31/65/51/360316551.db2.gz UIPWQCACZMENTJ-YUMQZZPRSA-N 2 0 266.267 0.403 20 30 CCEDRP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594466593 360320834 /nfs/dbraw/zinc/32/08/34/360320834.db2.gz AYSWSNXSDCIECM-LLVKDONJSA-N 2 0 254.378 0.902 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C[NH3+])C1 ZINC000595257919 360462133 /nfs/dbraw/zinc/46/21/33/360462133.db2.gz CNBWWGZVOPMMFO-FRRDWIJNSA-N 2 0 266.389 0.983 20 30 CCEDRP C[N@@H+]1CC[C@]2(C1)CCCN(CC(=O)NCC#N)C2 ZINC000595507973 360554589 /nfs/dbraw/zinc/55/45/89/360554589.db2.gz SKGAFMCCCOOMAP-ZDUSSCGKSA-N 2 0 250.346 0.044 20 30 CCEDRP N#Cc1ccc(CC[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000595891336 360692190 /nfs/dbraw/zinc/69/21/90/360692190.db2.gz CKZKOUSLKISFQC-UHFFFAOYSA-N 2 0 259.353 0.886 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000638099444 374664605 /nfs/dbraw/zinc/66/46/05/374664605.db2.gz ILYQMCVBGYOGPU-INIZCTEOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000638537287 375124250 /nfs/dbraw/zinc/12/42/50/375124250.db2.gz YEOFNYSILZVQPD-TZMCWYRMSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000638664427 375269127 /nfs/dbraw/zinc/26/91/27/375269127.db2.gz VDTMZMQDKDOWIQ-CYBMUJFWSA-N 2 0 255.362 0.166 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C[NH3+])OC)C(C)C ZINC000290127469 388901773 /nfs/dbraw/zinc/90/17/73/388901773.db2.gz ZVNQFUMCDGLPBD-KGLIPLIRSA-N 2 0 283.416 0.775 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC000293872749 388989202 /nfs/dbraw/zinc/98/92/02/388989202.db2.gz CAFOHMCSQJUNOD-UHFFFAOYSA-N 2 0 275.396 0.403 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000303386685 389081238 /nfs/dbraw/zinc/08/12/38/389081238.db2.gz WLJOMBPLRJQWDM-UHFFFAOYSA-N 2 0 281.448 0.671 20 30 CCEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)N1 ZINC000262640521 389291208 /nfs/dbraw/zinc/29/12/08/389291208.db2.gz HQWWTMICVGEZLN-MBNYWOFBSA-N 2 0 290.415 0.740 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060134 389872847 /nfs/dbraw/zinc/87/28/47/389872847.db2.gz OFIPKUFDPXOSAA-NEPJUHHUSA-N 2 0 282.388 0.448 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420299374 389980036 /nfs/dbraw/zinc/98/00/36/389980036.db2.gz AYSBTORRIJYKEF-XUXIUFHCSA-N 2 0 263.385 0.833 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC)CC1 ZINC000491374441 390112599 /nfs/dbraw/zinc/11/25/99/390112599.db2.gz RMXMAPHGDRPEFQ-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C=CCCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000644176320 390156280 /nfs/dbraw/zinc/15/62/80/390156280.db2.gz XNJWPWVONBFOJV-UHFFFAOYSA-N 2 0 291.461 0.708 20 30 CCEDRP CN1CCC[C@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556197748 390476233 /nfs/dbraw/zinc/47/62/33/390476233.db2.gz MGJJOKAPPNIKFK-ZDUSSCGKSA-N 2 0 270.340 0.785 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895345 390711616 /nfs/dbraw/zinc/71/16/16/390711616.db2.gz DKKKXUHCIHMAIT-OLZOCXBDSA-N 2 0 281.400 0.364 20 30 CCEDRP CC#CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567419224 390698583 /nfs/dbraw/zinc/69/85/83/390698583.db2.gz YMBXVZAGQPWBQB-UHFFFAOYSA-N 2 0 268.405 0.535 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190981727 130167978 /nfs/dbraw/zinc/16/79/78/130167978.db2.gz NKYXTENFXDCMCE-ZDUSSCGKSA-N 2 0 275.400 0.622 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754799 414762853 /nfs/dbraw/zinc/76/28/53/414762853.db2.gz ANYBZDQNACRLQO-GOEBONIOSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000662775216 414783515 /nfs/dbraw/zinc/78/35/15/414783515.db2.gz VTVPCYHTWNFJBR-KGLIPLIRSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662394649 414714181 /nfs/dbraw/zinc/71/41/81/414714181.db2.gz AMECJKKTVUVQLH-AWEZNQCLSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]1 ZINC000662793600 414801316 /nfs/dbraw/zinc/80/13/16/414801316.db2.gz YJRFKBFUNNHQSW-OAHLLOKOSA-N 2 0 263.385 0.991 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000518362989 260384143 /nfs/dbraw/zinc/38/41/43/260384143.db2.gz XSCDLBUQTOFUPS-UYSNPLJNSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110649816 261442870 /nfs/dbraw/zinc/44/28/70/261442870.db2.gz MFYVVUQBSAGBJM-JTQLQIEISA-N 2 0 268.361 0.057 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](O)C2)C[C@@H]1O ZINC000341905929 263365428 /nfs/dbraw/zinc/36/54/28/263365428.db2.gz SVARYCZAPJUCRI-SYMSYNOKSA-N 2 0 280.412 0.395 20 30 CCEDRP CC1CCN(C(=[NH2+])NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000171145567 329074883 /nfs/dbraw/zinc/07/48/83/329074883.db2.gz FMDRAGHJDUSHEL-AWEZNQCLSA-N 2 0 282.432 0.880 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])N1CCO[C@H](C)C1)C1CC1 ZINC000262448372 330013777 /nfs/dbraw/zinc/01/37/77/330013777.db2.gz JGGGJEBBFYXUQO-LLVKDONJSA-N 2 0 254.378 0.506 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262512791 330019021 /nfs/dbraw/zinc/01/90/21/330019021.db2.gz MLMXAYABOQQSMP-WCQYABFASA-N 2 0 286.445 0.243 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262764862 330029857 /nfs/dbraw/zinc/02/98/57/330029857.db2.gz FVMCPJNTNCDAHV-CYBMUJFWSA-N 2 0 278.400 0.423 20 30 CCEDRP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141635 330283492 /nfs/dbraw/zinc/28/34/92/330283492.db2.gz HGYGXYYRJZXGRE-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+](C)C1CC1 ZINC000424160824 330306329 /nfs/dbraw/zinc/30/63/29/330306329.db2.gz VBLDVEZUAHKOIZ-CMPLNLGQSA-N 2 0 252.362 0.606 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000424162097 330307270 /nfs/dbraw/zinc/30/72/70/330307270.db2.gz ZFUBGPRBZIJFJF-RYUDHWBXSA-N 2 0 250.346 0.360 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+](C)C)CC1 ZINC000490574316 332092705 /nfs/dbraw/zinc/09/27/05/332092705.db2.gz OQGQCVKWFJULDE-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000490876411 332123903 /nfs/dbraw/zinc/12/39/03/332123903.db2.gz UJAPYYLUUJHKBA-UHFFFAOYSA-N 2 0 286.379 0.377 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000491069171 332145300 /nfs/dbraw/zinc/14/53/00/332145300.db2.gz UCKBZVZPQXBVAZ-RRFJBIMHSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000491338040 332192350 /nfs/dbraw/zinc/19/23/50/332192350.db2.gz FUZTYEJFVVTFDM-KBPBESRZSA-N 2 0 278.400 0.335 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000491681483 332284727 /nfs/dbraw/zinc/28/47/27/332284727.db2.gz NOZVQPKZURYPAT-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000491728390 332311072 /nfs/dbraw/zinc/31/10/72/332311072.db2.gz MHHFHHPGLLMFSH-HUUCEWRRSA-N 2 0 292.427 0.677 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000575863949 335124990 /nfs/dbraw/zinc/12/49/90/335124990.db2.gz QILJKRYZJKQTGV-UONOGXRCSA-N 2 0 295.431 0.813 20 30 CCEDRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000581938476 336172969 /nfs/dbraw/zinc/17/29/69/336172969.db2.gz CDCFPTMGHWQIEA-MRXNPFEDSA-N 2 0 296.459 0.903 20 30 CCEDRP CCOCCC[N@@H+]1CCC(N=NC(N)=[NH2+])[C@@H](C)C1 ZINC000735223668 581629827 /nfs/dbraw/zinc/62/98/27/581629827.db2.gz FNWMXEAPXLVADU-JTQLQIEISA-N 2 0 255.366 0.594 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000733276810 581896465 /nfs/dbraw/zinc/89/64/65/581896465.db2.gz XKRNZVIWYXGDOV-HNNXBMFYSA-N 2 0 275.396 0.781 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+](C)C ZINC000837318947 613075151 /nfs/dbraw/zinc/07/51/51/613075151.db2.gz ZNCZCHWJCRIVAH-UHFFFAOYSA-N 2 0 254.378 0.192 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CCC([NH3+])CC1 ZINC000841910952 613075023 /nfs/dbraw/zinc/07/50/23/613075023.db2.gz VYXVNIZJRXALRD-UHFFFAOYSA-N 2 0 266.389 0.511 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891921304 613075146 /nfs/dbraw/zinc/07/51/46/613075146.db2.gz MQJWKRMNUZSOQO-UHFFFAOYSA-N 2 0 254.378 0.368 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876736853 613390484 /nfs/dbraw/zinc/39/04/84/613390484.db2.gz LEHUNXGJEHSVLO-ONGXEEELSA-N 2 0 257.765 0.809 20 30 CCEDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876532815 614119107 /nfs/dbraw/zinc/11/91/07/614119107.db2.gz BSCGAYYVOTXOIE-GJZGRUSLSA-N 2 0 286.379 0.845 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000970334424 612960919 /nfs/dbraw/zinc/96/09/19/612960919.db2.gz JPDQIWXVBBSTGZ-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000830301996 612964460 /nfs/dbraw/zinc/96/44/60/612964460.db2.gz WZMWHYKTLGPPFH-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000843268313 612965048 /nfs/dbraw/zinc/96/50/48/612965048.db2.gz HOARMKKFUPPEDX-AWEZNQCLSA-N 2 0 291.395 0.411 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939386865 612968964 /nfs/dbraw/zinc/96/89/64/612968964.db2.gz DXZLDADYRLCPHR-HUUCEWRRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCOCC1 ZINC000887122419 612970712 /nfs/dbraw/zinc/97/07/12/612970712.db2.gz XKTYGQJHNUYYBV-CQSZACIVSA-N 2 0 268.401 0.850 20 30 CCEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919023 613026448 /nfs/dbraw/zinc/02/64/48/613026448.db2.gz MEDNIRPXSDMPPP-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972992195 613038088 /nfs/dbraw/zinc/03/80/88/613038088.db2.gz PUCZGOOBUMHKQF-KGLIPLIRSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000823187427 613072997 /nfs/dbraw/zinc/07/29/97/613072997.db2.gz FKNCSIRMSJXLPB-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980412766 613082322 /nfs/dbraw/zinc/08/23/22/613082322.db2.gz NQSNNYXYZCBHOT-LSDHHAIUSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970928457 613117472 /nfs/dbraw/zinc/11/74/72/613117472.db2.gz LDXNTZKMZTZWCW-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000816954322 613129495 /nfs/dbraw/zinc/12/94/95/613129495.db2.gz ZCHPOGYJDHRKJN-GJZGRUSLSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000928655501 613132960 /nfs/dbraw/zinc/13/29/60/613132960.db2.gz RRIYBICRXHDFIL-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP CNC(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)=[NH+]C ZINC000849215111 613218837 /nfs/dbraw/zinc/21/88/37/613218837.db2.gz ODQKMTOPOMNICB-AWEZNQCLSA-N 2 0 276.384 0.548 20 30 CCEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621192 613229217 /nfs/dbraw/zinc/22/92/17/613229217.db2.gz PILJFKMVCWNETL-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970869366 613301834 /nfs/dbraw/zinc/30/18/34/613301834.db2.gz PLGZUEYFYUUFPQ-QWHCGFSZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959921209 613315697 /nfs/dbraw/zinc/31/56/97/613315697.db2.gz MDLGFIKAPRUUMQ-KBXIAJHMSA-N 2 0 273.380 0.008 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888980749 613363898 /nfs/dbraw/zinc/36/38/98/613363898.db2.gz OHKBKEFMEBPAPS-UHFFFAOYSA-N 2 0 282.432 0.200 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000907515639 613363941 /nfs/dbraw/zinc/36/39/41/613363941.db2.gz NRBJAKWEJYUGGI-ZIAGYGMSSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000901227141 613364516 /nfs/dbraw/zinc/36/45/16/613364516.db2.gz BJTHKVJJFUSREA-STQMWFEESA-N 2 0 285.457 0.998 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000908000459 613364820 /nfs/dbraw/zinc/36/48/20/613364820.db2.gz DTGZVBZYDGMVCA-UHFFFAOYSA-N 2 0 296.459 0.637 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000908541703 613365047 /nfs/dbraw/zinc/36/50/47/613365047.db2.gz VFLIOBBBYBLHQN-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862959577 613365957 /nfs/dbraw/zinc/36/59/57/613365957.db2.gz XOUYYNDRVXUJKS-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824084454 613366755 /nfs/dbraw/zinc/36/67/55/613366755.db2.gz GMHWGWWIVGTEFD-NEPJUHHUSA-N 2 0 253.390 0.949 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000876776500 613388024 /nfs/dbraw/zinc/38/80/24/613388024.db2.gz OLUPNYOMSNYODP-NWDGAFQWSA-N 2 0 291.823 0.929 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000876725240 613389829 /nfs/dbraw/zinc/38/98/29/613389829.db2.gz PWLJMUZGBJXNJT-LBPRGKRZSA-N 2 0 289.807 0.685 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000876772955 613389864 /nfs/dbraw/zinc/38/98/64/613389864.db2.gz JWEIXPQFOXAYMR-ONGXEEELSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000876871169 613390313 /nfs/dbraw/zinc/39/03/13/613390313.db2.gz URAWQHVYBZKRIY-VHSXEESVSA-N 2 0 259.781 0.961 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN2CCOC[C@@H]2CC)CCC[NH2+]1 ZINC000877432374 613422904 /nfs/dbraw/zinc/42/29/04/613422904.db2.gz CLXYEYLNJMKALI-GOEBONIOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875727138 613568717 /nfs/dbraw/zinc/56/87/17/613568717.db2.gz WRSSQHURGBXSFA-ZIAGYGMSSA-N 2 0 282.432 0.943 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000923366789 613586598 /nfs/dbraw/zinc/58/65/98/613586598.db2.gz ORFGJPORFBJSFF-UONOGXRCSA-N 2 0 253.390 0.293 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346300 613591028 /nfs/dbraw/zinc/59/10/28/613591028.db2.gz QYELELZKMCSLOM-KBPBESRZSA-N 2 0 283.416 0.633 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891522149 613674933 /nfs/dbraw/zinc/67/49/33/613674933.db2.gz NKYOHLLXYQBJQA-HAQNSBGRSA-N 2 0 266.389 0.673 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884213651 613675800 /nfs/dbraw/zinc/67/58/00/613675800.db2.gz HOOXJLNDXQTLOP-CYBMUJFWSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962279800 613837970 /nfs/dbraw/zinc/83/79/70/613837970.db2.gz KKYVTUMXTATITA-RMRHIDDWSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453101 613853518 /nfs/dbraw/zinc/85/35/18/613853518.db2.gz JOQZITMVISNUMU-OLZOCXBDSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000963653770 613858589 /nfs/dbraw/zinc/85/85/89/613858589.db2.gz PQAWTAKZTAKOCP-SWAPUOLTSA-N 2 0 293.411 0.520 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000872302067 614549369 /nfs/dbraw/zinc/54/93/69/614549369.db2.gz ZICPOBPEBHDKPH-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP CCC[N@H+](CC)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852870042 614569526 /nfs/dbraw/zinc/56/95/26/614569526.db2.gz OMLNFPKTXQYRTR-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP CCN(CCC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884317994 615042077 /nfs/dbraw/zinc/04/20/77/615042077.db2.gz IZHIMYWMJDIOKT-BBBYJDLNSA-N 2 0 292.427 0.926 20 30 CCEDRP CC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852855049 615100231 /nfs/dbraw/zinc/10/02/31/615100231.db2.gz UWRLEMDHFIIACF-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884176321 615132123 /nfs/dbraw/zinc/13/21/23/615132123.db2.gz CENYDMQELWYASJ-MYMJJRTCSA-N 2 0 290.411 0.726 20 30 CCEDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884176417 615867505 /nfs/dbraw/zinc/86/75/05/615867505.db2.gz FGBYMRUDCYLKFR-MFOWVQHXSA-N 2 0 292.427 0.830 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1C[NH+](C)C ZINC000866012912 615931445 /nfs/dbraw/zinc/93/14/45/615931445.db2.gz VSYGLLMRQRQZJB-CHWSQXEVSA-N 2 0 288.399 0.524 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884196572 615989525 /nfs/dbraw/zinc/98/95/25/615989525.db2.gz VEGVYAPXWUSZNC-IOSBVQAASA-N 2 0 290.411 0.582 20 30 CCEDRP CN(CCC[NH3+])C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867961557 616074184 /nfs/dbraw/zinc/07/41/84/616074184.db2.gz XUFLMDWARCNECM-AWEZNQCLSA-N 2 0 272.352 0.552 20 30 CCEDRP COCC[NH2+]C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852896155 616506486 /nfs/dbraw/zinc/50/64/86/616506486.db2.gz UJCBWCGNMFRWOT-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841849712 617052400 /nfs/dbraw/zinc/05/24/00/617052400.db2.gz ICFKNARPTSZXTO-MXWKQRLJSA-N 2 0 252.362 0.238 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026348338 625408342 /nfs/dbraw/zinc/40/83/42/625408342.db2.gz FMUCTEAHAPMHQU-HRCADAONSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026605468 625480465 /nfs/dbraw/zinc/48/04/65/625480465.db2.gz PYDVGMCENBZQLE-IYXRBSQSSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001022836950 622789368 /nfs/dbraw/zinc/78/93/68/622789368.db2.gz GZTSTCXVFXRTMH-LJISPDSOSA-N 2 0 275.396 0.873 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023749903 623128461 /nfs/dbraw/zinc/12/84/61/623128461.db2.gz CMZPFTDZKDZDAR-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001020679007 624575435 /nfs/dbraw/zinc/57/54/35/624575435.db2.gz FQYQGKNDHCAKEC-HDJSIYSDSA-N 2 0 263.385 0.588 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC1 ZINC000261968228 624929918 /nfs/dbraw/zinc/92/99/18/624929918.db2.gz CFNYOHVCMNHHEL-NWDGAFQWSA-N 2 0 254.378 0.412 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001022435782 624992909 /nfs/dbraw/zinc/99/29/09/624992909.db2.gz AHFOAYIQKDGDKH-BETUJISGSA-N 2 0 268.320 0.818 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556196 630750295 /nfs/dbraw/zinc/75/02/95/630750295.db2.gz ZEHXOXKTWQRSMI-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261874136 631665399 /nfs/dbraw/zinc/66/53/99/631665399.db2.gz PNTPMVMUEBDPGJ-WCQYABFASA-N 2 0 266.389 0.554 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC000986353701 632745344 /nfs/dbraw/zinc/74/53/44/632745344.db2.gz JDPQZMZHVSISNX-JSGCOSHPSA-N 2 0 263.385 0.683 20 30 CCEDRP CN1CCC[NH+]=C1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000263197498 632838332 /nfs/dbraw/zinc/83/83/32/632838332.db2.gz WQNACSHPEGBJCK-UHFFFAOYSA-N 2 0 267.421 0.294 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H]1C ZINC000987577411 632881897 /nfs/dbraw/zinc/88/18/97/632881897.db2.gz UMASTVOIJHBCOY-GDBMZVCRSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CCN1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989586136 633332833 /nfs/dbraw/zinc/33/28/33/633332833.db2.gz IGENVLJCRPLSIL-UHFFFAOYSA-N 2 0 274.368 0.520 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010369895 650207810 /nfs/dbraw/zinc/20/78/10/650207810.db2.gz PPVAWGNGXDORQO-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC#CC[NH+](C)C ZINC000913518770 636835103 /nfs/dbraw/zinc/83/51/03/636835103.db2.gz AFZXGDLQUGELMO-BETUJISGSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996617548 638824775 /nfs/dbraw/zinc/82/47/75/638824775.db2.gz BQTKWSFQLDUULG-HUUCEWRRSA-N 2 0 291.395 0.063 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996620443 638824795 /nfs/dbraw/zinc/82/47/95/638824795.db2.gz NROBYNGTOIUICZ-CABCVRRESA-N 2 0 293.411 0.616 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996666956 638827432 /nfs/dbraw/zinc/82/74/32/638827432.db2.gz VBMQFGNEAOXRBA-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998725078 638936317 /nfs/dbraw/zinc/93/63/17/638936317.db2.gz VKTWZLOSNZKCED-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000999760193 638994178 /nfs/dbraw/zinc/99/41/78/638994178.db2.gz PTCURWJEIYRGHY-XUJLQICISA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001000851991 639182024 /nfs/dbraw/zinc/18/20/24/639182024.db2.gz PPSGLBMFGUORRO-OAHLLOKOSA-N 2 0 275.396 0.852 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001001447913 639304683 /nfs/dbraw/zinc/30/46/83/639304683.db2.gz DVUPDEXQDBDBJX-HNNXBMFYSA-N 2 0 275.396 0.710 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001447793 639306070 /nfs/dbraw/zinc/30/60/70/639306070.db2.gz CUYZKUKLGPJZIV-HNNXBMFYSA-N 2 0 275.396 0.710 20 30 CCEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923478670 640159146 /nfs/dbraw/zinc/15/91/46/640159146.db2.gz FZWZREAQJXBWFT-LSDHHAIUSA-N 2 0 289.379 0.969 20 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C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+](C)C ZINC000876735519 646653712 /nfs/dbraw/zinc/65/37/12/646653712.db2.gz PAXYNBCPPFOWKX-XHDPSFHLSA-N 2 0 286.379 0.811 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1([NH3+])CCCC1)C2 ZINC000884403960 647729291 /nfs/dbraw/zinc/72/92/91/647729291.db2.gz XDDSXAWGKKJGKM-LXVYMNJGSA-N 2 0 276.384 0.513 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303784719 649824992 /nfs/dbraw/zinc/82/49/92/649824992.db2.gz PQPJUBCDILBYFB-CQSZACIVSA-N 2 0 283.464 0.915 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000303897846 649826636 /nfs/dbraw/zinc/82/66/36/649826636.db2.gz VEYPPLIPBWNJOE-AWEZNQCLSA-N 2 0 281.448 0.740 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303911394 649826739 /nfs/dbraw/zinc/82/67/39/649826739.db2.gz ZOBIMIPEPQSIRO-ZDUSSCGKSA-N 2 0 269.437 0.717 20 30 CCEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCSCC1 ZINC000303901223 649826953 /nfs/dbraw/zinc/82/69/53/649826953.db2.gz SOFSAYDQNAYRDI-UHFFFAOYSA-N 2 0 286.445 0.197 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+](C)C1CC1 ZINC000303979487 649827529 /nfs/dbraw/zinc/82/75/29/649827529.db2.gz NGSIDLFFJVKVTF-TZMCWYRMSA-N 3 0 281.448 0.858 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266352849 790570218 /nfs/dbraw/zinc/57/02/18/790570218.db2.gz JFDVEVIGSPFVKB-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266548583 790910514 /nfs/dbraw/zinc/91/05/14/790910514.db2.gz CREWZCJCPJUAOI-GJZGRUSLSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266571516 790943295 /nfs/dbraw/zinc/94/32/95/790943295.db2.gz WPPXSXDPRQAOGC-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267086776 791521592 /nfs/dbraw/zinc/52/15/92/791521592.db2.gz QNABVBMMXPVPRA-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CCN(C[C@H](C)[NH3+])CC1 ZINC001236434952 806591406 /nfs/dbraw/zinc/59/14/06/806591406.db2.gz YXAZAFXLTDQBRG-HNNXBMFYSA-N 2 0 266.433 0.625 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001278105841 806674868 /nfs/dbraw/zinc/67/48/68/806674868.db2.gz PTNHBHXLPABFMU-STQMWFEESA-N 2 0 269.389 0.114 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001121928368 799097607 /nfs/dbraw/zinc/09/76/07/799097607.db2.gz NXMPVWFOMTWEMK-CABCVRRESA-N 2 0 296.459 0.670 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122233034 799176043 /nfs/dbraw/zinc/17/60/43/799176043.db2.gz DVDKQHUAKLSADA-ZDUSSCGKSA-N 2 0 281.400 0.651 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202857206 799748238 /nfs/dbraw/zinc/74/82/38/799748238.db2.gz PKPDWXQKYUMFOE-CHWSQXEVSA-N 2 0 286.379 0.993 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480286 800337872 /nfs/dbraw/zinc/33/78/72/800337872.db2.gz JZPNWTBDBFWETF-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150772396 800366449 /nfs/dbraw/zinc/36/64/49/800366449.db2.gz SAUVYKGGMGZZAP-AWEZNQCLSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890284 801254787 /nfs/dbraw/zinc/25/47/87/801254787.db2.gz LCKQXSSATCKTDQ-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C[NH3+])[C@H]2C)C1 ZINC001157840428 801497705 /nfs/dbraw/zinc/49/77/05/801497705.db2.gz AUORGQGRXUZHFB-DYEKYZERSA-N 2 0 251.374 0.880 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@@H](C[NH3+])[C@H]2C)CCC[NH2+]1 ZINC001157845149 801499245 /nfs/dbraw/zinc/49/92/45/801499245.db2.gz ZZGYWSCWXWNIMI-VNHYZAJKSA-N 2 0 263.385 0.718 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001157886193 801510625 /nfs/dbraw/zinc/51/06/25/801510625.db2.gz BNVKLUWTRLCBMB-ZDUSSCGKSA-N 2 0 251.374 0.588 20 30 CCEDRP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)c(F)cc1C#N ZINC001157916213 801521083 /nfs/dbraw/zinc/52/10/83/801521083.db2.gz OMHYMVNIVDVJRY-UHFFFAOYSA-N 2 0 292.318 0.695 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036294 801557562 /nfs/dbraw/zinc/55/75/62/801557562.db2.gz BOEXDFIBAIIDLU-GJZGRUSLSA-N 2 0 277.412 0.980 20 30 CCEDRP Cc1cc(NCCC[NH2+]CCCC[NH3+])nc(C#N)n1 ZINC001162292758 802299970 /nfs/dbraw/zinc/29/99/70/802299970.db2.gz PQARRRUZEMXHHV-UHFFFAOYSA-N 2 0 262.361 0.209 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001278855792 808339396 /nfs/dbraw/zinc/33/93/96/808339396.db2.gz VJCOELQFRCJESM-RBSFLKMASA-N 2 0 295.427 0.101 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265024569 809695434 /nfs/dbraw/zinc/69/54/34/809695434.db2.gz NHAKARRECPUKSD-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164578029 802768301 /nfs/dbraw/zinc/76/83/01/802768301.db2.gz ZLJNIJDQMUBGCR-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165764090 802863511 /nfs/dbraw/zinc/86/35/11/802863511.db2.gz LSGABIOIJSRYQG-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C=C(C)C[NH2+]CCCN(C)C(=O)Cn1ccnc1 ZINC001276410658 803027513 /nfs/dbraw/zinc/02/75/13/803027513.db2.gz HAJRXPPZWORLKX-UHFFFAOYSA-N 2 0 250.346 0.897 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210221273 803642464 /nfs/dbraw/zinc/64/24/64/803642464.db2.gz YXIQJTXKWMIZKO-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837344 803632359 /nfs/dbraw/zinc/63/23/59/803632359.db2.gz WONZJJMDEXOQQV-UKRRQHHQSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298652 803646592 /nfs/dbraw/zinc/64/65/92/803646592.db2.gz QKXARPSYLDYQTN-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001210811034 803660943 /nfs/dbraw/zinc/66/09/43/803660943.db2.gz IPNLQGAWBVEEKG-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646095 803754701 /nfs/dbraw/zinc/75/47/01/803754701.db2.gz KWEYUHXNJBEPHP-FVQBIDKESA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461168 803811432 /nfs/dbraw/zinc/81/14/32/803811432.db2.gz UQBPPCASYKYVLY-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000402125691 803812658 /nfs/dbraw/zinc/81/26/58/803812658.db2.gz CNSNTVKDEZZRHD-GXTWGEPZSA-N 2 0 275.352 0.579 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216498889 803840022 /nfs/dbraw/zinc/84/00/22/803840022.db2.gz AISVPOOIFMQDLU-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750076 803853587 /nfs/dbraw/zinc/85/35/87/803853587.db2.gz NVDBAVSWLSXBMO-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C[N+](C)(C)C[C@@H](CC#N)OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217865412 803921523 /nfs/dbraw/zinc/92/15/23/803921523.db2.gz JRKZVJGEKXNMBO-KBXIAJHMSA-N 2 0 282.408 0.758 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218625182 804043170 /nfs/dbraw/zinc/04/31/70/804043170.db2.gz UPPDIYXXTUFLGI-NOZJJQNGSA-N 2 0 276.365 0.757 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)n1ccc(=[NH2+])c(N)c1 ZINC001218693773 804080553 /nfs/dbraw/zinc/08/05/53/804080553.db2.gz OCVIMCVEYKWAOQ-ZDUSSCGKSA-N 2 0 281.319 0.632 20 30 CCEDRP COc1cccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1C#N ZINC001218977867 804170929 /nfs/dbraw/zinc/17/09/29/804170929.db2.gz IQLJUYBCEYSXOI-LLVKDONJSA-N 2 0 286.335 0.314 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(O)c1 ZINC001218988320 804175090 /nfs/dbraw/zinc/17/50/90/804175090.db2.gz IEXFFVIXZBWZGV-JTQLQIEISA-N 2 0 262.313 0.659 20 30 CCEDRP N#CC1(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1 ZINC001219632549 804381511 /nfs/dbraw/zinc/38/15/11/804381511.db2.gz OTHQBCZNFJKFFS-GFCCVEGCSA-N 2 0 276.384 0.671 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)CCC[NH2+]1 ZINC001219648923 804391504 /nfs/dbraw/zinc/39/15/04/804391504.db2.gz CGAUMNZANHJXPP-VNHYZAJKSA-N 2 0 263.385 0.494 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219819003 804427833 /nfs/dbraw/zinc/42/78/33/804427833.db2.gz XLEAWSOWKKNESB-IPYPFGDCSA-N 2 0 257.337 0.556 20 30 CCEDRP CC(=O)/C=C(/C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219910192 804445057 /nfs/dbraw/zinc/44/50/57/804445057.db2.gz RYYVVILWNFUWMH-ZWLSGLHFSA-N 2 0 265.357 0.470 20 30 CCEDRP C=C[C@H]1C[C@]1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(=O)OCC ZINC001220570906 804625383 /nfs/dbraw/zinc/62/53/83/804625383.db2.gz CWUQQLZMYGRAPF-SLEUVZQESA-N 2 0 297.399 0.327 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221292280 804768530 /nfs/dbraw/zinc/76/85/30/804768530.db2.gz IVUJIFKYWYTWPZ-CMPLNLGQSA-N 2 0 272.418 0.450 20 30 CCEDRP C=CC[NH2+]CCN1CC2(C[C@@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215463 804883333 /nfs/dbraw/zinc/88/33/33/804883333.db2.gz FCVRVYSDSWXHAV-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC001222874594 804936346 /nfs/dbraw/zinc/93/63/46/804936346.db2.gz GTNAJAUIVCAFIM-UHFFFAOYSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001276946661 805009358 /nfs/dbraw/zinc/00/93/58/805009358.db2.gz ARTUTLHINSZKSH-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCOC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052854 807134449 /nfs/dbraw/zinc/13/44/49/807134449.db2.gz PGBSXRNTHOJLGH-MJBXVCDLSA-N 2 0 254.374 0.481 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001246513194 807270823 /nfs/dbraw/zinc/27/08/23/807270823.db2.gz QRUBNWCLOYLBJB-WOPDTQHZSA-N 2 0 252.362 0.512 20 30 CCEDRP C[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C#N)C2)CC[C@@H]1C[NH3+] ZINC001246558633 807288788 /nfs/dbraw/zinc/28/87/88/807288788.db2.gz NOKGMNSBYCRBPL-MQYQWHSLSA-N 2 0 250.390 0.937 20 30 CCEDRP N#Cc1cccc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)c1 ZINC001247830565 807493503 /nfs/dbraw/zinc/49/35/03/807493503.db2.gz OEPOUSOPYRPWPF-GFCCVEGCSA-N 2 0 281.319 0.885 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=S)NCC[NH+](C)C ZINC001249849333 807577618 /nfs/dbraw/zinc/57/76/18/807577618.db2.gz GRYKVEVCRLRWHY-LBPRGKRZSA-N 2 0 270.446 0.663 20 30 CCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278582633 807605526 /nfs/dbraw/zinc/60/55/26/807605526.db2.gz NJSGOHDOORWPQI-ZBFHGGJFSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001251881626 807732243 /nfs/dbraw/zinc/73/22/43/807732243.db2.gz YNNCOLTXZIRDBX-HRCADAONSA-N 2 0 282.428 0.955 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001253577201 808086446 /nfs/dbraw/zinc/08/64/46/808086446.db2.gz KKNQWCUOPBPLBX-HNNXBMFYSA-N 2 0 290.411 0.884 20 30 CCEDRP C=C[C@H](O)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001253599741 808095263 /nfs/dbraw/zinc/09/52/63/808095263.db2.gz SHFPKMVTEGPYJJ-KRWDZBQOSA-N 2 0 289.423 0.941 20 30 CCEDRP C=C[C@@H](CO)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256686789 808551372 /nfs/dbraw/zinc/55/13/72/808551372.db2.gz USXCGAKIGLSRNK-HSBZDZAISA-N 2 0 254.374 0.766 20 30 CCEDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261458535 808980840 /nfs/dbraw/zinc/98/08/40/808980840.db2.gz BUESEZPPYZDJCZ-QWHCGFSZSA-N 2 0 266.389 0.808 20 30 CCEDRP COC1CC[NH+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001261552563 809019167 /nfs/dbraw/zinc/01/91/67/809019167.db2.gz VTDQAVBWBZXPIJ-CQSZACIVSA-N 2 0 296.415 0.625 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206482 815260160 /nfs/dbraw/zinc/26/01/60/815260160.db2.gz QJGAEGKXVNKXHT-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C[N@@H+]1CCCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001263274637 809501853 /nfs/dbraw/zinc/50/18/53/809501853.db2.gz HWQVRISANJDLEO-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)[C@H]2C1 ZINC001263318696 809509330 /nfs/dbraw/zinc/50/93/30/809509330.db2.gz RTKIKOVROYCUNR-KKUMJFAQSA-N 2 0 275.396 0.446 20 30 CCEDRP CC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266174654 809955411 /nfs/dbraw/zinc/95/54/11/809955411.db2.gz PKKNKNNBPBVMBH-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267734509 811703799 /nfs/dbraw/zinc/70/37/99/811703799.db2.gz LPZPXIYAEUFHCE-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268028638 812015610 /nfs/dbraw/zinc/01/56/10/812015610.db2.gz KSLMYMFORHUMKC-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000092493005 812049366 /nfs/dbraw/zinc/04/93/66/812049366.db2.gz STFSYTJODOTNCI-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268403710 812548849 /nfs/dbraw/zinc/54/88/49/812548849.db2.gz KXRCUQVZMSWHOB-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CCc1ccccc1 ZINC001268662120 812990378 /nfs/dbraw/zinc/99/03/78/812990378.db2.gz XYZNLULZWJMHLF-OAHLLOKOSA-N 2 0 287.407 0.888 20 30 CCEDRP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268687170 813010379 /nfs/dbraw/zinc/01/03/79/813010379.db2.gz ZGLREKDDGJURBA-GXTWGEPZSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268755993 813067267 /nfs/dbraw/zinc/06/72/67/813067267.db2.gz GQLJNFIQFNMDMY-KGLIPLIRSA-N 2 0 283.416 0.577 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636228 813072224 /nfs/dbraw/zinc/07/22/24/813072224.db2.gz MKZUEFQGFFZZAX-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001269273112 813301340 /nfs/dbraw/zinc/30/13/40/813301340.db2.gz RJSGHQZZQMNHSY-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001269634265 813454959 /nfs/dbraw/zinc/45/49/59/813454959.db2.gz MDOLJZSFKZFTFT-CQSZACIVSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780932 813497332 /nfs/dbraw/zinc/49/73/32/813497332.db2.gz OKIIDHCSGTXVML-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001270437129 813764174 /nfs/dbraw/zinc/76/41/74/813764174.db2.gz WNYNEEIROXOSHW-CQSZACIVSA-N 2 0 297.443 0.873 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573764 814169241 /nfs/dbraw/zinc/16/92/41/814169241.db2.gz DABBLOQHGLOYPX-HRCADAONSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022391 814206672 /nfs/dbraw/zinc/20/66/72/814206672.db2.gz ODYPAAQHTFFVCD-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C(C)C)C1 ZINC001271160500 814253097 /nfs/dbraw/zinc/25/30/97/814253097.db2.gz UIROBRHWZPGSNZ-HOCLYGCPSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271751209 814565789 /nfs/dbraw/zinc/56/57/89/814565789.db2.gz MJZIRGTXPJVWRE-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168135693 814716556 /nfs/dbraw/zinc/71/65/56/814716556.db2.gz BTKSZTHZDDDZEM-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945462 816019487 /nfs/dbraw/zinc/01/94/87/816019487.db2.gz YGWWCPQGTSAXTN-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001120609085 816159123 /nfs/dbraw/zinc/15/91/23/816159123.db2.gz ZMBQSWQZVQGJLM-VXGBXAGGSA-N 2 0 251.374 0.444 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(CCF)[C@@H]2C)CC1 ZINC001089059422 816228321 /nfs/dbraw/zinc/22/83/21/816228321.db2.gz LMIJHSHAHJTSQC-HIFRSBDPSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CCCN1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001030825831 816321320 /nfs/dbraw/zinc/32/13/20/816321320.db2.gz QCOXCKPIONSOEM-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106139545 816541708 /nfs/dbraw/zinc/54/17/08/816541708.db2.gz YNPXQICIBUOFTA-BMFZPTHFSA-N 2 0 289.423 0.646 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106884153 816973915 /nfs/dbraw/zinc/97/39/15/816973915.db2.gz AAPXILACUDHRFD-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778345 817573742 /nfs/dbraw/zinc/57/37/42/817573742.db2.gz JIZISWZBRYLDLY-MJBXVCDLSA-N 2 0 281.400 0.208 20 30 CCEDRP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186002 817682860 /nfs/dbraw/zinc/68/28/60/817682860.db2.gz FPCADASXGZPSOZ-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC)C2)CC1 ZINC001032207333 817701625 /nfs/dbraw/zinc/70/16/25/817701625.db2.gz NOLRUXPXSGVIBP-UHFFFAOYSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782748 818051811 /nfs/dbraw/zinc/05/18/11/818051811.db2.gz FVOLVRLPDDBAOH-ZIAGYGMSSA-N 2 0 287.407 0.732 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC#C)C1 ZINC001033154290 818580722 /nfs/dbraw/zinc/58/07/22/818580722.db2.gz OJUVNUSFMOUYRE-GJZGRUSLSA-N 2 0 273.380 0.250 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660509 818882441 /nfs/dbraw/zinc/88/24/41/818882441.db2.gz HXDFBENPZRDQIX-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001034491492 819216277 /nfs/dbraw/zinc/21/62/77/819216277.db2.gz VLPSEUYEAOZIIP-ZDUSSCGKSA-N 2 0 274.368 0.567 20 30 CCEDRP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034524515 819228252 /nfs/dbraw/zinc/22/82/52/819228252.db2.gz HCMJWFRTHMJSBG-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001036263905 819717761 /nfs/dbraw/zinc/71/77/61/819717761.db2.gz IEPSFAFDBBBPTJ-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082742173 821030121 /nfs/dbraw/zinc/03/01/21/821030121.db2.gz UGZIPUDQRVZLLH-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085074825 821480033 /nfs/dbraw/zinc/48/00/33/821480033.db2.gz DWRAQPAXYXBOQK-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085200496 821614740 /nfs/dbraw/zinc/61/47/40/821614740.db2.gz MAXDWGRPISWYBK-ARFHVFGLSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091926 822110882 /nfs/dbraw/zinc/11/08/82/822110882.db2.gz SNUFQVULSGAKHN-BARDWOONSA-N 2 0 293.411 0.520 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130188328 837716270 /nfs/dbraw/zinc/71/62/70/837716270.db2.gz BUUFMCRBVFZMRB-LSDHHAIUSA-N 2 0 295.427 0.912 20 30 CCEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001183581441 844046367 /nfs/dbraw/zinc/04/63/67/844046367.db2.gz ITZNHONPDXTOEA-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP CC[NH+]1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001169233805 836166016 /nfs/dbraw/zinc/16/60/16/836166016.db2.gz VAMOTFOTBVUGMY-UHFFFAOYSA-N 2 0 274.368 0.975 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129339662 836391857 /nfs/dbraw/zinc/39/18/57/836391857.db2.gz IUFGFWMEIPQTKM-CYBMUJFWSA-N 2 0 251.374 0.303 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364536 836528975 /nfs/dbraw/zinc/52/89/75/836528975.db2.gz WNLLVINLRNSUOE-HNNXBMFYSA-N 2 0 295.427 0.912 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133853638 838741114 /nfs/dbraw/zinc/74/11/14/838741114.db2.gz MZQUXIRGZSAGBG-SNVBAGLBSA-N 2 0 259.781 0.787 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856747 838751633 /nfs/dbraw/zinc/75/16/33/838751633.db2.gz PGYXVAFVVLWZDJ-HNNXBMFYSA-N 2 0 283.391 0.928 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906164 838771649 /nfs/dbraw/zinc/77/16/49/838771649.db2.gz OLYONHLWONOPHY-UHFFFAOYSA-N 2 0 285.432 0.873 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297368 839200050 /nfs/dbraw/zinc/20/00/50/839200050.db2.gz ALLKZVWPCAAXQA-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001185706006 844451743 /nfs/dbraw/zinc/45/17/43/844451743.db2.gz KBFVCKHTQLHUET-QGZVFWFLSA-N 2 0 299.418 0.985 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001091075556 840036110 /nfs/dbraw/zinc/03/61/10/840036110.db2.gz MYYFJMHGMQTWKG-NRXISQOPSA-N 2 0 273.380 0.202 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001091100316 840054871 /nfs/dbraw/zinc/05/48/71/840054871.db2.gz PMYIJTILSVUAFJ-RUXDESIVSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148548232 840836397 /nfs/dbraw/zinc/83/63/97/840836397.db2.gz NRCIGULMCMDYOH-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086853875 840930040 /nfs/dbraw/zinc/93/00/40/840930040.db2.gz XXGYNYYPVONYLV-UONOGXRCSA-N 2 0 275.396 0.590 20 30 CCEDRP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272575 841003503 /nfs/dbraw/zinc/00/35/03/841003503.db2.gz GGSUDSHOYRRBDH-LZWOXQAQSA-N 2 0 277.412 0.904 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178985648 842955499 /nfs/dbraw/zinc/95/54/99/842955499.db2.gz SDLOATXFDYXZBH-MELADBBJSA-N 2 0 265.401 0.929 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179936093 843084976 /nfs/dbraw/zinc/08/49/76/843084976.db2.gz LCMOOMMZBUZCFA-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP N#Cc1ccc2c(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001206476222 843691872 /nfs/dbraw/zinc/69/18/72/843691872.db2.gz SFMCLYMINNSIOF-XHDPSFHLSA-N 2 0 270.336 0.791 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192399153 845846544 /nfs/dbraw/zinc/84/65/44/845846544.db2.gz VOUTZQQVCGGTCQ-KGLIPLIRSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193640953 846133940 /nfs/dbraw/zinc/13/39/40/846133940.db2.gz GPPSRLPEFUZDAX-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193827524 846161430 /nfs/dbraw/zinc/16/14/30/846161430.db2.gz APDDFDJYOKIIJI-ZIAGYGMSSA-N 2 0 281.400 0.208 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039248 846196105 /nfs/dbraw/zinc/19/61/05/846196105.db2.gz MBBYMWXDZAXPJQ-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152148352 846402503 /nfs/dbraw/zinc/40/25/03/846402503.db2.gz ORQCBCHYTFPTLS-KBPBESRZSA-N 2 0 283.416 0.768 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057348 847214341 /nfs/dbraw/zinc/21/43/41/847214341.db2.gz ISWYWDFRLVFAOZ-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200124195 847554756 /nfs/dbraw/zinc/55/47/56/847554756.db2.gz ZPXCSDJODGQBQV-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200738142 847686091 /nfs/dbraw/zinc/68/60/91/847686091.db2.gz UOZKBWDDPSIPEE-CABCVRRESA-N 2 0 297.443 0.966 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273881449 847725236 /nfs/dbraw/zinc/72/52/36/847725236.db2.gz NOUPOSFFUKRXQG-ZFWWWQNUSA-N 2 0 281.400 0.162 20 30 CCEDRP C[NH+]1CCN(c2cc(-n3cc(N)c(C#N)n3)cc[nH+]2)CC1 ZINC001201654181 847802710 /nfs/dbraw/zinc/80/27/10/847802710.db2.gz IRDHLEJPSMZHBM-UHFFFAOYSA-N 2 0 283.339 0.473 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201688065 847808045 /nfs/dbraw/zinc/80/80/45/847808045.db2.gz MCEHDCMUXPKJEL-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201808601 847815143 /nfs/dbraw/zinc/81/51/43/847815143.db2.gz DSLHXRGMMRQYEI-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201930934 847828957 /nfs/dbraw/zinc/82/89/57/847828957.db2.gz HESNMRHRXRRGJM-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202206333 847866818 /nfs/dbraw/zinc/86/68/18/847866818.db2.gz COVKGILQGHLZQX-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202216731 847868655 /nfs/dbraw/zinc/86/86/55/847868655.db2.gz ARJOXAQBSLQZJL-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+](C)C1CC1 ZINC000884210830 848211984 /nfs/dbraw/zinc/21/19/84/848211984.db2.gz KVTGKFXXHPHJAS-ZMDMRTEPSA-N 2 0 290.411 0.725 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCF ZINC001274098165 848349053 /nfs/dbraw/zinc/34/90/53/848349053.db2.gz ZDSPSIJKHSVHSG-NQHOJNORSA-N 2 0 281.375 0.706 20 30 CCEDRP C=C[C@@](C)(O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614104 848523455 /nfs/dbraw/zinc/52/34/55/848523455.db2.gz BBZGVANRGWRKPD-CVEARBPZSA-N 2 0 295.427 0.409 20 30 CCEDRP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001275976822 848879277 /nfs/dbraw/zinc/87/92/77/848879277.db2.gz JHUQMFLBWJBGIN-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778563 849391674 /nfs/dbraw/zinc/39/16/74/849391674.db2.gz NGAPTZZACLRVIC-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314997 850613565 /nfs/dbraw/zinc/61/35/65/850613565.db2.gz YBQJVTGUSNRZOA-HUUCEWRRSA-N 2 0 287.407 0.638 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598226 851829913 /nfs/dbraw/zinc/82/99/13/851829913.db2.gz AMQBEARTMPBQRO-KBPBESRZSA-N 2 0 293.411 0.162 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096354398 851951699 /nfs/dbraw/zinc/95/16/99/851951699.db2.gz DMDFRVUXFRSCLM-RDBSUJKOSA-N 2 0 275.396 0.990 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049060174 852151936 /nfs/dbraw/zinc/15/19/36/852151936.db2.gz OIEICIBRMPTIJG-LVQVYYBASA-N 2 0 289.423 0.598 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1)C2 ZINC001096652596 852421245 /nfs/dbraw/zinc/42/12/45/852421245.db2.gz UVPOQEPCDNKKMS-AGIUHOORSA-N 2 0 258.325 0.238 20 30 CCEDRP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCC1=O ZINC001254668572 852904136 /nfs/dbraw/zinc/90/41/36/852904136.db2.gz GVTLGSSDCDEPLH-ZIAGYGMSSA-N 2 0 278.400 0.775 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814380 854470155 /nfs/dbraw/zinc/47/01/55/854470155.db2.gz BXFBKLTWIIYARR-OAHLLOKOSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981223 854506539 /nfs/dbraw/zinc/50/65/39/854506539.db2.gz AYJYLYBCLPIIIM-CABCVRRESA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073130481 854535955 /nfs/dbraw/zinc/53/59/55/854535955.db2.gz WTPAVMUOBLDTME-UHFFFAOYSA-N 2 0 275.396 0.803 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075038948 854808310 /nfs/dbraw/zinc/80/83/10/854808310.db2.gz LZEWMTRYZUSOFS-MJBXVCDLSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099528743 854936160 /nfs/dbraw/zinc/93/61/60/854936160.db2.gz IUVGAHPGFXCASS-VGWMRTNUSA-N 2 0 289.423 0.740 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969583 855055626 /nfs/dbraw/zinc/05/56/26/855055626.db2.gz KSUZSQXQARWFBA-QWHCGFSZSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132688 855104068 /nfs/dbraw/zinc/10/40/68/855104068.db2.gz XMRPWWFXWXMQDQ-KGLIPLIRSA-N 2 0 283.416 0.454 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100340392 855149943 /nfs/dbraw/zinc/14/99/43/855149943.db2.gz IWOMDJNFBWTPQB-AVVWSFFYSA-N 2 0 289.423 0.836 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407570 855161773 /nfs/dbraw/zinc/16/17/73/855161773.db2.gz BBLURBPXDZNECG-UXUKBGGZSA-N 2 0 263.385 0.444 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241175 855653653 /nfs/dbraw/zinc/65/36/53/855653653.db2.gz DAOVPBZPIZQEMB-BYNSBNAKSA-N 2 0 293.411 0.187 20 30 CCEDRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001118322457 856260669 /nfs/dbraw/zinc/26/06/69/856260669.db2.gz GHMYQXMRCXSTQY-FRRDWIJNSA-N 2 0 266.389 0.854 20 30 CCEDRP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816247 912250565 /nfs/dbraw/zinc/25/05/65/912250565.db2.gz DTBWDAJFXBLJTG-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC#CCOC ZINC001481870210 893231951 /nfs/dbraw/zinc/23/19/51/893231951.db2.gz LSKZKBSCWAKPAU-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482833643 894638550 /nfs/dbraw/zinc/63/85/50/894638550.db2.gz OYHPSLLQDWXEAA-OCCSQVGLSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCF)CC1 ZINC001482903083 894680464 /nfs/dbraw/zinc/68/04/64/894680464.db2.gz WVQOTDKKGFHWPB-ZDUSSCGKSA-N 2 0 283.391 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCOC)CC1 ZINC001483099298 894900638 /nfs/dbraw/zinc/90/06/38/894900638.db2.gz XGEBMNMCRYZGNK-PLNGDYQASA-N 2 0 293.411 0.240 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483129311 894979454 /nfs/dbraw/zinc/97/94/54/894979454.db2.gz WJDSKGYFMBSFFJ-FRRDWIJNSA-N 2 0 251.374 0.444 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001483795586 896056139 /nfs/dbraw/zinc/05/61/39/896056139.db2.gz XWHJPLWAWUVLKR-CYBMUJFWSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001483924762 896118802 /nfs/dbraw/zinc/11/88/02/896118802.db2.gz LKMFHNOAXBUANN-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001484444196 896412722 /nfs/dbraw/zinc/41/27/22/896412722.db2.gz QSNOPMDLHKUBOG-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001484698607 896545286 /nfs/dbraw/zinc/54/52/86/896545286.db2.gz BBHDFIQQRVNOFE-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484855814 896634357 /nfs/dbraw/zinc/63/43/57/896634357.db2.gz QKBGJQQCDAGQFP-INIZCTEOSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001484955988 896684691 /nfs/dbraw/zinc/68/46/91/896684691.db2.gz UYGJBPBTIKOCPO-CQSZACIVSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485001419 896702384 /nfs/dbraw/zinc/70/23/84/896702384.db2.gz JVFHHXPNLMMBKI-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001485019298 896720614 /nfs/dbraw/zinc/72/06/14/896720614.db2.gz GQRQQHCKXCNQSZ-CQSZACIVSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485802731 897253901 /nfs/dbraw/zinc/25/39/01/897253901.db2.gz BCZBENMYFOCIQP-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485834551 898049452 /nfs/dbraw/zinc/04/94/52/898049452.db2.gz QBSPNKQVKPXYBZ-UONOGXRCSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001486035311 898622220 /nfs/dbraw/zinc/62/22/20/898622220.db2.gz ZRCGFSJJNUWEQX-LBPRGKRZSA-N 2 0 271.405 0.217 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486347268 898827125 /nfs/dbraw/zinc/82/71/25/898827125.db2.gz NNXJNYKAFIZDFK-GJZGRUSLSA-N 2 0 297.443 0.798 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC1(C[NH3+])CC1 ZINC001327131641 914389863 /nfs/dbraw/zinc/38/98/63/914389863.db2.gz SKMAGSZJGNWHPO-NSHDSACASA-N 2 0 252.362 0.643 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001095038487 899934487 /nfs/dbraw/zinc/93/44/87/899934487.db2.gz BSJWDOLELBKBIN-KKUMJFAQSA-N 2 0 287.407 0.685 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001488739205 900361172 /nfs/dbraw/zinc/36/11/72/900361172.db2.gz DBAAXKKSBAZJGM-OKILXGFUSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001488792208 900392383 /nfs/dbraw/zinc/39/23/83/900392383.db2.gz JUCYHERNWDXNBM-UXLLHSPISA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001489147348 900438876 /nfs/dbraw/zinc/43/88/76/900438876.db2.gz JHGFGKRHRWGVAL-UONOGXRCSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490569910 900668970 /nfs/dbraw/zinc/66/89/70/900668970.db2.gz LRYUQDBSLSWFAQ-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280660429 900874351 /nfs/dbraw/zinc/87/43/51/900874351.db2.gz XZNONNFDCPFYAH-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001319606967 900891854 /nfs/dbraw/zinc/89/18/54/900891854.db2.gz ZTUXDNFXIRWZKW-ZIAGYGMSSA-N 2 0 283.416 0.624 20 30 CCEDRP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001319606959 900892588 /nfs/dbraw/zinc/89/25/88/900892588.db2.gz ZTUXDNFXIRWZKW-UONOGXRCSA-N 2 0 283.416 0.624 20 30 CCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001327570792 914625144 /nfs/dbraw/zinc/62/51/44/914625144.db2.gz ZOPDBOCZANKBGN-HOCLYGCPSA-N 2 0 295.427 0.149 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001327663851 914689554 /nfs/dbraw/zinc/68/95/54/914689554.db2.gz WLSSAKPSNOUWNM-WOPDTQHZSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001490925398 903255542 /nfs/dbraw/zinc/25/55/42/903255542.db2.gz BZBVTVCCUWXINN-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001281770507 904345249 /nfs/dbraw/zinc/34/52/49/904345249.db2.gz MOGHMSXCIADVMW-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965650 904376561 /nfs/dbraw/zinc/37/65/61/904376561.db2.gz VOVQUFMYCMNOHJ-ZDUSSCGKSA-N 2 0 274.368 0.898 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316628600 904923864 /nfs/dbraw/zinc/92/38/64/904923864.db2.gz RJRDUFJDOSWMRC-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001283633289 904941967 /nfs/dbraw/zinc/94/19/67/904941967.db2.gz YIBOEXFCFZRBQF-CQSZACIVSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001283770079 905008128 /nfs/dbraw/zinc/00/81/28/905008128.db2.gz IRYSEVRLSMAFLN-GFCCVEGCSA-N 2 0 288.351 0.509 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001491579697 907416377 /nfs/dbraw/zinc/41/63/77/907416377.db2.gz TXNNIRKNEIUYEX-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001491809727 907611966 /nfs/dbraw/zinc/61/19/66/907611966.db2.gz ZJPXRLMLQOMTSQ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001316715764 908697783 /nfs/dbraw/zinc/69/77/83/908697783.db2.gz OLRVWHKIBGLMLB-UHFFFAOYSA-N 2 0 293.371 0.026 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138749 908750077 /nfs/dbraw/zinc/75/00/77/908750077.db2.gz VWTRTQIOPKBQPR-OAHLLOKOSA-N 2 0 277.412 0.934 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317058472 908945513 /nfs/dbraw/zinc/94/55/13/908945513.db2.gz ZOYFQKNRMCOKHU-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317090791 908972235 /nfs/dbraw/zinc/97/22/35/908972235.db2.gz FTUOITBITWDZJZ-IHRRRGAJSA-N 2 0 265.401 0.833 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317104309 908981972 /nfs/dbraw/zinc/98/19/72/908981972.db2.gz FSMYYKXUPVRJOX-XQQFMLRXSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317126221 908996467 /nfs/dbraw/zinc/99/64/67/908996467.db2.gz MSADTJPHISRHQS-UPJWGTAASA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322875 909143811 /nfs/dbraw/zinc/14/38/11/909143811.db2.gz QQEGWTRZCYCLPC-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478830 909248739 /nfs/dbraw/zinc/24/87/39/909248739.db2.gz YQJIHLDGMDRLSM-AWEZNQCLSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319198382 910034157 /nfs/dbraw/zinc/03/41/57/910034157.db2.gz VAJHJJOJUILBJC-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319533418 910190932 /nfs/dbraw/zinc/19/09/32/910190932.db2.gz FUEBZBHUAYFWAN-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[N@@H+](C)CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001320022782 910416665 /nfs/dbraw/zinc/41/66/65/910416665.db2.gz YWYZOBQFEBWGQY-UHFFFAOYSA-N 2 0 297.443 0.921 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001320316315 910607789 /nfs/dbraw/zinc/60/77/89/910607789.db2.gz MSRCYGIDFBIHKF-LSDHHAIUSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320531074 910725429 /nfs/dbraw/zinc/72/54/29/910725429.db2.gz XMPVLQZLPXDKQH-IHRRRGAJSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001322183668 911699903 /nfs/dbraw/zinc/69/99/03/911699903.db2.gz UOTAXDIMAFZRAS-CQSZACIVSA-N 2 0 295.427 0.415 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC001329099051 915668429 /nfs/dbraw/zinc/66/84/29/915668429.db2.gz FSDHFMVJIJIGCB-GRYCIOLGSA-N 2 0 252.362 0.654 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001329411550 915890347 /nfs/dbraw/zinc/89/03/47/915890347.db2.gz PLPYZQROVBSUPX-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CN(C)CCO1 ZINC001329876443 916249041 /nfs/dbraw/zinc/24/90/41/916249041.db2.gz RCIFGDHPEGRZDZ-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CC[C@@]1(C(=O)NCc2cc(N)cc[nH+]2)CCC[NH2+]1 ZINC001331004163 917017381 /nfs/dbraw/zinc/01/73/81/917017381.db2.gz QXMMIBFAMBWKEN-AWEZNQCLSA-N 2 0 260.341 0.978 20 30 CCEDRP C[NH2+]CCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331970500 917770768 /nfs/dbraw/zinc/77/07/68/917770768.db2.gz VBYFRDVNOKSVNX-MBHSVXNSSA-N 2 0 264.373 0.194 20 30 CCEDRP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332094400 917858864 /nfs/dbraw/zinc/85/88/64/917858864.db2.gz RNUSPLAWTLLMLE-AWEZNQCLSA-N 2 0 295.431 0.151 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332648362 918351004 /nfs/dbraw/zinc/35/10/04/918351004.db2.gz ONWURDMVRPUPMU-QWHCGFSZSA-N 2 0 269.389 0.018 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333292088 918781153 /nfs/dbraw/zinc/78/11/53/918781153.db2.gz LUKGCNHSTKIGQI-HIFRSBDPSA-N 2 0 278.400 1.000 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001341590706 922569007 /nfs/dbraw/zinc/56/90/07/922569007.db2.gz GTHMGVATRQAKSA-JBLDHEPKSA-N 2 0 257.765 0.796 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001341660178 922610901 /nfs/dbraw/zinc/61/09/01/922610901.db2.gz URHAFZIUUJBXKK-KBPBESRZSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001341677071 922623907 /nfs/dbraw/zinc/62/39/07/922623907.db2.gz JFNSSTYZOHNCNW-RDBSUJKOSA-N 2 0 281.400 0.649 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001342082794 922795637 /nfs/dbraw/zinc/79/56/37/922795637.db2.gz QWSXGTGFDPHQHF-OLZOCXBDSA-N 2 0 266.389 0.904 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001342238085 922871742 /nfs/dbraw/zinc/87/17/42/922871742.db2.gz LCRNNRUYHXYLAP-CHWSQXEVSA-N 2 0 269.389 0.507 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001344128898 923555319 /nfs/dbraw/zinc/55/53/19/923555319.db2.gz XZJCDSNFDXHFJK-ZJUUUORDSA-N 2 0 277.290 0.195 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200116615 925627575 /nfs/dbraw/zinc/62/75/75/925627575.db2.gz YXFXTRYLBASASZ-KBPBESRZSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1(C)CC[NH+](C)CC1 ZINC001353314798 925792611 /nfs/dbraw/zinc/79/26/11/925792611.db2.gz HKJUEYSWCFXNGL-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001355717926 926306333 /nfs/dbraw/zinc/30/63/33/926306333.db2.gz AKIPWMWKBDOYQC-UMNHJUIQSA-N 2 0 257.765 0.715 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC001358263825 926663456 /nfs/dbraw/zinc/66/34/56/926663456.db2.gz WYBMWFYTBKSFCZ-BZPMIXESSA-N 2 0 251.374 0.738 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001445261912 930078984 /nfs/dbraw/zinc/07/89/84/930078984.db2.gz NIUVKMPZXWQWNA-UHFFFAOYSA-N 2 0 281.400 0.427 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001450063735 931227778 /nfs/dbraw/zinc/22/77/78/931227778.db2.gz HREHQGDNPXDUNJ-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1(C)C ZINC000600736155 362050079 /nfs/dbraw/zinc/05/00/79/362050079.db2.gz QQQXWVZXSDZYEX-CQSZACIVSA-N 2 0 294.443 0.657 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601550671 362309266 /nfs/dbraw/zinc/30/92/66/362309266.db2.gz DFNXMQDCMHRBNT-IHRRRGAJSA-N 2 0 278.400 0.998 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528087 362658709 /nfs/dbraw/zinc/65/87/09/362658709.db2.gz BFCLRXZSDPYBEB-NWDGAFQWSA-N 2 0 264.373 0.798 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000602595693 362700441 /nfs/dbraw/zinc/70/04/41/362700441.db2.gz WXMRKHFUOXKLRP-UTUOFQBUSA-N 2 0 252.362 0.451 20 30 CCEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000602725655 362773362 /nfs/dbraw/zinc/77/33/62/362773362.db2.gz SJAQCLWJGOPBRV-UONOGXRCSA-N 2 0 281.400 0.742 20 30 CCEDRP N#Cc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000063178486 348680727 /nfs/dbraw/zinc/68/07/27/348680727.db2.gz SKGHVZQLEUIYOM-HNNXBMFYSA-N 2 0 286.379 0.845 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccco1 ZINC000088769325 349372493 /nfs/dbraw/zinc/37/24/93/349372493.db2.gz BHQSBXKLSRDLEY-ZDUSSCGKSA-N 2 0 293.415 0.533 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000491624628 332248735 /nfs/dbraw/zinc/24/87/35/332248735.db2.gz JNPWXLPUUWVALJ-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000491202125 358292793 /nfs/dbraw/zinc/29/27/93/358292793.db2.gz LWRNDZWKXDVRFL-OAHLLOKOSA-N 2 0 277.412 0.934 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000591764105 359654905 /nfs/dbraw/zinc/65/49/05/359654905.db2.gz LCJFMUKJRKFVFL-OAHLLOKOSA-N 2 0 296.459 0.904 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000297491991 200209872 /nfs/dbraw/zinc/20/98/72/200209872.db2.gz NIYJJEJUYDUBFT-UHFFFAOYSA-N 2 0 278.400 0.503 20 30 CCEDRP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594426113 360301085 /nfs/dbraw/zinc/30/10/85/360301085.db2.gz NJQFHNUNIRFYJO-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594435903 360304538 /nfs/dbraw/zinc/30/45/38/360304538.db2.gz AVPLTTCASJMPOB-ZDUSSCGKSA-N 2 0 266.389 0.998 20 30 CCEDRP C[NH+](C)[C@]1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCSC1 ZINC000594441287 360310414 /nfs/dbraw/zinc/31/04/14/360310414.db2.gz QNIMPQPXPVCHJN-OCCSQVGLSA-N 2 0 298.456 0.951 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594441233 360310718 /nfs/dbraw/zinc/31/07/18/360310718.db2.gz PKYSVDSPPIDWEK-STQMWFEESA-N 2 0 266.389 0.854 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595944601 360722460 /nfs/dbraw/zinc/72/24/60/360722460.db2.gz ZOFOVIUIGBLJBP-AKJDGMEZSA-N 2 0 250.346 0.347 20 30 CCEDRP C[N@@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)CC1(C)C ZINC000598976986 361544336 /nfs/dbraw/zinc/54/43/36/361544336.db2.gz XSDIZCRJVXHVDX-NSHDSACASA-N 2 0 262.361 0.612 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCCOCC[NH2+]C)CC1 ZINC000626971147 368703846 /nfs/dbraw/zinc/70/38/46/368703846.db2.gz ZPVJREBWFHKIKE-UHFFFAOYSA-N 2 0 284.404 0.172 20 30 CCEDRP COCCNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264080774 389305451 /nfs/dbraw/zinc/30/54/51/389305451.db2.gz IKSHXCCBTKRYKR-UHFFFAOYSA-N 2 0 294.399 0.678 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1ccnc1C ZINC000264095102 389306482 /nfs/dbraw/zinc/30/64/82/389306482.db2.gz MKHOHBRJNPYVQG-AWEZNQCLSA-N 2 0 292.431 0.970 20 30 CCEDRP CCNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264122951 389307562 /nfs/dbraw/zinc/30/75/62/389307562.db2.gz RJQGEZWZNOSXJR-UHFFFAOYSA-N 2 0 289.427 0.728 20 30 CCEDRP C[C@@H]1C[C@H](O)C[NH+](CC#CC[N@H+]2C[C@H](O)C[C@H](C)C2)C1 ZINC000412037941 389472893 /nfs/dbraw/zinc/47/28/93/389472893.db2.gz NQIGLDOPAURZRK-SYMSYNOKSA-N 2 0 280.412 0.395 20 30 CCEDRP C[NH+]=C(NCc1ccoc1)NC[C@H]1CC[N@H+](C)C1 ZINC000176306152 389556313 /nfs/dbraw/zinc/55/63/13/389556313.db2.gz OSZCBOMKPPARND-LLVKDONJSA-N 2 0 250.346 0.896 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000351473738 389585240 /nfs/dbraw/zinc/58/52/40/389585240.db2.gz WKIBELLGFZYQSD-HOTGVXAUSA-N 2 0 280.412 0.926 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180454775 389671086 /nfs/dbraw/zinc/67/10/86/389671086.db2.gz AWPDBJFFDKYFPH-CQSZACIVSA-N 2 0 276.384 0.630 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]CC2)CC1 ZINC000417532071 389828187 /nfs/dbraw/zinc/82/81/87/389828187.db2.gz DPZUFEUFLRAXKO-UHFFFAOYSA-N 2 0 266.389 0.642 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000491385849 390112775 /nfs/dbraw/zinc/11/27/75/390112775.db2.gz SNHFKGHYDHUNRG-KBPBESRZSA-N 2 0 280.416 0.853 20 30 CCEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000563955287 390494273 /nfs/dbraw/zinc/49/42/73/390494273.db2.gz WGCAJDHIWXJFCC-QWHCGFSZSA-N 2 0 266.389 0.854 20 30 CCEDRP C[C@@H]1CC2(CN1C(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]CC2 ZINC000331657200 287237010 /nfs/dbraw/zinc/23/70/10/287237010.db2.gz OJOBMCDZYZKWDJ-CHWSQXEVSA-N 2 0 278.400 0.998 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352778 412036518 /nfs/dbraw/zinc/03/65/18/412036518.db2.gz WGKMMKXMLCGWSD-GUTXKFCHSA-N 2 0 263.385 0.834 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659450741 413510659 /nfs/dbraw/zinc/51/06/59/413510659.db2.gz USPCAASZOLLNFB-GFCCVEGCSA-N 2 0 268.405 0.934 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662765146 414774043 /nfs/dbraw/zinc/77/40/43/414774043.db2.gz RJRVLBOMVRGDFB-MBNYWOFBSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000662770076 414776855 /nfs/dbraw/zinc/77/68/55/414776855.db2.gz NYLWCFAWZBTQSR-GXTWGEPZSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662415092 414716086 /nfs/dbraw/zinc/71/60/86/414716086.db2.gz ABFOCWHDSULWMU-SGMGOOAPSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662813205 414812039 /nfs/dbraw/zinc/81/20/39/414812039.db2.gz IDFWGUAUVBAFQY-TZMCWYRMSA-N 2 0 267.373 0.261 20 30 CCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328832167 545019644 /nfs/dbraw/zinc/01/96/44/545019644.db2.gz VGHRKXLYPHJUAR-AWEZNQCLSA-N 2 0 287.367 0.885 20 30 CCEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374157117 260188678 /nfs/dbraw/zinc/18/86/78/260188678.db2.gz FCALKQJWYSILRA-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@@H](O)C2)C[C@H]1O ZINC000341905927 263365169 /nfs/dbraw/zinc/36/51/69/263365169.db2.gz SVARYCZAPJUCRI-GEEKYZPCSA-N 2 0 280.412 0.395 20 30 CCEDRP CC[NH+](CC#CC[N@@H+](CC)C[C@@H](C)O)C[C@H](C)O ZINC000352194414 276310625 /nfs/dbraw/zinc/31/06/25/276310625.db2.gz JNJTWJRYVPLSLJ-OKILXGFUSA-N 2 0 256.390 0.395 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261962973 329991708 /nfs/dbraw/zinc/99/17/08/329991708.db2.gz KSBWCGAGXHGLLP-OLZOCXBDSA-N 2 0 297.472 0.047 20 30 CCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262267255 330003263 /nfs/dbraw/zinc/00/32/63/330003263.db2.gz HPVHNXHAZGUFMA-NSHDSACASA-N 2 0 297.353 0.937 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262505427 330018496 /nfs/dbraw/zinc/01/84/96/330018496.db2.gz ZTLNMUVWQIXOMD-OLZOCXBDSA-N 2 0 284.404 0.133 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCCC3)CCOCC2)N1 ZINC000262638590 330023915 /nfs/dbraw/zinc/02/39/15/330023915.db2.gz HHWLUSBJGATRIK-GFCCVEGCSA-N 2 0 266.389 0.569 20 30 CCEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424134288 330266711 /nfs/dbraw/zinc/26/67/11/330266711.db2.gz NHNPZAZJOIKFLT-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143222 330286979 /nfs/dbraw/zinc/28/69/79/330286979.db2.gz FLWYWUOXOVDDLP-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424151247 330297004 /nfs/dbraw/zinc/29/70/04/330297004.db2.gz HIMDSUHOKGNNOJ-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424151675 330297156 /nfs/dbraw/zinc/29/71/56/330297156.db2.gz HMHZNGWJFSMEHV-RYUDHWBXSA-N 2 0 252.362 0.560 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424153581 330300094 /nfs/dbraw/zinc/30/00/94/330300094.db2.gz KIZQNOWIOJWMTC-OLZOCXBDSA-N 2 0 264.373 0.703 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000424179291 330318573 /nfs/dbraw/zinc/31/85/73/330318573.db2.gz SRHPMOCRWJOQQQ-NWDGAFQWSA-N 2 0 252.362 0.737 20 30 CCEDRP CCN(CC#CCN(CC)C1COC1)C1COC1 ZINC000451291194 331023416 /nfs/dbraw/zinc/02/34/16/331023416.db2.gz ZETAXZSWWGJLHF-UHFFFAOYSA-N 2 0 252.358 0.431 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000490679656 332103210 /nfs/dbraw/zinc/10/32/10/332103210.db2.gz UDPQZMRUYGMLDB-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000490933626 332130380 /nfs/dbraw/zinc/13/03/80/332130380.db2.gz FJHHGYDPRHBKSV-AWEZNQCLSA-N 2 0 286.379 0.510 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000490937284 332131345 /nfs/dbraw/zinc/13/13/45/332131345.db2.gz SXDOFBDVANJVJR-AWEZNQCLSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000491119153 332151607 /nfs/dbraw/zinc/15/16/07/332151607.db2.gz HKSZSZOHJJRVSP-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000491381524 332201178 /nfs/dbraw/zinc/20/11/78/332201178.db2.gz FXRTYGAVXVYTMK-KGLIPLIRSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000491698678 332293552 /nfs/dbraw/zinc/29/35/52/332293552.db2.gz IEZIFMMQMVGIHD-LSDHHAIUSA-N 2 0 294.443 0.923 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000491717195 332306606 /nfs/dbraw/zinc/30/66/06/332306606.db2.gz VRCBMORCXRIADR-KBPBESRZSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000491783879 332347343 /nfs/dbraw/zinc/34/73/43/332347343.db2.gz PTEXBRCLQNODJT-MRXNPFEDSA-N 2 0 292.427 0.727 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000522138261 333248482 /nfs/dbraw/zinc/24/84/82/333248482.db2.gz VGAMAJOHBJHBQL-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C(C)(C)C[NH+](C)C ZINC000577171837 335314565 /nfs/dbraw/zinc/31/45/65/335314565.db2.gz DDVURHAYHILEHP-UONOGXRCSA-N 2 0 284.448 0.759 20 30 CCEDRP C=CCNC(=S)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732721830 581844470 /nfs/dbraw/zinc/84/44/70/581844470.db2.gz VYAYNVYZPNGBBT-GFCCVEGCSA-N 2 0 282.457 0.805 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000965063110 612954689 /nfs/dbraw/zinc/95/46/89/612954689.db2.gz JWIBISPVNDNDND-BJOWLINFSA-N 2 0 289.423 0.834 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891921066 613073500 /nfs/dbraw/zinc/07/35/00/613073500.db2.gz IYNDEHLIRHUSFN-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922630280 613076319 /nfs/dbraw/zinc/07/63/19/613076319.db2.gz OYRLISPIBVMYSA-QWHCGFSZSA-N 2 0 266.389 0.333 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(C)CC[NH2+]CC1 ZINC000876798326 613387868 /nfs/dbraw/zinc/38/78/68/613387868.db2.gz GPFNPESMEQGFKH-SNVBAGLBSA-N 2 0 259.781 0.962 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000876986040 613389652 /nfs/dbraw/zinc/38/96/52/613389652.db2.gz WWZNGOGWZSAWRN-SCVCMEIPSA-N 2 0 257.765 0.796 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968702415 612963666 /nfs/dbraw/zinc/96/36/66/612963666.db2.gz HHGAADYVYSKYSM-KGLIPLIRSA-N 2 0 261.369 0.152 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000847516618 612998902 /nfs/dbraw/zinc/99/89/02/612998902.db2.gz XVMOCZABPNSKBC-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962559379 613044284 /nfs/dbraw/zinc/04/42/84/613044284.db2.gz VPGBMHGCWDUWCQ-IGQOVBAYSA-N 2 0 261.369 0.008 20 30 CCEDRP C#CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000886353936 613074592 /nfs/dbraw/zinc/07/45/92/613074592.db2.gz SPWBPRWQOYTHKW-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC=C)C2)CC1 ZINC000970926578 613131522 /nfs/dbraw/zinc/13/15/22/613131522.db2.gz WEHVDHCGTJCPMJ-CQSZACIVSA-N 2 0 289.423 0.954 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC000928655264 613132759 /nfs/dbraw/zinc/13/27/59/613132759.db2.gz OEHLWEMKIWLTAX-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000921406331 613135310 /nfs/dbraw/zinc/13/53/10/613135310.db2.gz HDGYSSOMXYZQGT-HIFRSBDPSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981779627 613141851 /nfs/dbraw/zinc/14/18/51/613141851.db2.gz DRXZNWDCXPKZIR-HUUCEWRRSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948052250 613258354 /nfs/dbraw/zinc/25/83/54/613258354.db2.gz CLNDLNQRRCJENU-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621190 613263591 /nfs/dbraw/zinc/26/35/91/613263591.db2.gz PILJFKMVCWNETL-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962124560 613314001 /nfs/dbraw/zinc/31/40/01/613314001.db2.gz WVRYWHODBYKSBM-FOLVSLTJSA-N 2 0 275.396 0.398 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912905053 613364309 /nfs/dbraw/zinc/36/43/09/613364309.db2.gz ZDOOMGFXLOVRQU-CYBMUJFWSA-N 2 0 251.374 0.801 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000840453214 613366682 /nfs/dbraw/zinc/36/66/82/613366682.db2.gz ITGOAYIGSNRPHY-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869778826 613366977 /nfs/dbraw/zinc/36/69/77/613366977.db2.gz PLMRGMSOOOIQAV-LBPRGKRZSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000876827284 613387722 /nfs/dbraw/zinc/38/77/22/613387722.db2.gz NCQVXFMAEYKTDK-GHMZBOCLSA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000876744262 613387938 /nfs/dbraw/zinc/38/79/38/613387938.db2.gz AXHZVUHTLOVVJX-SNVBAGLBSA-N 2 0 263.769 0.151 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877253551 613388004 /nfs/dbraw/zinc/38/80/04/613388004.db2.gz CRYQGORCVOUPDR-GXSJLCMTSA-N 2 0 259.781 0.961 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969699109 613530486 /nfs/dbraw/zinc/53/04/86/613530486.db2.gz IHRPAHNYSCXESN-UMVBOHGHSA-N 2 0 277.412 0.786 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969413381 613536253 /nfs/dbraw/zinc/53/62/53/613536253.db2.gz XZVZQSGEILVXAZ-JSGCOSHPSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CCC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000923429997 613591699 /nfs/dbraw/zinc/59/16/99/613591699.db2.gz CKOCVEQQFQTGJW-LZWOXQAQSA-N 2 0 295.427 0.550 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397929 613618057 /nfs/dbraw/zinc/61/80/57/613618057.db2.gz SQSRQHIBQBTRBS-QWHCGFSZSA-N 2 0 251.374 0.657 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000874436940 613674619 /nfs/dbraw/zinc/67/46/19/613674619.db2.gz YJYUZMLOWPSPCN-UHFFFAOYSA-N 2 0 251.374 0.849 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900598514 613675676 /nfs/dbraw/zinc/67/56/76/613675676.db2.gz HOZHNUQGLBOMCA-HIFRSBDPSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940649627 613785288 /nfs/dbraw/zinc/78/52/88/613785288.db2.gz PRAJMABHUUFLDW-KGLIPLIRSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000970727870 613864319 /nfs/dbraw/zinc/86/43/19/613864319.db2.gz POPVCIATXJFHLY-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000968912818 613864480 /nfs/dbraw/zinc/86/44/80/613864480.db2.gz SZFKHEBXLJYGGG-CHWSQXEVSA-N 2 0 251.374 0.703 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852873018 615479341 /nfs/dbraw/zinc/47/93/41/615479341.db2.gz UVYDGXLJSUKFAY-OAHLLOKOSA-N 2 0 295.427 0.462 20 30 CCEDRP CC[C@H](C)[N@H+](C)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000104191546 615668134 /nfs/dbraw/zinc/66/81/34/615668134.db2.gz GUZFRYUHXMQWHU-AWEZNQCLSA-N 2 0 299.463 0.214 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000913523685 615857487 /nfs/dbraw/zinc/85/74/87/615857487.db2.gz IQKXYZZKVMRJDI-UHFFFAOYSA-N 2 0 253.390 0.646 20 30 CCEDRP CN(C)C(=[NH+]CCC[N@@H+]1CCCN(C)CC1)N(C)C ZINC000104183192 616185838 /nfs/dbraw/zinc/18/58/38/616185838.db2.gz DGKVIELVJXODFD-UHFFFAOYSA-N 2 0 269.437 0.493 20 30 CCEDRP C[N@@H+]1CC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000877248494 616434551 /nfs/dbraw/zinc/43/45/51/616434551.db2.gz ACFRLGPUFYIJOF-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C[NH2+]CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876507341 616946946 /nfs/dbraw/zinc/94/69/46/616946946.db2.gz BJVFNGMPFCZCQL-AWEZNQCLSA-N 2 0 272.352 0.471 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026044022 625324959 /nfs/dbraw/zinc/32/49/59/625324959.db2.gz JWJDCFKSUUINPA-BJJPWKGXSA-N 2 0 263.385 0.417 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026043661 625326265 /nfs/dbraw/zinc/32/62/65/625326265.db2.gz ADKDYSBMJOYULQ-ZSAUSMIDSA-N 2 0 277.412 0.807 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088869 622906399 /nfs/dbraw/zinc/90/63/99/622906399.db2.gz MULZHSCGEAAECQ-BETUJISGSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023274187 622973595 /nfs/dbraw/zinc/97/35/95/622973595.db2.gz UWVQQWKFLLGDBW-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023749908 623127184 /nfs/dbraw/zinc/12/71/84/623127184.db2.gz CMZPFTDZKDZDAR-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001022350722 624933149 /nfs/dbraw/zinc/93/31/49/624933149.db2.gz NTHDQBDTUCKSGI-QLFBSQMISA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680344 630849380 /nfs/dbraw/zinc/84/93/80/630849380.db2.gz DBEJZIMNPIZZDY-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCO1 ZINC000261874138 631665204 /nfs/dbraw/zinc/66/52/04/631665204.db2.gz PNTPMVMUEBDPGJ-YPMHNXCESA-N 2 0 266.389 0.554 20 30 CCEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCSCC1 ZINC000262023902 631760791 /nfs/dbraw/zinc/76/07/91/631760791.db2.gz YVRJIBMUQRBMGZ-NSHDSACASA-N 2 0 268.430 0.834 20 30 CCEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)NC[C@@H]1CCCO1 ZINC000066245408 631953937 /nfs/dbraw/zinc/95/39/37/631953937.db2.gz KFTALGGJVGZNRO-ZDUSSCGKSA-N 2 0 268.405 0.946 20 30 CCEDRP CC#CCN1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352474 650075181 /nfs/dbraw/zinc/07/51/81/650075181.db2.gz ZBGQXCVXTDZOFM-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989523405 633324650 /nfs/dbraw/zinc/32/46/50/633324650.db2.gz SHHCYRXOICOFOX-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000989828660 633364839 /nfs/dbraw/zinc/36/48/39/633364839.db2.gz HCJBXKLECTXXBF-GOEBONIOSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793368 638115316 /nfs/dbraw/zinc/11/53/16/638115316.db2.gz UEVOBKQGSFVMBT-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP COCCNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000183645960 638593490 /nfs/dbraw/zinc/59/34/90/638593490.db2.gz SFWCJGBAQXHLKE-UHFFFAOYSA-N 2 0 256.394 0.659 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996619360 638824864 /nfs/dbraw/zinc/82/48/64/638824864.db2.gz ZTYGMMRWILDDLX-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CC1(C)C ZINC000996640751 638826195 /nfs/dbraw/zinc/82/61/95/638826195.db2.gz BRODTBHTFBNJPY-KBPBESRZSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014455544 650452952 /nfs/dbraw/zinc/45/29/52/650452952.db2.gz MAHQBLMIQZKXQH-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCF)C2)CC1 ZINC001000993800 639211729 /nfs/dbraw/zinc/21/17/29/639211729.db2.gz TUSPIXHLWBYDHG-HNNXBMFYSA-N 2 0 295.402 0.882 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004149934 639697961 /nfs/dbraw/zinc/69/79/61/639697961.db2.gz ODJJPEOLXBBRKR-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C[C@@H]1CNC(NN=C2CC[NH+](CC(C)(C)O)CC2)=[NH+]1 ZINC000814225049 641061266 /nfs/dbraw/zinc/06/12/66/641061266.db2.gz CRGTXLMEQATPAS-SNVBAGLBSA-N 2 0 267.377 0.146 20 30 CCEDRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000831971315 642423422 /nfs/dbraw/zinc/42/34/22/642423422.db2.gz VFJAXYZLGSDJAH-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000841849642 642843475 /nfs/dbraw/zinc/84/34/75/642843475.db2.gz DWWWJXNGBWHAPK-BNOWGMLFSA-N 2 0 270.336 0.101 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858697 644027697 /nfs/dbraw/zinc/02/76/97/644027697.db2.gz GFLHISRMNUWTSN-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000852860295 644028628 /nfs/dbraw/zinc/02/86/28/644028628.db2.gz OXRBTFBSDZJCRG-LSDHHAIUSA-N 2 0 275.396 0.732 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000852865205 644031395 /nfs/dbraw/zinc/03/13/95/644031395.db2.gz VGCGWTJZMSMSJC-HNNXBMFYSA-N 2 0 275.396 0.686 20 30 CCEDRP [NH3+]CC[C@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852879909 644039296 /nfs/dbraw/zinc/03/92/96/644039296.db2.gz HRBIIBMYBCKGGK-CQSZACIVSA-N 2 0 263.385 0.719 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274615 650955150 /nfs/dbraw/zinc/95/51/50/650955150.db2.gz IFWNZPGPOYHKGD-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccc(N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000866702707 645578623 /nfs/dbraw/zinc/57/86/23/645578623.db2.gz AEEXZHKBADMPOX-UHFFFAOYSA-N 2 0 274.368 0.656 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179056 651046606 /nfs/dbraw/zinc/04/66/06/651046606.db2.gz MLHZKJVZWIRHCD-AJNGGQMLSA-N 2 0 293.411 0.663 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001020214621 651050163 /nfs/dbraw/zinc/05/01/63/651050163.db2.gz ZCVLVXTYTGBANQ-IHRRRGAJSA-N 2 0 263.385 0.731 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+](C)C ZINC000876735518 646653032 /nfs/dbraw/zinc/65/30/32/646653032.db2.gz PAXYNBCPPFOWKX-NHYWBVRUSA-N 2 0 286.379 0.811 20 30 CCEDRP C[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876835956 646677965 /nfs/dbraw/zinc/67/79/65/646677965.db2.gz HWNIXJCJGHDHSQ-ZANVPECISA-N 2 0 258.325 0.208 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877264885 646772249 /nfs/dbraw/zinc/77/22/49/646772249.db2.gz BLABTCQLCQYVNW-HUUCEWRRSA-N 2 0 275.396 0.590 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]([NH3+])c1ccccc1)C2 ZINC000884026513 647616263 /nfs/dbraw/zinc/61/62/63/647616263.db2.gz GCYWJVPQOGNSSG-GYMHETDLSA-N 2 0 298.390 0.942 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000884202355 647666894 /nfs/dbraw/zinc/66/68/94/647666894.db2.gz WZJVYDHIDQFMEC-WULFKBJJSA-N 2 0 288.395 0.479 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)C[NH2+]1 ZINC000884246391 647678622 /nfs/dbraw/zinc/67/86/22/647678622.db2.gz PWPZQHOJGBOMIT-XSDWYMGYSA-N 2 0 276.384 0.335 20 30 CCEDRP [NH2+]=C(NCC[NH+]1CCCCCC1)N1CCOCC1 ZINC000104168389 648203846 /nfs/dbraw/zinc/20/38/46/648203846.db2.gz KOXLHHBXCNYVCC-UHFFFAOYSA-N 2 0 254.378 0.509 20 30 CCEDRP COCCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303267787 649813724 /nfs/dbraw/zinc/81/37/24/649813724.db2.gz XRBVMBKGPLRKGW-UHFFFAOYSA-N 2 0 256.394 0.802 20 30 CCEDRP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000303408243 649819064 /nfs/dbraw/zinc/81/90/64/649819064.db2.gz TUHHXXNHAVDTTI-PWSUYJOCSA-N 2 0 254.378 0.552 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000303893703 649826421 /nfs/dbraw/zinc/82/64/21/649826421.db2.gz SCLZVRILUFKXPR-CYBMUJFWSA-N 2 0 299.488 0.233 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NC(C)C)CC1 ZINC000303900224 649826924 /nfs/dbraw/zinc/82/69/24/649826924.db2.gz SDHGRIHMPPCDLH-LBPRGKRZSA-N 2 0 255.410 0.325 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303976752 649827634 /nfs/dbraw/zinc/82/76/34/649827634.db2.gz KNVSCUWENXBLDV-MNOVXSKESA-N 2 0 270.377 0.184 20 30 CCEDRP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+](C)C1CC1 ZINC000303991483 649827923 /nfs/dbraw/zinc/82/79/23/649827923.db2.gz ZLYBXYFGIAGFHJ-CYBMUJFWSA-N 2 0 297.447 0.096 20 30 CCEDRP CC(C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304746906 649838345 /nfs/dbraw/zinc/83/83/45/649838345.db2.gz VOEVYDRCLSRNQA-UHFFFAOYSA-N 2 0 255.410 0.325 20 30 CCEDRP CCN(CC)C(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304762354 649838736 /nfs/dbraw/zinc/83/87/36/649838736.db2.gz VPDZZHZEHGWGEO-UHFFFAOYSA-N 2 0 256.394 0.754 20 30 CCEDRP C=CCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048678 805578107 /nfs/dbraw/zinc/57/81/07/805578107.db2.gz OFFKWDMHLXQXES-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001266284338 790402715 /nfs/dbraw/zinc/40/27/15/790402715.db2.gz BNGRONXZQBDMKL-VXGBXAGGSA-N 2 0 260.341 0.585 20 30 CCEDRP C=CC[NH+](CCO)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001098524280 790470851 /nfs/dbraw/zinc/47/08/51/790470851.db2.gz GEOGLWQXNJOJAD-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415176 790660383 /nfs/dbraw/zinc/66/03/83/790660383.db2.gz RNIBWWRVVOMRBE-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001266995303 791429897 /nfs/dbraw/zinc/42/98/97/791429897.db2.gz QSBZZSSTHJQUPE-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277822923 806162405 /nfs/dbraw/zinc/16/24/05/806162405.db2.gz HONDSOZQLFNXPO-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](CCCC#N)C2 ZINC001277945158 806422299 /nfs/dbraw/zinc/42/22/99/806422299.db2.gz ONXRZRSTXFOOHW-KGLIPLIRSA-N 2 0 250.390 0.858 20 30 CCEDRP C=CCCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001278105231 806675280 /nfs/dbraw/zinc/67/52/80/806675280.db2.gz GUXDHBQUAGFPLZ-CQSZACIVSA-N 2 0 295.427 0.648 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001278105839 806675378 /nfs/dbraw/zinc/67/53/78/806675378.db2.gz PTNHBHXLPABFMU-OLZOCXBDSA-N 2 0 269.389 0.114 20 30 CCEDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001120562321 798866255 /nfs/dbraw/zinc/86/62/55/798866255.db2.gz YRWTWTBZEQCZOB-ZDUSSCGKSA-N 2 0 268.405 0.124 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001120609083 798887669 /nfs/dbraw/zinc/88/76/69/798887669.db2.gz ZMBQSWQZVQGJLM-NWDGAFQWSA-N 2 0 251.374 0.444 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC001122039249 799130199 /nfs/dbraw/zinc/13/01/99/799130199.db2.gz FLGIBHPZRDYXKI-UHFFFAOYSA-N 2 0 286.379 0.637 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001122168010 799159642 /nfs/dbraw/zinc/15/96/42/799159642.db2.gz YHYSHPNSNLCDOF-LLVKDONJSA-N 2 0 255.362 0.294 20 30 CCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001278165159 806737339 /nfs/dbraw/zinc/73/73/39/806737339.db2.gz UIVHQAIPBFCWOO-CABCVRRESA-N 2 0 295.427 0.339 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149848975 800302925 /nfs/dbraw/zinc/30/29/25/800302925.db2.gz QLOZMISAAFEVMP-LSDHHAIUSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152147325 800495426 /nfs/dbraw/zinc/49/54/26/800495426.db2.gz LUXUHQGLNYLJOO-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCOCC)CC1 ZINC001152330695 800511122 /nfs/dbraw/zinc/51/11/22/800511122.db2.gz SJBWKVCUFOFDDF-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCC=C)CC1 ZINC001152330955 800511325 /nfs/dbraw/zinc/51/13/25/800511325.db2.gz YGJHZCAFTDZKDK-UHFFFAOYSA-N 2 0 293.411 0.240 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001154012409 800703685 /nfs/dbraw/zinc/70/36/85/800703685.db2.gz DXFLCJBZGRSMLV-CHWSQXEVSA-N 2 0 253.390 0.786 20 30 CCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156383464 801159089 /nfs/dbraw/zinc/15/90/89/801159089.db2.gz LBULIAFJWDGUID-CYBMUJFWSA-N 2 0 271.405 0.577 20 30 CCEDRP N#Cc1ccc2c(c1)n[nH]c2C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001156889093 801255409 /nfs/dbraw/zinc/25/54/09/801255409.db2.gz GYRLJVOQBDIZBG-UHFFFAOYSA-N 2 0 299.338 0.509 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@H](C[NH3+])[C@@H]2C)C1 ZINC001157840430 801497721 /nfs/dbraw/zinc/49/77/21/801497721.db2.gz AUORGQGRXUZHFB-SCRDCRAPSA-N 2 0 251.374 0.880 20 30 CCEDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001158403312 801637291 /nfs/dbraw/zinc/63/72/91/801637291.db2.gz DQYQTDJELUVSSO-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001160670004 801995823 /nfs/dbraw/zinc/99/58/23/801995823.db2.gz POOYGGDNRHTOMO-HNNXBMFYSA-N 2 0 279.384 0.050 20 30 CCEDRP N#CCCN(CCC#N)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160749966 802013422 /nfs/dbraw/zinc/01/34/22/802013422.db2.gz CSEATHZPYVRQOP-ZDUSSCGKSA-N 2 0 289.383 0.517 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161419984 802153122 /nfs/dbraw/zinc/15/31/22/802153122.db2.gz BIOKUCKQIOZREF-GJZGRUSLSA-N 2 0 284.363 0.345 20 30 CCEDRP C[NH+](C)C1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001163932878 802635518 /nfs/dbraw/zinc/63/55/18/802635518.db2.gz WLIHGJNEUBBMKI-UHFFFAOYSA-N 2 0 271.368 0.739 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001165727627 802862935 /nfs/dbraw/zinc/86/29/35/802862935.db2.gz FBZOYGQEPNTVJP-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165764091 802863873 /nfs/dbraw/zinc/86/38/73/802863873.db2.gz LSGABIOIJSRYQG-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166764652 802958294 /nfs/dbraw/zinc/95/82/94/802958294.db2.gz JLRAKMGIQQALCP-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276724 803587266 /nfs/dbraw/zinc/58/72/66/803587266.db2.gz CBFGBOGZXSRHCN-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088578149 814951340 /nfs/dbraw/zinc/95/13/40/814951340.db2.gz JGMWGDDOWNSGIX-TUVASFSCSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211269313 803674691 /nfs/dbraw/zinc/67/46/91/803674691.db2.gz PPBKMNJXLSBODA-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213458212 803695509 /nfs/dbraw/zinc/69/55/09/803695509.db2.gz OUZJAQTXWQOIII-HZSPNIEDSA-N 2 0 281.400 0.165 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646100 803755008 /nfs/dbraw/zinc/75/50/08/803755008.db2.gz KWEYUHXNJBEPHP-VNQPRFMTSA-N 2 0 289.423 0.788 20 30 CCEDRP C#Cc1cnc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(C#C)n1 ZINC001218657519 804068672 /nfs/dbraw/zinc/06/86/72/804068672.db2.gz MIEXPUNEYHTPCC-NSHDSACASA-N 2 0 285.351 0.224 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cn(C)nc1C#N ZINC001218669331 804075397 /nfs/dbraw/zinc/07/53/97/804075397.db2.gz MSKZHCMDQUTNSG-NSHDSACASA-N 2 0 292.387 0.726 20 30 CCEDRP N#Cc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ccc1O ZINC001218954525 804166121 /nfs/dbraw/zinc/16/61/21/804166121.db2.gz OZKYCHFEWQDAAS-LLVKDONJSA-N 2 0 272.308 0.011 20 30 CCEDRP COc1cccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1C#N ZINC001218978207 804171100 /nfs/dbraw/zinc/17/11/00/804171100.db2.gz NHDGVEFNZMIZKQ-AWEZNQCLSA-N 2 0 288.351 0.832 20 30 CCEDRP N#C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccccc1 ZINC001219558225 804347423 /nfs/dbraw/zinc/34/74/23/804347423.db2.gz NJRGKTFVMUCKQM-STQMWFEESA-N 2 0 260.341 0.824 20 30 CCEDRP N#CC1(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCC1 ZINC001219632941 804381950 /nfs/dbraw/zinc/38/19/50/804381950.db2.gz UQYIDSHMIZESOV-NSHDSACASA-N 2 0 252.362 0.643 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456350 815014973 /nfs/dbraw/zinc/01/49/73/815014973.db2.gz QUDXZENZZFCBMK-MCIONIFRSA-N 2 0 281.400 0.207 20 30 CCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275000 804558722 /nfs/dbraw/zinc/55/87/22/804558722.db2.gz LCEGSAVDUXSYQE-MCIONIFRSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220379610 804587266 /nfs/dbraw/zinc/58/72/66/804587266.db2.gz BNBXRCJOLRSBSS-RDBSUJKOSA-N 2 0 283.416 0.454 20 30 CCEDRP C#Cc1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001220380591 804588854 /nfs/dbraw/zinc/58/88/54/804588854.db2.gz AHYKDAHSNCFZCT-OAHLLOKOSA-N 2 0 271.364 0.611 20 30 CCEDRP C=C[C@H]1C[C@]1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220572957 804627940 /nfs/dbraw/zinc/62/79/40/804627940.db2.gz CWTUERJBHVFEKH-SLEUVZQESA-N 2 0 297.399 0.457 20 30 CCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCCCC[NH3+] ZINC001221346966 804785356 /nfs/dbraw/zinc/78/53/56/804785356.db2.gz BQOISGATCFWYHT-CABCVRRESA-N 2 0 286.379 0.716 20 30 CCEDRP C#CCC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001272178595 815037759 /nfs/dbraw/zinc/03/77/59/815037759.db2.gz MGUXMVLNOWWNCC-UHFFFAOYSA-N 2 0 253.390 0.740 20 30 CCEDRP CC#CCN1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001276910344 804985141 /nfs/dbraw/zinc/98/51/41/804985141.db2.gz YLJWNILJUGCUGO-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CN1[C@@H]2C[C@@H](OCC3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224451709 805038918 /nfs/dbraw/zinc/03/89/18/805038918.db2.gz ADRQIABKEUHOPX-ABWMFPBJSA-N 2 0 266.385 0.957 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229503871 805539077 /nfs/dbraw/zinc/53/90/77/805539077.db2.gz NZPCBBLGABIPTI-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020399 807120017 /nfs/dbraw/zinc/12/00/17/807120017.db2.gz LBCKIMOGVSLWBG-CHWSQXEVSA-N 2 0 258.337 0.150 20 30 CCEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246190228 807181718 /nfs/dbraw/zinc/18/17/18/807181718.db2.gz CLTFQJAVTDMFNL-OAHLLOKOSA-N 2 0 270.380 0.784 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC001246305379 807216615 /nfs/dbraw/zinc/21/66/15/807216615.db2.gz QRFPSJZRSCDKPU-IHRRRGAJSA-N 2 0 283.416 0.943 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278499709 807507460 /nfs/dbraw/zinc/50/74/60/807507460.db2.gz WWHGOKDWESXINH-DOTOQJQBSA-N 2 0 289.423 0.790 20 30 CCEDRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001251708752 807697137 /nfs/dbraw/zinc/69/71/37/807697137.db2.gz XJRIDUKGXLVEDO-CQSZACIVSA-N 2 0 280.416 0.723 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001251885083 807733977 /nfs/dbraw/zinc/73/39/77/807733977.db2.gz NISSUUVMXAWRKN-ZIAGYGMSSA-N 2 0 254.374 0.319 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001251893816 807738823 /nfs/dbraw/zinc/73/88/23/807738823.db2.gz KNNMYYXVQMSCKJ-INIZCTEOSA-N 2 0 289.379 0.651 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C ZINC001278666892 807863602 /nfs/dbraw/zinc/86/36/02/807863602.db2.gz IRDPKTPUXMBCOZ-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001278728554 808076109 /nfs/dbraw/zinc/07/61/09/808076109.db2.gz QFQBEPATYKWUOY-UHFFFAOYSA-N 2 0 293.411 0.361 20 30 CCEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1CCS(=O)(=O)C1 ZINC001254328440 808211633 /nfs/dbraw/zinc/21/16/33/808211633.db2.gz RDLLJFQPCPUERP-CQSZACIVSA-N 2 0 295.408 0.840 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024007 808622361 /nfs/dbraw/zinc/62/23/61/808622361.db2.gz FIOIYCRHWREIMN-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001279038417 808631928 /nfs/dbraw/zinc/63/19/28/808631928.db2.gz IQMRPIIJAFUDTM-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH3+] ZINC001261434808 808976754 /nfs/dbraw/zinc/97/67/54/808976754.db2.gz XAROQYYZZWDLEV-CYBMUJFWSA-N 2 0 260.341 0.783 20 30 CCEDRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001261552603 809018930 /nfs/dbraw/zinc/01/89/30/809018930.db2.gz WRTIMWYWLRACOX-WCQYABFASA-N 2 0 266.389 0.983 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242754 815266811 /nfs/dbraw/zinc/26/68/11/815266811.db2.gz QJBBUOFNEUJVJC-SOUVJXGZSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC001263025513 809427918 /nfs/dbraw/zinc/42/79/18/809427918.db2.gz HATDJEQUXQIPMS-UHFFFAOYSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467561 815301549 /nfs/dbraw/zinc/30/15/49/815301549.db2.gz MXEVFEYGNMSDSA-LSDHHAIUSA-N 2 0 287.407 0.638 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157687 809634555 /nfs/dbraw/zinc/63/45/55/809634555.db2.gz OUERBVHMTPBVLL-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264408813 809653187 /nfs/dbraw/zinc/65/31/87/809653187.db2.gz VSHNMEVPTNVSEY-XQQFMLRXSA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001264617408 809665617 /nfs/dbraw/zinc/66/56/17/809665617.db2.gz MSLVNBOQPWKKGM-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076572675 815310601 /nfs/dbraw/zinc/31/06/01/815310601.db2.gz DQPMCVNZAROHNU-UONOGXRCSA-N 2 0 263.385 0.801 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001265259922 809734214 /nfs/dbraw/zinc/73/42/14/809734214.db2.gz QCXCBYTXLNHVID-HNNXBMFYSA-N 2 0 294.443 0.391 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001265775041 809850639 /nfs/dbraw/zinc/85/06/39/809850639.db2.gz MKPBGOUNNWDUAF-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265939894 809900335 /nfs/dbraw/zinc/90/03/35/809900335.db2.gz BLZNAMNQATZSMV-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC001265978588 809910852 /nfs/dbraw/zinc/91/08/52/809910852.db2.gz RJCUFEPWSZNBLH-UHFFFAOYSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266156131 809950564 /nfs/dbraw/zinc/95/05/64/809950564.db2.gz VTNLAHNQCNUXNI-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266184359 809956788 /nfs/dbraw/zinc/95/67/88/809956788.db2.gz HXSTVTWDJLRTAF-QWHCGFSZSA-N 2 0 253.390 0.690 20 30 CCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001279453066 809979571 /nfs/dbraw/zinc/97/95/71/809979571.db2.gz CNDMQTUPLJTZBV-AWEZNQCLSA-N 2 0 294.443 0.294 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001279520508 809985350 /nfs/dbraw/zinc/98/53/50/809985350.db2.gz XYXWISNCNMLVSZ-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267380249 811248236 /nfs/dbraw/zinc/24/82/36/811248236.db2.gz SPEROTHQWNWOHD-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100676345 811342359 /nfs/dbraw/zinc/34/23/59/811342359.db2.gz LRLUDMCXKRJNOU-NFOMZHRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001279746276 811633349 /nfs/dbraw/zinc/63/33/49/811633349.db2.gz KBSZWGFLIMDLMX-LSDHHAIUSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267993351 811930801 /nfs/dbraw/zinc/93/08/01/811930801.db2.gz XUUSEHIETHKJAO-AWEZNQCLSA-N 2 0 295.427 0.320 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214746 812367061 /nfs/dbraw/zinc/36/70/61/812367061.db2.gz WKMBFSHDHUGVSH-GJZGRUSLSA-N 2 0 277.412 0.692 20 30 CCEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028312035 812611319 /nfs/dbraw/zinc/61/13/19/812611319.db2.gz AQLLWOYAZGZAHP-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545897 812835541 /nfs/dbraw/zinc/83/55/41/812835541.db2.gz UQYRWTCRKBRFHW-ZFWWWQNUSA-N 2 0 277.412 0.952 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001268756377 813068689 /nfs/dbraw/zinc/06/86/89/813068689.db2.gz JMYXHZNNHYXIFX-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001269135314 813233375 /nfs/dbraw/zinc/23/33/75/813233375.db2.gz KHWRXXPXTLZAHH-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001269149433 813239837 /nfs/dbraw/zinc/23/98/37/813239837.db2.gz QXURTTMKRUKBEZ-HNNXBMFYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270050147 813601017 /nfs/dbraw/zinc/60/10/17/813601017.db2.gz JMTCMHSVWPBFTF-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270067193 813610769 /nfs/dbraw/zinc/61/07/69/813610769.db2.gz RSSMLSOIUOUMHH-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200982 814446134 /nfs/dbraw/zinc/44/61/34/814446134.db2.gz FBIFEEDJQWTRID-CABCVRRESA-N 2 0 275.396 0.496 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065604 815620622 /nfs/dbraw/zinc/62/06/22/815620622.db2.gz BVLIDNYLEZLQEB-AWEZNQCLSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001271929864 814632919 /nfs/dbraw/zinc/63/29/19/814632919.db2.gz FADRJHLYUNXHLX-STQMWFEESA-N 2 0 253.390 0.855 20 30 CCEDRP C=CCCN1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030964312 816510842 /nfs/dbraw/zinc/51/08/42/816510842.db2.gz ULHPECPBGJFZGZ-WCQYABFASA-N 2 0 251.374 0.561 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106663109 816842550 /nfs/dbraw/zinc/84/25/50/816842550.db2.gz RQCAQCJWGWYWQB-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475100 817147478 /nfs/dbraw/zinc/14/74/78/817147478.db2.gz QJYINJPERWZKHW-ZDUSSCGKSA-N 2 0 251.374 0.610 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089868509 817574118 /nfs/dbraw/zinc/57/41/18/817574118.db2.gz CTDRAHGIVTXEHG-HNKHHVNMSA-N 2 0 298.390 0.754 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078782747 818052097 /nfs/dbraw/zinc/05/20/97/818052097.db2.gz FVOLVRLPDDBAOH-UONOGXRCSA-N 2 0 287.407 0.732 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660592 818882676 /nfs/dbraw/zinc/88/26/76/818882676.db2.gz IVHARCJWWDSDTA-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207688 819124693 /nfs/dbraw/zinc/12/46/93/819124693.db2.gz NOWQYNCKQMFXJP-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726094 820459973 /nfs/dbraw/zinc/45/99/73/820459973.db2.gz BAIFLPJYOQDJFB-AAVRWANBSA-N 2 0 265.401 0.949 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923414 821064533 /nfs/dbraw/zinc/06/45/33/821064533.db2.gz IXLQEHSQZKBWEB-RBSFLKMASA-N 2 0 295.427 0.577 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393969 821094248 /nfs/dbraw/zinc/09/42/48/821094248.db2.gz SAQPKYOLOLIINC-ZIAGYGMSSA-N 2 0 293.411 0.352 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775394 821387159 /nfs/dbraw/zinc/38/71/59/821387159.db2.gz FBEMEGLQDJVNNB-BZUAXINKSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273297982 821570023 /nfs/dbraw/zinc/57/00/23/821570023.db2.gz FYHZRUOUUMKMGI-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100079038 822245975 /nfs/dbraw/zinc/24/59/75/822245975.db2.gz SLDLGXJTEKVFHJ-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541694 836336867 /nfs/dbraw/zinc/33/68/67/836336867.db2.gz OBOGCHKVVAJYHN-UHFFFAOYSA-N 2 0 269.389 0.379 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351725 836492467 /nfs/dbraw/zinc/49/24/67/836492467.db2.gz NQQCJWWEBIVWPK-UHFFFAOYSA-N 2 0 259.781 0.929 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108757393 836521632 /nfs/dbraw/zinc/52/16/32/836521632.db2.gz LMHORAZMXFYVSY-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108792620 836527769 /nfs/dbraw/zinc/52/77/69/836527769.db2.gz XCHXWWAKUGQJDU-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364537 836528437 /nfs/dbraw/zinc/52/84/37/836528437.db2.gz WNLLVINLRNSUOE-OAHLLOKOSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800846 836528803 /nfs/dbraw/zinc/52/88/03/836528803.db2.gz NCNBDZSNZQSGPI-ZNMIVQPWSA-N 2 0 293.411 0.167 20 30 CCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132277 836728027 /nfs/dbraw/zinc/72/80/27/836728027.db2.gz RFYJXFLTWAIAPP-HUUCEWRRSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681438 838172854 /nfs/dbraw/zinc/17/28/54/838172854.db2.gz BPTLJQXLKSCWHK-GOEBONIOSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681440 838173169 /nfs/dbraw/zinc/17/31/69/838173169.db2.gz BPTLJQXLKSCWHK-ZBFHGGJFSA-N 2 0 293.411 0.263 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848329 838505833 /nfs/dbraw/zinc/50/58/33/838505833.db2.gz FBSOGBYYOGPOLV-CQSZACIVSA-N 2 0 299.415 0.004 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245779 838582580 /nfs/dbraw/zinc/58/25/80/838582580.db2.gz KTSSEMMVNFZVAW-GJZGRUSLSA-N 2 0 295.427 0.272 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419724 838623286 /nfs/dbraw/zinc/62/32/86/838623286.db2.gz VVVGXNQSJQOFKC-CYBMUJFWSA-N 2 0 271.405 0.481 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134763299 839065128 /nfs/dbraw/zinc/06/51/28/839065128.db2.gz UFWPZPZVZCKGTK-OAHLLOKOSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134766391 839066632 /nfs/dbraw/zinc/06/66/32/839066632.db2.gz GYTWEJGRLVPUMH-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086734392 839256565 /nfs/dbraw/zinc/25/65/65/839256565.db2.gz FWPOQDIYVZTQLB-RRFJBIMHSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804189 839422313 /nfs/dbraw/zinc/42/23/13/839422313.db2.gz GBTSAXFCSROQOI-KGLIPLIRSA-N 2 0 295.427 0.603 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001135841875 839435184 /nfs/dbraw/zinc/43/51/84/839435184.db2.gz VBZIPERDULZFRY-UHFFFAOYSA-N 2 0 274.368 0.848 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185743850 844455906 /nfs/dbraw/zinc/45/59/06/844455906.db2.gz YFHCUGWVSSJLSZ-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(CO)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC001136542162 839653843 /nfs/dbraw/zinc/65/38/43/839653843.db2.gz YYFJMYYHMBDULA-AWEZNQCLSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817911 839832039 /nfs/dbraw/zinc/83/20/39/839832039.db2.gz UBIJGWYTTNGXMI-UONOGXRCSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171159931 840003586 /nfs/dbraw/zinc/00/35/86/840003586.db2.gz AMGJIUCLBYVMJH-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147341512 840558448 /nfs/dbraw/zinc/55/84/48/840558448.db2.gz UWYWEFACTGCTSZ-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186488207 844552659 /nfs/dbraw/zinc/55/26/59/844552659.db2.gz ODRZZSMYYDZUCR-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186621868 844576421 /nfs/dbraw/zinc/57/64/21/844576421.db2.gz DMUFDEDHYFYTBR-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148651943 840865718 /nfs/dbraw/zinc/86/57/18/840865718.db2.gz RZZZVWJCOFJODR-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092012002 840987075 /nfs/dbraw/zinc/98/70/75/840987075.db2.gz LJAFXEPMFZCLQF-INMHGKMJSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824865 844606144 /nfs/dbraw/zinc/60/61/44/844606144.db2.gz OYAFQVFPZUCDDV-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337834 841793491 /nfs/dbraw/zinc/79/34/91/841793491.db2.gz WJCCBFGHCLKKQF-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072176 842307505 /nfs/dbraw/zinc/30/75/05/842307505.db2.gz MOWFLOKQJJDHAY-LLVKDONJSA-N 2 0 259.781 0.787 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C#Cc1cccnc1 ZINC001177782382 842675655 /nfs/dbraw/zinc/67/56/55/842675655.db2.gz NJWBUCRLQIQFMF-UHFFFAOYSA-N 2 0 287.367 0.497 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178990176 842954737 /nfs/dbraw/zinc/95/47/37/842954737.db2.gz LPCQCHRBDMDVPV-MELADBBJSA-N 2 0 265.401 0.929 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)NCCc1cn(C)cn1 ZINC001183079901 843960752 /nfs/dbraw/zinc/96/07/52/843960752.db2.gz GWOCPQGFFNMSEG-UHFFFAOYSA-N 2 0 262.357 0.731 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121084 844653135 /nfs/dbraw/zinc/65/31/35/844653135.db2.gz BNBPCTWKLVKDCT-CYBMUJFWSA-N 2 0 261.369 0.296 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400931 845131033 /nfs/dbraw/zinc/13/10/33/845131033.db2.gz QONNSNJGQRZZCM-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001205461577 845193133 /nfs/dbraw/zinc/19/31/33/845193133.db2.gz NXVUMMPAJRTAPZ-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189907017 845263476 /nfs/dbraw/zinc/26/34/76/845263476.db2.gz POHYVLFOFBKLEP-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444263 845400140 /nfs/dbraw/zinc/40/01/40/845400140.db2.gz QARLMQVSRSFJCV-KBPBESRZSA-N 2 0 283.391 0.832 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960878 846187902 /nfs/dbraw/zinc/18/79/02/846187902.db2.gz GMQPOUQYIVLCCV-MCIONIFRSA-N 2 0 283.416 0.310 20 30 CCEDRP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195267146 846486834 /nfs/dbraw/zinc/48/68/34/846486834.db2.gz FFNGGPCRQCMIHC-HNNXBMFYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195973253 846656744 /nfs/dbraw/zinc/65/67/44/846656744.db2.gz SLVHGIPFBHGEGU-MGPQQGTHSA-N 2 0 283.416 0.310 20 30 CCEDRP C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2CCC[NH+](C)C ZINC001273712579 846687594 /nfs/dbraw/zinc/68/75/94/846687594.db2.gz XLNOPYFPGHZOCT-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198038058 847036397 /nfs/dbraw/zinc/03/63/97/847036397.db2.gz INTVOQYQENSQAB-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688542 847680990 /nfs/dbraw/zinc/68/09/90/847680990.db2.gz RYAQOOFGBIRNGM-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201932411 847829549 /nfs/dbraw/zinc/82/95/49/847829549.db2.gz YLADTEKZUVRDHZ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201909516 847833873 /nfs/dbraw/zinc/83/38/73/847833873.db2.gz XIIZMWGGEBRVBV-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056815 847851543 /nfs/dbraw/zinc/85/15/43/847851543.db2.gz BWEOZOIFBQMAPK-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056812 847851834 /nfs/dbraw/zinc/85/18/34/847851834.db2.gz BWEOZOIFBQMAPK-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001252473986 847979700 /nfs/dbraw/zinc/97/97/00/847979700.db2.gz UKVPGAXBNUPNGI-RBSFLKMASA-N 2 0 268.401 0.824 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275405941 848711059 /nfs/dbraw/zinc/71/10/59/848711059.db2.gz ILBJSAOSZGDCLS-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275415686 848715479 /nfs/dbraw/zinc/71/54/79/848715479.db2.gz QRZZDKLDUJMKJP-KBPBESRZSA-N 2 0 295.427 0.603 20 30 CCEDRP C#CCNC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691889244 849030152 /nfs/dbraw/zinc/03/01/52/849030152.db2.gz VYIQZTGEQZEGBF-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038921106 850085108 /nfs/dbraw/zinc/08/51/08/850085108.db2.gz QDQRDTAZHMAVQX-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832425 850509603 /nfs/dbraw/zinc/50/96/03/850509603.db2.gz YHEFALGQGPCYSD-RDJZCZTQSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046587181 851557395 /nfs/dbraw/zinc/55/73/95/851557395.db2.gz AZYAYJHPOSYGSN-INIZCTEOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046833257 851625974 /nfs/dbraw/zinc/62/59/74/851625974.db2.gz DXNMQWPHXQZFJV-TZMCWYRMSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001096539956 852294217 /nfs/dbraw/zinc/29/42/17/852294217.db2.gz DDHQVGRSSXDZHY-KBXIAJHMSA-N 2 0 275.396 0.683 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083341 855097356 /nfs/dbraw/zinc/09/73/56/855097356.db2.gz QKSSXFLEBUATNL-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407905 855162182 /nfs/dbraw/zinc/16/21/82/855162182.db2.gz NWPPAORGTLTIAD-PESDSKBTSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001101008670 855253601 /nfs/dbraw/zinc/25/36/01/855253601.db2.gz PFVRUEICJDSHSX-YMAMQOFZSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514515 855443009 /nfs/dbraw/zinc/44/30/09/855443009.db2.gz ZVRBTPPBBVTEKS-QLFBSQMISA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718853 855527166 /nfs/dbraw/zinc/52/71/66/855527166.db2.gz HOZLJVAUHQCYIE-KFWWJZLASA-N 2 0 277.412 0.646 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001118199063 856197631 /nfs/dbraw/zinc/19/76/31/856197631.db2.gz AHFUDPXPPMAFRB-WDEREUQCSA-N 2 0 250.346 0.266 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001118202182 856201385 /nfs/dbraw/zinc/20/13/85/856201385.db2.gz ZLVKSIIMFRPKFQ-GFCCVEGCSA-N 2 0 264.373 0.610 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001324262285 912747825 /nfs/dbraw/zinc/74/78/25/912747825.db2.gz WSZSDIQYIYNCBZ-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001325123486 913228799 /nfs/dbraw/zinc/22/87/99/913228799.db2.gz OZXGIBRHMQFVGG-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865434 891430338 /nfs/dbraw/zinc/43/03/38/891430338.db2.gz GUWRJASRSPHFKA-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001496208435 891938698 /nfs/dbraw/zinc/93/86/98/891938698.db2.gz WWERSYQKDQOTOT-QWHCGFSZSA-N 2 0 253.390 0.786 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325865137 913615570 /nfs/dbraw/zinc/61/55/70/913615570.db2.gz MAIWPLBWLNZUBP-GOEBONIOSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001481019456 892062343 /nfs/dbraw/zinc/06/23/43/892062343.db2.gz SSYUHOBCIPFPOP-UHFFFAOYSA-N 2 0 289.423 0.793 20 30 CCEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001481143777 892222475 /nfs/dbraw/zinc/22/24/75/892222475.db2.gz LQXUMZUNJLUCBO-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C[NH+](C)CC#CCNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001353299898 892348260 /nfs/dbraw/zinc/34/82/60/892348260.db2.gz JHLGCJGQSZKZBC-QGZVFWFLSA-N 2 0 289.423 0.634 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001481243554 892423217 /nfs/dbraw/zinc/42/32/17/892423217.db2.gz VXDGLWZXLANJBY-AWEZNQCLSA-N 2 0 283.416 0.270 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481306451 892558684 /nfs/dbraw/zinc/55/86/84/892558684.db2.gz RTCTXIUOAOGYKL-CYBMUJFWSA-N 2 0 253.390 0.644 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001326001641 913689603 /nfs/dbraw/zinc/68/96/03/913689603.db2.gz NEMISZDCTPOMOQ-NEPJUHHUSA-N 2 0 252.362 0.656 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481812016 893184749 /nfs/dbraw/zinc/18/47/49/893184749.db2.gz FNCJBEXLAIEMMY-GJZGRUSLSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482056075 893337553 /nfs/dbraw/zinc/33/75/53/893337553.db2.gz WDZIVTMWKPOKEV-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317546346 893480996 /nfs/dbraw/zinc/48/09/96/893480996.db2.gz CTQHQWRZBGHCNH-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482269202 893719902 /nfs/dbraw/zinc/71/99/02/893719902.db2.gz LTAHVBFGFOEDHI-VXGBXAGGSA-N 2 0 289.807 0.506 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001500358560 893785122 /nfs/dbraw/zinc/78/51/22/893785122.db2.gz UKWGZVSTYBDMNA-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001482433539 893978910 /nfs/dbraw/zinc/97/89/10/893978910.db2.gz KUJZZQRWHYZPLH-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001326288631 913867936 /nfs/dbraw/zinc/86/79/36/913867936.db2.gz OXMWWMRFBDWYSL-WOPDTQHZSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482737396 894555962 /nfs/dbraw/zinc/55/59/62/894555962.db2.gz LTKINIRPKMRWMT-HUUCEWRRSA-N 2 0 293.411 0.093 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)C1CCC([NH3+])CC1 ZINC001326314286 913885387 /nfs/dbraw/zinc/88/53/87/913885387.db2.gz VBRRGXTYJWSSAT-MCIGGMRASA-N 2 0 252.362 0.736 20 30 CCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840280 894643891 /nfs/dbraw/zinc/64/38/91/894643891.db2.gz SZCWFTZXHRIYQT-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483470520 895593697 /nfs/dbraw/zinc/59/36/97/895593697.db2.gz RPDFNTOSYSHSNG-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597907 895672865 /nfs/dbraw/zinc/67/28/65/895672865.db2.gz DLJRPMRBIMDGAG-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484246267 896276835 /nfs/dbraw/zinc/27/68/35/896276835.db2.gz HTNKYSHEQNXUOL-UKRRQHHQSA-N 2 0 281.400 0.067 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898799 896658131 /nfs/dbraw/zinc/65/81/31/896658131.db2.gz ZZGWXJFVSUGANR-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001493569430 896768611 /nfs/dbraw/zinc/76/86/11/896768611.db2.gz JRESTVCUYPTWRL-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001485619135 897145500 /nfs/dbraw/zinc/14/55/00/897145500.db2.gz MMJHOXHZXWJMDK-FPCVCCKLSA-N 2 0 289.423 0.646 20 30 CCEDRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001326784249 914169243 /nfs/dbraw/zinc/16/92/43/914169243.db2.gz NVGXZYYNRZJGGM-LBPRGKRZSA-N 2 0 252.362 0.608 20 30 CCEDRP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032474279 897620930 /nfs/dbraw/zinc/62/09/30/897620930.db2.gz SMYZVPUSWQBGIQ-MELADBBJSA-N 2 0 263.385 0.635 20 30 CCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485834549 898056265 /nfs/dbraw/zinc/05/62/65/898056265.db2.gz QBSPNKQVKPXYBZ-KBPBESRZSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485854795 898462627 /nfs/dbraw/zinc/46/26/27/898462627.db2.gz GYNVHLYXHIKCMY-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001486035310 898622593 /nfs/dbraw/zinc/62/25/93/898622593.db2.gz ZRCGFSJJNUWEQX-GFCCVEGCSA-N 2 0 271.405 0.217 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486316546 898777159 /nfs/dbraw/zinc/77/71/59/898777159.db2.gz DCXWTZYJDIAADI-NEPJUHHUSA-N 2 0 289.807 0.100 20 30 CCEDRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC#CCOC)C1 ZINC001486480164 898897684 /nfs/dbraw/zinc/89/76/84/898897684.db2.gz OVBWMAFKAOGNIM-UHFFFAOYSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565676 899976429 /nfs/dbraw/zinc/97/64/29/899976429.db2.gz WWWJDKAQSOADSW-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197000340 900059448 /nfs/dbraw/zinc/05/94/48/900059448.db2.gz DWSXPSZVPYAJPW-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001488790681 900391240 /nfs/dbraw/zinc/39/12/40/900391240.db2.gz YHGMUUKIZBVZCY-MCIONIFRSA-N 2 0 265.401 0.999 20 30 CCEDRP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001489169283 900434940 /nfs/dbraw/zinc/43/49/40/900434940.db2.gz RDYWBQPVYOSGHQ-HNNXBMFYSA-N 2 0 295.427 0.247 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001490679666 900686488 /nfs/dbraw/zinc/68/64/88/900686488.db2.gz YGISMMMRYBXVFT-KBPBESRZSA-N 2 0 265.401 0.690 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001275305741 901020845 /nfs/dbraw/zinc/02/08/45/901020845.db2.gz YBMGMWZTEKCEIM-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001491080229 903340567 /nfs/dbraw/zinc/34/05/67/903340567.db2.gz PCWJIXCWPJJTNS-KFWWJZLASA-N 2 0 295.427 0.768 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064255 903832645 /nfs/dbraw/zinc/83/26/45/903832645.db2.gz LOQMGGJDCPOPIG-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001331837984 904017767 /nfs/dbraw/zinc/01/77/67/904017767.db2.gz NXAWQSKPUUKGBJ-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001331837975 904017998 /nfs/dbraw/zinc/01/79/98/904017998.db2.gz NXAWQSKPUUKGBJ-QWHCGFSZSA-N 2 0 266.389 0.950 20 30 CCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001281634695 904315017 /nfs/dbraw/zinc/31/50/17/904315017.db2.gz NRCPRJQPBOBXFY-CQSZACIVSA-N 2 0 295.427 0.293 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001316617500 904420094 /nfs/dbraw/zinc/42/00/94/904420094.db2.gz JMSLOEMXBYKWPV-ZNMIVQPWSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001284876247 905452824 /nfs/dbraw/zinc/45/28/24/905452824.db2.gz QXGOBGOPYNQFNZ-CQSZACIVSA-N 2 0 281.400 0.026 20 30 CCEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491675932 907532008 /nfs/dbraw/zinc/53/20/08/907532008.db2.gz XTQCFWCCDAGEQD-QWHCGFSZSA-N 2 0 269.389 0.235 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001382392791 907720080 /nfs/dbraw/zinc/72/00/80/907720080.db2.gz VTLSXVNQWXJPCT-NEPJUHHUSA-N 2 0 289.807 0.242 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317478058 908465110 /nfs/dbraw/zinc/46/51/10/908465110.db2.gz APEVEFLQKWOXBT-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316992973 908908874 /nfs/dbraw/zinc/90/88/74/908908874.db2.gz WFURCIAOGQGYND-CQSZACIVSA-N 2 0 293.411 0.475 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317033516 908931517 /nfs/dbraw/zinc/93/15/17/908931517.db2.gz HWJXTBWLVLYYSE-KGLIPLIRSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317033515 908931804 /nfs/dbraw/zinc/93/18/04/908931804.db2.gz HWJXTBWLVLYYSE-KBPBESRZSA-N 2 0 263.385 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317124182 908997207 /nfs/dbraw/zinc/99/72/07/908997207.db2.gz BVBWBXVWWBJUDL-BETUJISGSA-N 2 0 261.369 0.342 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317335681 909148817 /nfs/dbraw/zinc/14/88/17/909148817.db2.gz FKYJXNKZTHVYBM-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317414227 909185651 /nfs/dbraw/zinc/18/56/51/909185651.db2.gz OMZHKFNSVLVTJH-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001317801453 909502975 /nfs/dbraw/zinc/50/29/75/909502975.db2.gz PGSQRQKFGKRUAH-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001318318805 909699012 /nfs/dbraw/zinc/69/90/12/909699012.db2.gz BAGPSPGHEVTLKR-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001318594678 909832860 /nfs/dbraw/zinc/83/28/60/909832860.db2.gz JOEXFZKOFQCWCT-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001318607885 909834800 /nfs/dbraw/zinc/83/48/00/909834800.db2.gz SDLMKAVMNCIMMN-MRXNPFEDSA-N 2 0 289.423 0.839 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001319198383 910032304 /nfs/dbraw/zinc/03/23/04/910032304.db2.gz VAJHJJOJUILBJC-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CC)CC1 ZINC001319286661 910065456 /nfs/dbraw/zinc/06/54/56/910065456.db2.gz XLQMGUYSMGFZTP-CYBMUJFWSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[NH+](C)CCN(C)C(=O)CC[N@@H+](C)CCC ZINC001320072480 910449619 /nfs/dbraw/zinc/44/96/19/910449619.db2.gz JJNFJENBKZMSEN-UHFFFAOYSA-N 2 0 253.390 0.742 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321057793 911055405 /nfs/dbraw/zinc/05/54/05/911055405.db2.gz SLSQNCGTDBNSRN-GXMNPTEKSA-N 2 0 263.385 0.754 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C1CCC1 ZINC001321096454 911082229 /nfs/dbraw/zinc/08/22/29/911082229.db2.gz PJXDKGHLCUODEH-WAYWQWQTSA-N 2 0 263.385 0.756 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001321417410 911287359 /nfs/dbraw/zinc/28/73/59/911287359.db2.gz RGSBDESMIUBPSL-PLNGDYQASA-N 2 0 263.385 0.758 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321418920 911293926 /nfs/dbraw/zinc/29/39/26/911293926.db2.gz LZMGUEPLNAXDEX-UZYOAWRESA-N 2 0 263.385 0.756 20 30 CCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321532354 911353181 /nfs/dbraw/zinc/35/31/81/911353181.db2.gz DLTGPJCMPJPVTP-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001322530266 911847630 /nfs/dbraw/zinc/84/76/30/911847630.db2.gz GCYVIEJLEOQIQS-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001328875194 915490509 /nfs/dbraw/zinc/49/05/09/915490509.db2.gz CDHWPJOMVFZEDW-JXQTWKCFSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001330039025 916375149 /nfs/dbraw/zinc/37/51/49/916375149.db2.gz PTINXDIAHGYFCP-CYBMUJFWSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001331643432 917473313 /nfs/dbraw/zinc/47/33/13/917473313.db2.gz HZFOIUOFOQFSPT-AWEZNQCLSA-N 2 0 275.396 0.401 20 30 CCEDRP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001331844080 917657352 /nfs/dbraw/zinc/65/73/52/917657352.db2.gz ZXBZTKQLNDRDMA-HUUCEWRRSA-N 2 0 297.443 0.894 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC001335425934 920190022 /nfs/dbraw/zinc/19/00/22/920190022.db2.gz KIDLFKVTIVIGMI-KGLIPLIRSA-N 2 0 254.374 0.053 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH3+])CC2)CC1 ZINC001336812393 921030315 /nfs/dbraw/zinc/03/03/15/921030315.db2.gz UAISJBYXVWJBHX-UHFFFAOYSA-N 2 0 266.389 0.817 20 30 CCEDRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001341345329 922434566 /nfs/dbraw/zinc/43/45/66/922434566.db2.gz AVJMRAUOPVZICI-NVXWUHKLSA-N 2 0 283.375 0.730 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001341550395 922547878 /nfs/dbraw/zinc/54/78/78/922547878.db2.gz YYPLQSQNKNOBIL-NEPJUHHUSA-N 2 0 252.362 0.656 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001342325937 922912303 /nfs/dbraw/zinc/91/23/03/922912303.db2.gz HPYJLFKZRQJAHK-IVZWLZJFSA-N 2 0 257.765 0.842 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001342462071 922972411 /nfs/dbraw/zinc/97/24/11/922972411.db2.gz NIASQWMNUXFMLB-OAHLLOKOSA-N 2 0 280.416 0.224 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC001342816217 923098314 /nfs/dbraw/zinc/09/83/14/923098314.db2.gz MIOYVUHURLIYPO-LOWDOPEQSA-N 2 0 264.373 0.464 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001342968930 923150325 /nfs/dbraw/zinc/15/03/25/923150325.db2.gz WFFZQILKNGYTDP-GFCCVEGCSA-N 2 0 269.389 0.636 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC001344641902 923658421 /nfs/dbraw/zinc/65/84/21/923658421.db2.gz PFNDKSPZAVHEOW-JHJVBQTASA-N 2 0 266.389 0.759 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479963891 924960896 /nfs/dbraw/zinc/96/08/96/924960896.db2.gz YORFFYAJNAUTMC-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001354299071 926075604 /nfs/dbraw/zinc/07/56/04/926075604.db2.gz VZDPMNKBDLHLIH-CHWSQXEVSA-N 2 0 251.374 0.575 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001355709361 926305851 /nfs/dbraw/zinc/30/58/51/926305851.db2.gz TWDIIKAPJYCSNL-MJBXVCDLSA-N 2 0 263.385 0.398 20 30 CCEDRP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)CN1CC[NH+](C)CC1 ZINC000600724319 362045578 /nfs/dbraw/zinc/04/55/78/362045578.db2.gz GRHPYAGVAPULAQ-LSDHHAIUSA-N 2 0 294.443 0.514 20 30 CCEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600728601 362047454 /nfs/dbraw/zinc/04/74/54/362047454.db2.gz VLELTCOSIAIZDZ-ZIAGYGMSSA-N 2 0 283.416 0.988 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600732617 362048264 /nfs/dbraw/zinc/04/82/64/362048264.db2.gz SPMHTKOXUFDWQS-LBPRGKRZSA-N 2 0 255.362 0.209 20 30 CCEDRP C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1CC[NH+](C)CC1 ZINC000591739754 359650994 /nfs/dbraw/zinc/65/09/94/359650994.db2.gz ZHLRUHCYXMBDLR-UKRRQHHQSA-N 2 0 282.432 0.513 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000592135872 359762398 /nfs/dbraw/zinc/76/23/98/359762398.db2.gz JDDSARFDPOKKBJ-STQMWFEESA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570765 359896051 /nfs/dbraw/zinc/89/60/51/359896051.db2.gz QNVYQLIFCQJGJP-RYUDHWBXSA-N 2 0 264.373 0.798 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436645 360305790 /nfs/dbraw/zinc/30/57/90/360305790.db2.gz PFDWYGXTNWONRZ-CHWSQXEVSA-N 2 0 266.389 0.950 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594576902 360332956 /nfs/dbraw/zinc/33/29/56/360332956.db2.gz FWXAIJWCQQMGBT-MJBXVCDLSA-N 2 0 268.405 0.123 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000594439378 360308321 /nfs/dbraw/zinc/30/83/21/360308321.db2.gz QCZNDBNOYXOHIC-TZMCWYRMSA-N 2 0 264.373 0.610 20 30 CCEDRP C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439624 360308349 /nfs/dbraw/zinc/30/83/49/360308349.db2.gz SQUODGMOPFHRRE-LBPRGKRZSA-N 2 0 252.362 0.562 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000594439890 360308770 /nfs/dbraw/zinc/30/87/70/360308770.db2.gz VTPSAZWUUIMLNU-FQUUOJAGSA-N 2 0 278.400 0.983 20 30 CCEDRP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440991 360309876 /nfs/dbraw/zinc/30/98/76/360309876.db2.gz KLVSOBADVASJLB-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594442328 360310001 /nfs/dbraw/zinc/31/00/01/360310001.db2.gz PIAXVUUAPXDPLU-TUAOUCFPSA-N 2 0 252.362 0.654 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594442377 360310065 /nfs/dbraw/zinc/31/00/65/360310065.db2.gz QPHUHUKEWSMHPH-QWHCGFSZSA-N 2 0 266.389 0.854 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000594450289 360315430 /nfs/dbraw/zinc/31/54/30/360315430.db2.gz WSPLOVYWXQGVQQ-JHJVBQTASA-N 2 0 266.389 0.841 20 30 CCEDRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595946090 360723952 /nfs/dbraw/zinc/72/39/52/360723952.db2.gz BIDGLKCTOMXMCF-NEPJUHHUSA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595946643 360725325 /nfs/dbraw/zinc/72/53/25/360725325.db2.gz LZTAGTYOOZKDSL-AKJDGMEZSA-N 2 0 250.346 0.266 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595904233 360698491 /nfs/dbraw/zinc/69/84/91/360698491.db2.gz BHNLIKDNHHQEIB-CHWSQXEVSA-N 2 0 296.415 0.838 20 30 CCEDRP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000598718518 361495011 /nfs/dbraw/zinc/49/50/11/361495011.db2.gz FRKLYMSVMMNFIW-HUUCEWRRSA-N 2 0 296.459 0.760 20 30 CCEDRP C=CCCCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000656153722 412752068 /nfs/dbraw/zinc/75/20/68/412752068.db2.gz KZANHVHGJXSKGK-HNNXBMFYSA-N 2 0 269.433 0.931 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnn1C ZINC000104171996 389079625 /nfs/dbraw/zinc/07/96/25/389079625.db2.gz MVNJGUMCALLVKC-GFCCVEGCSA-N 2 0 264.377 0.309 20 30 CCEDRP C=CCC[C@@H](O)C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000305724941 389088025 /nfs/dbraw/zinc/08/80/25/389088025.db2.gz LFEQUHRWXKNING-CABCVRRESA-N 2 0 295.427 0.728 20 30 CCEDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCC#N)CC1 ZINC000195519177 389128592 /nfs/dbraw/zinc/12/85/92/389128592.db2.gz LQGIXBFQIWVEDQ-UHFFFAOYSA-N 2 0 266.389 0.680 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123808354 389158074 /nfs/dbraw/zinc/15/80/74/389158074.db2.gz QKTUTEQMKWWGQA-CYBMUJFWSA-N 2 0 276.384 0.977 20 30 CCEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000343078088 389257262 /nfs/dbraw/zinc/25/72/62/389257262.db2.gz LCFGKGYGKHZZEM-UHFFFAOYSA-N 2 0 266.389 0.680 20 30 CCEDRP C[C@@H](C#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000345763387 389314111 /nfs/dbraw/zinc/31/41/11/389314111.db2.gz JJTMAXVJRSYUHP-ZDUSSCGKSA-N 2 0 268.405 0.878 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCc2ccc(N3CC[NH+](C)CC3)nc2)N1 ZINC000262682212 389293531 /nfs/dbraw/zinc/29/35/31/389293531.db2.gz WSCZIHOHZPCJSA-GFCCVEGCSA-N 2 0 288.399 0.271 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000334888283 389508022 /nfs/dbraw/zinc/50/80/22/389508022.db2.gz ANMGVESPBBNHMP-ZIAGYGMSSA-N 2 0 292.427 0.888 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000417521634 389825847 /nfs/dbraw/zinc/82/58/47/389825847.db2.gz FTMWLSNSENWABH-ZDUSSCGKSA-N 2 0 268.405 0.919 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345697 389987394 /nfs/dbraw/zinc/98/73/94/389987394.db2.gz WKTWWGILBLOONT-OLZOCXBDSA-N 2 0 294.399 0.320 20 30 CCEDRP CCCN1CCC[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000583808482 390313100 /nfs/dbraw/zinc/31/31/00/390313100.db2.gz XXVXMJQJNROMTL-GJZGRUSLSA-N 2 0 282.432 0.657 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000570162472 390717382 /nfs/dbraw/zinc/71/73/82/390717382.db2.gz MHWCMWNLAQLIAB-CQSZACIVSA-N 2 0 281.400 0.603 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662407111 414715234 /nfs/dbraw/zinc/71/52/34/414715234.db2.gz SKFSBLYEGFBBHI-JSGCOSHPSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CCC[NH2+]1 ZINC000662710553 414745124 /nfs/dbraw/zinc/74/51/24/414745124.db2.gz HADHSWQANXKHNL-GDBMZVCRSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN(C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857212 414849144 /nfs/dbraw/zinc/84/91/44/414849144.db2.gz IAASZIGVKKCVAM-MRXNPFEDSA-N 2 0 296.459 0.684 20 30 CCEDRP CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329422558 545022575 /nfs/dbraw/zinc/02/25/75/545022575.db2.gz FTWIAGLRQODSPF-AWEZNQCLSA-N 2 0 297.447 0.220 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000491287355 261399107 /nfs/dbraw/zinc/39/91/07/261399107.db2.gz LXIGXNPARUEXRE-UHFFFAOYSA-N 2 0 275.396 0.782 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178769085 329200175 /nfs/dbraw/zinc/20/01/75/329200175.db2.gz KJVFBXBZCNZEMD-ZDUSSCGKSA-N 2 0 251.374 0.895 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCC2=CC[N@H+](C)CC2)CCO1 ZINC000262306779 330005383 /nfs/dbraw/zinc/00/53/83/330005383.db2.gz ASHJMUAPFDGLSX-NSHDSACASA-N 2 0 252.362 0.284 20 30 CCEDRP C#CCNC(NCC[N@@H+]1CCC[C@H](C)C1)=[NH+]CC ZINC000262601401 330022685 /nfs/dbraw/zinc/02/26/85/330022685.db2.gz CYQQKNVSWHGNIL-ZDUSSCGKSA-N 2 0 250.390 0.907 20 30 CCEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCN(C2CC2)C(=O)C1 ZINC000262812023 330033604 /nfs/dbraw/zinc/03/36/04/330033604.db2.gz UMOMJJSGZIJYHL-UHFFFAOYSA-N 2 0 295.431 0.257 20 30 CCEDRP CC1CC[NH+](CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424129744 330260040 /nfs/dbraw/zinc/26/00/40/330260040.db2.gz GUNXKIWDZRWSLW-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCC1 ZINC000424137759 330274960 /nfs/dbraw/zinc/27/49/60/330274960.db2.gz PEYLAICIKAUXRY-LBPRGKRZSA-N 2 0 266.389 0.998 20 30 CCEDRP CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424142154 330284138 /nfs/dbraw/zinc/28/41/38/330284138.db2.gz DHJKFNIPXJBMBX-GFCCVEGCSA-N 2 0 252.362 0.608 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424146909 330293875 /nfs/dbraw/zinc/29/38/75/330293875.db2.gz QKEHJCIXNPBPAE-QWHCGFSZSA-N 2 0 266.389 0.950 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000424179294 330318592 /nfs/dbraw/zinc/31/85/92/330318592.db2.gz SRHPMOCRWJOQQQ-RYUDHWBXSA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000424180771 330318953 /nfs/dbraw/zinc/31/89/53/330318953.db2.gz WKDTTXMLYMZTGD-KBPBESRZSA-N 2 0 278.400 0.856 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000424180775 330319058 /nfs/dbraw/zinc/31/90/58/330319058.db2.gz WKDTTXMLYMZTGD-UONOGXRCSA-N 2 0 278.400 0.856 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000424196673 330325646 /nfs/dbraw/zinc/32/56/46/330325646.db2.gz VMTASYPRIRWKFH-BDAKNGLRSA-N 2 0 260.288 0.121 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471642302 331513966 /nfs/dbraw/zinc/51/39/66/331513966.db2.gz BOWQPOMEAXHSKJ-UHFFFAOYSA-N 2 0 298.431 0.514 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000491067896 332144643 /nfs/dbraw/zinc/14/46/43/332144643.db2.gz LCIWYTXFJWLMKZ-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491631330 332253911 /nfs/dbraw/zinc/25/39/11/332253911.db2.gz NYOGILAVBAUSMX-ZFWWWQNUSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000491709792 332301738 /nfs/dbraw/zinc/30/17/38/332301738.db2.gz PVQIZLJMXUDEQZ-HNNXBMFYSA-N 2 0 288.395 0.941 20 30 CCEDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000577055529 335292021 /nfs/dbraw/zinc/29/20/21/335292021.db2.gz RCJFDVAAZAIDDI-CABCVRRESA-N 2 0 282.432 0.514 20 30 CCEDRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000581994971 336186880 /nfs/dbraw/zinc/18/68/80/336186880.db2.gz AEGXPFVFNLLDGA-CYBMUJFWSA-N 2 0 292.383 0.301 20 30 CCEDRP C=C[C@H](O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000667812139 545156593 /nfs/dbraw/zinc/15/65/93/545156593.db2.gz FFJKTYRDYJAWAL-KBPBESRZSA-N 2 0 283.416 0.408 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730281698 581690980 /nfs/dbraw/zinc/69/09/80/581690980.db2.gz SOATZUNWFOAFEW-ZNMIVQPWSA-N 2 0 291.395 0.063 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000743493251 581814138 /nfs/dbraw/zinc/81/41/38/581814138.db2.gz KVGGWZQWCQCLFI-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260822 612950057 /nfs/dbraw/zinc/95/00/57/612950057.db2.gz GGXVWDNMGUYFNS-KGLIPLIRSA-N 2 0 286.379 0.730 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891921055 613074847 /nfs/dbraw/zinc/07/48/47/613074847.db2.gz IRDWJTQRXZTJPG-NWDGAFQWSA-N 2 0 252.362 0.073 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000854094321 613075029 /nfs/dbraw/zinc/07/50/29/613075029.db2.gz MDWOBDXRUNJBDA-ZDUSSCGKSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC000939421993 612968923 /nfs/dbraw/zinc/96/89/23/612968923.db2.gz LYAOBUNQILISOF-UKRRQHHQSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCOCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000852208899 612983961 /nfs/dbraw/zinc/98/39/61/612983961.db2.gz WNAYDDGPWOTVGS-UHFFFAOYSA-N 2 0 252.358 0.433 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969677799 612994141 /nfs/dbraw/zinc/99/41/41/612994141.db2.gz QKWOQIYIZHDRIX-CZUORRHYSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970875484 612994175 /nfs/dbraw/zinc/99/41/75/612994175.db2.gz PLRJISOLVDDHCW-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883124236 613058742 /nfs/dbraw/zinc/05/87/42/613058742.db2.gz BCAMBVRJQSHGEL-MRXNPFEDSA-N 2 0 287.407 0.912 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861633957 613076642 /nfs/dbraw/zinc/07/66/42/613076642.db2.gz ALTUWLXUIFOMGI-OLZOCXBDSA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000972333114 613080676 /nfs/dbraw/zinc/08/06/76/613080676.db2.gz UAVANYSFVIDPKX-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972266175 613082430 /nfs/dbraw/zinc/08/24/30/613082430.db2.gz QAABKRWEEXLXAU-ZIAGYGMSSA-N 2 0 265.401 0.739 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000971793693 613082923 /nfs/dbraw/zinc/08/29/23/613082923.db2.gz FOKODKOOYFNMKI-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N(C)CCF)C2)CC1 ZINC000980477676 613128986 /nfs/dbraw/zinc/12/89/86/613128986.db2.gz IRXPLFPUHIVWBM-OAHLLOKOSA-N 2 0 295.402 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC)C2)CC1 ZINC000970919123 613131597 /nfs/dbraw/zinc/13/15/97/613131597.db2.gz BKHGCJMFLXUHBS-CYBMUJFWSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000928649697 613132778 /nfs/dbraw/zinc/13/27/78/613132778.db2.gz QCMCSFFXEBDUJM-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000928655855 613135746 /nfs/dbraw/zinc/13/57/46/613135746.db2.gz AYOWOPSPZMBERU-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC000978235356 613308652 /nfs/dbraw/zinc/30/86/52/613308652.db2.gz VAYXGFFTKROCHD-LVQVYYBASA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960175164 613316630 /nfs/dbraw/zinc/31/66/30/613316630.db2.gz MSFWFFNEZIISTH-BARDWOONSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CCNC(=O)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891783839 613323219 /nfs/dbraw/zinc/32/32/19/613323219.db2.gz NOCDMYQDPSNVQE-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCNC(=O)C1CC[NH+](CCc2cncn2C)CC1 ZINC000878017750 613323273 /nfs/dbraw/zinc/32/32/73/613323273.db2.gz DPPGVJBWQRKGTR-UHFFFAOYSA-N 2 0 274.368 0.424 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863665 613324545 /nfs/dbraw/zinc/32/45/45/613324545.db2.gz BHDRRFLCUVNKDU-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970712389 613348901 /nfs/dbraw/zinc/34/89/01/613348901.db2.gz NVRSWODYUGOOPJ-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000900936708 613363805 /nfs/dbraw/zinc/36/38/05/613363805.db2.gz PEIUOOKIUYMFKJ-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908208880 613365518 /nfs/dbraw/zinc/36/55/18/613365518.db2.gz VXACXSDDGZZCAT-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854331169 613365987 /nfs/dbraw/zinc/36/59/87/613365987.db2.gz QDXHOEYRPURPEW-HNNXBMFYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928085263 613366782 /nfs/dbraw/zinc/36/67/82/613366782.db2.gz HGFJOSDIQMREAC-CHWSQXEVSA-N 2 0 283.441 0.800 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000876542165 613387445 /nfs/dbraw/zinc/38/74/45/613387445.db2.gz QYOZYIPOZRAKMJ-GFCCVEGCSA-N 2 0 289.807 0.813 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000876779781 613387899 /nfs/dbraw/zinc/38/78/99/613387899.db2.gz MZNPKDOAWUBGOP-GFCCVEGCSA-N 2 0 288.823 0.210 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000876871170 613388517 /nfs/dbraw/zinc/38/85/17/613388517.db2.gz URAWQHVYBZKRIY-ZJUUUORDSA-N 2 0 259.781 0.961 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000876744069 613390063 /nfs/dbraw/zinc/39/00/63/613390063.db2.gz MYXCVKFZHNJHDH-WOPDTQHZSA-N 2 0 287.791 0.436 20 30 CCEDRP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982150873 613542366 /nfs/dbraw/zinc/54/23/66/613542366.db2.gz YXLRLIJVMCADCP-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP CC(=NNC1=[NH+]CCN1)c1ccc(OCC[NH+](C)C)cc1 ZINC000841660301 613653920 /nfs/dbraw/zinc/65/39/20/613653920.db2.gz WVRHMTBSNDHCPX-UHFFFAOYSA-N 2 0 289.383 0.900 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857102950 613675240 /nfs/dbraw/zinc/67/52/40/613675240.db2.gz VWZVGKLYSQKMFS-NSHDSACASA-N 2 0 254.378 0.673 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000848982513 613844713 /nfs/dbraw/zinc/84/47/13/613844713.db2.gz SIBGLHIZWHFYGD-GFCCVEGCSA-N 2 0 254.378 0.643 20 30 CCEDRP C=CCOCCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925705340 613880313 /nfs/dbraw/zinc/88/03/13/613880313.db2.gz ALIQJPJHEDQYOA-KPWCQOOUSA-N 2 0 254.374 0.921 20 30 CCEDRP CCNC(NCCCC[N@@H+]1CCC[C@@H]1CO)=[NH+]CC ZINC000849214507 614420853 /nfs/dbraw/zinc/42/08/53/614420853.db2.gz IKXYPGKGNGVAHX-CYBMUJFWSA-N 2 0 270.421 0.798 20 30 CCEDRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484497 614906626 /nfs/dbraw/zinc/90/66/26/614906626.db2.gz JQRAMWRCXDNDMZ-STQMWFEESA-N 2 0 266.389 0.726 20 30 CCEDRP CC[C@@H](C)[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864847 615454455 /nfs/dbraw/zinc/45/44/55/615454455.db2.gz JTSMLSUKHPIGGZ-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP CC[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+](CC)CC ZINC000844195188 615609123 /nfs/dbraw/zinc/60/91/23/615609123.db2.gz RPXGRQBAOYPSBX-SDDRHHMPSA-N 2 0 252.362 0.335 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884310000 615927052 /nfs/dbraw/zinc/92/70/52/615927052.db2.gz LZGOJMYZXRLPOY-IQXANGCESA-N 2 0 290.411 0.678 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCC#N)C[C@H]1C[NH+](C)C ZINC000875481222 615929050 /nfs/dbraw/zinc/92/90/50/615929050.db2.gz HTORXOIOPTVSKF-ZIAGYGMSSA-N 2 0 295.431 0.671 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026046125 625325490 /nfs/dbraw/zinc/32/54/90/625325490.db2.gz VYSUIYYJMKBJNI-BTFPBAQTSA-N 2 0 277.412 0.807 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001026283288 625387739 /nfs/dbraw/zinc/38/77/39/625387739.db2.gz FXDLFDDMEFADKJ-CWRNSKLLSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001026592906 625477383 /nfs/dbraw/zinc/47/73/83/625477383.db2.gz STXOZUCINPZXNR-NFOMZHRRSA-N 2 0 277.412 0.978 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCOC1 ZINC000245926877 622956208 /nfs/dbraw/zinc/95/62/08/622956208.db2.gz WWJRYXQKGBVNTI-OLZOCXBDSA-N 2 0 268.405 0.802 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023272805 622974296 /nfs/dbraw/zinc/97/42/96/622974296.db2.gz DUGNVTUCIBCVRE-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703660 623107365 /nfs/dbraw/zinc/10/73/65/623107365.db2.gz PQXHHCMFESDRGN-CQSZACIVSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001021088734 624657069 /nfs/dbraw/zinc/65/70/69/624657069.db2.gz YGECCJVWRIKOIN-YXSUXZIUSA-N 2 0 263.385 0.729 20 30 CCEDRP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261974409 624947089 /nfs/dbraw/zinc/94/70/89/624947089.db2.gz NJHNBIBYCYRBPV-TZMCWYRMSA-N 3 0 295.475 0.974 20 30 CCEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027806325 630934742 /nfs/dbraw/zinc/93/47/42/630934742.db2.gz GGCRBFKMWAGCRJ-KBPBESRZSA-N 2 0 281.400 0.474 20 30 CCEDRP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261660086 631420779 /nfs/dbraw/zinc/42/07/79/631420779.db2.gz ARGQMHYLZHELKO-TZMCWYRMSA-N 2 0 294.443 0.939 20 30 CCEDRP C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)[C@H]1CC[NH2+]C1 ZINC000925893060 631438461 /nfs/dbraw/zinc/43/84/61/631438461.db2.gz KBVUPAUBSMXSOD-YPMHNXCESA-N 2 0 259.357 0.953 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261719352 631546157 /nfs/dbraw/zinc/54/61/57/631546157.db2.gz WMEQDWQKFAQQQC-STQMWFEESA-N 2 0 268.405 0.482 20 30 CCEDRP C[NH+]=C(NCCn1cncn1)NC1CC[NH+](C(C)C)CC1 ZINC000261784898 631604096 /nfs/dbraw/zinc/60/40/96/631604096.db2.gz HRNBMVXDKPVEHT-UHFFFAOYSA-N 2 0 293.419 0.316 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCF)[C@H]2C)CC1 ZINC000987567341 632881699 /nfs/dbraw/zinc/88/16/99/632881699.db2.gz FDPIWVAPHQEPRH-UKRRQHHQSA-N 2 0 295.402 0.880 20 30 CCEDRP CC#CC[N@@H+]1CCCN(C(=O)Cc2cncn2C)CC1 ZINC000989486749 633316791 /nfs/dbraw/zinc/31/67/91/633316791.db2.gz UILPTIHRIHLDPG-UHFFFAOYSA-N 2 0 274.368 0.520 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681642 633344698 /nfs/dbraw/zinc/34/46/98/633344698.db2.gz FIBBCCLMTWRBBY-STQMWFEESA-N 2 0 261.369 0.294 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCF)C[C@H]2C)CC1 ZINC000989829683 633358754 /nfs/dbraw/zinc/35/87/54/633358754.db2.gz UXLQHKKQKXVMCR-HIFRSBDPSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992903821 637633163 /nfs/dbraw/zinc/63/31/63/637633163.db2.gz DECMQPGGCNAWPN-HRCADAONSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995897430 638803701 /nfs/dbraw/zinc/80/37/01/638803701.db2.gz RALYTGBWYMHOCY-CYBMUJFWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981195 638806400 /nfs/dbraw/zinc/80/64/00/638806400.db2.gz NHERHBAHPHBPBF-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516912 638821410 /nfs/dbraw/zinc/82/14/10/638821410.db2.gz CIYCSKMLBOBEAY-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559777 638822561 /nfs/dbraw/zinc/82/25/61/638822561.db2.gz FCSDZVSFUMUCMH-HNNXBMFYSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997190597 638858539 /nfs/dbraw/zinc/85/85/39/638858539.db2.gz BBEZYWUIFUHYBO-UHFFFAOYSA-N 2 0 263.385 0.849 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014472095 650455120 /nfs/dbraw/zinc/45/51/20/650455120.db2.gz ONHUCHPECXFCNI-CYBMUJFWSA-N 2 0 291.399 0.435 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999404302 638980696 /nfs/dbraw/zinc/98/06/96/638980696.db2.gz VHGDTWWHEIEQLT-UHFFFAOYSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016252100 650705950 /nfs/dbraw/zinc/70/59/50/650705950.db2.gz YWKKDZGYLDGMSD-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016534492 650742094 /nfs/dbraw/zinc/74/20/94/650742094.db2.gz AYNXXKOLDVNNMU-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000834484101 642574403 /nfs/dbraw/zinc/57/44/03/642574403.db2.gz DTKRKBVFKWOXCQ-AGIUHOORSA-N 2 0 258.325 0.304 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000834505111 642591215 /nfs/dbraw/zinc/59/12/15/642591215.db2.gz IFLCGDPNUSLONF-BNOWGMLFSA-N 2 0 270.336 0.101 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000834505113 642592539 /nfs/dbraw/zinc/59/25/39/642592539.db2.gz IFLCGDPNUSLONF-MRVWCRGKSA-N 2 0 270.336 0.101 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000841849814 642843550 /nfs/dbraw/zinc/84/35/50/642843550.db2.gz LRORCPAKEBAGFR-VXGBXAGGSA-N 2 0 264.373 0.513 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000841849813 642843667 /nfs/dbraw/zinc/84/36/67/642843667.db2.gz LRORCPAKEBAGFR-RYUDHWBXSA-N 2 0 264.373 0.513 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852874568 644036176 /nfs/dbraw/zinc/03/61/76/644036176.db2.gz RJUNZRKPFMFUDA-HOTGVXAUSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852882445 644041466 /nfs/dbraw/zinc/04/14/66/644041466.db2.gz HHTBTJGNICANAV-CVEARBPZSA-N 2 0 289.423 0.838 20 30 CCEDRP C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852889061 644043877 /nfs/dbraw/zinc/04/38/77/644043877.db2.gz BABJXVNBJWQMPI-GXTWGEPZSA-N 2 0 263.385 0.433 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000852893511 644046746 /nfs/dbraw/zinc/04/67/46/644046746.db2.gz HTWIJQXIFWNHCN-CQSZACIVSA-N 2 0 275.396 0.780 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001019779188 651004143 /nfs/dbraw/zinc/00/41/43/651004143.db2.gz POPVCIATXJFHLY-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[NH2+]C1CC1 ZINC000867962914 645689540 /nfs/dbraw/zinc/68/95/40/645689540.db2.gz IZOUGWDWYKZOAD-HNNXBMFYSA-N 2 0 284.363 0.613 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC000868013876 645705170 /nfs/dbraw/zinc/70/51/70/645705170.db2.gz RVPIFMCUXZWEFY-AAEUAGOBSA-N 2 0 266.389 0.902 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020149843 651044756 /nfs/dbraw/zinc/04/47/56/651044756.db2.gz FDTBHMGSMHAJCE-KBUPBQIOSA-N 2 0 275.396 0.731 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC000876508616 646615304 /nfs/dbraw/zinc/61/53/04/646615304.db2.gz SBXNUEAMOIFMOW-INIZCTEOSA-N 2 0 298.390 0.942 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877186233 646751868 /nfs/dbraw/zinc/75/18/68/646751868.db2.gz NCWCSFHQIFDYNE-QWKFWESOSA-N 2 0 250.346 0.490 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877340709 646799530 /nfs/dbraw/zinc/79/95/30/646799530.db2.gz MJVHTJYXDVBYLY-GJZGRUSLSA-N 2 0 286.379 0.838 20 30 CCEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+](C)C ZINC000884199428 647665326 /nfs/dbraw/zinc/66/53/26/647665326.db2.gz YOLKJXIAVMJAQN-ATWGWHJKSA-N 2 0 264.373 0.192 20 30 CCEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+](C)C ZINC000884199431 647665433 /nfs/dbraw/zinc/66/54/33/647665433.db2.gz YOLKJXIAVMJAQN-WDBLDGLGSA-N 2 0 264.373 0.192 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](C[NH3+])C1CCCC1)C2 ZINC000884336571 647710980 /nfs/dbraw/zinc/71/09/80/647710980.db2.gz SGKFRGMAIMUXBJ-IQXANGCESA-N 2 0 290.411 0.759 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160779 648203921 /nfs/dbraw/zinc/20/39/21/648203921.db2.gz CSSAKIFFTPGITM-ZIAGYGMSSA-N 2 0 299.463 0.198 20 30 CCEDRP CC(C)[C@H](CNC(=[NH2+])NCC1CCC1)N1CC[NH+](C)CC1 ZINC000303782833 649825127 /nfs/dbraw/zinc/82/51/27/649825127.db2.gz NQZHMQZBTAJIME-HNNXBMFYSA-N 2 0 295.475 0.963 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303784716 649825152 /nfs/dbraw/zinc/82/51/52/649825152.db2.gz PQPJUBCDILBYFB-AWEZNQCLSA-N 2 0 283.464 0.915 20 30 CCEDRP C[C@@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCN(C)CC1 ZINC000303869776 649826014 /nfs/dbraw/zinc/82/60/14/649826014.db2.gz FCRPOURHCBLYCH-ZDUSSCGKSA-N 2 0 281.448 0.574 20 30 CCEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)N1CCCCC1 ZINC000303876295 649826035 /nfs/dbraw/zinc/82/60/35/649826035.db2.gz DUSPPPSSZMPSCB-UHFFFAOYSA-N 2 0 268.405 0.899 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000303897848 649826653 /nfs/dbraw/zinc/82/66/53/649826653.db2.gz VEYPPLIPBWNJOE-CQSZACIVSA-N 2 0 281.448 0.740 20 30 CCEDRP CCCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303975979 649827400 /nfs/dbraw/zinc/82/74/00/649827400.db2.gz JMRHHDZMYQQAJK-UHFFFAOYSA-N 2 0 255.410 0.328 20 30 CCEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000304759679 649838153 /nfs/dbraw/zinc/83/81/53/649838153.db2.gz RLSOTTUIWQQCKO-LLVKDONJSA-N 2 0 256.419 0.692 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N(CC)CC ZINC000304835472 649839390 /nfs/dbraw/zinc/83/93/90/649839390.db2.gz NCNJSKSMPYAYCQ-LBPRGKRZSA-N 2 0 258.410 1.000 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001266716715 791175599 /nfs/dbraw/zinc/17/55/99/791175599.db2.gz NWFOHEBAJFWHOK-SDDRHHMPSA-N 2 0 260.341 0.458 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266876936 791317274 /nfs/dbraw/zinc/31/72/74/791317274.db2.gz PZYQYGLOISMOEP-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266948625 791383749 /nfs/dbraw/zinc/38/37/49/791383749.db2.gz PQYJYIJWRXMSCY-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038141416 791702820 /nfs/dbraw/zinc/70/28/20/791702820.db2.gz KZNRQNVWLTYIHW-CHWSQXEVSA-N 2 0 267.373 0.084 20 30 CCEDRP C=CCN1CC[C@]2(CCCN(C[C@@H](C)[NH3+])C2)C1=O ZINC001235495000 806434588 /nfs/dbraw/zinc/43/45/88/806434588.db2.gz VCWNYFZGZOWDSU-OCCSQVGLSA-N 2 0 251.374 0.834 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001121922570 799094522 /nfs/dbraw/zinc/09/45/22/799094522.db2.gz MASDITGFBGKRPH-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001121939192 799102026 /nfs/dbraw/zinc/10/20/26/799102026.db2.gz FZDOLEGTTDEHBH-RYUDHWBXSA-N 2 0 251.374 0.928 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480287 800338739 /nfs/dbraw/zinc/33/87/39/800338739.db2.gz JZPNWTBDBFWETF-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230840 800503784 /nfs/dbraw/zinc/50/37/84/800503784.db2.gz NIAAESAUYKDHOZ-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC2CC2)CC1 ZINC001152324456 800509241 /nfs/dbraw/zinc/50/92/41/800509241.db2.gz VZKDXXJHDCQXJQ-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CC2)CC1 ZINC001152334894 800511022 /nfs/dbraw/zinc/51/10/22/800511022.db2.gz USIMAQGIXOBZBR-UHFFFAOYSA-N 2 0 263.385 0.447 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392009 800517133 /nfs/dbraw/zinc/51/71/33/800517133.db2.gz IGLNLTASLRUZOX-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152427273 800521088 /nfs/dbraw/zinc/52/10/88/800521088.db2.gz VQVMHCYOIKDUCX-UHFFFAOYSA-N 2 0 257.378 0.235 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153823949 800673162 /nfs/dbraw/zinc/67/31/62/800673162.db2.gz FQWCAAOYGRCNRK-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113821 801305293 /nfs/dbraw/zinc/30/52/93/801305293.db2.gz PFMCKYUBNZCCEF-OAHLLOKOSA-N 2 0 297.443 0.803 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001158556277 801665909 /nfs/dbraw/zinc/66/59/09/801665909.db2.gz ZBYQTGGAXAIPDC-NJAFHUGGSA-N 2 0 297.402 0.943 20 30 CCEDRP C[NH+]1CC2(CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C2)C1 ZINC001158860146 801715788 /nfs/dbraw/zinc/71/57/88/801715788.db2.gz WVYUGMSPJPQAJN-UHFFFAOYSA-N 2 0 283.379 0.741 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161419983 802153220 /nfs/dbraw/zinc/15/32/20/802153220.db2.gz BIOKUCKQIOZREF-CABCVRRESA-N 2 0 284.363 0.345 20 30 CCEDRP N#CCc1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc[nH+]1 ZINC001163176199 802502054 /nfs/dbraw/zinc/50/20/54/802502054.db2.gz ODAYTMCGLLEKRI-DFBGVHRSSA-N 2 0 272.352 0.606 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001280488285 810026274 /nfs/dbraw/zinc/02/62/74/810026274.db2.gz QMNVLSQWEQKMHB-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP N#Cc1c2c(cnc1N1CCOCC13C[NH2+]C3)C[NH2+]CCC2 ZINC001165287988 802815128 /nfs/dbraw/zinc/81/51/28/802815128.db2.gz XCKFPJNHNIRLIJ-UHFFFAOYSA-N 2 0 299.378 0.168 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485447 802847004 /nfs/dbraw/zinc/84/70/04/802847004.db2.gz WSKCLNPQMJKPCZ-AWEZNQCLSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627150 802926348 /nfs/dbraw/zinc/92/63/48/802926348.db2.gz RBBCDKHBPNSNJT-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166930662 802981929 /nfs/dbraw/zinc/98/19/29/802981929.db2.gz LJJYHRRWENRUMK-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP N#Cc1cccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)n1 ZINC001205242545 803130269 /nfs/dbraw/zinc/13/02/69/803130269.db2.gz YAHZPYQNSVWOGH-CQSZACIVSA-N 2 0 260.341 0.629 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281152 803223210 /nfs/dbraw/zinc/22/32/10/803223210.db2.gz CXKHHAOLCMYJSE-DZGCQCFKSA-N 2 0 277.412 0.646 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001270784545 813927495 /nfs/dbraw/zinc/92/74/95/813927495.db2.gz CGRPHYIXPSSMOU-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207703055 803440017 /nfs/dbraw/zinc/44/00/17/803440017.db2.gz IUOJMYNNVRJXCF-JHJVBQTASA-N 2 0 253.390 0.949 20 30 CCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208491886 803517616 /nfs/dbraw/zinc/51/76/16/803517616.db2.gz AIHNVBSFYQKWLX-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453775 803605182 /nfs/dbraw/zinc/60/51/82/803605182.db2.gz CVZKEQPCNLALML-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001209643715 803620184 /nfs/dbraw/zinc/62/01/84/803620184.db2.gz VUILSQIYDNVWST-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001209668878 803621956 /nfs/dbraw/zinc/62/19/56/803621956.db2.gz JHADYWSRPSMBDE-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211371574 803679283 /nfs/dbraw/zinc/67/92/83/803679283.db2.gz SPSQGUMMIZOCFQ-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883315 803759518 /nfs/dbraw/zinc/75/95/18/803759518.db2.gz MBEUGKQRECDHDI-RYUDHWBXSA-N 2 0 256.394 0.658 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855879 803760624 /nfs/dbraw/zinc/76/06/24/803760624.db2.gz QCFVKGAKOVTJJB-YUELXQCFSA-N 2 0 277.412 0.786 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421944 803808777 /nfs/dbraw/zinc/80/87/77/803808777.db2.gz RQDISWJGRYGGPF-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001276725803 803822073 /nfs/dbraw/zinc/82/20/73/803822073.db2.gz JJVXAGAJOAWVEC-FPCVCCKLSA-N 2 0 289.423 0.646 20 30 CCEDRP C=C1CC[NH2+]C[C@@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833430 803916871 /nfs/dbraw/zinc/91/68/71/803916871.db2.gz WFWKPLHOHQTMDZ-MQYQWHSLSA-N 2 0 252.358 0.688 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816009 804427320 /nfs/dbraw/zinc/42/73/20/804427320.db2.gz UUVIYTVLUYREFY-CABCVRRESA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219868849 804435644 /nfs/dbraw/zinc/43/56/44/804435644.db2.gz BNBXRCJOLRSBSS-MCIONIFRSA-N 2 0 283.416 0.454 20 30 CCEDRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cccc(C#N)c1 ZINC001220046903 804484353 /nfs/dbraw/zinc/48/43/53/804484353.db2.gz IZOJGMRVNJDELJ-XGWLTEMNSA-N 2 0 298.390 0.935 20 30 CCEDRP N#CCCCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220191242 804532781 /nfs/dbraw/zinc/53/27/81/804532781.db2.gz BQAZTNUCFYSEIJ-GFCCVEGCSA-N 2 0 264.373 0.671 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001220413676 804598186 /nfs/dbraw/zinc/59/81/86/804598186.db2.gz NIXWFWPYQWNXOP-GFCCVEGCSA-N 2 0 277.368 0.185 20 30 CCEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220499443 804617044 /nfs/dbraw/zinc/61/70/44/804617044.db2.gz YZORGDCTTCFZCB-NWDGAFQWSA-N 2 0 298.387 0.053 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790837 804667178 /nfs/dbraw/zinc/66/71/78/804667178.db2.gz VDBUTQDIBOKVIH-IPYPFGDCSA-N 2 0 272.352 0.199 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001272152165 815031276 /nfs/dbraw/zinc/03/12/76/815031276.db2.gz QHUQBCIECRGAFC-CYBMUJFWSA-N 2 0 251.374 0.352 20 30 CCEDRP N#Cc1cnc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001220872101 804686072 /nfs/dbraw/zinc/68/60/72/804686072.db2.gz KGPYTCCKWXYRDN-VIFPVBQESA-N 2 0 281.385 0.477 20 30 CCEDRP N#CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCOCC1 ZINC001220966955 804710241 /nfs/dbraw/zinc/71/02/41/804710241.db2.gz MGVMLQRLEIWNIE-GFCCVEGCSA-N 2 0 292.383 0.050 20 30 CCEDRP C#CC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCCCC1 ZINC001221276183 804762506 /nfs/dbraw/zinc/76/25/06/804762506.db2.gz SJFCGQMQJOMOEG-CZUORRHYSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001276821945 804797630 /nfs/dbraw/zinc/79/76/30/804797630.db2.gz VSMFNDPTMAMDEX-KBPBESRZSA-N 2 0 283.416 0.718 20 30 CCEDRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437542 804817212 /nfs/dbraw/zinc/81/72/12/804817212.db2.gz WEVGZYHHGAEYCL-HUUCEWRRSA-N 2 0 294.443 0.971 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC001229663323 805547580 /nfs/dbraw/zinc/54/75/80/805547580.db2.gz AXRHRRGCMSTGJT-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278415867 807097448 /nfs/dbraw/zinc/09/74/48/807097448.db2.gz JVZJETNGGPNMSQ-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H](C)CC[NH2+]C ZINC001246302946 807215644 /nfs/dbraw/zinc/21/56/44/807215644.db2.gz FYJBENZCTVTOIY-STQMWFEESA-N 2 0 271.405 0.801 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246310031 807218522 /nfs/dbraw/zinc/21/85/22/807218522.db2.gz YCYCSBGJZQOKIF-KGLIPLIRSA-N 2 0 283.416 0.945 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](CCC)C[C@@H]2C1 ZINC001251857536 807722939 /nfs/dbraw/zinc/72/29/39/807722939.db2.gz FFMMGMFRCPZHQW-RBSFLKMASA-N 2 0 266.385 0.271 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001251855056 807723334 /nfs/dbraw/zinc/72/33/34/807723334.db2.gz RAZDCBDGCOVFIX-OAHLLOKOSA-N 2 0 280.412 0.805 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001278689451 807991500 /nfs/dbraw/zinc/99/15/00/807991500.db2.gz BJRSQEWICOYGAH-ZDUSSCGKSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083506122 815178535 /nfs/dbraw/zinc/17/85/35/815178535.db2.gz QOMDYVMMNIYPHQ-ILXRZTDVSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001278768146 808196095 /nfs/dbraw/zinc/19/60/95/808196095.db2.gz PEUWILXYIQJBTD-OLZOCXBDSA-N 2 0 271.405 0.168 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076107523 815244740 /nfs/dbraw/zinc/24/47/40/815244740.db2.gz ZUWHQCFYWUZFNS-LSDHHAIUSA-N 2 0 286.379 0.829 20 30 CCEDRP C=CC[C@]1(C(=O)NCCC[NH2+]C2CC2)CCC[NH2+]1 ZINC001261644214 809043626 /nfs/dbraw/zinc/04/36/26/809043626.db2.gz TZHJOSWDYSGUMN-CQSZACIVSA-N 2 0 251.374 0.943 20 30 CCEDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001262556936 809341944 /nfs/dbraw/zinc/34/19/44/809341944.db2.gz ICLVTLGDTOXQPR-MRXNPFEDSA-N 2 0 288.395 0.429 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001263300364 809505545 /nfs/dbraw/zinc/50/55/45/809505545.db2.gz MNPXIUBWFOOXAC-IYBDPMFKSA-N 2 0 275.396 0.544 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001263828055 809581024 /nfs/dbraw/zinc/58/10/24/809581024.db2.gz YYAVZCFVEMOVIF-ZNMIVQPWSA-N 2 0 295.427 0.768 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264174028 809636609 /nfs/dbraw/zinc/63/66/09/809636609.db2.gz ORZONGYLVCRGHB-KFWWJZLASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001264538855 809662245 /nfs/dbraw/zinc/66/22/45/809662245.db2.gz NCHSZAUDCQKVTJ-RRFJBIMHSA-N 2 0 293.411 0.024 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001264728147 809671716 /nfs/dbraw/zinc/67/17/16/809671716.db2.gz DOTSXYJGEAMWJO-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265454178 809783225 /nfs/dbraw/zinc/78/32/25/809783225.db2.gz HMTNZLDMAAVBTE-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001265812885 809860421 /nfs/dbraw/zinc/86/04/21/809860421.db2.gz GHFQQKKRTULSJA-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC)C[C@H]32)CC1 ZINC001076605745 815319541 /nfs/dbraw/zinc/31/95/41/815319541.db2.gz QRCJUKHBAZKZIM-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001265870311 809880565 /nfs/dbraw/zinc/88/05/65/809880565.db2.gz NKPYXPHQAZARCG-KBPBESRZSA-N 2 0 295.427 0.461 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265912909 809891541 /nfs/dbraw/zinc/89/15/41/809891541.db2.gz TXKQHNSYNBGWOG-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001265926836 809896123 /nfs/dbraw/zinc/89/61/23/809896123.db2.gz MCXFYUOADJQXMM-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP CC[C@H](C(=O)NCCC[N@H+](C)CC#CCOC)[NH+](C)C ZINC001265953781 809904358 /nfs/dbraw/zinc/90/43/58/809904358.db2.gz FLRLVFWZRYECOQ-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001266182943 809956959 /nfs/dbraw/zinc/95/69/59/809956959.db2.gz SCUXJRZKIOPQME-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)CCc1cncn1C)C1CC1 ZINC001267337345 811174316 /nfs/dbraw/zinc/17/43/16/811174316.db2.gz RDDPVBBRSDUWAO-UHFFFAOYSA-N 2 0 288.395 0.957 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267558601 811442930 /nfs/dbraw/zinc/44/29/30/811442930.db2.gz CMVRZJJEODCIAY-GOEBONIOSA-N 2 0 289.423 0.790 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267997971 811933340 /nfs/dbraw/zinc/93/33/40/811933340.db2.gz HYCIGJMABMCBRT-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268054921 812145886 /nfs/dbraw/zinc/14/58/86/812145886.db2.gz MUXUCCJGIRTWBG-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083602510 815530456 /nfs/dbraw/zinc/53/04/56/815530456.db2.gz ZEMJRIJDMYYMQJ-KGLIPLIRSA-N 2 0 293.411 0.352 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC)CC1 ZINC001268427692 812561923 /nfs/dbraw/zinc/56/19/23/812561923.db2.gz ZGJMRAMUOPHPLO-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028551333 812831018 /nfs/dbraw/zinc/83/10/18/812831018.db2.gz MMYGSPYGSLYOTF-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268674536 812995740 /nfs/dbraw/zinc/99/57/40/812995740.db2.gz UFCIIZHJGYEOIV-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001268756374 813069624 /nfs/dbraw/zinc/06/96/24/813069624.db2.gz JMYXHZNNHYXIFX-KBPBESRZSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001268958555 813158985 /nfs/dbraw/zinc/15/89/85/813158985.db2.gz LYSJWDQNEJHLDE-OKILXGFUSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001269176296 813250474 /nfs/dbraw/zinc/25/04/74/813250474.db2.gz XBXUUUWCRJYHGS-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269193883 813256108 /nfs/dbraw/zinc/25/61/08/813256108.db2.gz VHDOCFAIKQZTCX-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001269268543 813299304 /nfs/dbraw/zinc/29/93/04/813299304.db2.gz NCTRBBMMCCZSAZ-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001269540867 813408988 /nfs/dbraw/zinc/40/89/88/813408988.db2.gz PKSDDIQDWXBUPB-BETUJISGSA-N 2 0 263.385 0.731 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270304092 813715970 /nfs/dbraw/zinc/71/59/70/813715970.db2.gz OBGYASRBQAFKCG-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028997762 813739447 /nfs/dbraw/zinc/73/94/47/813739447.db2.gz ZKPBEGVABNRVCG-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001271459953 814454486 /nfs/dbraw/zinc/45/44/86/814454486.db2.gz XKBPWIMICWJXPU-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983340 816203845 /nfs/dbraw/zinc/20/38/45/816203845.db2.gz RRHAQCPPIWZCLQ-OLZOCXBDSA-N 2 0 263.385 0.847 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272323187 816312534 /nfs/dbraw/zinc/31/25/34/816312534.db2.gz NXZHVJPZNNSURU-HUUCEWRRSA-N 2 0 289.423 0.980 20 30 CCEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001046217790 816443685 /nfs/dbraw/zinc/44/36/85/816443685.db2.gz HVINSESKPDMZNH-HIFRSBDPSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675346 817237290 /nfs/dbraw/zinc/23/72/90/817237290.db2.gz DSHBXLDSGIKQSL-AWEZNQCLSA-N 2 0 263.385 0.562 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089868513 817573909 /nfs/dbraw/zinc/57/39/09/817573909.db2.gz CTDRAHGIVTXEHG-XZDPQHSOSA-N 2 0 298.390 0.754 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052252452 818176983 /nfs/dbraw/zinc/17/69/83/818176983.db2.gz UDIHRCDYVXRHDU-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031273 818489408 /nfs/dbraw/zinc/48/94/08/818489408.db2.gz TZYKYFXBSCJBCQ-INIZCTEOSA-N 2 0 275.396 0.686 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033596285 818844003 /nfs/dbraw/zinc/84/40/03/818844003.db2.gz XMKBILYYWFPAOM-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660517 818881091 /nfs/dbraw/zinc/88/10/91/818881091.db2.gz HXDFBENPZRDQIX-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033660593 818882477 /nfs/dbraw/zinc/88/24/77/818882477.db2.gz IVHARCJWWDSDTA-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831715 818962013 /nfs/dbraw/zinc/96/20/13/818962013.db2.gz XJLHPEJLWKDIOQ-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034040931 819042432 /nfs/dbraw/zinc/04/24/32/819042432.db2.gz ZVXZBOFZRXJNKI-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035782811 819623932 /nfs/dbraw/zinc/62/39/32/819623932.db2.gz RUSBYZSQQJZBTB-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035794213 819626076 /nfs/dbraw/zinc/62/60/76/819626076.db2.gz ANCCXZIBWMYFNM-LSDHHAIUSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC001273201820 820577190 /nfs/dbraw/zinc/57/71/90/820577190.db2.gz PDDLBBPHSIHZHY-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001080997413 820669075 /nfs/dbraw/zinc/66/90/75/820669075.db2.gz CCPACBBTNKMRCB-GDBMZVCRSA-N 2 0 287.407 0.401 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001082595251 821005540 /nfs/dbraw/zinc/00/55/40/821005540.db2.gz CTRFBNBJEWQYJO-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355056 821277558 /nfs/dbraw/zinc/27/75/58/821277558.db2.gz CPGKUTIEABYTRL-KLHDSHLOSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831352 821405182 /nfs/dbraw/zinc/40/51/82/821405182.db2.gz IKMHRKXDLMICNN-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001085332641 821663297 /nfs/dbraw/zinc/66/32/97/821663297.db2.gz HCYWULMJVAIOFE-RRFJBIMHSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972647 822046128 /nfs/dbraw/zinc/04/61/28/822046128.db2.gz FIIBEEPHHWQWMK-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129326771 822127614 /nfs/dbraw/zinc/12/76/14/822127614.db2.gz CRJVZTRDELYEDE-OAHLLOKOSA-N 2 0 295.427 0.320 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082688 822253593 /nfs/dbraw/zinc/25/35/93/822253593.db2.gz GYSGSTJMCOKPMQ-CABCVRRESA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183582370 844045878 /nfs/dbraw/zinc/04/58/78/844045878.db2.gz WNEMGOBFCKNCRY-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP N#Cc1c2c(cnc1-n1ccnc1CC[NH3+])C[NH2+]CCC2 ZINC001156477702 836530703 /nfs/dbraw/zinc/53/07/03/836530703.db2.gz GWZLIOKTXLGETA-UHFFFAOYSA-N 2 0 282.351 0.676 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109978941 836751183 /nfs/dbraw/zinc/75/11/83/836751183.db2.gz MLMVWLCDVWNGJI-ILXRZTDVSA-N 2 0 293.411 0.309 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133294410 838591377 /nfs/dbraw/zinc/59/13/77/838591377.db2.gz HUZYLPAXSOHHQM-UHFFFAOYSA-N 2 0 273.380 0.696 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896091 838769561 /nfs/dbraw/zinc/76/95/61/838769561.db2.gz CCWVWYRSVLFOAX-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608116 839025467 /nfs/dbraw/zinc/02/54/67/839025467.db2.gz QXIPEZNFXGRITM-OLZOCXBDSA-N 2 0 265.401 0.977 20 30 CCEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135743155 839386821 /nfs/dbraw/zinc/38/68/21/839386821.db2.gz GBCQTCLUNCOZDS-CABCVRRESA-N 2 0 297.443 0.851 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938508 839473696 /nfs/dbraw/zinc/47/36/96/839473696.db2.gz KMQFUBUXVQPUPK-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958821 839484842 /nfs/dbraw/zinc/48/48/42/839484842.db2.gz FVXOURJIYWRQNX-UHFFFAOYSA-N 2 0 269.389 0.379 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001091201262 840130847 /nfs/dbraw/zinc/13/08/47/840130847.db2.gz JICKKQWVTRCXKD-NRXISQOPSA-N 2 0 293.411 0.213 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530709 840252754 /nfs/dbraw/zinc/25/27/54/840252754.db2.gz FRROHXVRRSUWOF-FMKPAKJESA-N 2 0 275.396 0.494 20 30 CCEDRP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CCC1(C)C ZINC000712622885 841101637 /nfs/dbraw/zinc/10/16/37/841101637.db2.gz QVSQSGSJEPCBAK-GFCCVEGCSA-N 2 0 266.389 0.950 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579378 841737545 /nfs/dbraw/zinc/73/75/45/841737545.db2.gz VUFPJGITUZIARS-UHFFFAOYSA-N 2 0 283.416 0.464 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045189 842736080 /nfs/dbraw/zinc/73/60/80/842736080.db2.gz GBWVJSPVDWKLCW-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179860963 843075437 /nfs/dbraw/zinc/07/54/37/843075437.db2.gz DYJBVMVAJNQLTO-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCSCC(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001180562339 843209525 /nfs/dbraw/zinc/20/95/25/843209525.db2.gz QZPORTYIKHCOGF-UHFFFAOYSA-N 2 0 272.418 0.969 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151048424 843546307 /nfs/dbraw/zinc/54/63/07/843546307.db2.gz BAFLHQUVMXSPDR-JTQLQIEISA-N 2 0 290.205 0.553 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182624132 843868071 /nfs/dbraw/zinc/86/80/71/843868071.db2.gz ZOYFQKNRMCOKHU-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182973951 843952261 /nfs/dbraw/zinc/95/22/61/843952261.db2.gz VJGIQJCKWADLEB-CHWSQXEVSA-N 2 0 269.364 0.490 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187135160 844657699 /nfs/dbraw/zinc/65/76/99/844657699.db2.gz GBVAURBXEKLTRV-CYBMUJFWSA-N 2 0 286.379 0.975 20 30 CCEDRP C#CCCC[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273541510 844731397 /nfs/dbraw/zinc/73/13/97/844731397.db2.gz CQLJJJCQBDQUIC-MRXNPFEDSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956382 845004678 /nfs/dbraw/zinc/00/46/78/845004678.db2.gz HLZDYOYJBYKBKR-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985948 845014147 /nfs/dbraw/zinc/01/41/47/845014147.db2.gz YCADTCJIXLKIMV-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237711 845372382 /nfs/dbraw/zinc/37/23/82/845372382.db2.gz DTSDYFRXTTVCOW-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948910 845932437 /nfs/dbraw/zinc/93/24/37/845932437.db2.gz XQGNKHOFMCCORY-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462801 846081890 /nfs/dbraw/zinc/08/18/90/846081890.db2.gz PZSCIZWQALCBHL-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273709954 846656222 /nfs/dbraw/zinc/65/62/22/846656222.db2.gz DFMAFNYORTWCEW-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196131966 846689198 /nfs/dbraw/zinc/68/91/98/846689198.db2.gz REWKTVQXLUNMFU-RBSFLKMASA-N 2 0 295.427 0.291 20 30 CCEDRP C[NH+]1CCN(c2cc(-n3cnc(C#N)c3N)cc[nH+]2)CC1 ZINC001201653514 847803263 /nfs/dbraw/zinc/80/32/63/847803263.db2.gz CDYOQXFFZWGCQO-UHFFFAOYSA-N 2 0 283.339 0.473 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201688978 847808094 /nfs/dbraw/zinc/80/80/94/847808094.db2.gz WUMBCVGSGVOAOI-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201924521 847837413 /nfs/dbraw/zinc/83/74/13/847837413.db2.gz NRSWHVZAJXFUMR-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275468557 848728305 /nfs/dbraw/zinc/72/83/05/848728305.db2.gz DGXCQUJZZDXQMY-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114744044 849383660 /nfs/dbraw/zinc/38/36/60/849383660.db2.gz VQIJMFHEIQVWFU-ITGUQSILSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741867 849383700 /nfs/dbraw/zinc/38/37/00/849383700.db2.gz XJNJPUYQGDYQNI-WDNDVIMCSA-N 2 0 277.412 0.951 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC)C2)CC1 ZINC001046849199 851630412 /nfs/dbraw/zinc/63/04/12/851630412.db2.gz CHRVYHPHYCFIAD-MRXNPFEDSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047528481 851800615 /nfs/dbraw/zinc/80/06/15/851800615.db2.gz RSYFZARQFVIOKB-KKUMJFAQSA-N 2 0 295.427 0.408 20 30 CCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047527283 851802254 /nfs/dbraw/zinc/80/22/54/851802254.db2.gz AVPVHQBAHAWGHD-KKUMJFAQSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901410 852392489 /nfs/dbraw/zinc/39/24/89/852392489.db2.gz PCDCMKQYGIWFSD-HUUCEWRRSA-N 2 0 275.396 0.781 20 30 CCEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753292 853423609 /nfs/dbraw/zinc/42/36/09/853423609.db2.gz HLXBJDKFJNDOCB-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753291 853423791 /nfs/dbraw/zinc/42/37/91/853423791.db2.gz HLXBJDKFJNDOCB-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386715 853744398 /nfs/dbraw/zinc/74/43/98/853744398.db2.gz QZWOMLHBPDJFIL-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072751986 854457545 /nfs/dbraw/zinc/45/75/45/854457545.db2.gz OJYPVGVYVCNNCN-ZIAGYGMSSA-N 2 0 275.396 0.494 20 30 CCEDRP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072851187 854479498 /nfs/dbraw/zinc/47/94/98/854479498.db2.gz NGBBEVJRAWZQGT-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073554563 854592481 /nfs/dbraw/zinc/59/24/81/854592481.db2.gz JAGDVIQIZJHYEX-KBPBESRZSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131555 855103852 /nfs/dbraw/zinc/10/38/52/855103852.db2.gz FIOHQENQKHXTID-CABCVRRESA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001100378359 855156417 /nfs/dbraw/zinc/15/64/17/855156417.db2.gz WSNHIZFLWUWJBB-JXQTWKCFSA-N 2 0 283.391 0.784 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100618637 855198592 /nfs/dbraw/zinc/19/85/92/855198592.db2.gz RCTLZDGPYYCUAO-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683862 855210111 /nfs/dbraw/zinc/21/01/11/855210111.db2.gz VSHNMEVPTNVSEY-BPCQOVAHSA-N 2 0 251.374 0.444 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100771056 855221303 /nfs/dbraw/zinc/22/13/03/855221303.db2.gz WKNKEAIBMXWOPI-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985898 855251892 /nfs/dbraw/zinc/25/18/92/855251892.db2.gz IHBXMTJZRUGDRI-UHFFFAOYSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297978 855659558 /nfs/dbraw/zinc/65/95/58/855659558.db2.gz LEXNPDPQJNCXOF-FOLVSLTJSA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCOCC1 ZINC001119243470 856595930 /nfs/dbraw/zinc/59/59/30/856595930.db2.gz TXGQYSBRSPVOSK-SECBINFHSA-N 2 0 261.753 0.080 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129638 856992266 /nfs/dbraw/zinc/99/22/66/856992266.db2.gz LHYJCHHNMCOLTB-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH+](CC)CCNC(=O)C[N@@H+](C)CCC ZINC001481013479 892058505 /nfs/dbraw/zinc/05/85/05/892058505.db2.gz SWTZBCBQLOSEIW-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481659035 892978065 /nfs/dbraw/zinc/97/80/65/892978065.db2.gz WTWVXUNLZIPYBS-AWEZNQCLSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001482243832 893647930 /nfs/dbraw/zinc/64/79/30/893647930.db2.gz SKZHJNILMSMLAM-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482841009 894645709 /nfs/dbraw/zinc/64/57/09/894645709.db2.gz BLKNDSGFIHXIOU-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001482846551 894648066 /nfs/dbraw/zinc/64/80/66/894648066.db2.gz KXRCUQVZMSWHOB-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001482899169 894672006 /nfs/dbraw/zinc/67/20/06/894672006.db2.gz MEBHHXBIMNVKFL-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC001482963857 894732338 /nfs/dbraw/zinc/73/23/38/894732338.db2.gz RGPAZMHTUKRRSC-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319071 895444109 /nfs/dbraw/zinc/44/41/09/895444109.db2.gz HBUYRRCGRCWOSV-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001483602472 895674502 /nfs/dbraw/zinc/67/45/02/895674502.db2.gz UMEWFZNGBUNLIK-CYBMUJFWSA-N 2 0 263.385 0.753 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001483791611 896053995 /nfs/dbraw/zinc/05/39/95/896053995.db2.gz YVDGESRFSWVTPY-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484385356 896368006 /nfs/dbraw/zinc/36/80/06/896368006.db2.gz YNOJPTQMMMKLKM-KGLIPLIRSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001484495427 896444549 /nfs/dbraw/zinc/44/45/49/896444549.db2.gz MIGQBDNCYTYGBH-HNNXBMFYSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484687028 896542145 /nfs/dbraw/zinc/54/21/45/896542145.db2.gz YZGNAUGELHSLET-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001484955987 896685080 /nfs/dbraw/zinc/68/50/80/896685080.db2.gz UYGJBPBTIKOCPO-AWEZNQCLSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1nccn1C ZINC001485038372 896729355 /nfs/dbraw/zinc/72/93/55/896729355.db2.gz FCILUTDUSGOTSB-AWEZNQCLSA-N 2 0 288.395 0.957 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001486311216 898784261 /nfs/dbraw/zinc/78/42/61/898784261.db2.gz GECMEDGCPFVPDD-KBPBESRZSA-N 2 0 283.416 0.005 20 30 CCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001486483321 898897585 /nfs/dbraw/zinc/89/75/85/898897585.db2.gz HNGDZIVYOCHSKX-UHFFFAOYSA-N 2 0 295.427 0.555 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC001280593218 900972626 /nfs/dbraw/zinc/97/26/26/900972626.db2.gz ABZZJTRITJOSDS-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](C#N)CCC#N ZINC001326600561 901824069 /nfs/dbraw/zinc/82/40/69/901824069.db2.gz XZNBUIBCBSBTJN-ZIAGYGMSSA-N 2 0 263.389 0.655 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001490954358 903266696 /nfs/dbraw/zinc/26/66/96/903266696.db2.gz GLFXIEJAVZUVNL-HDJSIYSDSA-N 2 0 292.383 0.631 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491070704 903332163 /nfs/dbraw/zinc/33/21/63/903332163.db2.gz XMPMOUCZDOPKHD-KFWWJZLASA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001491220701 903453450 /nfs/dbraw/zinc/45/34/50/903453450.db2.gz HNIAXNNDZUCADB-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331330704 903973097 /nfs/dbraw/zinc/97/30/97/903973097.db2.gz PTDQHEKZCPSHPP-VSGBTXLYSA-N 2 0 262.357 0.074 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927677 904606808 /nfs/dbraw/zinc/60/68/08/904606808.db2.gz HALVZVXZUHQQLE-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001283796209 905019689 /nfs/dbraw/zinc/01/96/89/905019689.db2.gz HXLVSLSBTRHLTE-CABCVRRESA-N 2 0 295.427 0.198 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492110375 907705017 /nfs/dbraw/zinc/70/50/17/907705017.db2.gz DVEPCGTUUCCUOO-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001304042942 908137073 /nfs/dbraw/zinc/13/70/73/908137073.db2.gz PGPMZVCKPJSUFD-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001304212954 908157136 /nfs/dbraw/zinc/15/71/36/908157136.db2.gz BNEZZSWLRCONAH-HIFRSBDPSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317536105 908631969 /nfs/dbraw/zinc/63/19/69/908631969.db2.gz VEUJIZRYWJWSGC-ZDUSSCGKSA-N 2 0 251.374 0.706 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001341642183 908639701 /nfs/dbraw/zinc/63/97/01/908639701.db2.gz HPIMGHBXIBWQGG-FRRDWIJNSA-N 2 0 264.373 0.512 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316948047 908843201 /nfs/dbraw/zinc/84/32/01/908843201.db2.gz PKHJFVKIFVGTPX-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317192191 909037040 /nfs/dbraw/zinc/03/70/40/909037040.db2.gz CRILIEUVJKFWMV-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001318338528 909711654 /nfs/dbraw/zinc/71/16/54/909711654.db2.gz VLJBPWIVAVLURW-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318607988 909835328 /nfs/dbraw/zinc/83/53/28/909835328.db2.gz SMXZPXGUKMJWTP-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001320008936 910413430 /nfs/dbraw/zinc/41/34/30/910413430.db2.gz NYTNGOHELHMYJQ-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320640664 910776015 /nfs/dbraw/zinc/77/60/15/910776015.db2.gz SWVOHRBLVSYFRZ-UONOGXRCSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001321308143 911223823 /nfs/dbraw/zinc/22/38/23/911223823.db2.gz SRTCIHMLHKJCPY-PLNGDYQASA-N 2 0 295.427 0.935 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001322183667 911699538 /nfs/dbraw/zinc/69/95/38/911699538.db2.gz UOTAXDIMAFZRAS-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401575826 916341364 /nfs/dbraw/zinc/34/13/64/916341364.db2.gz GJHGMBAHBNFEKB-RYUDHWBXSA-N 2 0 289.807 0.147 20 30 CCEDRP C=CC[C@]1(C(=O)NCc2cc(N)cc[nH+]2)CCC[NH2+]1 ZINC001331004164 917017349 /nfs/dbraw/zinc/01/73/49/917017349.db2.gz QXMMIBFAMBWKEN-CQSZACIVSA-N 2 0 260.341 0.978 20 30 CCEDRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001332156182 917915509 /nfs/dbraw/zinc/91/55/09/917915509.db2.gz IPZXZSUNNGBQJZ-VXGBXAGGSA-N 2 0 252.362 0.466 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332661910 918364005 /nfs/dbraw/zinc/36/40/05/918364005.db2.gz AESVQZXMKMBAQK-LSDHHAIUSA-N 2 0 299.459 0.900 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001332664562 918364372 /nfs/dbraw/zinc/36/43/72/918364372.db2.gz VMOMKFXNZGZLBY-AWEZNQCLSA-N 2 0 295.427 0.103 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001333100674 918652301 /nfs/dbraw/zinc/65/23/01/918652301.db2.gz OTIPYQFBWSIZDN-UHFFFAOYSA-N 2 0 296.459 0.637 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC001335425932 920188927 /nfs/dbraw/zinc/18/89/27/920188927.db2.gz KIDLFKVTIVIGMI-KBPBESRZSA-N 2 0 254.374 0.053 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001336005340 920559457 /nfs/dbraw/zinc/55/94/57/920559457.db2.gz ZIDIJMDXBYCBKN-DGCLKSJQSA-N 2 0 266.389 0.544 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001336800156 921018596 /nfs/dbraw/zinc/01/85/96/921018596.db2.gz PMHBFZNXHXUSAD-DGCLKSJQSA-N 2 0 266.389 0.625 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001341731138 922648090 /nfs/dbraw/zinc/64/80/90/922648090.db2.gz BYKRASHERSKHDP-CHWSQXEVSA-N 2 0 268.405 0.032 20 30 CCEDRP CCO[C@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+](C)C ZINC001341794058 922675112 /nfs/dbraw/zinc/67/51/12/922675112.db2.gz HLSFIGPKGQKVJA-CQSZACIVSA-N 2 0 281.400 0.072 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342189085 922854098 /nfs/dbraw/zinc/85/40/98/922854098.db2.gz QNJJUCBZWPRNFA-WZRBSPASSA-N 2 0 250.346 0.408 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342292354 922899451 /nfs/dbraw/zinc/89/94/51/922899451.db2.gz BEAZNVRRNVTUQS-BZPMIXESSA-N 2 0 264.373 0.798 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC001344462820 923611013 /nfs/dbraw/zinc/61/10/13/923611013.db2.gz VYAAATHKKOAAOS-CQSZACIVSA-N 2 0 251.374 0.433 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCC([NH3+])CC1 ZINC001344708738 923671112 /nfs/dbraw/zinc/67/11/12/923671112.db2.gz QDJYDJHTEMICFL-CYBMUJFWSA-N 2 0 268.405 0.209 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001345781189 923977713 /nfs/dbraw/zinc/97/77/13/923977713.db2.gz PUTGNERMBWFKBB-UONOGXRCSA-N 2 0 294.399 0.188 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001346210581 924111544 /nfs/dbraw/zinc/11/15/44/924111544.db2.gz WBMWNJRNCRXXRZ-SOUVJXGZSA-N 2 0 295.427 0.728 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001346453539 924221040 /nfs/dbraw/zinc/22/10/40/924221040.db2.gz LCNWOBGNDVLKNF-GFCCVEGCSA-N 2 0 266.389 0.320 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC001353614183 925884672 /nfs/dbraw/zinc/88/46/72/925884672.db2.gz XDHFOHDROBOWDA-OLZOCXBDSA-N 2 0 258.325 0.029 20 30 CCEDRP N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600738537 362049693 /nfs/dbraw/zinc/04/96/93/362049693.db2.gz LAFFTXIYEXJESD-CHWSQXEVSA-N 2 0 267.373 0.087 20 30 CCEDRP N#CC1(C[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000600744871 362052432 /nfs/dbraw/zinc/05/24/32/362052432.db2.gz QEGJDJLZIQMRSS-GJZGRUSLSA-N 2 0 295.427 0.868 20 30 CCEDRP N#CCCN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000601332786 362229268 /nfs/dbraw/zinc/22/92/68/362229268.db2.gz NWICWXBFBAAJKK-AWEZNQCLSA-N 2 0 250.390 0.907 20 30 CCEDRP N#Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000063178487 348680469 /nfs/dbraw/zinc/68/04/69/348680469.db2.gz SKGHVZQLEUIYOM-OAHLLOKOSA-N 2 0 286.379 0.845 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000068195913 348801840 /nfs/dbraw/zinc/80/18/40/348801840.db2.gz HOZCHOWBUAHTPE-ZDUSSCGKSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCSCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000591728204 359648666 /nfs/dbraw/zinc/64/86/66/359648666.db2.gz RAIXAIRPNVVERV-ZDUSSCGKSA-N 2 0 273.446 0.104 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000592959551 360001301 /nfs/dbraw/zinc/00/13/01/360001301.db2.gz UMUQHPDUDBJIPQ-IHRRRGAJSA-N 2 0 294.399 0.065 20 30 CCEDRP C[C@@](C[NH3+])(NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594424427 360300003 /nfs/dbraw/zinc/30/00/03/360300003.db2.gz DJVMABIGOKQJHG-AAEUAGOBSA-N 2 0 252.362 0.641 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000594426616 360301209 /nfs/dbraw/zinc/30/12/09/360301209.db2.gz PWNQNKWGKMLWIS-RYUDHWBXSA-N 2 0 252.362 0.656 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000594426617 360301315 /nfs/dbraw/zinc/30/13/15/360301315.db2.gz PWNQNKWGKMLWIS-VXGBXAGGSA-N 2 0 252.362 0.656 20 30 CCEDRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594436298 360304176 /nfs/dbraw/zinc/30/41/76/360304176.db2.gz CVEKQXKKRYWAQR-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C[NH2+]1 ZINC000594439192 360308800 /nfs/dbraw/zinc/30/88/00/360308800.db2.gz PLWYPYAXKYBPFB-IJLUTSLNSA-N 2 0 252.362 0.606 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000594443943 360311738 /nfs/dbraw/zinc/31/17/38/360311738.db2.gz KFLOJCLRWZHBHI-UKRRQHHQSA-N 2 0 278.400 1.000 20 30 CCEDRP CC(C)CCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303870416 389081286 /nfs/dbraw/zinc/08/12/86/389081286.db2.gz FIMIOXZVTAVELW-UHFFFAOYSA-N 2 0 269.437 0.574 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000358218992 389144711 /nfs/dbraw/zinc/14/47/11/389144711.db2.gz DGJBDFANYJBNSG-CYBMUJFWSA-N 2 0 251.374 0.847 20 30 CCEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000338970035 389119568 /nfs/dbraw/zinc/11/95/68/389119568.db2.gz MKNAWYDXYZLPES-ZIAGYGMSSA-N 2 0 251.374 0.973 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000360333380 389196139 /nfs/dbraw/zinc/19/61/39/389196139.db2.gz IAWFOXBUGFGDCT-HOCLYGCPSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCNC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840758 389274292 /nfs/dbraw/zinc/27/42/92/389274292.db2.gz GPIKQSWZHKTCES-CYBMUJFWSA-N 2 0 251.374 0.706 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000170911509 389469125 /nfs/dbraw/zinc/46/91/25/389469125.db2.gz VNVHLNLFLRWHHJ-UHFFFAOYSA-N 2 0 276.388 0.210 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430920676 389834966 /nfs/dbraw/zinc/83/49/66/389834966.db2.gz PYWXDTSLKSKHPF-WDEREUQCSA-N 2 0 282.388 0.446 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000490780695 390107882 /nfs/dbraw/zinc/10/78/82/390107882.db2.gz PFRSXFGDWZNDNA-UHFFFAOYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)C ZINC000491542774 390114737 /nfs/dbraw/zinc/11/47/37/390114737.db2.gz BXIIMSYJGWNKJG-AWEZNQCLSA-N 2 0 282.432 0.779 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC000520219008 390558958 /nfs/dbraw/zinc/55/89/58/390558958.db2.gz MGAKCSLAKWPKEY-CQSZACIVSA-N 2 0 268.405 0.268 20 30 CCEDRP C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000662168409 414695212 /nfs/dbraw/zinc/69/52/12/414695212.db2.gz FFYABXXBHLBLPW-CABCVRRESA-N 2 0 291.395 0.542 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC[NH2+]1 ZINC000662772775 414779965 /nfs/dbraw/zinc/77/99/65/414779965.db2.gz QTRLNRGXEWRXOX-KCQAQPDRSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC[NH2+]1 ZINC000662777745 414785511 /nfs/dbraw/zinc/78/55/11/414785511.db2.gz CQZJRATYMSCDJY-GZBFAFLISA-N 2 0 263.385 0.895 20 30 CCEDRP C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1=CC[N@H+](C)CC1 ZINC000516922087 260281836 /nfs/dbraw/zinc/28/18/36/260281836.db2.gz IEQNLCBQHWZHKV-HIFRSBDPSA-N 2 0 280.416 0.433 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000490821018 261215293 /nfs/dbraw/zinc/21/52/93/261215293.db2.gz QDZLUVVKAGOHMA-XJKSGUPXSA-N 2 0 289.423 0.931 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnn1 ZINC000278276950 263046417 /nfs/dbraw/zinc/04/64/17/263046417.db2.gz OSRGAURBFVMRSA-LBPRGKRZSA-N 2 0 262.361 0.365 20 30 CCEDRP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](OC)C2)C1 ZINC000341878168 263362252 /nfs/dbraw/zinc/36/22/52/263362252.db2.gz SZDXMZKKCAIJBJ-ZIAGYGMSSA-N 2 0 252.358 0.431 20 30 CCEDRP CO[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)C2)C1 ZINC000341878165 263362275 /nfs/dbraw/zinc/36/22/75/263362275.db2.gz SZDXMZKKCAIJBJ-KBPBESRZSA-N 2 0 252.358 0.431 20 30 CCEDRP C=CCNC(=O)[C@H](C)N(C)C1CC[NH+](CCO)CC1 ZINC000357649321 266339590 /nfs/dbraw/zinc/33/95/90/266339590.db2.gz PJKKKPPWLWXYBN-LBPRGKRZSA-N 2 0 269.389 0.066 20 30 CCEDRP CC1(C)COCCN1CCNC(=[NH2+])NCC1CCC1 ZINC000170914949 329072507 /nfs/dbraw/zinc/07/25/07/329072507.db2.gz RKQXWSDSJXTVNG-UHFFFAOYSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262544949 330020652 /nfs/dbraw/zinc/02/06/52/330020652.db2.gz UTRIGDVZMWJGNX-GXTWGEPZSA-N 2 0 268.405 0.802 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262587165 330022145 /nfs/dbraw/zinc/02/21/45/330022145.db2.gz SWNMTKQOVBDQHR-LBPRGKRZSA-N 2 0 296.415 0.399 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCC1 ZINC000262795310 330032020 /nfs/dbraw/zinc/03/20/20/330032020.db2.gz PECRFXNOJOMKDL-NSHDSACASA-N 2 0 254.378 0.554 20 30 CCEDRP [NH2+]=C(NCCN1C[C@H]2CC[C@@H](C1)O2)NC1CCC1 ZINC000263051770 330040744 /nfs/dbraw/zinc/04/07/44/330040744.db2.gz DOOJXTZKTBJHCE-TXEJJXNPSA-N 2 0 252.362 0.306 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000263170214 330047133 /nfs/dbraw/zinc/04/71/33/330047133.db2.gz RYJCGGWZQZLRDV-LLVKDONJSA-N 2 0 273.340 0.870 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000263187319 330048218 /nfs/dbraw/zinc/04/82/18/330048218.db2.gz VBHPLLSXQNIRAR-FZMZJTMJSA-N 2 0 281.404 0.044 20 30 CCEDRP [NH2+]=C(NCC[NH+]1CCCCC1)N1CCSCC1 ZINC000263262719 330051134 /nfs/dbraw/zinc/05/11/34/330051134.db2.gz TYXFOBHRHCFKGP-UHFFFAOYSA-N 2 0 256.419 0.836 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCCC1 ZINC000424132910 330265216 /nfs/dbraw/zinc/26/52/16/330265216.db2.gz LFWBNLAMSRIFSQ-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143221 330286920 /nfs/dbraw/zinc/28/69/20/330286920.db2.gz FLWYWUOXOVDDLP-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424144221 330289681 /nfs/dbraw/zinc/28/96/81/330289681.db2.gz KTUYQPPERNXOQG-JHJVBQTASA-N 2 0 264.373 0.703 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424146424 330292982 /nfs/dbraw/zinc/29/29/82/330292982.db2.gz PTNBCSMGMQJLII-UONOGXRCSA-N 2 0 278.400 0.952 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000424159300 330306195 /nfs/dbraw/zinc/30/61/95/330306195.db2.gz VJIGEGJGBVIQTA-CYDGBPFRSA-N 2 0 264.373 0.593 20 30 CCEDRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172848 330312854 /nfs/dbraw/zinc/31/28/54/330312854.db2.gz DOYQUIPAXLZXHF-KGLIPLIRSA-N 2 0 296.415 0.577 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000424212493 330328685 /nfs/dbraw/zinc/32/86/85/330328685.db2.gz PKBDMGQKAQFBHD-ZFWWWQNUSA-N 2 0 295.427 0.897 20 30 CCEDRP N#C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000424217839 330329090 /nfs/dbraw/zinc/32/90/90/330329090.db2.gz OMZOZMDAPZDJOG-GXTWGEPZSA-N 2 0 278.400 0.998 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000430558110 330569065 /nfs/dbraw/zinc/56/90/65/330569065.db2.gz YCINXGZDYJAOJS-GFCCVEGCSA-N 2 0 296.415 0.708 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000491327598 332191457 /nfs/dbraw/zinc/19/14/57/332191457.db2.gz WVJHQSOTRGVREA-HNNXBMFYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491515602 332227440 /nfs/dbraw/zinc/22/74/40/332227440.db2.gz OKXNYEGQVYTVBF-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000491664410 332273175 /nfs/dbraw/zinc/27/31/75/332273175.db2.gz UBTLRZKOPXZSBF-UHFFFAOYSA-N 2 0 278.400 0.431 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000491701543 332295998 /nfs/dbraw/zinc/29/59/98/332295998.db2.gz XERLKRHEQRAZAC-HNNXBMFYSA-N 2 0 280.416 0.630 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000491723944 332308487 /nfs/dbraw/zinc/30/84/87/332308487.db2.gz ACSDZYLQMCODQC-CYBMUJFWSA-N 2 0 266.389 0.464 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000516762100 333081908 /nfs/dbraw/zinc/08/19/08/333081908.db2.gz UNGJNOWIKLXZPH-CVEARBPZSA-N 2 0 296.459 0.760 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000113656028 526630370 /nfs/dbraw/zinc/63/03/70/526630370.db2.gz PZSSYEYCVYSNDY-LBPRGKRZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000876788093 613388990 /nfs/dbraw/zinc/38/89/90/613388990.db2.gz XPYYQEZQQGVLEY-QWRGUYRKSA-N 2 0 257.765 0.809 20 30 CCEDRP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCOCC1 ZINC000887122096 612970705 /nfs/dbraw/zinc/97/07/05/612970705.db2.gz KVGWWIULHYKXHN-ZDUSSCGKSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549810 613013064 /nfs/dbraw/zinc/01/30/64/613013064.db2.gz YKQKVOCUAKPWCG-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978344808 613041238 /nfs/dbraw/zinc/04/12/38/613041238.db2.gz GFTTWCFYXHKGMG-JONQDZQNSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000980479880 613129718 /nfs/dbraw/zinc/12/97/18/613129718.db2.gz YMSZYMHMMHAGKC-INIZCTEOSA-N 2 0 287.407 0.498 20 30 CCEDRP C[NH+]=C(NCCCC[NH+]1CCOCC1)NC1CC1 ZINC000848989234 613219226 /nfs/dbraw/zinc/21/92/26/613219226.db2.gz HYONMLPLJSMCOL-UHFFFAOYSA-N 2 0 254.378 0.426 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000961937620 613315356 /nfs/dbraw/zinc/31/53/56/613315356.db2.gz AJIUCKAUUVBCMT-XUWVNRHRSA-N 2 0 289.423 0.929 20 30 CCEDRP C=C(C)CN1CCN(C(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000949840851 613318446 /nfs/dbraw/zinc/31/84/46/613318446.db2.gz OQJUIFYTJLPWPY-HNNXBMFYSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000909145952 613364578 /nfs/dbraw/zinc/36/45/78/613364578.db2.gz KNBZRLYGDIHQKM-ITGUQSILSA-N 2 0 251.374 0.513 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000900187410 613364789 /nfs/dbraw/zinc/36/47/89/613364789.db2.gz HVPRKPOHLLPWPF-UHFFFAOYSA-N 2 0 296.459 0.638 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC1CC[NH+](C)CC1 ZINC000900484630 613364811 /nfs/dbraw/zinc/36/48/11/613364811.db2.gz MWZQARZRERNTSV-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000907452756 613365548 /nfs/dbraw/zinc/36/55/48/613365548.db2.gz QMAGJADAGUYBAV-OAHLLOKOSA-N 2 0 296.459 0.637 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000900613119 613365585 /nfs/dbraw/zinc/36/55/85/613365585.db2.gz ILUSIZZCTBCZLS-CQSZACIVSA-N 2 0 282.432 0.246 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862794077 613366554 /nfs/dbraw/zinc/36/65/54/613366554.db2.gz WASZBMPRDFEMSA-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CC[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438839 613400004 /nfs/dbraw/zinc/40/00/04/613400004.db2.gz DJNJHFPZPLYIJC-XQHKEYJVSA-N 2 0 265.357 0.818 20 30 CCEDRP CC#CC[N@@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000982036096 613549483 /nfs/dbraw/zinc/54/94/83/613549483.db2.gz ZLPAYULWUNOMEQ-UHFFFAOYSA-N 2 0 260.341 0.510 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979067813 613628614 /nfs/dbraw/zinc/62/86/14/613628614.db2.gz CEOQUBLIXATSFF-TUVASFSCSA-N 2 0 275.396 0.255 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC000961760962 613634514 /nfs/dbraw/zinc/63/45/14/613634514.db2.gz AXLPXGGHFIYHGA-TTZDDIAXSA-N 2 0 275.396 0.398 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970360851 613662124 /nfs/dbraw/zinc/66/21/24/613662124.db2.gz ITRUUGRUALBMEI-GFCCVEGCSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924603818 613674270 /nfs/dbraw/zinc/67/42/70/613674270.db2.gz JJUUGYOGOLEOLZ-LBPRGKRZSA-N 2 0 280.372 0.119 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900598516 613675848 /nfs/dbraw/zinc/67/58/48/613675848.db2.gz HOZHNUQGLBOMCA-ZFWWWQNUSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000864409536 613849423 /nfs/dbraw/zinc/84/94/23/613849423.db2.gz XPFNXCYCRAEDNI-CHWSQXEVSA-N 2 0 268.405 0.553 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923496346 613851688 /nfs/dbraw/zinc/85/16/88/613851688.db2.gz BLARZYGQHOUZBS-WOPDTQHZSA-N 2 0 282.388 0.303 20 30 CCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884036551 614286769 /nfs/dbraw/zinc/28/67/69/614286769.db2.gz YGPLXDPEAYKXBR-PBOMKEBTSA-N 2 0 278.400 0.615 20 30 CCEDRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862019 614381918 /nfs/dbraw/zinc/38/19/18/614381918.db2.gz PZGICHOCDHZADY-OAHLLOKOSA-N 2 0 277.412 0.836 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884246591 614443159 /nfs/dbraw/zinc/44/31/59/614443159.db2.gz UHELPQDEAHRXBB-IQXANGCESA-N 2 0 290.411 0.726 20 30 CCEDRP CC[NH+]1CCC(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852862131 615099097 /nfs/dbraw/zinc/09/90/97/615099097.db2.gz UMJKMRKTGUMVRM-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834483979 615112189 /nfs/dbraw/zinc/11/21/89/615112189.db2.gz BZLDORMLOGINRD-GRYCIOLGSA-N 2 0 250.346 0.089 20 30 CCEDRP CCN1CC[NH+](CCCCNC2=[NH+]CCCN2C)CC1 ZINC000848989984 615156985 /nfs/dbraw/zinc/15/69/85/615156985.db2.gz PMPCSEFHDZLLGA-UHFFFAOYSA-N 2 0 281.448 0.685 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000913520778 615857373 /nfs/dbraw/zinc/85/73/73/615857373.db2.gz YEXOHPLBLHGWPG-GFCCVEGCSA-N 2 0 269.414 0.105 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001026401878 625431641 /nfs/dbraw/zinc/43/16/41/625431641.db2.gz ZLVSRDOPKIKWGN-RRFJBIMHSA-N 2 0 287.407 0.542 20 30 CCEDRP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365533 623301250 /nfs/dbraw/zinc/30/12/50/623301250.db2.gz CEDZGAUZRUAFBO-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452554 624997630 /nfs/dbraw/zinc/99/76/30/624997630.db2.gz NWRDRVIVXIAGBE-VAVUMJPSSA-N 2 0 291.395 0.272 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000104174638 630767654 /nfs/dbraw/zinc/76/76/54/630767654.db2.gz SXFSYZRTTITITK-AWEZNQCLSA-N 2 0 281.448 0.671 20 30 CCEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCCO1 ZINC000261874134 631665511 /nfs/dbraw/zinc/66/55/11/631665511.db2.gz PNTPMVMUEBDPGJ-DGCLKSJQSA-N 2 0 266.389 0.554 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261875194 631666408 /nfs/dbraw/zinc/66/64/08/631666408.db2.gz PRJJWVMQJAHRCY-VXGBXAGGSA-N 2 0 254.378 0.412 20 30 CCEDRP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261979639 631742439 /nfs/dbraw/zinc/74/24/39/631742439.db2.gz ONNZDOOLQZVFGK-WCQYABFASA-N 2 0 295.431 0.159 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261989445 631744434 /nfs/dbraw/zinc/74/44/34/631744434.db2.gz QXBUNGYXVVNJBF-KWCYVHTRSA-N 2 0 280.416 0.813 20 30 CCEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000985351560 632445707 /nfs/dbraw/zinc/44/57/07/632445707.db2.gz GXRDMKXVIZJDJO-HNNXBMFYSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC#C)CC1 ZINC000985474947 632507605 /nfs/dbraw/zinc/50/76/05/632507605.db2.gz IEIURXRODXVUHV-INIZCTEOSA-N 2 0 287.407 0.640 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987127893 632826022 /nfs/dbraw/zinc/82/60/22/632826022.db2.gz ZTJPKSVNDPIMCV-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821505 638802104 /nfs/dbraw/zinc/80/21/04/638802104.db2.gz IMJNZCSZPRDOBU-GJZGRUSLSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996301448 638815013 /nfs/dbraw/zinc/81/50/13/638815013.db2.gz SYCPLYHPMHGFAO-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616466 638824451 /nfs/dbraw/zinc/82/44/51/638824451.db2.gz SGVDCRZCJASGRC-OLZOCXBDSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CC1(C)C ZINC000996648369 638826396 /nfs/dbraw/zinc/82/63/96/638826396.db2.gz RMVXUKUIVKRDFG-ZIAGYGMSSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002127540 639370073 /nfs/dbraw/zinc/37/00/73/639370073.db2.gz SEZQQUCEWNZOHM-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001003984006 639662285 /nfs/dbraw/zinc/66/22/85/639662285.db2.gz YIEPNUVTDDKTEG-UHFFFAOYSA-N 2 0 286.379 0.975 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015796352 650630367 /nfs/dbraw/zinc/63/03/67/650630367.db2.gz KZHFKMQZCDCALZ-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899655 650652344 /nfs/dbraw/zinc/65/23/44/650652344.db2.gz PIZHURINMAELRP-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016252099 650706035 /nfs/dbraw/zinc/70/60/35/650706035.db2.gz YWKKDZGYLDGMSD-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016263287 650708163 /nfs/dbraw/zinc/70/81/63/650708163.db2.gz XIYUZHSUQNNEIG-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000834485629 642577762 /nfs/dbraw/zinc/57/77/62/642577762.db2.gz ZOFASZXZCUPLTE-KGYLQXTDSA-N 2 0 276.315 0.096 20 30 CCEDRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834494143 642582907 /nfs/dbraw/zinc/58/29/07/642582907.db2.gz KRRDXSDDIYPZJA-TVYUQYBPSA-N 2 0 258.325 0.548 20 30 CCEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@@H]([NH3+])c1ccccc1 ZINC000841850137 642843580 /nfs/dbraw/zinc/84/35/80/642843580.db2.gz ZCINVSDZDLCRQR-IGHBBLSQSA-N 2 0 272.352 0.550 20 30 CCEDRP C[C@]([NH3+])(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccccc1 ZINC000843461279 643065464 /nfs/dbraw/zinc/06/54/64/643065464.db2.gz TZGJTYRXMYCVLG-ZKYQVNSYSA-N 2 0 258.325 0.088 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000846559665 643421163 /nfs/dbraw/zinc/42/11/63/643421163.db2.gz VJIHZXBGQXOOLR-UHFFFAOYSA-N 2 0 265.361 0.501 20 30 CCEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]3[NH3+])CC2)c1 ZINC000846701303 643450744 /nfs/dbraw/zinc/45/07/44/643450744.db2.gz VHXDFNVGZXREEY-JKSUJKDBSA-N 2 0 298.390 0.986 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCCCCCCNC2=[NH+]C[C@H](C)N2)N1 ZINC000849019570 643701488 /nfs/dbraw/zinc/70/14/88/643701488.db2.gz GXHWRMPYIRKIOW-TXEJJXNPSA-N 2 0 280.420 0.421 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000852792739 643999932 /nfs/dbraw/zinc/99/99/32/643999932.db2.gz BHIIHWMEGBYPON-UHFFFAOYSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001019094796 650938159 /nfs/dbraw/zinc/93/81/59/650938159.db2.gz MQCBGLBUKFDLSF-ZDUSSCGKSA-N 2 0 268.320 0.772 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC3CC3)C2)CC1 ZINC001019813787 651007672 /nfs/dbraw/zinc/00/76/72/651007672.db2.gz NGXWRECFUGQIKZ-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000876529406 646620778 /nfs/dbraw/zinc/62/07/78/646620778.db2.gz IBBVKKRLLLOMNZ-XHDPSFHLSA-N 2 0 284.363 0.565 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000876801347 646668951 /nfs/dbraw/zinc/66/89/51/646668951.db2.gz BKWZGYBPHNMALU-VXGBXAGGSA-N 2 0 262.357 0.090 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877185498 646752200 /nfs/dbraw/zinc/75/22/00/646752200.db2.gz CHIOSDWLXIYLIY-LXVYMNJGSA-N 2 0 264.373 0.880 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)[NH2+]1 ZINC000884029925 647618689 /nfs/dbraw/zinc/61/86/89/647618689.db2.gz AMMQLSYRFBKXMC-SOULVHCYSA-N 2 0 276.384 0.335 20 30 CCEDRP C[C@@H]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[NH2+]1 ZINC000884438239 647738408 /nfs/dbraw/zinc/73/84/08/647738408.db2.gz WRQPKFSULJDGIH-BOEZANNTSA-N 2 0 276.384 0.382 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000104174523 648204782 /nfs/dbraw/zinc/20/47/82/648204782.db2.gz KHWHDMRESPOLSD-NEPJUHHUSA-N 2 0 256.394 0.658 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303382525 649817500 /nfs/dbraw/zinc/81/75/00/649817500.db2.gz SMYQWFWPLRURLQ-LBPRGKRZSA-N 2 0 253.394 0.103 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCCC(C)C)CC1 ZINC000303870736 649825920 /nfs/dbraw/zinc/82/59/20/649825920.db2.gz BJPNVLSHVPUACL-CQSZACIVSA-N 2 0 283.464 0.963 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C)C1 ZINC000303882471 649826194 /nfs/dbraw/zinc/82/61/94/649826194.db2.gz ICEYJYPWSNUWFU-QWHCGFSZSA-N 3 0 267.421 0.327 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303898399 649826558 /nfs/dbraw/zinc/82/65/58/649826558.db2.gz VNASTYCSETVDQW-AWEZNQCLSA-N 2 0 283.464 0.739 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303898404 649826607 /nfs/dbraw/zinc/82/66/07/649826607.db2.gz VNASTYCSETVDQW-CQSZACIVSA-N 2 0 283.464 0.739 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303907560 649826960 /nfs/dbraw/zinc/82/69/60/649826960.db2.gz WXWQORMXTFMQLZ-UHFFFAOYSA-N 2 0 269.437 0.574 20 30 CCEDRP CCCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304753173 649838235 /nfs/dbraw/zinc/83/82/35/649838235.db2.gz YFAXEJFBJWSGIK-UHFFFAOYSA-N 2 0 255.410 0.327 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304754171 649838352 /nfs/dbraw/zinc/83/83/52/649838352.db2.gz LRBDSODLDHEOEL-UHFFFAOYSA-N 2 0 254.378 0.578 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266544897 790907576 /nfs/dbraw/zinc/90/75/76/790907576.db2.gz KYCZUTCAHYLWNE-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001277476110 805703294 /nfs/dbraw/zinc/70/32/94/805703294.db2.gz MVRRXBPMTUKIDS-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001277783582 806042866 /nfs/dbraw/zinc/04/28/66/806042866.db2.gz WMNHPKHZXDGPPM-STQMWFEESA-N 2 0 269.389 0.330 20 30 CCEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266940270 791376274 /nfs/dbraw/zinc/37/62/74/791376274.db2.gz ZQFUQNJMAQADQH-JSGCOSHPSA-N 2 0 265.401 0.999 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001266944961 791381504 /nfs/dbraw/zinc/38/15/04/791381504.db2.gz WDELGMSCGKIEDK-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC#CCOC ZINC001267116700 791557169 /nfs/dbraw/zinc/55/71/69/791557169.db2.gz FLJAWUQDCBZPPO-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267195752 791655476 /nfs/dbraw/zinc/65/54/76/791655476.db2.gz MIEZABZZROMYIQ-CQSZACIVSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267226585 791705102 /nfs/dbraw/zinc/70/51/02/791705102.db2.gz XCUJXLBCJNIMAL-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277908984 806315033 /nfs/dbraw/zinc/31/50/33/806315033.db2.gz WWNHTZCLBGWOOF-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@H]2C1 ZINC001277949654 806437400 /nfs/dbraw/zinc/43/74/00/806437400.db2.gz ZNRAKQDQUGSOLL-KBPBESRZSA-N 2 0 290.411 0.822 20 30 CCEDRP [NH3+][C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C12CCC2 ZINC001122341980 799205887 /nfs/dbraw/zinc/20/58/87/799205887.db2.gz TUFFOECDUGHVLK-QWHCGFSZSA-N 2 0 261.369 0.376 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001124872453 799641529 /nfs/dbraw/zinc/64/15/29/799641529.db2.gz GHPFTJOYDPVZQW-MRXNPFEDSA-N 2 0 285.391 0.838 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150553972 800345500 /nfs/dbraw/zinc/34/55/00/800345500.db2.gz OOCSLTDSRGWESI-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150553973 800345776 /nfs/dbraw/zinc/34/57/76/800345776.db2.gz OOCSLTDSRGWESI-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152147323 800496027 /nfs/dbraw/zinc/49/60/27/800496027.db2.gz LUXUHQGLNYLJOO-BETUJISGSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226372 800935539 /nfs/dbraw/zinc/93/55/39/800935539.db2.gz JWUMCHKPOMPWEW-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789187 801050956 /nfs/dbraw/zinc/05/09/56/801050956.db2.gz AYDNKJATIFKHEH-NSHDSACASA-N 2 0 259.781 0.929 20 30 CCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156884299 801253597 /nfs/dbraw/zinc/25/35/97/801253597.db2.gz XRJLFGPHZZBGRW-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@]23CCC[NH2+]C3)CCC[NH2+]1 ZINC001158162232 801580390 /nfs/dbraw/zinc/58/03/90/801580390.db2.gz VUZRTCYIVHTMAZ-JKSUJKDBSA-N 2 0 275.396 0.877 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196022 801587486 /nfs/dbraw/zinc/58/74/86/801587486.db2.gz HYTUQENDXILGFH-HNNXBMFYSA-N 2 0 295.427 0.627 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159154988 801764910 /nfs/dbraw/zinc/76/49/10/801764910.db2.gz GJSCAVGNJULJBF-ZDUSSCGKSA-N 2 0 271.380 0.786 20 30 CCEDRP CN(CC[NH3+])CCNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159431538 801803738 /nfs/dbraw/zinc/80/37/38/801803738.db2.gz OMTSNFNWUQTDHM-UHFFFAOYSA-N 2 0 288.399 0.291 20 30 CCEDRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C[C@H]2C1 ZINC001160705370 802007454 /nfs/dbraw/zinc/00/74/54/802007454.db2.gz WLMFIMPRMANGCQ-XHSDSOJGSA-N 2 0 298.390 0.448 20 30 CCEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161138990 802099326 /nfs/dbraw/zinc/09/93/26/802099326.db2.gz IVKUCLOWVBFDCK-SDDRHHMPSA-N 2 0 280.347 0.323 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165509104 802848596 /nfs/dbraw/zinc/84/85/96/802848596.db2.gz JOXJVCWBSPOWQW-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP N#Cc1cccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946497 803189528 /nfs/dbraw/zinc/18/95/28/803189528.db2.gz MVLJMTJPOMOXAE-HUUCEWRRSA-N 2 0 259.353 0.885 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567939 803421506 /nfs/dbraw/zinc/42/15/06/803421506.db2.gz HGJNDYBVMSAGFF-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207610155 803423903 /nfs/dbraw/zinc/42/39/03/803423903.db2.gz MQYMGKBLPWHFSR-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208699894 803537311 /nfs/dbraw/zinc/53/73/11/803537311.db2.gz YQSMOAMCQUJUQD-MCIONIFRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001276596248 803551225 /nfs/dbraw/zinc/55/12/25/803551225.db2.gz WZXSFVXCHTVJHM-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298931 803647065 /nfs/dbraw/zinc/64/70/65/803647065.db2.gz UYRPDISXYPPMNM-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211370962 803677620 /nfs/dbraw/zinc/67/76/20/803677620.db2.gz FSOHTFBREIBUCA-CHWSQXEVSA-N 2 0 253.390 0.949 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005590 803863055 /nfs/dbraw/zinc/86/30/55/803863055.db2.gz KUYIJIMAANOKAX-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP N#Cc1cc[nH]c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218654295 804065424 /nfs/dbraw/zinc/06/54/24/804065424.db2.gz JPQNBCAUKNPEIC-LLVKDONJSA-N 2 0 273.340 0.699 20 30 CCEDRP N#Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ccc1O ZINC001218954493 804166070 /nfs/dbraw/zinc/16/60/70/804166070.db2.gz OCJLSXJOEYTFFZ-IAQYHMDHSA-N 2 0 286.335 0.401 20 30 CCEDRP COc1cccc(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)c1C#N ZINC001218977984 804171891 /nfs/dbraw/zinc/17/18/91/804171891.db2.gz KJVBFGMEUNXCQL-LLVKDONJSA-N 2 0 285.307 0.798 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218981900 804173607 /nfs/dbraw/zinc/17/36/07/804173607.db2.gz XWQHAJWKHLFVMZ-AWEZNQCLSA-N 2 0 287.367 0.865 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219868883 804435009 /nfs/dbraw/zinc/43/50/09/804435009.db2.gz CJNQYGFYGCGQOF-UPJWGTAASA-N 2 0 269.389 0.064 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001220062296 804491331 /nfs/dbraw/zinc/49/13/31/804491331.db2.gz UGOSHGQOUBYKKX-JSGCOSHPSA-N 2 0 251.374 0.718 20 30 CCEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220124658 804506444 /nfs/dbraw/zinc/50/64/44/804506444.db2.gz GSJPFTBHFXEHNO-LBPRGKRZSA-N 2 0 295.383 0.096 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@H](C[NH3+])c1cccc(OC)c1 ZINC001221405081 804805531 /nfs/dbraw/zinc/80/55/31/804805531.db2.gz PUYQEPUPETVBMX-OCCSQVGLSA-N 2 0 261.325 0.162 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777220 804842629 /nfs/dbraw/zinc/84/26/29/804842629.db2.gz YMNRZOBGIFYMGR-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227796815 805391916 /nfs/dbraw/zinc/39/19/16/805391916.db2.gz BBPWRWQXBFLORC-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227818384 805395968 /nfs/dbraw/zinc/39/59/68/805395968.db2.gz VSOSQRSUJLQFEC-CQSZACIVSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CCO)CC1 ZINC001277362812 805510025 /nfs/dbraw/zinc/51/00/25/805510025.db2.gz NAUHSRKLEFWITN-CQSZACIVSA-N 2 0 295.427 0.198 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989701 807108724 /nfs/dbraw/zinc/10/87/24/807108724.db2.gz NROMCBFKVGCGHP-AWEZNQCLSA-N 2 0 253.390 0.339 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246303574 807215613 /nfs/dbraw/zinc/21/56/13/807215613.db2.gz GYSNKMRHNUSJTB-SKDRFNHKSA-N 2 0 261.325 0.929 20 30 CCEDRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC#CC[NH+](C)C ZINC001251708112 807697061 /nfs/dbraw/zinc/69/70/61/807697061.db2.gz KKFFBGHHCXPARG-ZDUSSCGKSA-N 2 0 266.389 0.287 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCCC[NH+](CC)CC ZINC001251881231 807732828 /nfs/dbraw/zinc/73/28/28/807732828.db2.gz PVMRFXDYXGQRFM-CQSZACIVSA-N 2 0 256.390 0.709 20 30 CCEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038117676 815154255 /nfs/dbraw/zinc/15/42/55/815154255.db2.gz PPSSPRGIPHNFQP-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C[C@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001253568188 808081276 /nfs/dbraw/zinc/08/12/76/808081276.db2.gz XYJPJAOSRNFLID-AWEZNQCLSA-N 2 0 255.406 0.493 20 30 CCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278787885 808244980 /nfs/dbraw/zinc/24/49/80/808244980.db2.gz XJYMNMCUALZLAQ-OAHLLOKOSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001278815916 808280517 /nfs/dbraw/zinc/28/05/17/808280517.db2.gz LFSZKTVNDUKKCA-OAHLLOKOSA-N 2 0 283.416 0.457 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256584411 808536976 /nfs/dbraw/zinc/53/69/76/808536976.db2.gz DDEDDGBIBYTXKO-KGLIPLIRSA-N 2 0 278.400 0.430 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C[NH3+])C2 ZINC001262050246 809173010 /nfs/dbraw/zinc/17/30/10/809173010.db2.gz WREHVNUYGCTIFS-CBKZZEEASA-N 2 0 262.357 0.075 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001263879558 809597160 /nfs/dbraw/zinc/59/71/60/809597160.db2.gz ZYZYOMUGXWMNCI-KKUMJFAQSA-N 2 0 293.411 0.072 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265566939 809805352 /nfs/dbraw/zinc/80/53/52/809805352.db2.gz PWRQFCMLXCTVNT-HZSPNIEDSA-N 2 0 265.401 0.833 20 30 CCEDRP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001266134347 809945340 /nfs/dbraw/zinc/94/53/40/809945340.db2.gz WEDXONJGXJTSFQ-ZIAGYGMSSA-N 2 0 283.416 0.768 20 30 CCEDRP CC#CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001266174655 809956114 /nfs/dbraw/zinc/95/61/14/809956114.db2.gz PKKNKNNBPBVMBH-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001279287956 809973522 /nfs/dbraw/zinc/97/35/22/809973522.db2.gz DTMFPXYROHVVEY-RUXDESIVSA-N 2 0 265.401 0.929 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279408646 809977356 /nfs/dbraw/zinc/97/73/56/809977356.db2.gz GYKBYKRBWAAUNJ-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509220 809984092 /nfs/dbraw/zinc/98/40/92/809984092.db2.gz IPVIUAINMRWEJV-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001267280209 811087010 /nfs/dbraw/zinc/08/70/10/811087010.db2.gz BJTOOJROCUKDSU-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267948217 811882371 /nfs/dbraw/zinc/88/23/71/811882371.db2.gz WCDAUDLBUCYOEP-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008530629 811904591 /nfs/dbraw/zinc/90/45/91/811904591.db2.gz BGWLAQRFBDUJPC-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011463 811949238 /nfs/dbraw/zinc/94/92/38/811949238.db2.gz WIUAQZPAJFMSFI-AWEZNQCLSA-N 2 0 293.411 0.074 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000092493013 812049475 /nfs/dbraw/zinc/04/94/75/812049475.db2.gz CLIXYZARIVOHIL-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001268042423 812077630 /nfs/dbraw/zinc/07/76/30/812077630.db2.gz QJUDJUYSFHXCEN-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001268179068 812348921 /nfs/dbraw/zinc/34/89/21/812348921.db2.gz OAHBYBLIPAKIQH-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001268217736 812370125 /nfs/dbraw/zinc/37/01/25/812370125.db2.gz CVYNHEJIGLTSCO-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268303650 812466622 /nfs/dbraw/zinc/46/66/22/812466622.db2.gz BQXGBTFIKHYRDE-STQMWFEESA-N 2 0 269.389 0.112 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268322778 812487297 /nfs/dbraw/zinc/48/72/97/812487297.db2.gz ZPHHSNJKKYDNMA-HUUCEWRRSA-N 2 0 297.443 0.751 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268327256 812489252 /nfs/dbraw/zinc/48/92/52/812489252.db2.gz ILIBCSQCFLGWLN-OAHLLOKOSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268590007 812877081 /nfs/dbraw/zinc/87/70/81/812877081.db2.gz BOARTECLLBRZPG-GJBLVYBDSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001268911321 813141956 /nfs/dbraw/zinc/14/19/56/813141956.db2.gz LESWNALFFPPJQV-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001269511421 813398138 /nfs/dbraw/zinc/39/81/38/813398138.db2.gz YAUXZXMABKAAOI-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001269540869 813407905 /nfs/dbraw/zinc/40/79/05/813407905.db2.gz PKSDDIQDWXBUPB-STQMWFEESA-N 2 0 263.385 0.731 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930545 813669393 /nfs/dbraw/zinc/66/93/93/813669393.db2.gz YWNAZYFHFZTZIU-CYBMUJFWSA-N 2 0 263.385 0.706 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271066847 814135857 /nfs/dbraw/zinc/13/58/57/814135857.db2.gz AUSMGHDRTFYAEF-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022389 814206388 /nfs/dbraw/zinc/20/63/88/814206388.db2.gz ODYPAAQHTFFVCD-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271965464 814655175 /nfs/dbraw/zinc/65/51/75/814655175.db2.gz MAIWPLBWLNZUBP-ZBFHGGJFSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941586 816017183 /nfs/dbraw/zinc/01/71/83/816017183.db2.gz CSSLRRORYVVXQT-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327186 816746953 /nfs/dbraw/zinc/74/69/53/816746953.db2.gz HMEJVIVHIOZZSV-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681437 817241130 /nfs/dbraw/zinc/24/11/30/817241130.db2.gz RRMQPVIOQOJCRC-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203456351 817971293 /nfs/dbraw/zinc/97/12/93/817971293.db2.gz WBWZSVPFUHAJJK-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019052 818433827 /nfs/dbraw/zinc/43/38/27/818433827.db2.gz RMWSBPLJSWDLMT-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128544439 818622178 /nfs/dbraw/zinc/62/21/78/818622178.db2.gz MJNNRLLGFIFAJN-LBPRGKRZSA-N 2 0 257.353 0.395 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033396134 818752726 /nfs/dbraw/zinc/75/27/26/818752726.db2.gz MMSNUSOHLHRLLV-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033839847 818963797 /nfs/dbraw/zinc/96/37/97/818963797.db2.gz WCZNRNADENTVKO-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001229895271 819321952 /nfs/dbraw/zinc/32/19/52/819321952.db2.gz IOJQCZXDWYYWRR-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080383591 820558493 /nfs/dbraw/zinc/55/84/93/820558493.db2.gz LILBDBZOMLPBDA-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326942 820939889 /nfs/dbraw/zinc/93/98/89/820939889.db2.gz VZFJNRAHZKTPOT-RRFJBIMHSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515720 820992579 /nfs/dbraw/zinc/99/25/79/820992579.db2.gz VTJRDPXMFOSMEU-VHDGCEQUSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393966 821093456 /nfs/dbraw/zinc/09/34/56/821093456.db2.gz SAQPKYOLOLIINC-KGLIPLIRSA-N 2 0 293.411 0.352 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871864 821465535 /nfs/dbraw/zinc/46/55/35/821465535.db2.gz LEVSVDVMICWFKH-KBPBESRZSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092795 821493449 /nfs/dbraw/zinc/49/34/49/821493449.db2.gz QCIKWDNDTNBZRF-KFWWJZLASA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085560 822106540 /nfs/dbraw/zinc/10/65/40/822106540.db2.gz JHOHKKUZDBVSBE-WCVJEAGWSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091928 822111674 /nfs/dbraw/zinc/11/16/74/822111674.db2.gz SNUFQVULSGAKHN-LXTVHRRPSA-N 2 0 293.411 0.520 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326999 822136376 /nfs/dbraw/zinc/13/63/76/822136376.db2.gz DHIXQQAPLLHTCQ-CQSZACIVSA-N 2 0 265.401 0.693 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581184 844045779 /nfs/dbraw/zinc/04/57/79/844045779.db2.gz GCOGMDMGVPUQMZ-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361494 844099158 /nfs/dbraw/zinc/09/91/58/844099158.db2.gz IVRWKIAPYBATHP-UHFFFAOYSA-N 2 0 295.427 0.608 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC001184309613 844199310 /nfs/dbraw/zinc/19/93/10/844199310.db2.gz HTISSEUZKJUDMG-CQSZACIVSA-N 2 0 292.383 0.585 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874876 837944414 /nfs/dbraw/zinc/94/44/14/837944414.db2.gz RQJQTHLLELNFCU-UHFFFAOYSA-N 2 0 288.351 0.856 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158215 844850280 /nfs/dbraw/zinc/85/02/80/844850280.db2.gz HTPXTHMIYCCIBP-CQSZACIVSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131845436 838242962 /nfs/dbraw/zinc/24/29/62/838242962.db2.gz ZMDFYHZKSNXLFE-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132859257 838505714 /nfs/dbraw/zinc/50/57/14/838505714.db2.gz ZAWQXZAQDOIVOZ-GFCCVEGCSA-N 2 0 289.807 0.554 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995477 838532480 /nfs/dbraw/zinc/53/24/80/838532480.db2.gz UXQXJHZIJXUFJJ-UHFFFAOYSA-N 2 0 269.389 0.237 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133862733 838753060 /nfs/dbraw/zinc/75/30/60/838753060.db2.gz FRVHYEQVBZUOHV-QWHCGFSZSA-N 2 0 269.389 0.093 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020478 838818839 /nfs/dbraw/zinc/81/88/39/838818839.db2.gz BSUMYRQQKFZIHZ-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134121243 838878834 /nfs/dbraw/zinc/87/88/34/838878834.db2.gz UHLQYOYPUAZLCU-CVEARBPZSA-N 2 0 285.391 0.671 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114820 839163377 /nfs/dbraw/zinc/16/33/77/839163377.db2.gz PBVDNIBUOCPLCQ-UHFFFAOYSA-N 2 0 299.806 0.517 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001098488187 839187735 /nfs/dbraw/zinc/18/77/35/839187735.db2.gz KGNKBZCEURSYSH-UHFFFAOYSA-N 2 0 292.383 0.424 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336791 839220312 /nfs/dbraw/zinc/22/03/12/839220312.db2.gz KHYOGBWDGBMXAF-UHFFFAOYSA-N 2 0 259.353 0.701 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937836 839473762 /nfs/dbraw/zinc/47/37/62/839473762.db2.gz APNAFRHMLJDANL-QWHCGFSZSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185651165 844441744 /nfs/dbraw/zinc/44/17/44/844441744.db2.gz VJVHJPROMIOCQN-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537688 839625707 /nfs/dbraw/zinc/62/57/07/839625707.db2.gz MYUJVRNROFCOJJ-LSDHHAIUSA-N 2 0 295.427 0.456 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273264 839742393 /nfs/dbraw/zinc/74/23/93/839742393.db2.gz KEEZNGBNXBISJD-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090763418 839784679 /nfs/dbraw/zinc/78/46/79/839784679.db2.gz HYXLMIPSEWAVFT-JSGCOSHPSA-N 2 0 292.383 0.388 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)cn1 ZINC001144160204 839964709 /nfs/dbraw/zinc/96/47/09/839964709.db2.gz BNOUPCIPDWKABQ-UHFFFAOYSA-N 2 0 275.400 0.878 20 30 CCEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086873760 840934025 /nfs/dbraw/zinc/93/40/25/840934025.db2.gz YNDBVKGMZWUTAZ-MELADBBJSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504588 841030582 /nfs/dbraw/zinc/03/05/82/841030582.db2.gz SIOFUPSYDNKXMB-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCC#N ZINC001172493378 841935495 /nfs/dbraw/zinc/93/54/95/841935495.db2.gz ZJTJDQPRGPSYLM-NEPJUHHUSA-N 2 0 254.378 0.902 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176857226 842450345 /nfs/dbraw/zinc/45/03/45/842450345.db2.gz SYDXOHUEDUYZHR-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138545 843105412 /nfs/dbraw/zinc/10/54/12/843105412.db2.gz ICCDAIBRLDSUAS-MJBXVCDLSA-N 2 0 263.385 0.540 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151048427 843546457 /nfs/dbraw/zinc/54/64/57/843546457.db2.gz BAFLHQUVMXSPDR-SNVBAGLBSA-N 2 0 290.205 0.553 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001182692275 843895507 /nfs/dbraw/zinc/89/55/07/843895507.db2.gz GRDXXCYYBGVGPB-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001183045437 843956383 /nfs/dbraw/zinc/95/63/83/843956383.db2.gz ZWRNDFJRGYKVFH-OKILXGFUSA-N 2 0 263.385 0.658 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001183091441 843961979 /nfs/dbraw/zinc/96/19/79/843961979.db2.gz GOMPQMKRINRLAD-UHFFFAOYSA-N 3 0 295.431 0.702 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107154 844646115 /nfs/dbraw/zinc/64/61/15/844646115.db2.gz WCAUYLPBYUUDSV-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046313 845768398 /nfs/dbraw/zinc/76/83/98/845768398.db2.gz MRBMRBTXOKIUFB-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001752 846201995 /nfs/dbraw/zinc/20/19/95/846201995.db2.gz KDVPATGBVAMNQE-HUUCEWRRSA-N 2 0 295.427 0.673 20 30 CCEDRP N#Cc1cccnc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001196561416 846775853 /nfs/dbraw/zinc/77/58/53/846775853.db2.gz RTXBDUGZLBOMDY-UHFFFAOYSA-N 2 0 260.301 0.028 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197791243 846966319 /nfs/dbraw/zinc/96/63/19/846966319.db2.gz DOTXQCZNXSWHPK-RRFJBIMHSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606613 847673489 /nfs/dbraw/zinc/67/34/89/847673489.db2.gz RSUZPDZQCQOXIL-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201052629 847719621 /nfs/dbraw/zinc/71/96/21/847719621.db2.gz GTVDBWIQKIZUTP-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201428980 847779509 /nfs/dbraw/zinc/77/95/09/847779509.db2.gz DGAFRYTTYSSIPN-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864364 847820532 /nfs/dbraw/zinc/82/05/32/847820532.db2.gz WEVGPOFVWXLBPH-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202056759 847851049 /nfs/dbraw/zinc/85/10/49/847851049.db2.gz BLGVKJXGPKYXKO-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442343 848066067 /nfs/dbraw/zinc/06/60/67/848066067.db2.gz DYQAZUFFELFFSX-YJNKXOJESA-N 2 0 277.412 0.642 20 30 CCEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001274578303 848510289 /nfs/dbraw/zinc/51/02/89/848510289.db2.gz HEINEBAIIVVXDT-RGDDUWESSA-N 2 0 295.427 0.793 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001275210562 848668042 /nfs/dbraw/zinc/66/80/42/848668042.db2.gz ZOXYOPFCNCUCRH-WXRRBKDZSA-N 2 0 251.374 0.751 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001275232928 848675114 /nfs/dbraw/zinc/67/51/14/848675114.db2.gz HHHLLVKSCAVJFW-BLYZHGLHSA-N 2 0 265.401 0.997 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114854823 849440660 /nfs/dbraw/zinc/44/06/60/849440660.db2.gz RFZSZSAHMKJGOC-RFQIPJPRSA-N 2 0 263.385 0.396 20 30 CCEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028874 850128304 /nfs/dbraw/zinc/12/83/04/850128304.db2.gz RYGXZOJKARTQNQ-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001044858471 851170881 /nfs/dbraw/zinc/17/08/81/851170881.db2.gz SHNYPUVHLHALBP-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324194 851716129 /nfs/dbraw/zinc/71/61/29/851716129.db2.gz LICVXTAWTPHLOY-IHRRRGAJSA-N 2 0 281.400 0.160 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001047638529 851843759 /nfs/dbraw/zinc/84/37/59/851843759.db2.gz XBZNQJUCKJCGEQ-KKUMJFAQSA-N 2 0 295.427 0.550 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829534 852076253 /nfs/dbraw/zinc/07/62/53/852076253.db2.gz RXROJCGPSRILGO-APIJFGDWSA-N 2 0 277.412 0.903 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049025248 852140594 /nfs/dbraw/zinc/14/05/94/852140594.db2.gz QBXLUVLZNANZHX-GASCZTMLSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052865616 852663944 /nfs/dbraw/zinc/66/39/44/852663944.db2.gz QDLZARCKAVQXCO-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052932267 852671862 /nfs/dbraw/zinc/67/18/62/852671862.db2.gz KPXXLLZZHVQGQL-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386717 853744615 /nfs/dbraw/zinc/74/46/15/853744615.db2.gz QZWOMLHBPDJFIL-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814458 854470762 /nfs/dbraw/zinc/47/07/62/854470762.db2.gz FQWSJTHIWBSPAF-HNNXBMFYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073427878 854556714 /nfs/dbraw/zinc/55/67/14/854556714.db2.gz LELJCXSQHFNHGG-CYBMUJFWSA-N 2 0 261.369 0.106 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073428130 854558812 /nfs/dbraw/zinc/55/88/12/854558812.db2.gz XKRJGMHNMKHMNT-CYBMUJFWSA-N 2 0 263.385 0.658 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555080 854591763 /nfs/dbraw/zinc/59/17/63/854591763.db2.gz VALGAJJACDPYCQ-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001073661697 854627412 /nfs/dbraw/zinc/62/74/12/854627412.db2.gz BUAHTHVOMGGSAY-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048170 855085296 /nfs/dbraw/zinc/08/52/96/855085296.db2.gz GYBDKSNMKFKQGV-QWHCGFSZSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076134 855095112 /nfs/dbraw/zinc/09/51/12/855095112.db2.gz GYXIDYUHBAUELD-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126824 855103724 /nfs/dbraw/zinc/10/37/24/855103724.db2.gz NMGKQIRLZXQBBG-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637232 855201236 /nfs/dbraw/zinc/20/12/36/855201236.db2.gz IMOAUBPAJBHNJQ-UHFFFAOYSA-N 2 0 283.416 0.625 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678730 855207752 /nfs/dbraw/zinc/20/77/52/855207752.db2.gz VKIUBTCVMMTGEY-NFOMZHRRSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984969 855251764 /nfs/dbraw/zinc/25/17/64/855251764.db2.gz WHVWCLQCZFXIJG-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001101009705 855254198 /nfs/dbraw/zinc/25/41/98/855254198.db2.gz ZPEJFCXVGCUNFI-NRXISQOPSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102085976 855415578 /nfs/dbraw/zinc/41/55/78/855415578.db2.gz KOQIVJBOWLNAEF-MGPQQGTHSA-N 2 0 265.401 0.644 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708286 855692651 /nfs/dbraw/zinc/69/26/51/855692651.db2.gz YMKZQSSPITUFHY-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C[C@H](CC[NH2+]C[C@@H](O)CN(C)CCC#N)[NH+](C)C ZINC001120488869 857090246 /nfs/dbraw/zinc/09/02/46/857090246.db2.gz KZHCBNILNMJZKC-CHWSQXEVSA-N 2 0 256.394 0.123 20 30 CCEDRP COCC#CCN1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001323333459 912274178 /nfs/dbraw/zinc/27/41/78/912274178.db2.gz CRGNARHAVBLCTR-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP COCC#CCN1CC[C@H]1CNC(=O)Cn1ccnc1C ZINC001323358051 912292484 /nfs/dbraw/zinc/29/24/84/912292484.db2.gz RAJSOIXASTZDJK-AWEZNQCLSA-N 2 0 290.367 0.032 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001323613736 912446748 /nfs/dbraw/zinc/44/67/48/912446748.db2.gz KCTZNWCYJYXKHQ-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001323860725 912548090 /nfs/dbraw/zinc/54/80/90/912548090.db2.gz UQDBTUZABSKFSJ-MRXNPFEDSA-N 2 0 277.412 0.886 20 30 CCEDRP CC1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]CC1 ZINC001325825914 913595946 /nfs/dbraw/zinc/59/59/46/913595946.db2.gz LCZVKEIKXUXDHX-NSHDSACASA-N 2 0 252.362 0.513 20 30 CCEDRP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001325850114 913606792 /nfs/dbraw/zinc/60/67/92/913606792.db2.gz VAKGELIBVOIJIH-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001481000321 892045723 /nfs/dbraw/zinc/04/57/23/892045723.db2.gz VIAUVPJVOMIPQX-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481071207 892130363 /nfs/dbraw/zinc/13/03/63/892130363.db2.gz OMCAATWIZSUMLL-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001341752610 892592101 /nfs/dbraw/zinc/59/21/01/892592101.db2.gz NKLFCIFJDURIMG-GXTWGEPZSA-N 2 0 251.374 0.882 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001481816075 893181592 /nfs/dbraw/zinc/18/15/92/893181592.db2.gz JELWVEYGECRPEU-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481812015 893186222 /nfs/dbraw/zinc/18/62/22/893186222.db2.gz FNCJBEXLAIEMMY-CABCVRRESA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482170058 893455048 /nfs/dbraw/zinc/45/50/48/893455048.db2.gz YPNRLROPFIALOB-CHWSQXEVSA-N 2 0 251.374 0.303 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001482445477 893994884 /nfs/dbraw/zinc/99/48/84/893994884.db2.gz BZQFXFSAZUIVQM-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C ZINC001482555056 894235115 /nfs/dbraw/zinc/23/51/15/894235115.db2.gz OWAXNKCGEJHPTE-ZDUSSCGKSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001483174350 895059236 /nfs/dbraw/zinc/05/92/36/895059236.db2.gz COEHKSXFUGFDNH-GFCCVEGCSA-N 2 0 279.388 0.339 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001483176020 895059837 /nfs/dbraw/zinc/05/98/37/895059837.db2.gz YYHYZAYIHOKKBH-CYBMUJFWSA-N 2 0 291.399 0.176 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082251 895681697 /nfs/dbraw/zinc/68/16/97/895681697.db2.gz NFZXVEQPYCCLEI-CYBMUJFWSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484070919 896182970 /nfs/dbraw/zinc/18/29/70/896182970.db2.gz IYOXVBOPLYADTO-ZBFHGGJFSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484385357 896370044 /nfs/dbraw/zinc/37/00/44/896370044.db2.gz YNOJPTQMMMKLKM-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001484490417 896436448 /nfs/dbraw/zinc/43/64/48/896436448.db2.gz BUZBPTZJXNQFOA-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484898797 896657897 /nfs/dbraw/zinc/65/78/97/896657897.db2.gz ZZGWXJFVSUGANR-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485110601 896789192 /nfs/dbraw/zinc/78/91/92/896789192.db2.gz OVXINRNLXSNQAP-UHFFFAOYSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485372318 897012549 /nfs/dbraw/zinc/01/25/49/897012549.db2.gz SZVAFCOFLKMLNY-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001486293100 898762420 /nfs/dbraw/zinc/76/24/20/898762420.db2.gz SLEXEFINDKCDNV-AWEZNQCLSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390123 900012268 /nfs/dbraw/zinc/01/22/68/900012268.db2.gz NHHRDIOFEBPRPG-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP COCC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327187666 914407463 /nfs/dbraw/zinc/40/74/63/914407463.db2.gz GHQXBCJVCZTHHT-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP C=CCNC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327089721 902028831 /nfs/dbraw/zinc/02/88/31/902028831.db2.gz MLHDISSFXFNIOG-UHFFFAOYSA-N 2 0 251.374 0.754 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C2CCC2)CCOCC1 ZINC001327638402 914670913 /nfs/dbraw/zinc/67/09/13/914670913.db2.gz IKXQGLDWLBOOTN-UHFFFAOYSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491125803 903387295 /nfs/dbraw/zinc/38/72/95/903387295.db2.gz OVMMETCUNFJWRK-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC001331689731 904007735 /nfs/dbraw/zinc/00/77/35/904007735.db2.gz OEFHWNINIJATOU-JQWIXIFHSA-N 2 0 252.362 0.512 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001316599401 904112038 /nfs/dbraw/zinc/11/20/38/904112038.db2.gz SQCWPMJDBAKTMM-ZIAGYGMSSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001281634694 904314492 /nfs/dbraw/zinc/31/44/92/904314492.db2.gz NRCPRJQPBOBXFY-AWEZNQCLSA-N 2 0 295.427 0.293 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001282220671 904435046 /nfs/dbraw/zinc/43/50/46/904435046.db2.gz UJWRNHYVGKRDSI-QWHCGFSZSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC)CC1 ZINC001282242526 904441455 /nfs/dbraw/zinc/44/14/55/904441455.db2.gz RTPAIBZVAQAJDZ-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283501355 904881396 /nfs/dbraw/zinc/88/13/96/904881396.db2.gz DENXUHTWJZERRV-HOTGVXAUSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283715647 904972633 /nfs/dbraw/zinc/97/26/33/904972633.db2.gz VCGUZIWSSHZKET-KBPBESRZSA-N 2 0 283.416 0.577 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001284417169 905279952 /nfs/dbraw/zinc/27/99/52/905279952.db2.gz MKPUCCIFRJAXIC-GJZGRUSLSA-N 2 0 295.427 0.291 20 30 CCEDRP CCC[NH2+]CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333643382 906072876 /nfs/dbraw/zinc/07/28/76/906072876.db2.gz PINNXLAIFXTQIA-LXVYMNJGSA-N 2 0 264.373 0.242 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491642075 907477218 /nfs/dbraw/zinc/47/72/18/907477218.db2.gz XUQMKNCJIDZGAT-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491764086 907555177 /nfs/dbraw/zinc/55/51/77/907555177.db2.gz GVMRTBOCWMOALS-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001317244754 907996884 /nfs/dbraw/zinc/99/68/84/907996884.db2.gz MEMLTULSDPODNF-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316996274 908904594 /nfs/dbraw/zinc/90/45/94/908904594.db2.gz WRUGMLCLJBDCLQ-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317124649 908998354 /nfs/dbraw/zinc/99/83/54/908998354.db2.gz SMWKANLXCWHSLG-XQQFMLRXSA-N 2 0 253.390 0.995 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001317243963 909084078 /nfs/dbraw/zinc/08/40/78/909084078.db2.gz DHQOSSAFTWKKDX-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317302780 909121913 /nfs/dbraw/zinc/12/19/13/909121913.db2.gz AVTRQNSESQOZIN-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317405937 909178590 /nfs/dbraw/zinc/17/85/90/909178590.db2.gz NHWJBETWFBIZRY-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317654895 909449051 /nfs/dbraw/zinc/44/90/51/909449051.db2.gz LJTYDSWCUWNDMI-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318429508 909752770 /nfs/dbraw/zinc/75/27/70/909752770.db2.gz RWYQMQXAKVLTOJ-KGLIPLIRSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318607991 909837295 /nfs/dbraw/zinc/83/72/95/909837295.db2.gz SMXZPXGUKMJWTP-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC ZINC001319196130 910030660 /nfs/dbraw/zinc/03/06/60/910030660.db2.gz LEIRVCUOHKSJLK-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001319204416 910036528 /nfs/dbraw/zinc/03/65/28/910036528.db2.gz FAMHGMSMWJCBBF-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001319259932 910060350 /nfs/dbraw/zinc/06/03/50/910060350.db2.gz BTZAEDLLJJEDEI-CYBMUJFWSA-N 2 0 253.390 0.693 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319286696 910070861 /nfs/dbraw/zinc/07/08/61/910070861.db2.gz XZIPNUDGEOKMQI-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001319523222 910187340 /nfs/dbraw/zinc/18/73/40/910187340.db2.gz OYZCSXHRPUECAF-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CN(C)CCO1 ZINC001321010707 911012230 /nfs/dbraw/zinc/01/22/30/911012230.db2.gz AYEPUAFJRQLFRB-GFUIURDCSA-N 2 0 267.373 0.155 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001321756499 911473303 /nfs/dbraw/zinc/47/33/03/911473303.db2.gz MQVPEFKVUUKIDG-CYBMUJFWSA-N 2 0 261.369 0.059 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001330367614 916584420 /nfs/dbraw/zinc/58/44/20/916584420.db2.gz YQMVLXIQJQVQQB-PHZGNYQRSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001330913937 916963827 /nfs/dbraw/zinc/96/38/27/916963827.db2.gz CVROBYOOQRDBRI-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001331614683 917450732 /nfs/dbraw/zinc/45/07/32/917450732.db2.gz ISKLRLSAPDXQGS-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001331944478 917741303 /nfs/dbraw/zinc/74/13/03/917741303.db2.gz QNXTZEJOIPLVRR-OLZOCXBDSA-N 2 0 251.374 0.539 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001403860387 918069645 /nfs/dbraw/zinc/06/96/45/918069645.db2.gz BDSFDJNTLBLNAK-NWDGAFQWSA-N 2 0 291.823 0.488 20 30 CCEDRP C=CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001332923870 918536638 /nfs/dbraw/zinc/53/66/38/918536638.db2.gz YMJHTOOUYWGDRS-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC001340684547 922166998 /nfs/dbraw/zinc/16/69/98/922166998.db2.gz KYSIMOUGFQCDSQ-MJBXVCDLSA-N 2 0 279.384 0.097 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001340937115 922283578 /nfs/dbraw/zinc/28/35/78/922283578.db2.gz VIBHKQDEWRPYIX-UONOGXRCSA-N 2 0 263.385 0.447 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001342238088 922873205 /nfs/dbraw/zinc/87/32/05/922873205.db2.gz LCRNNRUYHXYLAP-STQMWFEESA-N 2 0 269.389 0.507 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCCC[NH+]1CCCCC1 ZINC001343432688 923312530 /nfs/dbraw/zinc/31/25/30/923312530.db2.gz SWWOUOQHQCOBRI-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001346374902 924178420 /nfs/dbraw/zinc/17/84/20/924178420.db2.gz BUVKCUGATBXXOZ-OLZOCXBDSA-N 2 0 263.385 0.588 20 30 CCEDRP C[NH+]1CCC(OCC(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001352741600 925630463 /nfs/dbraw/zinc/63/04/63/925630463.db2.gz WWODQTZCDPQMML-UHFFFAOYSA-N 2 0 294.399 0.201 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001422412688 927268420 /nfs/dbraw/zinc/26/84/20/927268420.db2.gz VCPOBTJIIJMPLR-RYUDHWBXSA-N 2 0 291.823 0.392 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034828 352018334 /nfs/dbraw/zinc/01/83/34/352018334.db2.gz TYCUEUAMPHXPMI-WDEREUQCSA-N 2 0 268.361 0.057 20 30 CCEDRP CN1CCN(C(=O)NCc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000557113822 291022732 /nfs/dbraw/zinc/02/27/32/291022732.db2.gz WMPARAOZQUZTEB-CQSZACIVSA-N 2 0 287.367 0.343 20 30 CCEDRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000592965750 360003819 /nfs/dbraw/zinc/00/38/19/360003819.db2.gz GUNAGSLIBVQHMF-ZDUSSCGKSA-N 2 0 266.389 0.808 20 30 CCEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594435115 360304446 /nfs/dbraw/zinc/30/44/46/360304446.db2.gz ANZCKKQJLMTPAA-NSHDSACASA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594441076 360310010 /nfs/dbraw/zinc/31/00/10/360310010.db2.gz MJWGEAYXASWUJS-JSGCOSHPSA-N 2 0 278.400 0.998 20 30 CCEDRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440577 360310050 /nfs/dbraw/zinc/31/00/50/360310050.db2.gz FUGBOTPKDJFLAC-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000594443705 360311272 /nfs/dbraw/zinc/31/12/72/360311272.db2.gz IDKQZVWOQFJWLP-QWHCGFSZSA-N 2 0 266.389 0.985 20 30 CCEDRP C[C@@H](CCNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000595938902 360715230 /nfs/dbraw/zinc/71/52/30/360715230.db2.gz RAAARNSHUANKTF-NWDGAFQWSA-N 2 0 254.378 0.854 20 30 CCEDRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596637576 360934378 /nfs/dbraw/zinc/93/43/78/360934378.db2.gz VGNYYCKCQGKGNN-UONOGXRCSA-N 2 0 295.431 0.861 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000293956879 388990472 /nfs/dbraw/zinc/99/04/72/388990472.db2.gz KQALLAOTJRCIPA-UHFFFAOYSA-N 2 0 274.368 0.833 20 30 CCEDRP C=CCOCC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000339064642 389124029 /nfs/dbraw/zinc/12/40/29/389124029.db2.gz QSKDFGAEFZOXQP-UHFFFAOYSA-N 2 0 284.400 0.348 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503836 389152785 /nfs/dbraw/zinc/15/27/85/389152785.db2.gz GYBJFDZWVLUBMO-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000342741911 389252038 /nfs/dbraw/zinc/25/20/38/389252038.db2.gz ZHACOKPIAYQBAF-OAHLLOKOSA-N 2 0 297.443 0.967 20 30 CCEDRP CNC(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)=[NH+]C ZINC000264065709 389303957 /nfs/dbraw/zinc/30/39/57/389303957.db2.gz BDGCFGDCHJVLFG-UHFFFAOYSA-N 3 0 290.415 0.389 20 30 CCEDRP Cc1ncc(CNC(=[NH2+])NCCCN2CCOCC2)s1 ZINC000264074672 389304872 /nfs/dbraw/zinc/30/48/72/389304872.db2.gz FHWYMQBSYPKCFI-UHFFFAOYSA-N 2 0 297.428 0.578 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1ccnc1C ZINC000264083178 389305617 /nfs/dbraw/zinc/30/56/17/389305617.db2.gz IDXKEWNGTOJXIV-CYBMUJFWSA-N 2 0 278.404 0.580 20 30 CCEDRP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000267425624 389371405 /nfs/dbraw/zinc/37/14/05/389371405.db2.gz LMVZOVNODXATJX-ZDUSSCGKSA-N 2 0 291.399 0.668 20 30 CCEDRP C[C@@H](O)CC[NH+](C)CC#CC[N@@H+](C)CC[C@@H](C)O ZINC000351440008 389583085 /nfs/dbraw/zinc/58/30/85/389583085.db2.gz ZZQUTJRRFPOEHI-ZIAGYGMSSA-N 2 0 256.390 0.395 20 30 CCEDRP N#C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000442796272 389863327 /nfs/dbraw/zinc/86/33/27/389863327.db2.gz VTCAPWJNZUUELF-RDBSUJKOSA-N 2 0 278.400 0.856 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000491385856 390112814 /nfs/dbraw/zinc/11/28/14/390112814.db2.gz SNHFKGHYDHUNRG-ZIAGYGMSSA-N 2 0 280.416 0.853 20 30 CCEDRP C=CCOCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000645095064 390369858 /nfs/dbraw/zinc/36/98/58/390369858.db2.gz VOKNCPCXBWEWMH-HNNXBMFYSA-N 2 0 267.417 0.901 20 30 CCEDRP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)CN1CC[NH+](C)CC1 ZINC000562994052 390492309 /nfs/dbraw/zinc/49/23/09/390492309.db2.gz UJBSVLPBHIYBFF-HUUCEWRRSA-N 2 0 277.416 0.903 20 30 CCEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000563806166 390493495 /nfs/dbraw/zinc/49/34/95/390493495.db2.gz OOZBIHSFHHKUKL-QWHCGFSZSA-N 2 0 256.394 0.123 20 30 CCEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563806167 390493569 /nfs/dbraw/zinc/49/35/69/390493569.db2.gz OOZBIHSFHHKUKL-STQMWFEESA-N 2 0 256.394 0.123 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000519774118 390541970 /nfs/dbraw/zinc/54/19/70/390541970.db2.gz YKJPFYNIFVQGAU-QWHCGFSZSA-N 2 0 264.373 0.704 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000262373639 131215930 /nfs/dbraw/zinc/21/59/30/131215930.db2.gz KIWMCAVPRIZWHO-SOUVJXGZSA-N 2 0 295.427 0.524 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345415 412034039 /nfs/dbraw/zinc/03/40/39/412034039.db2.gz BHYAFSVFLPRRHF-BFHYXJOUSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662765147 414772410 /nfs/dbraw/zinc/77/24/10/414772410.db2.gz RJRVLBOMVRGDFB-OUCADQQQSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000662771486 414779285 /nfs/dbraw/zinc/77/92/85/414779285.db2.gz XUTLPUASKPYWFB-YRGRVCCFSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662779508 414787298 /nfs/dbraw/zinc/78/72/98/414787298.db2.gz KRANYDFGCVGJGN-GDBMZVCRSA-N 2 0 292.427 0.191 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC[NH2+]1 ZINC000662784166 414791275 /nfs/dbraw/zinc/79/12/75/414791275.db2.gz RCCMKLRVIOIYBJ-TZMCWYRMSA-N 2 0 267.373 0.179 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@H]21 ZINC000332715380 260020764 /nfs/dbraw/zinc/02/07/64/260020764.db2.gz QAIAWWOHPOQVPT-MGPQQGTHSA-N 2 0 278.400 0.950 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cnn(C)c1 ZINC000264076306 262865128 /nfs/dbraw/zinc/86/51/28/262865128.db2.gz FSQVNHHZPJDYHY-ZDUSSCGKSA-N 2 0 278.404 0.351 20 30 CCEDRP COC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](COC)C2)C1 ZINC000341890570 263363671 /nfs/dbraw/zinc/36/36/71/263363671.db2.gz ALSZREPJQQMIQO-HOTGVXAUSA-N 2 0 280.412 0.926 20 30 CCEDRP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000519535897 265459594 /nfs/dbraw/zinc/45/95/94/265459594.db2.gz AHOSNIZCYZSYSH-LBPRGKRZSA-N 2 0 254.378 0.808 20 30 CCEDRP C=CCNC(=[NH2+])NCCCCCCNC(=[NH2+])NCC=C ZINC000274166876 328208733 /nfs/dbraw/zinc/20/87/33/328208733.db2.gz GOCMPXMVYGNWGP-UHFFFAOYSA-N 2 0 280.420 0.727 20 30 CCEDRP CN(C)C(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000178585852 329200726 /nfs/dbraw/zinc/20/07/26/329200726.db2.gz SONUOAGVYVBSLV-UHFFFAOYSA-N 2 0 281.448 0.813 20 30 CCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262267253 330003330 /nfs/dbraw/zinc/00/33/30/330003330.db2.gz HPVHNXHAZGUFMA-LLVKDONJSA-N 2 0 297.353 0.937 20 30 CCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(C)CC1 ZINC000262787591 330031574 /nfs/dbraw/zinc/03/15/74/330031574.db2.gz NBTORXOOIHFOFD-HNNXBMFYSA-N 2 0 293.459 0.684 20 30 CCEDRP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424128319 330259690 /nfs/dbraw/zinc/25/96/90/330259690.db2.gz FFIUAYLGTOSNQW-NEPJUHHUSA-N 2 0 254.378 0.854 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424129638 330260142 /nfs/dbraw/zinc/26/01/42/330260142.db2.gz GJJPAGMKYKCLHH-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP C[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424158987 330305723 /nfs/dbraw/zinc/30/57/23/330305723.db2.gz RTSYHXBHWSJTAU-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424170984 330311128 /nfs/dbraw/zinc/31/11/28/330311128.db2.gz LTWBJHWAZXHABI-LBPRGKRZSA-N 2 0 254.378 0.808 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000424172817 330312813 /nfs/dbraw/zinc/31/28/13/330312813.db2.gz DOJSNJMNPDKDDO-QJPTWQEYSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000490595019 332094312 /nfs/dbraw/zinc/09/43/12/332094312.db2.gz YKCPUAKTNFGIDY-CQSZACIVSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000491525559 332230361 /nfs/dbraw/zinc/23/03/61/332230361.db2.gz SUVUIKMGVOEEJR-ZDUSSCGKSA-N 2 0 268.405 0.758 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000491652801 332265533 /nfs/dbraw/zinc/26/55/33/332265533.db2.gz AZVPMXOGQRPZEO-QWHCGFSZSA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000491652799 332265568 /nfs/dbraw/zinc/26/55/68/332265568.db2.gz AZVPMXOGQRPZEO-OLZOCXBDSA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000491753604 332329083 /nfs/dbraw/zinc/32/90/83/332329083.db2.gz ZTAVBOFFZZAVHV-UHFFFAOYSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000491820140 332370012 /nfs/dbraw/zinc/37/00/12/332370012.db2.gz QAWHGFNJAGOUMW-ZDUSSCGKSA-N 2 0 280.416 0.723 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529305006 333482421 /nfs/dbraw/zinc/48/24/21/333482421.db2.gz HFCSKBRDYYPGQD-AWEZNQCLSA-N 2 0 296.415 0.315 20 30 CCEDRP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000577517383 335363743 /nfs/dbraw/zinc/36/37/43/335363743.db2.gz RGIZQDGPRHVBPC-WCVJEAGWSA-N 2 0 280.412 0.110 20 30 CCEDRP C#CCOCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000851883762 612984183 /nfs/dbraw/zinc/98/41/83/612984183.db2.gz XMJZXYUAPPYBDH-JKSUJKDBSA-N 2 0 279.428 0.594 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000895056438 613075367 /nfs/dbraw/zinc/07/53/67/613075367.db2.gz KWEFLWPVHSLULW-AWEZNQCLSA-N 2 0 280.416 0.583 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969197250 612960055 /nfs/dbraw/zinc/96/00/55/612960055.db2.gz CWDGWNHFGZCMAI-CYBMUJFWSA-N 2 0 261.369 0.439 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969677801 612996345 /nfs/dbraw/zinc/99/63/45/612996345.db2.gz QKWOQIYIZHDRIX-XJKSGUPXSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900797543 612999118 /nfs/dbraw/zinc/99/91/18/612999118.db2.gz GMVXLIRZLBLNSJ-GDBMZVCRSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868582244 613077950 /nfs/dbraw/zinc/07/79/50/613077950.db2.gz XFUXFNAZISPJIF-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000847026610 613106042 /nfs/dbraw/zinc/10/60/42/613106042.db2.gz FZUAYFYDHZVLLE-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC)C2)CC1 ZINC000939811483 613129753 /nfs/dbraw/zinc/12/97/53/613129753.db2.gz TWXXFKYPCKSWMP-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000882484463 613130620 /nfs/dbraw/zinc/13/06/20/613130620.db2.gz DCTQWQMZDQRUFA-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000928654553 613132898 /nfs/dbraw/zinc/13/28/98/613132898.db2.gz HFAOMTYLKCBTBG-CQSZACIVSA-N 2 0 295.452 0.638 20 30 CCEDRP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144367 613148805 /nfs/dbraw/zinc/14/88/05/613148805.db2.gz KMVXCOIAJLTIQW-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940621194 613230072 /nfs/dbraw/zinc/23/00/72/613230072.db2.gz PILJFKMVCWNETL-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948052251 613258324 /nfs/dbraw/zinc/25/83/24/613258324.db2.gz CLNDLNQRRCJENU-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998965 613280481 /nfs/dbraw/zinc/28/04/81/613280481.db2.gz XACWGEGGTCBJME-CQSZACIVSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977584797 613299285 /nfs/dbraw/zinc/29/92/85/613299285.db2.gz FVCYQWMJATUFIE-STQMWFEESA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962181189 613313648 /nfs/dbraw/zinc/31/36/48/613313648.db2.gz LIPXASHKRLQNDW-ZSHCYNCHSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852106575 613325041 /nfs/dbraw/zinc/32/50/41/613325041.db2.gz BNYHHJDCYGTLBM-OAHLLOKOSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852762590 613325350 /nfs/dbraw/zinc/32/53/50/613325350.db2.gz PNHJMPIWRAGRQY-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000849325559 613326781 /nfs/dbraw/zinc/32/67/81/613326781.db2.gz LRZHYFKRSOXENA-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000901229483 613363570 /nfs/dbraw/zinc/36/35/70/613363570.db2.gz SSMVCBVEKAJNKX-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000910413474 613363860 /nfs/dbraw/zinc/36/38/60/613363860.db2.gz LCMRWADWGZBHLH-ZDUSSCGKSA-N 2 0 297.399 0.058 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000901226771 613363868 /nfs/dbraw/zinc/36/38/68/613363868.db2.gz DYYSRXNOZTUELU-UHFFFAOYSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000901146426 613364054 /nfs/dbraw/zinc/36/40/54/613364054.db2.gz JEWGBJXVTLLZMN-CQSZACIVSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000900844946 613364267 /nfs/dbraw/zinc/36/42/67/613364267.db2.gz RTHJETWROHOZSD-HNNXBMFYSA-N 2 0 295.427 0.675 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000813855237 613366385 /nfs/dbraw/zinc/36/63/85/613366385.db2.gz MXVMVGGDLUOENB-UHFFFAOYSA-N 2 0 270.421 0.104 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000876502485 613387321 /nfs/dbraw/zinc/38/73/21/613387321.db2.gz AXOVYIHKENUUEL-GHMZBOCLSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000876780780 613388006 /nfs/dbraw/zinc/38/80/06/613388006.db2.gz BGTHCWRVDPODRQ-VXGBXAGGSA-N 2 0 288.823 0.208 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863470 613390202 /nfs/dbraw/zinc/39/02/02/613390202.db2.gz GILHXWISURZEQO-BQBZGAKWSA-N 2 0 255.696 0.555 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962303468 613562787 /nfs/dbraw/zinc/56/27/87/613562787.db2.gz FHDBQUQENKFFOL-NYTXWWLZSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923374804 613585961 /nfs/dbraw/zinc/58/59/61/613585961.db2.gz CNVNPTGZCLPBIO-UONOGXRCSA-N 2 0 279.388 0.701 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971205352 613631058 /nfs/dbraw/zinc/63/10/58/613631058.db2.gz USZXBVHZHQEWIR-STQMWFEESA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)[C@H]1CCS(=O)(=O)C1 ZINC000903432673 613651388 /nfs/dbraw/zinc/65/13/88/613651388.db2.gz JYEGMPRYTOUYGE-XQQFMLRXSA-N 2 0 272.414 0.789 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969675881 613668649 /nfs/dbraw/zinc/66/86/49/613668649.db2.gz BSGAFQXOGKOILV-SWLSCSKDSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900598515 613675900 /nfs/dbraw/zinc/67/59/00/613675900.db2.gz HOZHNUQGLBOMCA-UKRRQHHQSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)C1=O ZINC000931439757 613778948 /nfs/dbraw/zinc/77/89/48/613778948.db2.gz ZHDWHKILJJIVOZ-RDBSUJKOSA-N 2 0 263.385 0.657 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055225 613868439 /nfs/dbraw/zinc/86/84/39/613868439.db2.gz WBDUVKQXDZAHBC-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP CCNC(NCCCN(C)CC[NH+](C)C)=[NH+]CC ZINC000849028355 614421012 /nfs/dbraw/zinc/42/10/12/614421012.db2.gz RYAQSIFDLASLIQ-UHFFFAOYSA-N 2 0 257.426 0.445 20 30 CCEDRP CCC(CC)(C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852797590 614522697 /nfs/dbraw/zinc/52/26/97/614522697.db2.gz XBYAIEHZARYMRA-UHFFFAOYSA-N 2 0 251.374 0.623 20 30 CCEDRP CC[NH+](CC)C[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862037 615003580 /nfs/dbraw/zinc/00/35/80/615003580.db2.gz QQZFHXWJWBOIAP-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP CC[NH+]1CCC(N(C)C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852856547 615099493 /nfs/dbraw/zinc/09/94/93/615099493.db2.gz ACEGDJBMJJTTHK-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CC#N)CC2)CC1 ZINC000930752001 615099810 /nfs/dbraw/zinc/09/98/10/615099810.db2.gz QRQSEHZNLBUWMT-MRXNPFEDSA-N 2 0 294.443 0.753 20 30 CCEDRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903826873 616068233 /nfs/dbraw/zinc/06/82/33/616068233.db2.gz MEZJAWAHHBRTLR-UHFFFAOYSA-N 2 0 292.408 0.873 20 30 CCEDRP CN1CC[NH+](CCCCNC2=[NH+]CCCN2C)CC1 ZINC000848989312 616240594 /nfs/dbraw/zinc/24/05/94/616240594.db2.gz NGEKMIKJLKXMMX-UHFFFAOYSA-N 2 0 267.421 0.295 20 30 CCEDRP COCCC1(NC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000877268537 616846526 /nfs/dbraw/zinc/84/65/26/616846526.db2.gz JMMQQIPMKFCFFC-UHFFFAOYSA-N 2 0 293.411 0.264 20 30 CCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCN2C)c1C#N ZINC000895597584 616948820 /nfs/dbraw/zinc/94/88/20/616948820.db2.gz JGNKKWKCFIPRQP-LBPRGKRZSA-N 2 0 290.371 0.466 20 30 CCEDRP C[NH2+]C[C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876978707 616992095 /nfs/dbraw/zinc/99/20/95/616992095.db2.gz TYPJDDKCMFKNFQ-HZMBPMFUSA-N 2 0 272.352 0.469 20 30 CCEDRP C[NH2+][C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867966976 617053816 /nfs/dbraw/zinc/05/38/16/617053816.db2.gz WMNQBASOFBQZJM-ZFWWWQNUSA-N 2 0 284.363 0.565 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099973 625333267 /nfs/dbraw/zinc/33/32/67/625333267.db2.gz PILIRHDZTHEJMC-ARKGTOAJSA-N 2 0 287.407 0.683 20 30 CCEDRP C=CC[C@@H]1CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934459316 622709170 /nfs/dbraw/zinc/70/91/70/622709170.db2.gz ICJOHXRQHOMLRJ-CYBMUJFWSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001020585194 624542788 /nfs/dbraw/zinc/54/27/88/624542788.db2.gz LLYWOVHPYDYPPE-AVGNSLFASA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591148 624545257 /nfs/dbraw/zinc/54/52/57/624545257.db2.gz GAIAJCWICXAIQP-FDYHWXHSSA-N 2 0 251.374 0.607 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001021088732 624656923 /nfs/dbraw/zinc/65/69/23/624656923.db2.gz YGECCJVWRIKOIN-AAVRWANBSA-N 2 0 263.385 0.729 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022090342 624872031 /nfs/dbraw/zinc/87/20/31/624872031.db2.gz WRWAAMVLTZLUCJ-HZSPNIEDSA-N 2 0 261.369 0.198 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121218 624876106 /nfs/dbraw/zinc/87/61/06/624876106.db2.gz AMVCMXUCLYYNIJ-CRWXNKLISA-N 2 0 279.384 0.272 20 30 CCEDRP CC[C@H](C)NC(=O)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303892400 632493267 /nfs/dbraw/zinc/49/32/67/632493267.db2.gz REBOARGNQJKSRQ-QWHCGFSZSA-N 2 0 297.447 0.680 20 30 CCEDRP CCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303990918 632503812 /nfs/dbraw/zinc/50/38/12/632503812.db2.gz ZAXXKBUPWOTCJZ-GFCCVEGCSA-N 2 0 283.420 0.243 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@@H]1C ZINC000987577414 632881362 /nfs/dbraw/zinc/88/13/62/632881362.db2.gz UMASTVOIJHBCOY-ZBFHGGJFSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cncc2C)C1 ZINC000989185337 633165883 /nfs/dbraw/zinc/16/58/83/633165883.db2.gz DODKUDLSOUMGER-YPMHNXCESA-N 2 0 260.341 0.404 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cncc2C)C1 ZINC000989185330 633165953 /nfs/dbraw/zinc/16/59/53/633165953.db2.gz DODKUDLSOUMGER-WCQYABFASA-N 2 0 260.341 0.404 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989523402 633324485 /nfs/dbraw/zinc/32/44/85/633324485.db2.gz SHHCYRXOICOFOX-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000989828659 633364504 /nfs/dbraw/zinc/36/45/04/633364504.db2.gz HCJBXKLECTXXBF-GDBMZVCRSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995954261 638806138 /nfs/dbraw/zinc/80/61/38/638806138.db2.gz XGHCEQALVZKXJM-OLZOCXBDSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981200 638806519 /nfs/dbraw/zinc/80/65/19/638806519.db2.gz NHERHBAHPHBPBF-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996619362 638824921 /nfs/dbraw/zinc/82/49/21/638824921.db2.gz ZTYGMMRWILDDLX-QWHCGFSZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998557153 638927512 /nfs/dbraw/zinc/92/75/12/638927512.db2.gz QLJKXDWDONIIFS-BPCQOVAHSA-N 2 0 251.374 0.846 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000920354 639195240 /nfs/dbraw/zinc/19/52/40/639195240.db2.gz UKBWQIGNZGLBOW-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001003627048 639580011 /nfs/dbraw/zinc/58/00/11/639580011.db2.gz BPWYEUFXEYMHPM-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479688 640158411 /nfs/dbraw/zinc/15/84/11/640158411.db2.gz RTCHUJUMQIJJAL-UKRRQHHQSA-N 2 0 289.379 0.969 20 30 CCEDRP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479689 640159080 /nfs/dbraw/zinc/15/90/80/640159080.db2.gz RTCHUJUMQIJJAL-ZFWWWQNUSA-N 2 0 289.379 0.969 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015700835 650611696 /nfs/dbraw/zinc/61/16/96/650611696.db2.gz BQAGTQPSNWRXQY-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705445 650611983 /nfs/dbraw/zinc/61/19/83/650611983.db2.gz LJVWFDRTGLADSJ-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015797231 650631199 /nfs/dbraw/zinc/63/11/99/650631199.db2.gz ZZEXXYFAOOXLSR-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015994585 650671323 /nfs/dbraw/zinc/67/13/23/650671323.db2.gz JPTOPIYUMAHBMJ-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@H]([NH3+])c1ccccc1 ZINC000841850136 642843107 /nfs/dbraw/zinc/84/31/07/642843107.db2.gz ZCINVSDZDLCRQR-DEQVHRJGSA-N 2 0 272.352 0.550 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848429186 643637226 /nfs/dbraw/zinc/63/72/26/643637226.db2.gz MJTMBCNAWFREHQ-OCCSQVGLSA-N 2 0 264.373 0.752 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000852827430 644013894 /nfs/dbraw/zinc/01/38/94/644013894.db2.gz IYQKYEPCDVUZBM-IIAWOOMASA-N 2 0 298.390 0.907 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000852859701 644027463 /nfs/dbraw/zinc/02/74/63/644027463.db2.gz XXNXNRGWPAHNOQ-HUUCEWRRSA-N 2 0 275.396 0.732 20 30 CCEDRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C#CC1CC[NH2+]CC1 ZINC000852872743 644035524 /nfs/dbraw/zinc/03/55/24/644035524.db2.gz LKEHQYQWHMQSPQ-GOOCMWNKSA-N 2 0 275.396 0.860 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000867927377 645683749 /nfs/dbraw/zinc/68/37/49/645683749.db2.gz FOJLSRSSLWMYME-HIFRSBDPSA-N 2 0 284.363 0.695 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020162005 651045244 /nfs/dbraw/zinc/04/52/44/651045244.db2.gz WRWAAMVLTZLUCJ-IHRRRGAJSA-N 2 0 261.369 0.198 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC(C[NH3+])CC1 ZINC000876508617 646615160 /nfs/dbraw/zinc/61/51/60/646615160.db2.gz SBXNUEAMOIFMOW-MRXNPFEDSA-N 2 0 298.390 0.942 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[C@@H]1[NH3+] ZINC000876532349 646621549 /nfs/dbraw/zinc/62/15/49/646621549.db2.gz FDLNKMSOZRNBJD-RLCCDNCMSA-N 2 0 298.390 0.941 20 30 CCEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877109647 646735174 /nfs/dbraw/zinc/73/51/74/646735174.db2.gz OLCDOBCRYAVCEK-COLVAYQJSA-N 2 0 284.363 0.612 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[C@H]1CCC[NH2+]1)C2 ZINC000884300403 647702157 /nfs/dbraw/zinc/70/21/57/647702157.db2.gz ZCQVTUVJUFYAKP-MYMJJRTCSA-N 2 0 290.411 0.774 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CCC[C@]3([NH3+])C1)C2 ZINC000884426943 647734855 /nfs/dbraw/zinc/73/48/55/647734855.db2.gz ZFMBXSFIFRZYCI-LKJKDFCMSA-N 2 0 288.395 0.466 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@H]([NH3+])C1)C2 ZINC000884449907 647741864 /nfs/dbraw/zinc/74/18/64/647741864.db2.gz RVKQDFDNHFQRON-IQXANGCESA-N 2 0 290.411 0.856 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091846476 649714752 /nfs/dbraw/zinc/71/47/52/649714752.db2.gz IQKNRKNXOIEQLK-UHFFFAOYSA-N 2 0 268.361 0.200 20 30 CCEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCOCC1)[NH+](C)C ZINC000303788900 649824925 /nfs/dbraw/zinc/82/49/25/649824925.db2.gz UVZRWAXBMBPKEQ-GFCCVEGCSA-N 2 0 256.394 0.610 20 30 CCEDRP C[C@@H]1C[NH+](CCC[NH+]=C(N(C)C)N(C)C)C[C@@H](C)O1 ZINC000303790531 649824964 /nfs/dbraw/zinc/82/49/64/649824964.db2.gz WHIUROYCTBTKRM-CHWSQXEVSA-N 2 0 270.421 0.965 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000303865697 649825913 /nfs/dbraw/zinc/82/59/13/649825913.db2.gz BTJHZUYUHPRXJK-CQSZACIVSA-N 3 0 281.448 0.717 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303881135 649826082 /nfs/dbraw/zinc/82/60/82/649826082.db2.gz HLRWCZFEUPHFKI-NEPJUHHUSA-N 2 0 256.394 0.800 20 30 CCEDRP CN1CC[NH+](CCCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303878771 649826292 /nfs/dbraw/zinc/82/62/92/649826292.db2.gz GCTYBRFSYOXTLW-UHFFFAOYSA-N 2 0 299.488 0.378 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+](C)C1CC1 ZINC000303979485 649827586 /nfs/dbraw/zinc/82/75/86/649827586.db2.gz NGSIDLFFJVKVTF-OCCSQVGLSA-N 3 0 281.448 0.858 20 30 CCEDRP CNC(NCC1([NH+]2CCCC2)CCOCC1)=[NH+]C ZINC000304008568 649828830 /nfs/dbraw/zinc/82/88/30/649828830.db2.gz UHUTZCPXKNTQFI-UHFFFAOYSA-N 2 0 254.378 0.426 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)C[NH+]=C(N(C)C)N(C)C ZINC000304836215 649839606 /nfs/dbraw/zinc/83/96/06/649839606.db2.gz NOBBDTZXLCIAIE-GFCCVEGCSA-N 2 0 258.410 0.822 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H](C)COC ZINC000304853764 649840268 /nfs/dbraw/zinc/84/02/68/649840268.db2.gz ZSUBPIDTERJXLL-NEPJUHHUSA-N 2 0 274.409 0.282 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266527184 790869982 /nfs/dbraw/zinc/86/99/82/790869982.db2.gz IZECPLXTENBHEM-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC)[NH+](C)C ZINC001277719210 805983758 /nfs/dbraw/zinc/98/37/58/805983758.db2.gz ZLIRKHXQBYACPK-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266703952 791157563 /nfs/dbraw/zinc/15/75/63/791157563.db2.gz SSPVFDIGAZXHFT-HZSPNIEDSA-N 2 0 281.400 0.520 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267022208 791455748 /nfs/dbraw/zinc/45/57/48/791455748.db2.gz DDEOSCZHTOTHMQ-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246033848 807128768 /nfs/dbraw/zinc/12/87/68/807128768.db2.gz NRZNDSRRGYXGOT-HZPDHXFCSA-N 2 0 280.412 0.851 20 30 CCEDRP CC#CC[NH+]1CCC(C)(NC(=O)Cc2cncn2C)CC1 ZINC001278088096 806655444 /nfs/dbraw/zinc/65/54/44/806655444.db2.gz NJCQZVSTWWNQHG-UHFFFAOYSA-N 2 0 288.395 0.957 20 30 CCEDRP C[NH+](C)CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001120562116 798865985 /nfs/dbraw/zinc/86/59/85/798865985.db2.gz WMJAWKPDDHIUQB-ZDUSSCGKSA-N 2 0 269.389 0.599 20 30 CCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001278154676 806725549 /nfs/dbraw/zinc/72/55/49/806725549.db2.gz HIFPXGWAAXSFLS-ZDUSSCGKSA-N 2 0 283.416 0.054 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001122319879 799196728 /nfs/dbraw/zinc/19/67/28/799196728.db2.gz KWSKIYYRRNXCHK-OBJOEFQTSA-N 2 0 264.373 0.737 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152457331 800522508 /nfs/dbraw/zinc/52/25/08/800522508.db2.gz BYZQBYLTCDQKCG-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471157 800527246 /nfs/dbraw/zinc/52/72/46/800527246.db2.gz ITMSTIFBNVCNEP-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380706 801628553 /nfs/dbraw/zinc/62/85/53/801628553.db2.gz UUZCPEXISKAJNL-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP N#Cc1c(NC[C@H]2COCC[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001159035968 801744834 /nfs/dbraw/zinc/74/48/34/801744834.db2.gz KFJDDWYAVVVSHC-LBPRGKRZSA-N 2 0 287.367 0.389 20 30 CCEDRP C=CC(NCc1noc2c1C[NH2+]CC2)=[NH+]COC ZINC001163129896 802488533 /nfs/dbraw/zinc/48/85/33/802488533.db2.gz POYHDYXKAYHHMZ-UHFFFAOYSA-N 2 0 250.302 0.598 20 30 CCEDRP C=CC(NCC1(N(C)C)CC[NH+](C)CC1)=[NH+]COC ZINC001164211125 802688537 /nfs/dbraw/zinc/68/85/37/802688537.db2.gz MHMZCKNQFICGTG-UHFFFAOYSA-N 2 0 268.405 0.790 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164449235 802743227 /nfs/dbraw/zinc/74/32/27/802743227.db2.gz FKBKVDMHHRXXOE-AWEZNQCLSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574375 802768615 /nfs/dbraw/zinc/76/86/15/802768615.db2.gz JHOPRQDNUZDEHH-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357700 803025595 /nfs/dbraw/zinc/02/55/95/803025595.db2.gz HBAUHARNUYRJCV-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469416 803143033 /nfs/dbraw/zinc/14/30/33/803143033.db2.gz CPIKYJFNHSZYCX-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205526174 803145712 /nfs/dbraw/zinc/14/57/12/803145712.db2.gz HXYZUURUUOTLQP-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001269401825 813359535 /nfs/dbraw/zinc/35/95/35/813359535.db2.gz GMQXIASQBJTOBL-KBPBESRZSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206952621 803316970 /nfs/dbraw/zinc/31/69/70/803316970.db2.gz XCCAOAYCRVRANZ-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547272 803419047 /nfs/dbraw/zinc/41/90/47/803419047.db2.gz QXHXWPXACIOXPT-BNOWGMLFSA-N 2 0 263.385 0.396 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208062760 803484571 /nfs/dbraw/zinc/48/45/71/803484571.db2.gz FZVUEOTUALNNKO-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323462 803594807 /nfs/dbraw/zinc/59/48/07/803594807.db2.gz IGONFKOHKOSFGI-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP N#Cc1cc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)ccn1 ZINC001210262808 803644110 /nfs/dbraw/zinc/64/41/10/803644110.db2.gz QOFZVPGDOMEIOO-UHFFFAOYSA-N 2 0 280.335 0.923 20 30 CCEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210477656 803651070 /nfs/dbraw/zinc/65/10/70/803651070.db2.gz ZRSQSTLCWQZPKR-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218658909 804068971 /nfs/dbraw/zinc/06/89/71/804068971.db2.gz LVJPNTCOCQBJIW-JTQLQIEISA-N 2 0 279.369 0.219 20 30 CCEDRP COc1cccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1C#N ZINC001218978524 804172902 /nfs/dbraw/zinc/17/29/02/804172902.db2.gz RBGUHNJRPHDIAK-JTQLQIEISA-N 2 0 294.380 0.525 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220885053 804690081 /nfs/dbraw/zinc/69/00/81/804690081.db2.gz WXVSYRDGLSLAEQ-KBPBESRZSA-N 2 0 272.352 0.296 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1(C#N)CCOCC1 ZINC001220966697 804710624 /nfs/dbraw/zinc/71/06/24/804710624.db2.gz CAMRRTTVDUSIIA-LBPRGKRZSA-N 2 0 282.388 0.235 20 30 CCEDRP N#CC1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCOCC1 ZINC001220966962 804710751 /nfs/dbraw/zinc/71/07/51/804710751.db2.gz MVRWZJLFDOCFIZ-NSHDSACASA-N 2 0 268.361 0.022 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH3+])(c2ccc(F)cc2)CC1 ZINC001220982890 804712733 /nfs/dbraw/zinc/71/27/33/804712733.db2.gz QKCVBUAMPACCEL-HNNXBMFYSA-N 2 0 289.354 0.953 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001221088998 804728382 /nfs/dbraw/zinc/72/83/82/804728382.db2.gz CYIBAWVSBYHRFF-CQSZACIVSA-N 2 0 299.378 0.444 20 30 CCEDRP Cn1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1C#N ZINC001222085827 804862889 /nfs/dbraw/zinc/86/28/89/804862889.db2.gz MMVXSPSNIKQENH-UHFFFAOYSA-N 2 0 273.384 0.424 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001223487164 804974721 /nfs/dbraw/zinc/97/47/21/804974721.db2.gz GNGUWWAWBLCKII-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@@H](NC(=O)NCC#CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC001223655139 804984911 /nfs/dbraw/zinc/98/49/11/804984911.db2.gz NKCIWOGACNKDMI-CYBMUJFWSA-N 2 0 282.432 0.827 20 30 CCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277148372 805277340 /nfs/dbraw/zinc/27/73/40/805277340.db2.gz OMOVUWCSNCOIOI-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227986227 805405786 /nfs/dbraw/zinc/40/57/86/805405786.db2.gz AYMXIMPXTOYCEY-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229683371 805548382 /nfs/dbraw/zinc/54/83/82/805548382.db2.gz SZYRARKTHWVYSC-ZIAGYGMSSA-N 2 0 283.416 0.768 20 30 CCEDRP C#Cc1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246260774 807200259 /nfs/dbraw/zinc/20/02/59/807200259.db2.gz ALGXMCZTZHPMSK-OAHLLOKOSA-N 2 0 255.365 0.852 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252494997 807893346 /nfs/dbraw/zinc/89/33/46/807893346.db2.gz JAACXPJOVRYRMY-JYJNAYRXSA-N 2 0 298.427 0.783 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252603216 807918604 /nfs/dbraw/zinc/91/86/04/807918604.db2.gz PVXVJFYINFHVHT-HNNXBMFYSA-N 2 0 269.433 0.883 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252604595 807919018 /nfs/dbraw/zinc/91/90/18/807919018.db2.gz VLQCMSVCGZCUBB-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)COC)CC1 ZINC001252819237 807967968 /nfs/dbraw/zinc/96/79/68/807967968.db2.gz GLDLJXMPSVPOKZ-INIZCTEOSA-N 2 0 297.443 0.285 20 30 CCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001278786440 808245036 /nfs/dbraw/zinc/24/50/36/808245036.db2.gz CQPZKYUFWAIWRQ-GDBMZVCRSA-N 2 0 293.411 0.047 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278869666 808395429 /nfs/dbraw/zinc/39/54/29/808395429.db2.gz WHMJMJVXSDXZID-AWEZNQCLSA-N 2 0 297.443 0.798 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC001263130550 809455368 /nfs/dbraw/zinc/45/53/68/809455368.db2.gz XODUGYCVMRDXLW-UHFFFAOYSA-N 2 0 275.396 0.479 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263168837 809467992 /nfs/dbraw/zinc/46/79/92/809467992.db2.gz XXJSDJJRKUVSFM-STQMWFEESA-N 2 0 269.389 0.243 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001263872500 809594783 /nfs/dbraw/zinc/59/47/83/809594783.db2.gz MWCDUHFNEULWRK-MGPQQGTHSA-N 2 0 265.401 0.690 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001263879124 809597086 /nfs/dbraw/zinc/59/70/86/809597086.db2.gz NJRXRNBFGAKOCC-IHRRRGAJSA-N 2 0 265.401 0.999 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001265378267 809767926 /nfs/dbraw/zinc/76/79/26/809767926.db2.gz IWWNKCUSXSZTHF-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267314603 811141782 /nfs/dbraw/zinc/14/17/82/811141782.db2.gz RRTUDHMNMNDDOD-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001267817959 811812705 /nfs/dbraw/zinc/81/27/05/811812705.db2.gz VTWRCVBQVISBRK-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001267847088 811831587 /nfs/dbraw/zinc/83/15/87/811831587.db2.gz SDZLNTXAXKFMQE-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267991097 811930955 /nfs/dbraw/zinc/93/09/55/811930955.db2.gz NJUAZMLFHFTJHU-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP CN(C)/C=N/c1ccc(-n2nnc(CC[NH3+])n2)cc1C#N ZINC001167792068 812078353 /nfs/dbraw/zinc/07/83/53/812078353.db2.gz SWYGKEGRASJZJH-CXUHLZMHSA-N 2 0 284.327 0.257 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545371 812832221 /nfs/dbraw/zinc/83/22/21/812832221.db2.gz PBEYPECOTFFGJN-ZFWWWQNUSA-N 2 0 275.396 0.400 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC=C)CC1 ZINC001268630748 812954420 /nfs/dbraw/zinc/95/44/20/812954420.db2.gz PJXVGMZZXFALHR-AATRIKPKSA-N 2 0 275.396 0.780 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001268645986 812974686 /nfs/dbraw/zinc/97/46/86/812974686.db2.gz LQZFPIYKZUPZSR-CHWSQXEVSA-N 2 0 251.374 0.587 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268755994 813067899 /nfs/dbraw/zinc/06/78/99/813067899.db2.gz GQLJNFIQFNMDMY-UONOGXRCSA-N 2 0 283.416 0.577 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001028638264 813087426 /nfs/dbraw/zinc/08/74/26/813087426.db2.gz FEZINKALTUJWJM-KBPBESRZSA-N 2 0 286.379 0.517 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001028641125 813096776 /nfs/dbraw/zinc/09/67/76/813096776.db2.gz BSRYIYROGTXKHM-ZIAGYGMSSA-N 2 0 286.379 0.517 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001270437096 813764134 /nfs/dbraw/zinc/76/41/34/813764134.db2.gz WCJMAZITYYMBSU-UONOGXRCSA-N 2 0 283.416 0.318 20 30 CCEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCN2CCOCC2)C1 ZINC001270640446 813867517 /nfs/dbraw/zinc/86/75/17/813867517.db2.gz BGBXOFXMMYECTK-MRXNPFEDSA-N 2 0 295.427 0.865 20 30 CCEDRP C#CCN1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001271108864 814155285 /nfs/dbraw/zinc/15/52/85/814155285.db2.gz FQTKTJQRUKXHFY-CYBMUJFWSA-N 2 0 299.365 0.789 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001271953339 814648764 /nfs/dbraw/zinc/64/87/64/814648764.db2.gz BHJBDKKSTGTQIU-KBPBESRZSA-N 2 0 263.385 0.943 20 30 CCEDRP C=C(C)CN1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030345177 815986748 /nfs/dbraw/zinc/98/67/48/815986748.db2.gz ADRFXTIFKKAEKJ-KGLIPLIRSA-N 2 0 279.384 0.226 20 30 CCEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001272384233 816379988 /nfs/dbraw/zinc/37/99/88/816379988.db2.gz NUBSMQFFTZFRJG-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127262649 816534845 /nfs/dbraw/zinc/53/48/45/816534845.db2.gz PGBAUFBCJKFUHQ-KGLIPLIRSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984142 817570734 /nfs/dbraw/zinc/57/07/34/817570734.db2.gz ZWPPIHVEFQISRG-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C(C)C)C2)CC1 ZINC001032207291 817701486 /nfs/dbraw/zinc/70/14/86/817701486.db2.gz LGNBFLITDFSVMQ-UHFFFAOYSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCN1CC[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031017 818487295 /nfs/dbraw/zinc/48/72/95/818487295.db2.gz SPAJBPSXIFEZAB-MRXNPFEDSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033419062 818764287 /nfs/dbraw/zinc/76/42/87/818764287.db2.gz GNWRMPYIWVVNMY-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034385715 819188823 /nfs/dbraw/zinc/18/88/23/819188823.db2.gz NIGFVEKUUOEOOH-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792992 819331749 /nfs/dbraw/zinc/33/17/49/819331749.db2.gz PYDVGMCENBZQLE-IHRRRGAJSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035839523 819633928 /nfs/dbraw/zinc/63/39/28/819633928.db2.gz UBDKALDGORCXFD-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036052566 819678981 /nfs/dbraw/zinc/67/89/81/819678981.db2.gz AYPLOCOXCFYIPH-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001036160673 819700693 /nfs/dbraw/zinc/70/06/93/819700693.db2.gz LZHKMIPBTRJMNG-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133552 820905002 /nfs/dbraw/zinc/90/50/02/820905002.db2.gz GSFZDGSEOWCELG-RRFJBIMHSA-N 2 0 293.411 0.309 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515719 820992213 /nfs/dbraw/zinc/99/22/13/820992213.db2.gz VTJRDPXMFOSMEU-BPLDGKMQSA-N 2 0 277.412 0.951 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC)C[C@H]32)CC1 ZINC001084851130 821409522 /nfs/dbraw/zinc/40/95/22/821409522.db2.gz OCTKIXBQCHARGF-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086371148 822229057 /nfs/dbraw/zinc/22/90/57/822229057.db2.gz SLTLZUUUWLXBPE-AAVRWANBSA-N 2 0 263.385 0.444 20 30 CCEDRP CCCC#CC(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001184273828 844185107 /nfs/dbraw/zinc/18/51/07/844185107.db2.gz AEUXVNGHCKKQMA-UHFFFAOYSA-N 2 0 252.362 0.854 20 30 CCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132276 836727794 /nfs/dbraw/zinc/72/77/94/836727794.db2.gz RFYJXFLTWAIAPP-GJZGRUSLSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980573 836753651 /nfs/dbraw/zinc/75/36/51/836753651.db2.gz QYXHMBUCXFFGPY-ILXRZTDVSA-N 2 0 295.427 0.862 20 30 CCEDRP C=CCCC[NH+]1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001113658455 837189485 /nfs/dbraw/zinc/18/94/85/837189485.db2.gz WGFPVORKWFNVHG-OAHLLOKOSA-N 2 0 295.427 0.818 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273487898 844259245 /nfs/dbraw/zinc/25/92/45/844259245.db2.gz UUEBSRHIJUSVEC-MRXNPFEDSA-N 2 0 295.427 0.818 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786579 838227096 /nfs/dbraw/zinc/22/70/96/838227096.db2.gz XOJSGYRHLAKIFE-CYBMUJFWSA-N 2 0 251.374 0.753 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132852592 838509521 /nfs/dbraw/zinc/50/95/21/838509521.db2.gz RZCMTXLAJJETJP-CYBMUJFWSA-N 2 0 269.389 0.378 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245526 838582907 /nfs/dbraw/zinc/58/29/07/838582907.db2.gz GNONZSDOQZIURB-CABCVRRESA-N 2 0 297.443 0.825 20 30 CCEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135979183 839486608 /nfs/dbraw/zinc/48/66/08/839486608.db2.gz DAHXSYSEJNNUPR-LSDHHAIUSA-N 2 0 297.443 0.851 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001185749819 844459409 /nfs/dbraw/zinc/45/94/09/844459409.db2.gz NGQBYXUYAONXDW-MGPQQGTHSA-N 2 0 286.379 0.737 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246310584 839781859 /nfs/dbraw/zinc/78/18/59/839781859.db2.gz HDDPCWRWWKWCLH-MCIONIFRSA-N 2 0 283.416 0.943 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090764285 839784945 /nfs/dbraw/zinc/78/49/45/839784945.db2.gz QVKMUVFMBBYZSD-GXTWGEPZSA-N 2 0 292.383 0.388 20 30 CCEDRP N#C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160642732 840079609 /nfs/dbraw/zinc/07/96/09/840079609.db2.gz LVIXAPULHUMIKD-ZYHUDNBSSA-N 2 0 250.346 0.075 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593022 840328314 /nfs/dbraw/zinc/32/83/14/840328314.db2.gz MLMXSOGYUHAULO-LSDHHAIUSA-N 2 0 297.443 0.849 20 30 CCEDRP O=C(NCC[NH2+]CC#Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001147971253 840725238 /nfs/dbraw/zinc/72/52/38/840725238.db2.gz XYHFIXUGHWQAQV-UHFFFAOYSA-N 2 0 297.402 0.840 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051208 840735670 /nfs/dbraw/zinc/73/56/70/840735670.db2.gz CBZSOJYWKXHIFM-UHFFFAOYSA-N 2 0 260.341 0.490 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092010939 840984367 /nfs/dbraw/zinc/98/43/67/840984367.db2.gz OWWNIBFRCDLNLG-INMHGKMJSA-N 2 0 289.423 0.742 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337833 841792880 /nfs/dbraw/zinc/79/28/80/841792880.db2.gz WJCCBFGHCLKKQF-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360072 842830841 /nfs/dbraw/zinc/83/08/41/842830841.db2.gz KIDSZKLVFNPECV-KKUMJFAQSA-N 2 0 295.427 0.862 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138297 843103988 /nfs/dbraw/zinc/10/39/88/843103988.db2.gz AMVUYCXFEFGORY-MJBXVCDLSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226656 843119551 /nfs/dbraw/zinc/11/95/51/843119551.db2.gz FMIQCPBOYWAJRJ-KBPBESRZSA-N 2 0 265.401 0.929 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187114905 844646855 /nfs/dbraw/zinc/64/68/55/844646855.db2.gz BCHRXNHJRJBNIC-GFCCVEGCSA-N 2 0 289.807 0.508 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189479233 845140142 /nfs/dbraw/zinc/14/01/42/845140142.db2.gz ZPCUHOQAANZOLN-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192581008 845878096 /nfs/dbraw/zinc/87/80/96/845878096.db2.gz QILOXAMLFUPPIW-VXGBXAGGSA-N 2 0 278.356 0.080 20 30 CCEDRP CC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280775 846041420 /nfs/dbraw/zinc/04/14/20/846041420.db2.gz XVAKAPZCBPDRTP-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196131955 846688525 /nfs/dbraw/zinc/68/85/25/846688525.db2.gz REWKTVQXLUNMFU-QLFBSQMISA-N 2 0 295.427 0.291 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196115806 846691588 /nfs/dbraw/zinc/69/15/88/846691588.db2.gz RYALFTONQQIZKD-QLFBSQMISA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001196168333 846699676 /nfs/dbraw/zinc/69/96/76/846699676.db2.gz IUXDHXJPFHDRCO-RRFJBIMHSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817169 846984728 /nfs/dbraw/zinc/98/47/28/846984728.db2.gz INGFLJWUNUKDLH-UHFFFAOYSA-N 2 0 269.389 0.285 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201053536 847719759 /nfs/dbraw/zinc/71/97/59/847719759.db2.gz RYYWJTLYDCQFKF-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201411619 847776594 /nfs/dbraw/zinc/77/65/94/847776594.db2.gz SLHRSXBYSACXQN-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202165036 847861251 /nfs/dbraw/zinc/86/12/51/847861251.db2.gz PCRSWUCBHLWJLK-CQSZACIVSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238793 847878022 /nfs/dbraw/zinc/87/80/22/847878022.db2.gz MELZVZQCDBUMKX-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252614865 848039302 /nfs/dbraw/zinc/03/93/02/848039302.db2.gz QKWFUQNAFGEGSV-CQSZACIVSA-N 2 0 269.433 0.929 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276002392 848887539 /nfs/dbraw/zinc/88/75/39/848887539.db2.gz KXNCBLBQCGJTIC-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC001042173121 850587200 /nfs/dbraw/zinc/58/72/00/850587200.db2.gz LVURTAMNOWHJMJ-GJZGRUSLSA-N 2 0 286.379 0.829 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216071 850598195 /nfs/dbraw/zinc/59/81/95/850598195.db2.gz LGQCABVGCHOFAL-HOCLYGCPSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198252 851416589 /nfs/dbraw/zinc/41/65/89/851416589.db2.gz UCXOEQHOFBCRMW-ZFWWWQNUSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCN1CC[C@](C)(NC(=O)c2cc(CN(C)C)on2)C1 ZINC001046431650 851499013 /nfs/dbraw/zinc/49/90/13/851499013.db2.gz GLFGKHIKXMIHLN-HNNXBMFYSA-N 2 0 290.367 0.564 20 30 CCEDRP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048587665 851977534 /nfs/dbraw/zinc/97/75/34/851977534.db2.gz QQGONIKMSSMNAQ-JONQDZQNSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048739858 852041598 /nfs/dbraw/zinc/04/15/98/852041598.db2.gz PEGSTWXDOZWWEP-ZNMIVQPWSA-N 2 0 293.411 0.283 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048859991 852086056 /nfs/dbraw/zinc/08/60/56/852086056.db2.gz BWKFUFJUUXJHSO-GASCZTMLSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCCN1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001053532281 852754519 /nfs/dbraw/zinc/75/45/19/852754519.db2.gz IMGKYDWAVIOBIV-UHFFFAOYSA-N 2 0 293.411 0.572 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC)C2)CC1 ZINC001051943449 853660861 /nfs/dbraw/zinc/66/08/61/853660861.db2.gz MGMLIHPFJYZJET-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072551092 854414822 /nfs/dbraw/zinc/41/48/22/854414822.db2.gz ALGGRTHZVVLAJC-ZDUSSCGKSA-N 2 0 261.369 0.248 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941244 854498019 /nfs/dbraw/zinc/49/80/19/854498019.db2.gz HKLIVXPUQNWGCF-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073428131 854558387 /nfs/dbraw/zinc/55/83/87/854558387.db2.gz XKRJGMHNMKHMNT-ZDUSSCGKSA-N 2 0 263.385 0.658 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223670 854853095 /nfs/dbraw/zinc/85/30/95/854853095.db2.gz WCTXUUHSYRLBRJ-KFWWJZLASA-N 2 0 287.407 0.827 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2 ZINC001098491044 854869925 /nfs/dbraw/zinc/86/99/25/854869925.db2.gz UVPOQEPCDNKKMS-UPJWGTAASA-N 2 0 258.325 0.238 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001099029795 854908065 /nfs/dbraw/zinc/90/80/65/854908065.db2.gz MSLYKGPGUPKDTI-ZOBUZTSGSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081613 855095452 /nfs/dbraw/zinc/09/54/52/855095452.db2.gz VNDLIOMGIAQNJR-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100085797 855097481 /nfs/dbraw/zinc/09/74/81/855097481.db2.gz QYDSNULDNVORBJ-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100873187 855234963 /nfs/dbraw/zinc/23/49/63/855234963.db2.gz XRLHWLASFLLGCW-WLYUNCDWSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001100986744 855252424 /nfs/dbraw/zinc/25/24/24/855252424.db2.gz ZYZYOMUGXWMNCI-WLYUNCDWSA-N 2 0 293.411 0.072 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001101008669 855253277 /nfs/dbraw/zinc/25/32/77/855253277.db2.gz PFVRUEICJDSHSX-NRXISQOPSA-N 2 0 293.411 0.215 20 30 CCEDRP C[NH+](C)CCn1cc(NC(=O)[C@H]([NH3+])CCCC#N)cn1 ZINC001118272475 856236669 /nfs/dbraw/zinc/23/66/69/856236669.db2.gz ZNOHLFHUYLTOHD-GFCCVEGCSA-N 2 0 278.360 0.404 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001324081742 912660065 /nfs/dbraw/zinc/66/00/65/912660065.db2.gz PWALODGTQKKFFF-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001324221293 912727171 /nfs/dbraw/zinc/72/71/71/912727171.db2.gz MAPMOTGUKJPPIL-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001324260366 912745715 /nfs/dbraw/zinc/74/57/15/912745715.db2.gz IAXJHDDWFIYPPB-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001324992321 913133758 /nfs/dbraw/zinc/13/37/58/913133758.db2.gz LVYQBDIJDXWFDC-AWEZNQCLSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325307372 913333353 /nfs/dbraw/zinc/33/33/53/913333353.db2.gz DEPQURAVEKVUCC-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001283583236 891908515 /nfs/dbraw/zinc/90/85/15/891908515.db2.gz SNKQVAAAIXFAEH-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481123419 892198543 /nfs/dbraw/zinc/19/85/43/892198543.db2.gz IEIBEFFDHBFOMV-CABCVRRESA-N 2 0 293.411 0.026 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001341752646 892591396 /nfs/dbraw/zinc/59/13/96/892591396.db2.gz NKLFCIFJDURIMG-OCCSQVGLSA-N 2 0 251.374 0.882 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282186113 892956348 /nfs/dbraw/zinc/95/63/48/892956348.db2.gz SCXYSQBAXKPWKV-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001481825179 893192367 /nfs/dbraw/zinc/19/23/67/893192367.db2.gz IRIDZDLGTBQVRK-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001326149562 913775807 /nfs/dbraw/zinc/77/58/07/913775807.db2.gz YHXUSBKVWAERLF-OAHLLOKOSA-N 2 0 295.427 0.151 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282765 893764921 /nfs/dbraw/zinc/76/49/21/893764921.db2.gz FLSHPAJMXWHYCU-RBSFLKMASA-N 2 0 297.443 0.966 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482571499 894256117 /nfs/dbraw/zinc/25/61/17/894256117.db2.gz SOHMGOZDGDSWDS-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482788260 894602685 /nfs/dbraw/zinc/60/26/85/894602685.db2.gz YFEAGAKRSKJDQS-UONOGXRCSA-N 2 0 295.427 0.504 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482847346 894647190 /nfs/dbraw/zinc/64/71/90/894647190.db2.gz RFBJYGIGBIAGNC-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482892089 894674373 /nfs/dbraw/zinc/67/43/73/894674373.db2.gz WDKJHJJRJWLTTC-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172396 895059420 /nfs/dbraw/zinc/05/94/20/895059420.db2.gz OTBPOSDTZUYXKK-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483240091 895368835 /nfs/dbraw/zinc/36/88/35/895368835.db2.gz MZENNPJDBMLHNI-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284596 895412308 /nfs/dbraw/zinc/41/23/08/895412308.db2.gz OWQSKQROIDZIST-ZDUSSCGKSA-N 2 0 281.400 0.379 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483587864 895665363 /nfs/dbraw/zinc/66/53/63/895665363.db2.gz OGCRTUHIYQCWDW-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001484236844 896271284 /nfs/dbraw/zinc/27/12/84/896271284.db2.gz SHSMHLYGGPJGED-GDBMZVCRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411981 896380830 /nfs/dbraw/zinc/38/08/30/896380830.db2.gz GHGSVUCHWWOELK-OKILXGFUSA-N 2 0 265.401 0.904 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001485382461 897008549 /nfs/dbraw/zinc/00/85/49/897008549.db2.gz FLDMFQAIDRMMGT-KBPBESRZSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001032479066 897627362 /nfs/dbraw/zinc/62/73/62/897627362.db2.gz CQIFVXSAKVYYAR-KKUMJFAQSA-N 2 0 275.396 0.779 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CN(CC)CCO1 ZINC001485838642 898363580 /nfs/dbraw/zinc/36/35/80/898363580.db2.gz VRIJRBKOSBZQQU-LSDHHAIUSA-N 2 0 293.411 0.167 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390683 900011992 /nfs/dbraw/zinc/01/19/92/900011992.db2.gz SYRVHAOTZNVGBQ-CABCVRRESA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001490729449 900707488 /nfs/dbraw/zinc/70/74/88/900707488.db2.gz TWIDPDVEOLFBBD-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490776682 900723123 /nfs/dbraw/zinc/72/31/23/900723123.db2.gz KCBQQPLYDAYIHA-HNNXBMFYSA-N 2 0 277.412 0.886 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001327063636 902024094 /nfs/dbraw/zinc/02/40/94/902024094.db2.gz HYTFGZJZNNPWMC-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001490958208 903268555 /nfs/dbraw/zinc/26/85/55/903268555.db2.gz RJIHYPKWMGIQLF-HDJSIYSDSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491512705 903631681 /nfs/dbraw/zinc/63/16/81/903631681.db2.gz HIZKRFLEBNQPSY-CYBMUJFWSA-N 2 0 263.385 0.732 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001329592222 903812728 /nfs/dbraw/zinc/81/27/28/903812728.db2.gz MCKGQMWKXXJHEM-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001281800395 904349263 /nfs/dbraw/zinc/34/92/63/904349263.db2.gz XFQFZMMMEPXRIX-AWEZNQCLSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282738170 904533198 /nfs/dbraw/zinc/53/31/98/904533198.db2.gz PJEPUGXCZYZURE-GXTWGEPZSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927675 904606615 /nfs/dbraw/zinc/60/66/15/904606615.db2.gz HALVZVXZUHQQLE-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283822960 905037848 /nfs/dbraw/zinc/03/78/48/905037848.db2.gz DVXUHCBPXWWIGX-QWHCGFSZSA-N 2 0 271.405 0.215 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491812162 907615434 /nfs/dbraw/zinc/61/54/34/907615434.db2.gz JQZTYOURXUTCMZ-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001341642186 908645209 /nfs/dbraw/zinc/64/52/09/908645209.db2.gz HPIMGHBXIBWQGG-UPJWGTAASA-N 2 0 264.373 0.512 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC001313438563 908667911 /nfs/dbraw/zinc/66/79/11/908667911.db2.gz NRQYZTDSUBXNJW-UHFFFAOYSA-N 2 0 278.400 0.289 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001317067853 908958040 /nfs/dbraw/zinc/95/80/40/908958040.db2.gz GOLQZKQIGYSDAC-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001317222278 909038994 /nfs/dbraw/zinc/03/89/94/909038994.db2.gz CBBKHIIGGBNNLN-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318276666 909684997 /nfs/dbraw/zinc/68/49/97/909684997.db2.gz PYYWSIOMLVUBRQ-LSDHHAIUSA-N 2 0 297.443 0.966 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319533421 910193029 /nfs/dbraw/zinc/19/30/29/910193029.db2.gz FUEBZBHUAYFWAN-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001320109617 910467593 /nfs/dbraw/zinc/46/75/93/910467593.db2.gz DHFMDBPHFUZGOK-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001321417411 911287158 /nfs/dbraw/zinc/28/71/58/911287158.db2.gz RGSBDESMIUBPSL-SNAWJCMRSA-N 2 0 263.385 0.758 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001392379235 911768816 /nfs/dbraw/zinc/76/88/16/911768816.db2.gz ZFKJWGHVQJCXIB-LBPRGKRZSA-N 2 0 289.807 0.290 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001328206234 915028588 /nfs/dbraw/zinc/02/85/88/915028588.db2.gz UAIQBXUYTYKOMH-UHFFFAOYSA-N 2 0 283.416 0.457 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001328950836 915536660 /nfs/dbraw/zinc/53/66/60/915536660.db2.gz YTQIPARBUCMSRM-DQPZFDDXSA-N 2 0 289.423 0.980 20 30 CCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001330686710 916794264 /nfs/dbraw/zinc/79/42/64/916794264.db2.gz QHBQNRBIRJQIKE-HDJSIYSDSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331437610 917334290 /nfs/dbraw/zinc/33/42/90/917334290.db2.gz BQGFNPYBIVODBS-GXTWGEPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331560406 917416130 /nfs/dbraw/zinc/41/61/30/917416130.db2.gz KQVBFPWKARRNDK-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C12CCC2 ZINC001332419991 918141531 /nfs/dbraw/zinc/14/15/31/918141531.db2.gz IBXMUZCCEGRDIC-WLLWQZAASA-N 2 0 290.367 0.372 20 30 CCEDRP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001332631239 918332767 /nfs/dbraw/zinc/33/27/67/918332767.db2.gz GAKXYFLAUBZDJW-RBSFLKMASA-N 2 0 297.443 0.654 20 30 CCEDRP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001332633728 918333758 /nfs/dbraw/zinc/33/37/58/918333758.db2.gz SRJQODIRRQSFLW-QLFBSQMISA-N 2 0 297.443 0.654 20 30 CCEDRP C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CN(C)CCOC)C1 ZINC001332839303 918472175 /nfs/dbraw/zinc/47/21/75/918472175.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 0 272.389 0.202 20 30 CCEDRP CC1(NC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]CC1 ZINC001332928567 918538348 /nfs/dbraw/zinc/53/83/48/918538348.db2.gz KMWUYJFTGZPUTD-NSHDSACASA-N 2 0 252.362 0.656 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333292089 918781178 /nfs/dbraw/zinc/78/11/78/918781178.db2.gz LUKGCNHSTKIGQI-UKRRQHHQSA-N 2 0 278.400 1.000 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001333370320 918842264 /nfs/dbraw/zinc/84/22/64/918842264.db2.gz HTRNHTUKHDFNEI-BBBLOLIVSA-N 2 0 292.305 0.603 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]([NH3+])C1)C2 ZINC001333641835 919065063 /nfs/dbraw/zinc/06/50/63/919065063.db2.gz DDCFCXOXIVDPNG-MRFPXMQZSA-N 2 0 262.357 0.075 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001340810132 922226439 /nfs/dbraw/zinc/22/64/39/922226439.db2.gz VSTOMROLDRRYBW-CQSZACIVSA-N 2 0 283.416 0.899 20 30 CCEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341577932 922562394 /nfs/dbraw/zinc/56/23/94/922562394.db2.gz GLVQHUDTTKISQN-KBPBESRZSA-N 2 0 285.432 0.857 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC001341675311 922620381 /nfs/dbraw/zinc/62/03/81/922620381.db2.gz QUTXSLXOONWITP-VXGBXAGGSA-N 2 0 283.372 0.034 20 30 CCEDRP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001342112472 922810169 /nfs/dbraw/zinc/81/01/69/922810169.db2.gz RIEJJHOYNNAVKQ-WDEREUQCSA-N 2 0 252.362 0.512 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343110796 923204774 /nfs/dbraw/zinc/20/47/74/923204774.db2.gz VZNXCMUFPQPCGG-OBJOEFQTSA-N 2 0 264.373 0.656 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC001349151761 924893136 /nfs/dbraw/zinc/89/31/36/924893136.db2.gz BFZACKTWBJTDAK-AWEZNQCLSA-N 2 0 278.400 0.998 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001357428471 926529433 /nfs/dbraw/zinc/52/94/33/926529433.db2.gz NOZVUYXPDJTQQN-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480550485 926947864 /nfs/dbraw/zinc/94/78/64/926947864.db2.gz ZMUMJYHEAXMGDG-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001426054465 928740039 /nfs/dbraw/zinc/74/00/39/928740039.db2.gz OUPVWXJOCWIHFP-LBPRGKRZSA-N 2 0 291.823 0.488 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C#N)C[C@H]1C[NH+](C)C ZINC001363147808 928920460 /nfs/dbraw/zinc/92/04/60/928920460.db2.gz GETNKOAGMVDDFH-AAVRWANBSA-N 2 0 278.400 0.344 20 30 CCEDRP C=CCCOCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000305435147 649851196 /nfs/dbraw/zinc/85/11/96/649851196.db2.gz HRECKCBQNABUMQ-CYBMUJFWSA-N 2 0 268.405 0.968 20 30 CCEDRP Cc1ccc(C#N)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000556947853 291018009 /nfs/dbraw/zinc/01/80/09/291018009.db2.gz XFMRXPZKIWRVJP-CYBMUJFWSA-N 2 0 287.367 0.973 20 30 CCEDRP CCC[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000353996589 356328168 /nfs/dbraw/zinc/32/81/68/356328168.db2.gz OUEHMFHMUHXQHR-UHFFFAOYSA-N 2 0 262.361 0.614 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C[NH3+] ZINC000594428008 360302395 /nfs/dbraw/zinc/30/23/95/360302395.db2.gz YWTFHCAJKABMMV-AGIUHOORSA-N 2 0 266.389 0.983 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000594440611 360310192 /nfs/dbraw/zinc/31/01/92/360310192.db2.gz GZUSSVGSBYNXQE-ZDUSSCGKSA-N 2 0 266.389 1.000 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594441230 360310460 /nfs/dbraw/zinc/31/04/60/360310460.db2.gz PKYSVDSPPIDWEK-CHWSQXEVSA-N 2 0 266.389 0.854 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000594443703 360311366 /nfs/dbraw/zinc/31/13/66/360311366.db2.gz IDKQZVWOQFJWLP-CHWSQXEVSA-N 2 0 266.389 0.985 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445911 360312611 /nfs/dbraw/zinc/31/26/11/360312611.db2.gz NJAOKURLLKZLCN-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCCC1 ZINC000594469573 360320960 /nfs/dbraw/zinc/32/09/60/360320960.db2.gz ZHAULMVKHDEMSW-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595944564 360721942 /nfs/dbraw/zinc/72/19/42/360721942.db2.gz NPDXJYIMMUMRSL-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C=CCCn1cc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000655941137 412708467 /nfs/dbraw/zinc/70/84/67/412708467.db2.gz MVZWFVIHQMNKCJ-OAHLLOKOSA-N 2 0 290.415 0.334 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719157 361496040 /nfs/dbraw/zinc/49/60/40/361496040.db2.gz HXIKQKVPDKLUGH-UONOGXRCSA-N 2 0 282.432 0.513 20 30 CCEDRP CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000246317845 389227401 /nfs/dbraw/zinc/22/74/01/389227401.db2.gz FECXHQYRJWTBQK-KBPBESRZSA-N 2 0 280.416 0.878 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000362080927 389229010 /nfs/dbraw/zinc/22/90/10/389229010.db2.gz UKQZKNANSJRRGY-HNNXBMFYSA-N 2 0 292.427 0.143 20 30 CCEDRP C[NH+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346825831 389338974 /nfs/dbraw/zinc/33/89/74/389338974.db2.gz CWFSOZDGYCVSNL-UHFFFAOYSA-N 2 0 278.400 0.822 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](C)C(C)C ZINC000491616496 390115233 /nfs/dbraw/zinc/11/52/33/390115233.db2.gz BAUAZJBNCITYMZ-UHFFFAOYSA-N 2 0 268.405 0.581 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564845532 390497099 /nfs/dbraw/zinc/49/70/99/390497099.db2.gz UHIAMNQKRXWXIU-ZFWWWQNUSA-N 2 0 280.416 0.267 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564845531 390497546 /nfs/dbraw/zinc/49/75/46/390497546.db2.gz UHIAMNQKRXWXIU-UKRRQHHQSA-N 2 0 280.416 0.267 20 30 CCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000515054568 390471975 /nfs/dbraw/zinc/47/19/75/390471975.db2.gz CKPVIZUUCYKVNE-AWEZNQCLSA-N 2 0 282.432 0.514 20 30 CCEDRP C=C[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662165837 414694714 /nfs/dbraw/zinc/69/47/14/414694714.db2.gz QYVOZFJVDZDONY-GFCCVEGCSA-N 2 0 269.389 0.112 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000662770081 414777388 /nfs/dbraw/zinc/77/73/88/414777388.db2.gz NYLWCFAWZBTQSR-TZMCWYRMSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000662402603 414714780 /nfs/dbraw/zinc/71/47/80/414714780.db2.gz LLWUJVFLRSIOJU-JSGCOSHPSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662780568 414787570 /nfs/dbraw/zinc/78/75/70/414787570.db2.gz QJSACASWZNSIKR-GDBMZVCRSA-N 2 0 292.427 0.191 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000662680611 414740315 /nfs/dbraw/zinc/74/03/15/414740315.db2.gz KMOQYGMPCJIRMZ-INIZCTEOSA-N 2 0 295.427 0.648 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC[N@@H+](CCOC)CC2)CCC[NH2+]1 ZINC000662786939 414795360 /nfs/dbraw/zinc/79/53/60/414795360.db2.gz AOMFJAVRKSEYFA-INIZCTEOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364036230 262111446 /nfs/dbraw/zinc/11/14/46/262111446.db2.gz JMNCJXIZMYDWKQ-RYUDHWBXSA-N 2 0 252.362 0.540 20 30 CCEDRP CCn1cc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cn1 ZINC000285003099 263089121 /nfs/dbraw/zinc/08/91/21/263089121.db2.gz IEOSICCAGAEKIQ-CYBMUJFWSA-N 2 0 278.404 0.792 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342113907 263389205 /nfs/dbraw/zinc/38/92/05/263389205.db2.gz WCTKMHDKEIURBT-RVMXOQNASA-N 2 0 294.399 0.446 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330755302 264030566 /nfs/dbraw/zinc/03/05/66/264030566.db2.gz YUBNIHDCZHNKSJ-LBPRGKRZSA-N 2 0 296.415 0.865 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000329792956 276167952 /nfs/dbraw/zinc/16/79/52/276167952.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 0 297.447 0.220 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417533163 328496431 /nfs/dbraw/zinc/49/64/31/328496431.db2.gz UNDUUQJMAHYRBC-CYBMUJFWSA-N 2 0 280.416 0.936 20 30 CCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000262346496 330007331 /nfs/dbraw/zinc/00/73/31/330007331.db2.gz XZQCKDJIOSZWHT-CQSZACIVSA-N 2 0 268.405 0.680 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCC(C)(C)N2CCOCC2)CCO1 ZINC000262423331 330009434 /nfs/dbraw/zinc/00/94/34/330009434.db2.gz BTTOUZDZIVNDFI-LBPRGKRZSA-N 2 0 284.404 0.133 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCOCC1 ZINC000262573682 330022085 /nfs/dbraw/zinc/02/20/85/330022085.db2.gz NOKZHANPCVYMRY-GFCCVEGCSA-N 2 0 284.404 0.181 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@H+](C)C1 ZINC000262591564 330022502 /nfs/dbraw/zinc/02/25/02/330022502.db2.gz VAJDKCNENCTYFR-NWDGAFQWSA-N 2 0 254.378 0.282 20 30 CCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCCCCC1 ZINC000262795397 330032009 /nfs/dbraw/zinc/03/20/09/330032009.db2.gz PKBFLGDYDFDILS-ZDUSSCGKSA-N 2 0 265.405 0.177 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262814494 330033433 /nfs/dbraw/zinc/03/34/33/330033433.db2.gz ROKJIVBGYLXXFM-STQMWFEESA-N 3 0 279.432 0.340 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000424162210 330307336 /nfs/dbraw/zinc/30/73/36/330307336.db2.gz CHOJMVOTZKLLMZ-RRFJBIMHSA-N 2 0 286.379 0.961 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000491340143 332193327 /nfs/dbraw/zinc/19/33/27/332193327.db2.gz VTVTVECRFPGHBG-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000491495729 332222886 /nfs/dbraw/zinc/22/28/86/332222886.db2.gz LNGBYGCCYANVLD-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000491543040 332233532 /nfs/dbraw/zinc/23/35/32/332233532.db2.gz DYNIQHAZEUYGSF-CYBMUJFWSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000491631727 332254318 /nfs/dbraw/zinc/25/43/18/332254318.db2.gz YVQRQUQNOKXLBZ-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000491636928 332257671 /nfs/dbraw/zinc/25/76/71/332257671.db2.gz VHMQHGYMKCPXIQ-LBPRGKRZSA-N 2 0 252.362 0.187 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000491640105 332260243 /nfs/dbraw/zinc/26/02/43/332260243.db2.gz XKZOFNUFHMZNKD-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000491701134 332295519 /nfs/dbraw/zinc/29/55/19/332295519.db2.gz KTZYQWYPWINSKE-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000491717200 332306737 /nfs/dbraw/zinc/30/67/37/332306737.db2.gz VRCBMORCXRIADR-ZIAGYGMSSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000491802446 332356551 /nfs/dbraw/zinc/35/65/51/332356551.db2.gz GJRUUMIRIBEGEY-HNNXBMFYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000491803365 332357423 /nfs/dbraw/zinc/35/74/23/332357423.db2.gz JDWYQRHHJWJRDF-KGLIPLIRSA-N 2 0 280.416 0.568 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305802158 649879463 /nfs/dbraw/zinc/87/94/63/649879463.db2.gz DTQHNNYWJUYKSM-CYBMUJFWSA-N 2 0 281.448 0.669 20 30 CCEDRP CON=CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000773953505 581949022 /nfs/dbraw/zinc/94/90/22/581949022.db2.gz OMZXIUYLFATQRB-UHFFFAOYSA-N 2 0 272.393 0.351 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000764376192 582043856 /nfs/dbraw/zinc/04/38/56/582043856.db2.gz IXUVSUAEYUQBSP-GFCCVEGCSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CCN(C(=O)C[N@@H+](C)CCC)C1CC[NH+](C)CC1 ZINC000886582087 613065999 /nfs/dbraw/zinc/06/59/99/613065999.db2.gz GDXLNLDICZZKHG-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000972355442 613092562 /nfs/dbraw/zinc/09/25/62/613092562.db2.gz WBULKWSLNJJVCY-STQMWFEESA-N 2 0 251.374 0.493 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970875497 612996441 /nfs/dbraw/zinc/99/64/41/612996441.db2.gz PLRJISOLVDDHCW-QWHCGFSZSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000981333601 613004445 /nfs/dbraw/zinc/00/44/45/613004445.db2.gz SADZZURKXAINCW-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891921057 613074811 /nfs/dbraw/zinc/07/48/11/613074811.db2.gz IRDWJTQRXZTJPG-VXGBXAGGSA-N 2 0 252.362 0.073 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC#C)CC1 ZINC000922629942 613075463 /nfs/dbraw/zinc/07/54/63/613075463.db2.gz MLWPXHXXKLCUGG-UHFFFAOYSA-N 2 0 290.411 0.338 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000972330415 613080956 /nfs/dbraw/zinc/08/09/56/613080956.db2.gz GABLHANPAWIDIS-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000847023025 613106862 /nfs/dbraw/zinc/10/68/62/613106862.db2.gz KOCKZYLMSKRQIM-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898613374 613128411 /nfs/dbraw/zinc/12/84/11/613128411.db2.gz FFUXFDCLMKGXIX-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)CC1 ZINC000816768124 613129038 /nfs/dbraw/zinc/12/90/38/613129038.db2.gz OBUIZRWDKBDMST-UKRRQHHQSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000928444031 613131477 /nfs/dbraw/zinc/13/14/77/613131477.db2.gz IJNYDBSYWDQZEU-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148252 613143450 /nfs/dbraw/zinc/14/34/50/613143450.db2.gz APIFLUXLRZLWOC-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686330 613224323 /nfs/dbraw/zinc/22/43/23/613224323.db2.gz WVHLJTJWZKEORY-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218444 613228944 /nfs/dbraw/zinc/22/89/44/613228944.db2.gz XRPGDJWSWVEUHO-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982235273 613293260 /nfs/dbraw/zinc/29/32/60/613293260.db2.gz KZJXXKVEHDVRJX-OIISXLGYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946890257 613305543 /nfs/dbraw/zinc/30/55/43/613305543.db2.gz LTNFHKAYFOFPGM-XHSDSOJGSA-N 2 0 289.423 0.742 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958414756 613344916 /nfs/dbraw/zinc/34/49/16/613344916.db2.gz KDGWELKDYAKMRU-RFQIPJPRSA-N 2 0 263.385 0.703 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900967616 613364056 /nfs/dbraw/zinc/36/40/56/613364056.db2.gz YIFUAPUVWNUNIG-HNNXBMFYSA-N 2 0 295.427 0.675 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000900708227 613364281 /nfs/dbraw/zinc/36/42/81/613364281.db2.gz CAIOYQWZNQXTJO-CYBMUJFWSA-N 2 0 253.390 0.904 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000900578111 613365024 /nfs/dbraw/zinc/36/50/24/613365024.db2.gz JBCKDXDRAWSCHY-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000900605780 613365649 /nfs/dbraw/zinc/36/56/49/613365649.db2.gz MJLOMCRAZKIMHW-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000876943600 613387433 /nfs/dbraw/zinc/38/74/33/613387433.db2.gz FPQCWVDOWTVURP-GFCCVEGCSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000876727695 613387983 /nfs/dbraw/zinc/38/79/83/613387983.db2.gz QXXYNRRKANWOEY-WDEREUQCSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000876744968 613388395 /nfs/dbraw/zinc/38/83/95/613388395.db2.gz XMQRRDJSCLADDS-SNVBAGLBSA-N 2 0 285.779 0.853 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000876856144 613390302 /nfs/dbraw/zinc/39/03/02/613390302.db2.gz JOBJKHWLWIPLHU-UWVGGRQHSA-N 2 0 257.765 0.715 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000876747257 613390609 /nfs/dbraw/zinc/39/06/09/613390609.db2.gz ZLCCOSLNMQJQHR-NSHDSACASA-N 2 0 285.779 0.853 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884364344 613423066 /nfs/dbraw/zinc/42/30/66/613423066.db2.gz QFMHPHPXPRYVCJ-JTNHKYCSSA-N 2 0 251.374 0.927 20 30 CCEDRP C=C[C@@H](C)ONC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875698814 613445480 /nfs/dbraw/zinc/44/54/80/613445480.db2.gz AVFVJSVQNFDWFB-MGPQQGTHSA-N 2 0 298.431 0.873 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC000979067815 613629364 /nfs/dbraw/zinc/62/93/64/613629364.db2.gz CEOQUBLIXATSFF-ZQDZILKHSA-N 2 0 275.396 0.255 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961465707 613633218 /nfs/dbraw/zinc/63/32/18/613633218.db2.gz PRUVJWXQOHDNPG-FICVDOATSA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960185659 613635448 /nfs/dbraw/zinc/63/54/48/613635448.db2.gz RJIPPPMDZRGOIW-XUWVNRHRSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549953 613674470 /nfs/dbraw/zinc/67/44/70/613674470.db2.gz VMCYFIXLEXZHRI-NEPJUHHUSA-N 2 0 251.330 0.429 20 30 CCEDRP C=CC[N@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983024959 613689082 /nfs/dbraw/zinc/68/90/82/613689082.db2.gz ASQGZWYEXJNKKM-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978182241 613835076 /nfs/dbraw/zinc/83/50/76/613835076.db2.gz QIFUAICRVMLGMN-RYPNDVFKSA-N 2 0 277.412 0.807 20 30 CCEDRP C=CCNC(=O)CN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846221524 613845571 /nfs/dbraw/zinc/84/55/71/613845571.db2.gz MSRLYDMPYFYPEI-UHFFFAOYSA-N 2 0 282.432 0.425 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000969948823 613863474 /nfs/dbraw/zinc/86/34/74/613863474.db2.gz LHGDASQYEKTBFS-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407317 613865538 /nfs/dbraw/zinc/86/55/38/613865538.db2.gz DJQLVQUGJHUGDU-MYMJJRTCSA-N 2 0 291.395 0.226 20 30 CCEDRP CC(C)[NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884025994 613949229 /nfs/dbraw/zinc/94/92/29/613949229.db2.gz PCQFZAXKDFMBPO-OWYJLGKBSA-N 2 0 278.400 0.630 20 30 CCEDRP CC(C)[C@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884034349 614227190 /nfs/dbraw/zinc/22/71/90/614227190.db2.gz CCNOGWQPDGAORX-MRFPXMQZSA-N 2 0 264.373 0.225 20 30 CCEDRP CCNC(NCC1(O)CC[NH+](C(C)C)CC1)=[NH+]CC ZINC000849214647 614420121 /nfs/dbraw/zinc/42/01/21/614420121.db2.gz AIFLKCJECRBFTD-UHFFFAOYSA-N 2 0 270.421 0.797 20 30 CCEDRP CCN(CC[NH3+])C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877005139 615047019 /nfs/dbraw/zinc/04/70/19/615047019.db2.gz AZYMLWBFVQWIIW-AWEZNQCLSA-N 2 0 272.352 0.552 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151239901 615131025 /nfs/dbraw/zinc/13/10/25/615131025.db2.gz NYEDZASSGMUXPK-OCCSQVGLSA-N 2 0 268.405 0.944 20 30 CCEDRP C[NH+]1CCC(C#N)(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000932177983 616166184 /nfs/dbraw/zinc/16/61/84/616166184.db2.gz GXHUSKBVSOKAJB-UHFFFAOYSA-N 2 0 266.389 0.869 20 30 CCEDRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884326 616449186 /nfs/dbraw/zinc/44/91/86/616449186.db2.gz IJRIIIHAWDYSLP-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843459240 616971923 /nfs/dbraw/zinc/97/19/23/616971923.db2.gz CRGIRVOQOXBGES-JSGCOSHPSA-N 2 0 272.352 0.290 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022718882 622696812 /nfs/dbraw/zinc/69/68/12/622696812.db2.gz GAIAJCWICXAIQP-FVCCEPFGSA-N 2 0 251.374 0.607 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001023130380 622921159 /nfs/dbraw/zinc/92/11/59/622921159.db2.gz LFICWKXVMRFFEH-MJBXVCDLSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001023446432 623033463 /nfs/dbraw/zinc/03/34/63/623033463.db2.gz PMESNJGRPBFVPH-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019771565 623904181 /nfs/dbraw/zinc/90/41/81/623904181.db2.gz SBRPAGRMNRAUHC-RYUDHWBXSA-N 2 0 271.792 0.881 20 30 CCEDRP CC[C@]1(C)CCN(C(NC[C@H]2C[N@H+](C)CCN2C)=[NH+]C)C1 ZINC000261735176 624816198 /nfs/dbraw/zinc/81/61/98/624816198.db2.gz JWKKPXQRPGORGU-GOEBONIOSA-N 2 0 295.475 0.930 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001022303872 624918774 /nfs/dbraw/zinc/91/87/74/624918774.db2.gz LPPOAWFJDMLRPK-RWMBFGLXSA-N 2 0 274.368 0.868 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650210 630834017 /nfs/dbraw/zinc/83/40/17/630834017.db2.gz CGFUFFDKKCUKAJ-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)[C@@H]1CC[NH2+]C1 ZINC000925893059 631438037 /nfs/dbraw/zinc/43/80/37/631438037.db2.gz KBVUPAUBSMXSOD-WCQYABFASA-N 2 0 259.357 0.953 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C)no1 ZINC000261975410 631739802 /nfs/dbraw/zinc/73/98/02/631739802.db2.gz FTLGVCCQVBHOPQ-JTQLQIEISA-N 2 0 266.349 0.267 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC000987282937 632855704 /nfs/dbraw/zinc/85/57/04/632855704.db2.gz YWWYOVBRZXQSKR-ZFWWWQNUSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989490666 633317532 /nfs/dbraw/zinc/31/75/32/633317532.db2.gz GQQWRSPSOIDLPH-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP C[C@@H](C(=O)NCC#CC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000913517913 636835071 /nfs/dbraw/zinc/83/50/71/636835071.db2.gz VFMAAFUECVEBNR-MCIONIFRSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992473976 637442245 /nfs/dbraw/zinc/44/22/45/637442245.db2.gz GNRLZHDYTUPSLD-IIAWOOMASA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759463 637843305 /nfs/dbraw/zinc/84/33/05/637843305.db2.gz LDIVKNWHMJCRSL-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000181475205 638373530 /nfs/dbraw/zinc/37/35/30/638373530.db2.gz SJWXNGVMFYVQDB-LBPRGKRZSA-N 2 0 254.378 0.506 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014455555 650453058 /nfs/dbraw/zinc/45/30/58/650453058.db2.gz MAHQBLMIQZKXQH-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456123 650453109 /nfs/dbraw/zinc/45/31/09/650453109.db2.gz NIFCFUQVBQKHAS-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014468627 650453799 /nfs/dbraw/zinc/45/37/99/650453799.db2.gz QDICQXVUJDWCFV-KBPBESRZSA-N 2 0 263.385 0.705 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998780249 638941416 /nfs/dbraw/zinc/94/14/16/638941416.db2.gz LGJOWNZQFIJFHI-YMAMQOFZSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999345790 638976074 /nfs/dbraw/zinc/97/60/74/638976074.db2.gz AYTBMOATTRVQLT-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999379522 638977585 /nfs/dbraw/zinc/97/75/85/638977585.db2.gz ZBOBKACZDQVXQZ-KGLIPLIRSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999509002 638983521 /nfs/dbraw/zinc/98/35/21/638983521.db2.gz IMEJQMQPJHZYMT-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003971501 639659222 /nfs/dbraw/zinc/65/92/22/639659222.db2.gz QBGXYERBJUAPIN-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP N#CCc1cccc2c1CCN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923409951 640125650 /nfs/dbraw/zinc/12/56/50/640125650.db2.gz KSPMCXZCPSDKQQ-BPUTZDHNSA-N 2 0 271.364 0.961 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000818936884 641365641 /nfs/dbraw/zinc/36/56/41/641365641.db2.gz ADTYKCVGSNBLBL-UHFFFAOYSA-N 2 0 265.361 0.501 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834504717 642590409 /nfs/dbraw/zinc/59/04/09/642590409.db2.gz DTHZOQYCXCBQAB-DGCLKSJQSA-N 2 0 262.357 0.089 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000846677103 643442007 /nfs/dbraw/zinc/44/20/07/643442007.db2.gz KMWQBZILHNYYFW-DGCLKSJQSA-N 2 0 258.325 0.029 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C ZINC001018268733 650851058 /nfs/dbraw/zinc/85/10/58/650851058.db2.gz DMWYWVULFNOXIX-GASCZTMLSA-N 2 0 286.379 0.890 20 30 CCEDRP C[C@H]([NH3+])C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852795838 644000746 /nfs/dbraw/zinc/00/07/46/644000746.db2.gz JMHRBKPEBNUKMI-LBPRGKRZSA-N 2 0 263.385 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852861071 644028990 /nfs/dbraw/zinc/02/89/90/644028990.db2.gz ZHCPPTDJWDRVMJ-AWEZNQCLSA-N 2 0 275.396 0.590 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000852882078 644040579 /nfs/dbraw/zinc/04/05/79/644040579.db2.gz XGPPXNSCBOZNMQ-UONOGXRCSA-N 2 0 261.369 0.200 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000852894707 644048202 /nfs/dbraw/zinc/04/82/02/644048202.db2.gz YANMDWKANIMWJZ-CQSZACIVSA-N 2 0 275.396 0.780 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000867964435 645691803 /nfs/dbraw/zinc/69/18/03/645691803.db2.gz YNGUXPNEAUDVCS-DZGCQCFKSA-N 2 0 284.363 0.613 20 30 CCEDRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876830217 646675641 /nfs/dbraw/zinc/67/56/41/646675641.db2.gz DNLDBRSILQWYCN-LYRGGWFBSA-N 2 0 298.390 0.859 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837092 646677856 /nfs/dbraw/zinc/67/78/56/646677856.db2.gz DSVADSFLHSNRME-LZWOXQAQSA-N 2 0 296.374 0.423 20 30 CCEDRP [NH3+]CC12CCC(CC1)N2C(=O)C#CC1CC[NH2+]CC1 ZINC000877185456 646751803 /nfs/dbraw/zinc/75/18/03/646751803.db2.gz ADMCKOZUPIQGFS-UHFFFAOYSA-N 2 0 261.369 0.472 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)[NH2+]1 ZINC000884029926 647618774 /nfs/dbraw/zinc/61/87/74/647618774.db2.gz AMMQLSYRFBKXMC-XSDWYMGYSA-N 2 0 276.384 0.335 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C2 ZINC000884299524 647701972 /nfs/dbraw/zinc/70/19/72/647701972.db2.gz WPXVKPFYHNLOQU-PCQVFGIUSA-N 2 0 298.337 0.239 20 30 CCEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006402458 647925714 /nfs/dbraw/zinc/92/57/14/647925714.db2.gz XFFBFRHSGNUABV-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522528 649602130 /nfs/dbraw/zinc/60/21/30/649602130.db2.gz GGZOBFBTXOVYOX-STQMWFEESA-N 2 0 268.405 0.802 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303378596 649817439 /nfs/dbraw/zinc/81/74/39/649817439.db2.gz QBWKAHCTXQVBKA-OLZOCXBDSA-N 2 0 297.447 0.632 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303717762 649824071 /nfs/dbraw/zinc/82/40/71/649824071.db2.gz UMBHXROCOSGCCA-AWEZNQCLSA-N 2 0 297.447 0.097 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C(C)C ZINC000303790816 649825138 /nfs/dbraw/zinc/82/51/38/649825138.db2.gz WWSLEFJQWQVVMR-LBPRGKRZSA-N 2 0 283.420 0.147 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000303879506 649826360 /nfs/dbraw/zinc/82/63/60/649826360.db2.gz GOZXALKIMXDEIZ-LBPRGKRZSA-N 2 0 268.405 0.802 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303897945 649826650 /nfs/dbraw/zinc/82/66/50/649826650.db2.gz QWKCUKHDLQGOSF-QWHCGFSZSA-N 2 0 268.405 0.754 20 30 CCEDRP CN(C)C(=[NH+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000303973137 649827596 /nfs/dbraw/zinc/82/75/96/649827596.db2.gz GREAOOWHSGJAGY-LBPRGKRZSA-N 2 0 283.420 0.053 20 30 CCEDRP C=C(C)C[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001266275368 790380404 /nfs/dbraw/zinc/38/04/04/790380404.db2.gz WXKLFIXLVMNKCR-UHFFFAOYSA-N 2 0 293.415 0.682 20 30 CCEDRP C#CCCN1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195720 790623258 /nfs/dbraw/zinc/62/32/58/790623258.db2.gz KXDKAUIFQMKQQF-SOUVJXGZSA-N 2 0 293.411 0.262 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266571517 790943652 /nfs/dbraw/zinc/94/36/52/790943652.db2.gz WPPXSXDPRQAOGC-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266579301 790966551 /nfs/dbraw/zinc/96/65/51/790966551.db2.gz MKHPLRJULIOQGG-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001266611466 791024018 /nfs/dbraw/zinc/02/40/18/791024018.db2.gz KPXULEVRHJQSDW-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCCCC#N)C[C@@H]21 ZINC001277951998 806451757 /nfs/dbraw/zinc/45/17/57/806451757.db2.gz RSLOOHVCTQCCKF-GJZGRUSLSA-N 2 0 280.416 0.627 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301453 799192403 /nfs/dbraw/zinc/19/24/03/799192403.db2.gz BUVDVOUGKNKIID-YNEHKIRRSA-N 2 0 264.373 0.466 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001122582237 799269559 /nfs/dbraw/zinc/26/95/59/799269559.db2.gz YHPQMSPCFUSAOD-WDEREUQCSA-N 2 0 259.781 0.962 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796300 800368859 /nfs/dbraw/zinc/36/88/59/800368859.db2.gz TVRAZYKIPUEGLW-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151057033 800392088 /nfs/dbraw/zinc/39/20/88/800392088.db2.gz QDYMMLMYIOWRLP-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151814207 800461387 /nfs/dbraw/zinc/46/13/87/800461387.db2.gz FRFRZHMAWGZUQS-CQSZACIVSA-N 2 0 281.400 0.379 20 30 CCEDRP COC(=O)c1cc(C#N)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157101808 801301914 /nfs/dbraw/zinc/30/19/14/801301914.db2.gz OZHMEMFDGWGMNN-UHFFFAOYSA-N 2 0 290.327 0.415 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@H](C[NH3+])[C@H]2C)C1 ZINC001157840427 801498345 /nfs/dbraw/zinc/49/83/45/801498345.db2.gz AUORGQGRXUZHFB-BZPMIXESSA-N 2 0 251.374 0.880 20 30 CCEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506543 801660513 /nfs/dbraw/zinc/66/05/13/801660513.db2.gz LUBYVJNOOVBMOM-LSDHHAIUSA-N 2 0 295.427 0.912 20 30 CCEDRP COC(=O)c1cc(C#N)cnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159788090 801870990 /nfs/dbraw/zinc/87/09/90/801870990.db2.gz GXGYLJRSGNFMIC-JTQLQIEISA-N 2 0 263.301 0.175 20 30 CCEDRP N#C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160636531 801984788 /nfs/dbraw/zinc/98/47/88/801984788.db2.gz HYIUDPHXYZBRLY-NWDGAFQWSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001161408239 802146533 /nfs/dbraw/zinc/14/65/33/802146533.db2.gz UGFSBSAHSATNKX-UHFFFAOYSA-N 2 0 274.368 0.637 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161649851 802191221 /nfs/dbraw/zinc/19/12/21/802191221.db2.gz YZMHBFIMNLKSGV-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCC[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001279753282 809995913 /nfs/dbraw/zinc/99/59/13/809995913.db2.gz FNPVTLAHZHZEEL-UHFFFAOYSA-N 2 0 295.427 0.601 20 30 CCEDRP C[N@H+]1C[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]2C1 ZINC001165144349 802787936 /nfs/dbraw/zinc/78/79/36/802787936.db2.gz HXMKTKHVMLFSGN-OKILXGFUSA-N 2 0 297.406 0.987 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001267805838 811801859 /nfs/dbraw/zinc/80/18/59/811801859.db2.gz JBKSKHUGMNZLGN-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166736418 802954294 /nfs/dbraw/zinc/95/42/94/802954294.db2.gz KQNJLIYIHSIIQX-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#CCOC)[NH+](C)C ZINC001166858725 802970996 /nfs/dbraw/zinc/97/09/96/802970996.db2.gz YVDLUADMMHBDLO-ZDUSSCGKSA-N 2 0 269.389 0.072 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166930774 802981638 /nfs/dbraw/zinc/98/16/38/802981638.db2.gz NDXGVRBTIBGIDA-OAHLLOKOSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206308198 803226209 /nfs/dbraw/zinc/22/62/09/803226209.db2.gz ZUKCKCZGLJBFNY-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206519457 803258460 /nfs/dbraw/zinc/25/84/60/803258460.db2.gz LVXLGFRNWCAGSN-KBPBESRZSA-N 2 0 262.353 0.872 20 30 CCEDRP N#Cc1nccnc1N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207438993 803400758 /nfs/dbraw/zinc/40/07/58/803400758.db2.gz HDDVPQIZWFRDMM-UHFFFAOYSA-N 2 0 286.383 0.470 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334929 803506569 /nfs/dbraw/zinc/50/65/69/803506569.db2.gz OIMYFJXFLGDDCG-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323114 803594958 /nfs/dbraw/zinc/59/49/58/803594958.db2.gz FLLUIUSDCOWZAN-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001088579255 814952439 /nfs/dbraw/zinc/95/24/39/814952439.db2.gz WWGGYIKOJRBCMD-CBBWQLFWSA-N 2 0 277.412 0.929 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081151 803666890 /nfs/dbraw/zinc/66/68/90/803666890.db2.gz IUYYMAARJMMQMH-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340141 803690746 /nfs/dbraw/zinc/69/07/46/803690746.db2.gz RUODIWFATIWZOP-ZIAGYGMSSA-N 2 0 295.427 0.720 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cc(C#N)ccn1 ZINC001218503602 803969809 /nfs/dbraw/zinc/96/98/09/803969809.db2.gz IHAOUINGLCLRBJ-LBPRGKRZSA-N 2 0 275.356 0.951 20 30 CCEDRP C[C@@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218552001 804002310 /nfs/dbraw/zinc/00/23/10/804002310.db2.gz BHZONDMUWACJJY-ZCFIWIBFSA-N 2 0 250.327 0.551 20 30 CCEDRP N#Cc1cccc2[nH]nc(NC(=O)[C@H]([NH3+])CCC[NH3+])c21 ZINC001218656668 804067164 /nfs/dbraw/zinc/06/71/64/804067164.db2.gz JQZKYBOIRDRAER-SECBINFHSA-N 2 0 272.312 0.439 20 30 CCEDRP Cc1coc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1C#N ZINC001218764800 804114351 /nfs/dbraw/zinc/11/43/51/804114351.db2.gz PIHXHEUNAQJYIM-NSHDSACASA-N 2 0 262.313 0.725 20 30 CCEDRP C[NH2+]CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1C#N ZINC001220054400 804486720 /nfs/dbraw/zinc/48/67/20/804486720.db2.gz APTURWGQLCIWFR-KGLIPLIRSA-N 2 0 272.352 0.197 20 30 CCEDRP N#C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220095390 804497249 /nfs/dbraw/zinc/49/72/49/804497249.db2.gz XJWJJUOVUVBEFD-RAIGVLPGSA-N 2 0 264.373 0.512 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688604 804650364 /nfs/dbraw/zinc/65/03/64/804650364.db2.gz MCEMSJANRMGKEG-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220699914 804651781 /nfs/dbraw/zinc/65/17/81/804651781.db2.gz BDKWWAWIZQOJOH-YRGRVCCFSA-N 2 0 264.373 0.240 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771376 804663386 /nfs/dbraw/zinc/66/33/86/804663386.db2.gz QOGUSXSZLALMTD-KGLIPLIRSA-N 2 0 293.411 0.210 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790835 804667836 /nfs/dbraw/zinc/66/78/36/804667836.db2.gz VDBUTQDIBOKVIH-GUTXKFCHSA-N 2 0 272.352 0.199 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC001220886921 804691132 /nfs/dbraw/zinc/69/11/32/804691132.db2.gz PNUWGPJPZMOVJI-UONOGXRCSA-N 2 0 272.352 0.816 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221079118 804727091 /nfs/dbraw/zinc/72/70/91/804727091.db2.gz ISWYWDFRLVFAOZ-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP N#Cc1cc(C2=CC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001243111456 807031966 /nfs/dbraw/zinc/03/19/66/807031966.db2.gz UAFWQYFYNXTHCR-UHFFFAOYSA-N 2 0 254.337 0.954 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001223471939 804975137 /nfs/dbraw/zinc/97/51/37/804975137.db2.gz HMEAHJRATKDWTJ-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCCC[NH+]1CC2(C[C@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276977801 805046422 /nfs/dbraw/zinc/04/64/22/805046422.db2.gz GEUCUKCUKWRSJX-HNNXBMFYSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658752 815051420 /nfs/dbraw/zinc/05/14/20/815051420.db2.gz SUGYKZJKLVIZES-YIYPIFLZSA-N 2 0 281.400 0.471 20 30 CCEDRP CC[C@H](C(=O)NC1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001227979905 805403842 /nfs/dbraw/zinc/40/38/42/805403842.db2.gz NTBHVJCOZCXUFW-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717808 805551165 /nfs/dbraw/zinc/55/11/65/805551165.db2.gz YFCMZINJFXKTCY-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048703 807132961 /nfs/dbraw/zinc/13/29/61/807132961.db2.gz ZZXRATWZLUQFNS-IIAWOOMASA-N 2 0 296.411 0.788 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246305781 807216657 /nfs/dbraw/zinc/21/66/57/807216657.db2.gz JIUJKFRMJRHUHR-XGUBFFRZSA-N 2 0 295.427 0.801 20 30 CCEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246569714 807294997 /nfs/dbraw/zinc/29/49/97/807294997.db2.gz SDCJOGQVPZAGBA-NILFDRSVSA-N 2 0 259.353 0.883 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001251885081 807733422 /nfs/dbraw/zinc/73/34/22/807733422.db2.gz NISSUUVMXAWRKN-KGLIPLIRSA-N 2 0 254.374 0.319 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001251903808 807743394 /nfs/dbraw/zinc/74/33/94/807743394.db2.gz PELLPFQKIOZVMC-HZSPNIEDSA-N 2 0 254.374 0.460 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252468212 807879116 /nfs/dbraw/zinc/87/91/16/807879116.db2.gz LSXCVDJSBYFQIZ-HNNXBMFYSA-N 2 0 285.432 0.119 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252488365 807890925 /nfs/dbraw/zinc/89/09/25/807890925.db2.gz LMESXCPVBLELGP-ZDUSSCGKSA-N 2 0 254.374 0.625 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001278761033 808178228 /nfs/dbraw/zinc/17/82/28/808178228.db2.gz ADSSBHABHLTYNS-QLFBSQMISA-N 2 0 295.427 0.149 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001278780025 808223295 /nfs/dbraw/zinc/22/32/95/808223295.db2.gz VCGKNXMHWMYZIN-AWEZNQCLSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001263178326 809471443 /nfs/dbraw/zinc/47/14/43/809471443.db2.gz JMDFRMIPMHOFJA-CQSZACIVSA-N 2 0 257.337 0.040 20 30 CCEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076568964 815311864 /nfs/dbraw/zinc/31/18/64/815311864.db2.gz FEKWTBLFBMUTAV-MELADBBJSA-N 2 0 263.385 0.657 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265311877 809755532 /nfs/dbraw/zinc/75/55/32/809755532.db2.gz CCTDZUQZLNZDJZ-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265356099 809763742 /nfs/dbraw/zinc/76/37/42/809763742.db2.gz IJZFSLWVWBNANA-HZPDHXFCSA-N 2 0 289.423 0.836 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265503225 809793889 /nfs/dbraw/zinc/79/38/89/809793889.db2.gz NBVWRXJBMKEVPF-SHTZXODSSA-N 2 0 295.427 0.605 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302092 811120862 /nfs/dbraw/zinc/12/08/62/811120862.db2.gz LUMGORJYADFDFO-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769397 811675524 /nfs/dbraw/zinc/67/55/24/811675524.db2.gz IHZNTXXAKWYDOE-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268011465 811949398 /nfs/dbraw/zinc/94/93/98/811949398.db2.gz WIUAQZPAJFMSFI-CQSZACIVSA-N 2 0 293.411 0.074 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001268095106 812244723 /nfs/dbraw/zinc/24/47/23/812244723.db2.gz YANFBJHODKKXEB-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268236669 812399404 /nfs/dbraw/zinc/39/94/04/812399404.db2.gz FGLGZAMNKGWSHW-ZIAGYGMSSA-N 2 0 265.401 0.740 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268707721 813026415 /nfs/dbraw/zinc/02/64/15/813026415.db2.gz JBKXUMUIRUMEQI-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001268735086 813049647 /nfs/dbraw/zinc/04/96/47/813049647.db2.gz DQDPVBWTIDAHHY-ZIAGYGMSSA-N 2 0 288.395 0.905 20 30 CCEDRP COCC#CCN1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268838731 813110067 /nfs/dbraw/zinc/11/00/67/813110067.db2.gz UPKHUZJKILDWAG-UHFFFAOYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001269078155 813207087 /nfs/dbraw/zinc/20/70/87/813207087.db2.gz ANDVQUKVCUUTFU-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C1CC1 ZINC001269140207 813235904 /nfs/dbraw/zinc/23/59/04/813235904.db2.gz DQHJDFVIHVWCRY-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001269895716 813547854 /nfs/dbraw/zinc/54/78/54/813547854.db2.gz WRIKVHJZRVIIKY-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001270158714 813654770 /nfs/dbraw/zinc/65/47/70/813654770.db2.gz YWXOSUWMKPDVSR-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029002910 813745188 /nfs/dbraw/zinc/74/51/88/813745188.db2.gz DKTRPTFLHPMOHX-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270624790 813849413 /nfs/dbraw/zinc/84/94/13/813849413.db2.gz SYCBIPSVFFZRIL-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941921 816017399 /nfs/dbraw/zinc/01/73/99/816017399.db2.gz QJRISEHTRFQDQE-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217802 816444434 /nfs/dbraw/zinc/44/44/34/816444434.db2.gz HVINSESKPDMZNH-ZFWWWQNUSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC001122009235 816529859 /nfs/dbraw/zinc/52/98/59/816529859.db2.gz ISUDVGZZFNGKQE-ZIAGYGMSSA-N 2 0 282.432 0.422 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001272583505 816663780 /nfs/dbraw/zinc/66/37/80/816663780.db2.gz IEGSSSLPSBKKNI-CABCVRRESA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106590967 816816511 /nfs/dbraw/zinc/81/65/11/816816511.db2.gz HKKCPRMJBGCVBZ-ZIAGYGMSSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001032207501 817703765 /nfs/dbraw/zinc/70/37/65/817703765.db2.gz UKHMASCIEQLFLU-UHFFFAOYSA-N 2 0 287.407 0.403 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530967 817874331 /nfs/dbraw/zinc/87/43/31/817874331.db2.gz VRSQTQIUEZZKDZ-GDBMZVCRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960316 818389017 /nfs/dbraw/zinc/38/90/17/818389017.db2.gz QWEGQXUAGLQDJK-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395878 818752759 /nfs/dbraw/zinc/75/27/59/818752759.db2.gz LKMUNWMMNXAISV-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583635 818846027 /nfs/dbraw/zinc/84/60/27/818846027.db2.gz WZWUJHAUJHHSFB-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662221 818882397 /nfs/dbraw/zinc/88/23/97/818882397.db2.gz PAEOMQKAAQMWLW-OLZOCXBDSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034489385 819222402 /nfs/dbraw/zinc/22/24/02/819222402.db2.gz BXUCKVJALLFIDJ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035313021 819463226 /nfs/dbraw/zinc/46/32/26/819463226.db2.gz LWZFZVGJYRHTET-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001036054788 819678793 /nfs/dbraw/zinc/67/87/93/819678793.db2.gz MNARIZMINJCUGV-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001036052564 819678817 /nfs/dbraw/zinc/67/88/17/819678817.db2.gz AYPLOCOXCFYIPH-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C[C@@H](C#N)OCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710622756 819857606 /nfs/dbraw/zinc/85/76/06/819857606.db2.gz MDTYDTRNFICDTJ-LBPRGKRZSA-N 2 0 255.362 0.304 20 30 CCEDRP C#CCN1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144429 819895457 /nfs/dbraw/zinc/89/54/57/819895457.db2.gz PUVLHYTTYJVXGV-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079494771 820412251 /nfs/dbraw/zinc/41/22/51/820412251.db2.gz OGGIGOWUUGUOLP-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442534 820577869 /nfs/dbraw/zinc/57/78/69/820577869.db2.gz DMLYPABDNXRBPT-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080940057 820657651 /nfs/dbraw/zinc/65/76/51/820657651.db2.gz VTKGLJVMTZGNQF-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935109 820657849 /nfs/dbraw/zinc/65/78/49/820657849.db2.gz KURNNILOXYXFOV-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001273203909 820838587 /nfs/dbraw/zinc/83/85/87/820838587.db2.gz JAUCUFAOSQVONQ-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135149 820904140 /nfs/dbraw/zinc/90/41/40/820904140.db2.gz QPHQPRQCIMVIRT-MGPQQGTHSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369907 820946827 /nfs/dbraw/zinc/94/68/27/820946827.db2.gz IXVDGYJBGWBDIP-MGPQQGTHSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866549 821415014 /nfs/dbraw/zinc/41/50/14/821415014.db2.gz WOKUQAUPULQXDH-ZIAGYGMSSA-N 2 0 274.368 0.992 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001273358430 821923626 /nfs/dbraw/zinc/92/36/26/821923626.db2.gz FEOAFPRSVFGERN-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086177495 822144125 /nfs/dbraw/zinc/14/41/25/822144125.db2.gz WHXWAHACLHATDR-ZNMIVQPWSA-N 2 0 295.427 0.766 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197365 822151621 /nfs/dbraw/zinc/15/16/21/822151621.db2.gz FFYOHCQBFZJLSL-IGQOVBAYSA-N 2 0 265.401 0.855 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100077265 822237571 /nfs/dbraw/zinc/23/75/71/822237571.db2.gz ZPHHNOOJRKHVNB-CABCVRRESA-N 2 0 295.427 0.293 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130192492 837719329 /nfs/dbraw/zinc/71/93/29/837719329.db2.gz NRPDMERPLFQCSB-STQMWFEESA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394859 836003235 /nfs/dbraw/zinc/00/32/35/836003235.db2.gz LJYFRPRJCYJFII-GDBMZVCRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130553952 837851514 /nfs/dbraw/zinc/85/15/14/837851514.db2.gz TXMPAWOFKQHNQC-UHFFFAOYSA-N 2 0 262.357 0.800 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131791030 838218901 /nfs/dbraw/zinc/21/89/01/838218901.db2.gz ZGTGHSBKISUXBC-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426040 838393316 /nfs/dbraw/zinc/39/33/16/838393316.db2.gz RDMYUQPIADBPMN-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132738459 838481021 /nfs/dbraw/zinc/48/10/21/838481021.db2.gz DPDWNWDHEDNTGO-CQSZACIVSA-N 2 0 265.401 0.838 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985375 838529661 /nfs/dbraw/zinc/52/96/61/838529661.db2.gz FBXSXOJWRLZTQG-UHFFFAOYSA-N 2 0 263.341 0.684 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206074650 838549907 /nfs/dbraw/zinc/54/99/07/838549907.db2.gz RFIKVLATIPMMTL-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863792 838753044 /nfs/dbraw/zinc/75/30/44/838753044.db2.gz POOPYEZOCNWNED-QWHCGFSZSA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252587058 848025136 /nfs/dbraw/zinc/02/51/36/848025136.db2.gz OVVYQMGJKZAUJV-AWEZNQCLSA-N 2 0 255.406 0.541 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758081 839070723 /nfs/dbraw/zinc/07/07/23/839070723.db2.gz UXXHPUJAUICDAP-OAHLLOKOSA-N 2 0 295.427 0.607 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185447284 844424805 /nfs/dbraw/zinc/42/48/05/844424805.db2.gz ZIGMOLLDVHNVHY-HUUCEWRRSA-N 2 0 295.427 0.413 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185492775 844424832 /nfs/dbraw/zinc/42/48/32/844424832.db2.gz RKMWARBBAYEILE-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135957157 839482110 /nfs/dbraw/zinc/48/21/10/839482110.db2.gz YKEAJDDHKOZMNX-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C/C(=N\C#N)N(C)Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])nc1 ZINC001170896855 839539656 /nfs/dbraw/zinc/53/96/56/839539656.db2.gz APKFRBDQEGNHPC-OTGIAGGSSA-N 2 0 289.387 0.848 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186082313 844493124 /nfs/dbraw/zinc/49/31/24/844493124.db2.gz JRIBNXPZRLAVSN-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530710 840253990 /nfs/dbraw/zinc/25/39/90/840253990.db2.gz FRROHXVRRSUWOF-YCPHGPKFSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]CCO)CC1 ZINC001146610585 840334708 /nfs/dbraw/zinc/33/47/08/840334708.db2.gz KKPBUFJKZWOZMK-UONOGXRCSA-N 2 0 295.427 0.197 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301057 840539080 /nfs/dbraw/zinc/53/90/80/840539080.db2.gz LPDLUPVLPLMELJ-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877888 840711444 /nfs/dbraw/zinc/71/14/44/840711444.db2.gz OWIUPVPYTBGBHI-LLVKDONJSA-N 2 0 259.781 0.787 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148542385 840831276 /nfs/dbraw/zinc/83/12/76/840831276.db2.gz DZPCWDBXAXFJBS-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171362274 840949806 /nfs/dbraw/zinc/94/98/06/840949806.db2.gz NTNREHUFFATXRC-UHFFFAOYSA-N 2 0 274.368 0.880 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714465067 841213068 /nfs/dbraw/zinc/21/30/68/841213068.db2.gz FSVCIMKHVQGPMX-UHFFFAOYSA-N 2 0 253.390 0.986 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171762598 841760257 /nfs/dbraw/zinc/76/02/57/841760257.db2.gz HPKQMPUGYGTBRQ-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1CC[NH+](C)CC1)C2 ZINC001094992593 841992301 /nfs/dbraw/zinc/99/23/01/841992301.db2.gz FBKQRMDXYUCPBE-IMJJTQAJSA-N 2 0 289.423 0.931 20 30 CCEDRP C=C(C)CN1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177079428 842502356 /nfs/dbraw/zinc/50/23/56/842502356.db2.gz CNBYMCLHDCEIIJ-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359439 843007097 /nfs/dbraw/zinc/00/70/97/843007097.db2.gz SFJYTQXOXHHYAQ-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001180227027 843120545 /nfs/dbraw/zinc/12/05/45/843120545.db2.gz YQMBUOHOMFEUDW-KBPBESRZSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC(C)(C)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001182641851 843886437 /nfs/dbraw/zinc/88/64/37/843886437.db2.gz UYZHXBSHFKTNQF-UHFFFAOYSA-N 2 0 252.362 0.710 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801793 845226633 /nfs/dbraw/zinc/22/66/33/845226633.db2.gz NHGVVLCEZRQJJY-LSDHHAIUSA-N 2 0 295.427 0.673 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353218 845824839 /nfs/dbraw/zinc/82/48/39/845824839.db2.gz BRKGBISQBQCHEO-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001192969692 845957610 /nfs/dbraw/zinc/95/76/10/845957610.db2.gz MWOWGRDMUNFMFY-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292836 846045733 /nfs/dbraw/zinc/04/57/33/846045733.db2.gz UVGSKABSJABFOE-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP Cc1cc(C#N)cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001195428804 846540161 /nfs/dbraw/zinc/54/01/61/846540161.db2.gz AFNVXMPSCIRGKI-UHFFFAOYSA-N 2 0 273.340 0.941 20 30 CCEDRP C=CC[C@H](C(=O)OC)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001196788950 846800787 /nfs/dbraw/zinc/80/07/87/846800787.db2.gz FVZJQQCZPQQCGW-FRRDWIJNSA-N 2 0 252.358 0.988 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471205 847130728 /nfs/dbraw/zinc/13/07/28/847130728.db2.gz JHDBOGCXGNITDD-HNNXBMFYSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202166077 847862334 /nfs/dbraw/zinc/86/23/34/847862334.db2.gz UXNSEMFUPXDOTK-AWEZNQCLSA-N 2 0 283.416 0.720 20 30 CCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001273931254 847865776 /nfs/dbraw/zinc/86/57/76/847865776.db2.gz ZUTPCMHMMBVHET-HOCLYGCPSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252451546 847970925 /nfs/dbraw/zinc/97/09/25/847970925.db2.gz RVROQSIJYAXADM-CQSZACIVSA-N 2 0 256.390 0.871 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000768 848030050 /nfs/dbraw/zinc/03/00/50/848030050.db2.gz LMFUZXIEMWQBOO-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410048 848050360 /nfs/dbraw/zinc/05/03/60/848050360.db2.gz SHBIJWIMVFUDQS-DGAVXFQQSA-N 2 0 261.369 0.006 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114442408 848066160 /nfs/dbraw/zinc/06/61/60/848066160.db2.gz GSZWEKZEFIMMOR-YJNKXOJESA-N 2 0 277.412 0.642 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)O ZINC001153864465 848092723 /nfs/dbraw/zinc/09/27/23/848092723.db2.gz UIDQARWKHWRRCH-KFWWJZLASA-N 2 0 295.427 0.291 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001274006980 848297104 /nfs/dbraw/zinc/29/71/04/848297104.db2.gz JUIOTORYWIKRHH-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001274250576 848430192 /nfs/dbraw/zinc/43/01/92/848430192.db2.gz IQOCXYZHGIJQMJ-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001274571573 848507505 /nfs/dbraw/zinc/50/75/05/848507505.db2.gz DNUMVBLPKZEUET-AWEZNQCLSA-N 2 0 295.427 0.149 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001274611053 848521756 /nfs/dbraw/zinc/52/17/56/848521756.db2.gz RHMVALFGXMHFAJ-VOTSOKGWSA-N 2 0 287.407 0.617 20 30 CCEDRP 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CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001490948234 903263510 /nfs/dbraw/zinc/26/35/10/903263510.db2.gz LCCOSTSSQUNPAH-JOCQHMNTSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491178897 903423673 /nfs/dbraw/zinc/42/36/73/903423673.db2.gz HKWNKUSHJREADW-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001491370727 903511587 /nfs/dbraw/zinc/51/15/87/903511587.db2.gz XVWJLFREEPYWKO-WLYUNCDWSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064256 903832591 /nfs/dbraw/zinc/83/25/91/903832591.db2.gz LOQMGGJDCPOPIG-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280620137 904128399 /nfs/dbraw/zinc/12/83/99/904128399.db2.gz KPKXWPAABUENRU-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001281283630 904257531 /nfs/dbraw/zinc/25/75/31/904257531.db2.gz WMANLRGMOKUFOY-UHFFFAOYSA-N 2 0 281.400 0.523 20 30 CCEDRP COCC#CC[NH2+]CC1CC(NC(=O)CC[NH+](C)C)C1 ZINC001282053246 904398662 /nfs/dbraw/zinc/39/86/62/904398662.db2.gz RHWNQSQLKWMWAS-UHFFFAOYSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283261248 904780833 /nfs/dbraw/zinc/78/08/33/904780833.db2.gz QUDQKSDKZJTKCI-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283261249 904782596 /nfs/dbraw/zinc/78/25/96/904782596.db2.gz QUDQKSDKZJTKCI-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283715651 904971819 /nfs/dbraw/zinc/97/18/19/904971819.db2.gz VCGUZIWSSHZKET-UONOGXRCSA-N 2 0 283.416 0.577 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284004519 905113628 /nfs/dbraw/zinc/11/36/28/905113628.db2.gz SIIQGJRKGQIFKW-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001284520644 905355210 /nfs/dbraw/zinc/35/52/10/905355210.db2.gz WAUCISUZSXNAAF-CQSZACIVSA-N 2 0 285.432 0.654 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001491849604 907605096 /nfs/dbraw/zinc/60/50/96/907605096.db2.gz JACPREOIKFRBAM-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001336732102 907970193 /nfs/dbraw/zinc/97/01/93/907970193.db2.gz AEKABHGNJKHAHB-CQSZACIVSA-N 2 0 280.416 0.268 20 30 CCEDRP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001316865550 908561672 /nfs/dbraw/zinc/56/16/72/908561672.db2.gz MFNQPRRLMCIIPD-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317033520 908931767 /nfs/dbraw/zinc/93/17/67/908931767.db2.gz HWJXTBWLVLYYSE-ZIAGYGMSSA-N 2 0 263.385 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317067852 908956492 /nfs/dbraw/zinc/95/64/92/908956492.db2.gz GOLQZKQIGYSDAC-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317088000 908971990 /nfs/dbraw/zinc/97/19/90/908971990.db2.gz UYUGSUBJFAKGOK-KKUMJFAQSA-N 2 0 293.411 0.357 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001317533538 909301965 /nfs/dbraw/zinc/30/19/65/909301965.db2.gz WIXSZXDWXONXOT-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001317533537 909305798 /nfs/dbraw/zinc/30/57/98/909305798.db2.gz WIXSZXDWXONXOT-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC001338534102 921503031 /nfs/dbraw/zinc/50/30/31/921503031.db2.gz KHZICSHOWCGDAP-KBPBESRZSA-N 2 0 267.417 0.232 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001319057232 909970967 /nfs/dbraw/zinc/97/09/67/909970967.db2.gz HJXZWJIJJPIBTH-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001319967316 910376870 /nfs/dbraw/zinc/37/68/70/910376870.db2.gz DSJOUGWENBIQQQ-CYBMUJFWSA-N 2 0 253.390 0.690 20 30 CCEDRP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001330032120 916368446 /nfs/dbraw/zinc/36/84/46/916368446.db2.gz QKUCYNFYCJARCM-UKRRQHHQSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001330230080 916496012 /nfs/dbraw/zinc/49/60/12/916496012.db2.gz LMKZEMYENFIMLM-GFCCVEGCSA-N 2 0 251.374 0.398 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001331469986 917354428 /nfs/dbraw/zinc/35/44/28/917354428.db2.gz LWFRHOAIOYBJIA-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331773705 917597826 /nfs/dbraw/zinc/59/78/26/917597826.db2.gz WGTMJIYTXSXHFF-CHWSQXEVSA-N 2 0 269.389 0.114 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001406291563 919156345 /nfs/dbraw/zinc/15/63/45/919156345.db2.gz AJIGTIPWHDJTOB-NSHDSACASA-N 2 0 277.796 0.146 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]CCC(=O)Nc1cccnc1 ZINC001335382363 920157679 /nfs/dbraw/zinc/15/76/79/920157679.db2.gz PSKAKAJVHQBZAZ-UHFFFAOYSA-N 2 0 260.341 0.565 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC001341651982 922603783 /nfs/dbraw/zinc/60/37/83/922603783.db2.gz INGVQHCAYIJZTI-TZMCWYRMSA-N 2 0 263.385 0.351 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001341697891 922635515 /nfs/dbraw/zinc/63/55/15/922635515.db2.gz VKNVROGAMIIZLQ-ZNMIVQPWSA-N 2 0 295.427 0.728 20 30 CCEDRP C#CCNCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC001342129363 922821409 /nfs/dbraw/zinc/82/14/09/922821409.db2.gz HDXWXWYKUWTBFS-CQSZACIVSA-N 2 0 273.336 0.509 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC001342153883 922834514 /nfs/dbraw/zinc/83/45/14/922834514.db2.gz FDTOBYDVCVIJRK-CABCVRRESA-N 2 0 271.364 0.410 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342432884 922959676 /nfs/dbraw/zinc/95/96/76/922959676.db2.gz YPCGUGAATHUSAR-UONOGXRCSA-N 2 0 295.427 0.945 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCCO)CC1 ZINC001479815615 923612733 /nfs/dbraw/zinc/61/27/33/923612733.db2.gz KQSOQFOVLFGEAB-UHFFFAOYSA-N 2 0 295.427 0.152 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001347430654 924444648 /nfs/dbraw/zinc/44/46/48/924444648.db2.gz ZFTDOPNZNCENGB-CQSZACIVSA-N 2 0 269.389 0.019 20 30 CCEDRP C#CCNCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001357128405 926486388 /nfs/dbraw/zinc/48/63/88/926486388.db2.gz JLZMFZLDBJKVLB-UHFFFAOYSA-N 2 0 286.379 0.600 20 30 CCEDRP C[NH2+][C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC001358170676 926648772 /nfs/dbraw/zinc/64/87/72/926648772.db2.gz PWBBSTSSPNLPKH-GJZGRUSLSA-N 2 0 288.395 0.954 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC001358334132 926676254 /nfs/dbraw/zinc/67/62/54/926676254.db2.gz VLYMLRIXJVTIBX-FZNQNYSPSA-N 2 0 271.364 0.385 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001480550486 926946049 /nfs/dbraw/zinc/94/60/49/926946049.db2.gz ZMUMJYHEAXMGDG-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600719633 362044632 /nfs/dbraw/zinc/04/46/32/362044632.db2.gz CVXKSOVLLOJJBF-KBPBESRZSA-N 2 0 280.416 0.267 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602528092 362660150 /nfs/dbraw/zinc/66/01/50/362660150.db2.gz BFCLRXZSDPYBEB-VXGBXAGGSA-N 2 0 264.373 0.798 20 30 CCEDRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847334 362834263 /nfs/dbraw/zinc/83/42/63/362834263.db2.gz AITGNAWGYHTAHL-KKUMJFAQSA-N 2 0 282.432 0.606 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccco1 ZINC000088769323 349372590 /nfs/dbraw/zinc/37/25/90/349372590.db2.gz BHQSBXKLSRDLEY-CYBMUJFWSA-N 2 0 293.415 0.533 20 30 CCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579809 352561674 /nfs/dbraw/zinc/56/16/74/352561674.db2.gz FAQUETUDEQRFAH-IHRRRGAJSA-N 2 0 263.385 0.856 20 30 CCEDRP N#C[C@]1(c2nc(C3([NH3+])CCCCC3)no2)CC[NH2+]C1 ZINC000591664467 359631685 /nfs/dbraw/zinc/63/16/85/359631685.db2.gz DLRZZSDCHSWAQZ-GFCCVEGCSA-N 2 0 261.329 0.942 20 30 CCEDRP C=CCSCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000591728203 359648850 /nfs/dbraw/zinc/64/88/50/359648850.db2.gz RAIXAIRPNVVERV-CYBMUJFWSA-N 2 0 273.446 0.104 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+](C)C1CC1 ZINC000594437109 360306086 /nfs/dbraw/zinc/30/60/86/360306086.db2.gz IAZBDNQIOYRNSC-DGCLKSJQSA-N 2 0 266.389 0.997 20 30 CCEDRP CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594426114 360301354 /nfs/dbraw/zinc/30/13/54/360301354.db2.gz NJQFHNUNIRFYJO-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000594438292 360307679 /nfs/dbraw/zinc/30/76/79/360307679.db2.gz SMWBNQQXLYDLAS-CYBMUJFWSA-N 2 0 264.373 0.704 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000594440610 360310134 /nfs/dbraw/zinc/31/01/34/360310134.db2.gz GZUSSVGSBYNXQE-CYBMUJFWSA-N 2 0 266.389 1.000 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000594443941 360312081 /nfs/dbraw/zinc/31/20/81/360312081.db2.gz KFLOJCLRWZHBHI-DZGCQCFKSA-N 2 0 278.400 1.000 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000594452161 360316272 /nfs/dbraw/zinc/31/62/72/360316272.db2.gz DMUWWKAVVYLMQK-ZDUSSCGKSA-N 2 0 266.389 0.985 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C[NH3+])C1CC1 ZINC000594455654 360317182 /nfs/dbraw/zinc/31/71/82/360317182.db2.gz AQMYRYRZIBRXQV-RYUDHWBXSA-N 2 0 252.362 0.593 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCCC1 ZINC000594469572 360321153 /nfs/dbraw/zinc/32/11/53/360321153.db2.gz ZHAULMVKHDEMSW-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP CN1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)cnn3)C2)CC1 ZINC000596123140 360802137 /nfs/dbraw/zinc/80/21/37/360802137.db2.gz NMILATBVLBFVSZ-CYBMUJFWSA-N 2 0 286.383 0.351 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNc1nc(N)[nH+]c(N)n1)C(C)C ZINC000623837817 367674850 /nfs/dbraw/zinc/67/48/50/367674850.db2.gz WBMXKPUXVJYGIC-LLVKDONJSA-N 2 0 291.403 0.229 20 30 CCEDRP C[NH+]1CCCN(CC#CCN2CCC[N@@H+](C)CC2)CC1 ZINC000625063550 368054413 /nfs/dbraw/zinc/05/44/13/368054413.db2.gz RCVAICOZVXMAIA-UHFFFAOYSA-N 2 0 278.444 0.265 20 30 CCEDRP C=CC[C@]1(C(=O)N(C)CCOCC[NH2+]C)CCC[NH2+]1 ZINC000638594159 375175814 /nfs/dbraw/zinc/17/58/14/375175814.db2.gz KAGSBIFWVPSUFI-CQSZACIVSA-N 2 0 269.389 0.379 20 30 CCEDRP C[C@@H]1C[N@H+](CCOCCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339059098 389123399 /nfs/dbraw/zinc/12/33/99/389123399.db2.gz FRCAXUUIXOPQTJ-CVEARBPZSA-N 2 0 294.443 0.874 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000133407956 389235408 /nfs/dbraw/zinc/23/54/08/389235408.db2.gz YSGMRFVWVRPCQP-ZDUSSCGKSA-N 2 0 266.389 0.632 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N(C)Cc1ccon1 ZINC000261724212 389275566 /nfs/dbraw/zinc/27/55/66/389275566.db2.gz ISZPEAFJZBGWKC-UHFFFAOYSA-N 2 0 265.361 0.778 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261995953 389279838 /nfs/dbraw/zinc/27/98/38/389279838.db2.gz SITGTHYLYJYCSU-STQMWFEESA-N 2 0 292.431 0.814 20 30 CCEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC1CC1 ZINC000262196124 389283294 /nfs/dbraw/zinc/28/32/94/389283294.db2.gz HOAJLMMRSRMFEU-HNNXBMFYSA-N 2 0 288.395 0.820 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417519819 389826187 /nfs/dbraw/zinc/82/61/87/389826187.db2.gz BDRUCXMPXUQKIQ-JSGCOSHPSA-N 2 0 280.416 0.934 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH2+]CC)CC1 ZINC000417530903 389827951 /nfs/dbraw/zinc/82/79/51/389827951.db2.gz RBTJMNKFSZCLCU-GFCCVEGCSA-N 2 0 268.405 0.934 20 30 CCEDRP C#CCN(C)CCC[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000491454573 390113618 /nfs/dbraw/zinc/11/36/18/390113618.db2.gz ZUYWPLKCHJXHBL-JYJNAYRXSA-N 2 0 297.443 0.001 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564845530 390497209 /nfs/dbraw/zinc/49/72/09/390497209.db2.gz UHIAMNQKRXWXIU-HIFRSBDPSA-N 2 0 280.416 0.267 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567689791 390710496 /nfs/dbraw/zinc/71/04/96/390710496.db2.gz QWSBIEKCDOWSTC-WTXIUTQJSA-N 2 0 294.443 0.798 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346911 412033322 /nfs/dbraw/zinc/03/33/22/412033322.db2.gz LGPPFDPTKBADHJ-XQLPTFJDSA-N 2 0 295.427 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NCC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662394650 414714099 /nfs/dbraw/zinc/71/40/99/414714099.db2.gz AMECJKKTVUVQLH-CQSZACIVSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@@]1(C(=O)NC2CC[NH+](CCOC)CC2)CCC[NH2+]1 ZINC000662690992 414741826 /nfs/dbraw/zinc/74/18/26/414741826.db2.gz FKVHEISDOFSCRQ-INIZCTEOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CCC[NH2+]1 ZINC000662730030 414747387 /nfs/dbraw/zinc/74/73/87/414747387.db2.gz ZAMNEIKMDDUKNL-INIZCTEOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN(C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857211 414850335 /nfs/dbraw/zinc/85/03/35/414850335.db2.gz IAASZIGVKKCVAM-INIZCTEOSA-N 2 0 296.459 0.684 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189897 260153869 /nfs/dbraw/zinc/15/38/69/260153869.db2.gz HBUUJGBCBSBERK-UHFFFAOYSA-N 2 0 282.388 0.320 20 30 CCEDRP C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1=CC[N@H+](C)CC1 ZINC000516922088 260281712 /nfs/dbraw/zinc/28/17/12/260281712.db2.gz IEQNLCBQHWZHKV-UKRRQHHQSA-N 2 0 280.416 0.433 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000337684703 262466065 /nfs/dbraw/zinc/46/60/65/262466065.db2.gz ICNBYHZFDCTCBN-UHFFFAOYSA-N 2 0 266.389 0.642 20 30 CCEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632910 267027224 /nfs/dbraw/zinc/02/72/24/267027224.db2.gz GYAFATGXAYFRPQ-KGLIPLIRSA-N 2 0 280.416 0.878 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000367665798 267106964 /nfs/dbraw/zinc/10/69/64/267106964.db2.gz LYDKNAWOMVDRCS-CYBMUJFWSA-N 2 0 267.373 0.132 20 30 CCEDRP COc1cccc(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000178990934 329203576 /nfs/dbraw/zinc/20/35/76/329203576.db2.gz DJRZWVRAGZADCK-ZDUSSCGKSA-N 2 0 289.383 0.422 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262472582 330015662 /nfs/dbraw/zinc/01/56/62/330015662.db2.gz PFAVBQXVXGHADN-HIFPTAJRSA-N 2 0 268.405 0.943 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262481658 330016551 /nfs/dbraw/zinc/01/65/51/330016551.db2.gz RRKIYUFHGBVVGN-OLZOCXBDSA-N 2 0 268.405 0.754 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262581295 330022186 /nfs/dbraw/zinc/02/21/86/330022186.db2.gz QOCSEMRCDNIRDG-GXTWGEPZSA-N 2 0 280.416 0.815 20 30 CCEDRP CN1CC[NH+]=C1NCC1([NH+]2CCCC2)CCOCC1 ZINC000262639580 330024004 /nfs/dbraw/zinc/02/40/04/330024004.db2.gz HLDSAFOUPCTLTH-UHFFFAOYSA-N 2 0 266.389 0.522 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCCC1 ZINC000262758014 330029645 /nfs/dbraw/zinc/02/96/45/330029645.db2.gz IQFJSCFUUNCVGB-ZDUSSCGKSA-N 2 0 265.405 0.094 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262820715 330034015 /nfs/dbraw/zinc/03/40/15/330034015.db2.gz YDJWWMHHMIFBNU-NWDGAFQWSA-N 2 0 280.416 0.692 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(C)o1 ZINC000263025673 330039229 /nfs/dbraw/zinc/03/92/29/330039229.db2.gz ANUIKHORFWOMEE-NSHDSACASA-N 2 0 265.361 0.872 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000424077391 330221077 /nfs/dbraw/zinc/22/10/77/330221077.db2.gz NZVBHIUIMCFIRP-OLZOCXBDSA-N 2 0 260.341 0.824 20 30 CCEDRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424129642 330260036 /nfs/dbraw/zinc/26/00/36/330260036.db2.gz GJJPAGMKYKCLHH-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424162410 330307329 /nfs/dbraw/zinc/30/73/29/330307329.db2.gz CQWUTAXTNBANCN-WISYIIOYSA-N 2 0 252.362 0.510 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424175485 330315624 /nfs/dbraw/zinc/31/56/24/330315624.db2.gz QOVVEJPADPAMJG-GFCCVEGCSA-N 2 0 252.362 0.560 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C[NH3+])C1 ZINC000424177079 330317480 /nfs/dbraw/zinc/31/74/80/330317480.db2.gz PJQHQQVHRXZEFS-IJLUTSLNSA-N 2 0 252.362 0.593 20 30 CCEDRP CC(C)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424192539 330323912 /nfs/dbraw/zinc/32/39/12/330323912.db2.gz PEAXOPBIFAWUHB-ZDUSSCGKSA-N 2 0 266.389 0.997 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000490713561 332107298 /nfs/dbraw/zinc/10/72/98/332107298.db2.gz KUEXTYGUJJLVQV-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN1CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC000490933133 332130477 /nfs/dbraw/zinc/13/04/77/332130477.db2.gz CVIAAJNMLDVHCP-UHFFFAOYSA-N 2 0 274.368 0.784 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000491067065 332144367 /nfs/dbraw/zinc/14/43/67/332144367.db2.gz GFNWNPXGVIHOBQ-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000491067895 332144654 /nfs/dbraw/zinc/14/46/54/332144654.db2.gz LCIWYTXFJWLMKZ-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000491381526 332201201 /nfs/dbraw/zinc/20/12/01/332201201.db2.gz FXRTYGAVXVYTMK-ZIAGYGMSSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000491652797 332265522 /nfs/dbraw/zinc/26/55/22/332265522.db2.gz AZVPMXOGQRPZEO-CHWSQXEVSA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000491803935 332357967 /nfs/dbraw/zinc/35/79/67/332357967.db2.gz JXMLFTPYHQFOHS-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH+](C)C)CC1 ZINC000303724716 332948849 /nfs/dbraw/zinc/94/88/49/332948849.db2.gz ZYGOHDRJVXHXAZ-UHFFFAOYSA-N 2 0 299.419 0.463 20 30 CCEDRP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1=CC[N@H+](C)CC1 ZINC000516922086 333086529 /nfs/dbraw/zinc/08/65/29/333086529.db2.gz IEQNLCBQHWZHKV-DZGCQCFKSA-N 2 0 280.416 0.433 20 30 CCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC#Cc2ccccc2)CC1 ZINC000521994551 333229470 /nfs/dbraw/zinc/22/94/70/333229470.db2.gz DAFDGPYIYZIPFM-QGZVFWFLSA-N 2 0 287.407 0.236 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2CC[NH2+]CC2)CC1 ZINC000353588213 526420954 /nfs/dbraw/zinc/42/09/54/526420954.db2.gz JSTOVIJINZMGBP-UHFFFAOYSA-N 2 0 251.374 0.753 20 30 CCEDRP CO[C@@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)OC ZINC000796641727 581447067 /nfs/dbraw/zinc/44/70/67/581447067.db2.gz YYLOKZJRLHWKJG-KBPBESRZSA-N 2 0 256.390 0.923 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000764536757 582055478 /nfs/dbraw/zinc/05/54/78/582055478.db2.gz GSCHHOFDGRQOQB-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743340 612947634 /nfs/dbraw/zinc/94/76/34/612947634.db2.gz DJTSKLJHSURNIW-CQSZACIVSA-N 2 0 286.379 0.732 20 30 CCEDRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852792966 617177262 /nfs/dbraw/zinc/17/72/62/617177262.db2.gz KJDBSDNXJXPXIX-OCCSQVGLSA-N 2 0 263.385 0.718 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972734165 613090526 /nfs/dbraw/zinc/09/05/26/613090526.db2.gz WLTYHWCZYVVFOT-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831723303 613366613 /nfs/dbraw/zinc/36/66/13/613366613.db2.gz GDUQBTMLWLNMEI-GFCCVEGCSA-N 2 0 257.378 0.187 20 30 CCEDRP C#CC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000843268314 612965115 /nfs/dbraw/zinc/96/51/15/612965115.db2.gz HOARMKKFUPPEDX-CQSZACIVSA-N 2 0 291.395 0.411 20 30 CCEDRP C#CCCN1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900472866 613009258 /nfs/dbraw/zinc/00/92/58/613009258.db2.gz ATPFIZIUTMJCKH-INIZCTEOSA-N 2 0 293.411 0.001 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978677466 613041331 /nfs/dbraw/zinc/04/13/31/613041331.db2.gz LXZLMRLBQGZIBE-PHZGNYQRSA-N 2 0 289.423 0.646 20 30 CCEDRP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC000924023423 613067326 /nfs/dbraw/zinc/06/73/26/613067326.db2.gz XOVMXWUZDGOBKP-HNNXBMFYSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000818588893 613077472 /nfs/dbraw/zinc/07/74/72/613077472.db2.gz ITJSQUQOSFXQHZ-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000969660013 613117356 /nfs/dbraw/zinc/11/73/56/613117356.db2.gz MFTLDRJSDSAGNF-UKRRQHHQSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCF)C2)CC1 ZINC000939808596 613129609 /nfs/dbraw/zinc/12/96/09/613129609.db2.gz FTNXAIKKCZNUAG-UKRRQHHQSA-N 2 0 295.402 0.738 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000928654716 613136913 /nfs/dbraw/zinc/13/69/13/613136913.db2.gz AOTKUFGEVUBMTE-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981981956 613140379 /nfs/dbraw/zinc/14/03/79/613140379.db2.gz AKVCUNGCOFPMHG-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960836207 613320068 /nfs/dbraw/zinc/32/00/68/613320068.db2.gz JBHNIQNRGDTRRY-FICVDOATSA-N 2 0 280.331 0.628 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000907780947 613363864 /nfs/dbraw/zinc/36/38/64/613363864.db2.gz JRZSKDREUNPYDJ-HNNXBMFYSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254795 613365963 /nfs/dbraw/zinc/36/59/63/613365963.db2.gz ZUYZVQSOFPVVGE-AWEZNQCLSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000854641854 613366072 /nfs/dbraw/zinc/36/60/72/613366072.db2.gz GBTLXCMFPZSRMW-KGLIPLIRSA-N 2 0 281.400 0.426 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000827491912 613366085 /nfs/dbraw/zinc/36/60/85/613366085.db2.gz YDGFARLXEZCEBH-CYBMUJFWSA-N 2 0 253.390 0.903 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890072809 613366444 /nfs/dbraw/zinc/36/64/44/613366444.db2.gz XWYFXIFUISBHAC-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000876750975 613388049 /nfs/dbraw/zinc/38/80/49/613388049.db2.gz KYAHIKYVCQUWJC-VXGBXAGGSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866777 613388267 /nfs/dbraw/zinc/38/82/67/613388267.db2.gz XIELDKXJTNDIGA-HTQZYQBOSA-N 2 0 267.707 0.570 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000876526982 613389096 /nfs/dbraw/zinc/38/90/96/613389096.db2.gz NATISMCQJZEZHG-NSHDSACASA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876920430 613389322 /nfs/dbraw/zinc/38/93/22/613389322.db2.gz RHDASPMAFGKTMY-ZJUUUORDSA-N 2 0 261.753 0.033 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852793895 613409942 /nfs/dbraw/zinc/40/99/42/613409942.db2.gz IWLQZCOTRJJOKA-JSGCOSHPSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923411844 613591051 /nfs/dbraw/zinc/59/10/51/613591051.db2.gz SNIURNKXDPDVTP-STQMWFEESA-N 2 0 265.361 0.311 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397927 613615768 /nfs/dbraw/zinc/61/57/68/613615768.db2.gz SQSRQHIBQBTRBS-CHWSQXEVSA-N 2 0 251.374 0.657 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C2CC2)CC1 ZINC000828841759 613674319 /nfs/dbraw/zinc/67/43/19/613674319.db2.gz FXSFAUPCNHCOHM-ZDUSSCGKSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876756132 613675927 /nfs/dbraw/zinc/67/59/27/613675927.db2.gz ORYZEFWWKLWGCE-DGCLKSJQSA-N 2 0 269.364 0.701 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155640 613850952 /nfs/dbraw/zinc/85/09/52/613850952.db2.gz XIJHETRKAYJSAJ-GFCCVEGCSA-N 2 0 284.404 0.838 20 30 CCEDRP CC[NH+](CC)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858130 615012298 /nfs/dbraw/zinc/01/22/98/615012298.db2.gz QTNBITSQWORHAH-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884434604 615579723 /nfs/dbraw/zinc/57/97/23/615579723.db2.gz RBRXGGIOQFHOTL-DPWYMPPLSA-N 2 0 276.384 0.382 20 30 CCEDRP CC[C@H](C)[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864848 615668078 /nfs/dbraw/zinc/66/80/78/615668078.db2.gz JTSMLSUKHPIGGZ-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH+](C)C ZINC000870018090 615928348 /nfs/dbraw/zinc/92/83/48/615928348.db2.gz VPLPGJVXZNWZAR-HUUCEWRRSA-N 2 0 277.412 0.598 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000852887460 616197657 /nfs/dbraw/zinc/19/76/57/616197657.db2.gz AMGBOQDYIMHKQW-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C[NH2+]CCCN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876921947 616942302 /nfs/dbraw/zinc/94/23/02/616942302.db2.gz NLRFEGRBCXQJDQ-HNNXBMFYSA-N 2 0 286.379 0.813 20 30 CCEDRP COCC[N@@H+](CC(=O)NCCC#N)CC1CC[NH+](C)CC1 ZINC000879124394 616978969 /nfs/dbraw/zinc/97/89/69/616978969.db2.gz WJUVLALSVLIKPL-UHFFFAOYSA-N 2 0 296.415 0.306 20 30 CCEDRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876526283 617000266 /nfs/dbraw/zinc/00/02/66/617000266.db2.gz RQLIXCAADPHAKR-CJNGLKHVSA-N 2 0 298.390 0.813 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]12 ZINC001026348339 625408137 /nfs/dbraw/zinc/40/81/37/625408137.db2.gz FMUCTEAHAPMHQU-OWCLPIDISA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]12 ZINC001026348337 625408265 /nfs/dbraw/zinc/40/82/65/625408265.db2.gz FMUCTEAHAPMHQU-BZUAXINKSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023290695 622984903 /nfs/dbraw/zinc/98/49/03/622984903.db2.gz AGFROWWCGIUNLE-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023750009 623126594 /nfs/dbraw/zinc/12/65/94/623126594.db2.gz FCGSMJONJOCHFE-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019771564 623903349 /nfs/dbraw/zinc/90/33/49/623903349.db2.gz SBRPAGRMNRAUHC-NEPJUHHUSA-N 2 0 271.792 0.881 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000234254017 624809751 /nfs/dbraw/zinc/80/97/51/624809751.db2.gz KTRRGMFNMJBDQD-HNNXBMFYSA-N 2 0 277.368 0.759 20 30 CCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000261875190 624837838 /nfs/dbraw/zinc/83/78/38/624837838.db2.gz PRJJWVMQJAHRCY-NWDGAFQWSA-N 2 0 254.378 0.412 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027443811 625885570 /nfs/dbraw/zinc/88/55/70/625885570.db2.gz OYBNRZYXNHYZEH-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP N#C[C@@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000903564258 634608675 /nfs/dbraw/zinc/60/86/75/634608675.db2.gz SCNGFCCPLBMFTI-LBPRGKRZSA-N 2 0 250.346 0.044 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@]1(C)CCCO1 ZINC000261802883 631621106 /nfs/dbraw/zinc/62/11/06/631621106.db2.gz RPDIHDURVXQWJW-GXTWGEPZSA-N 2 0 268.405 0.672 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303982769 632502742 /nfs/dbraw/zinc/50/27/42/632502742.db2.gz QPMLJTQAANOIGA-GFCCVEGCSA-N 2 0 254.378 0.578 20 30 CCEDRP CCCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304756741 632515554 /nfs/dbraw/zinc/51/55/54/632515554.db2.gz NYINALFBTKLJFB-UHFFFAOYSA-N 2 0 268.405 0.946 20 30 CCEDRP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261979635 633112535 /nfs/dbraw/zinc/11/25/35/633112535.db2.gz ONNZDOOLQZVFGK-DGCLKSJQSA-N 2 0 295.431 0.159 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989523399 633324731 /nfs/dbraw/zinc/32/47/31/633324731.db2.gz SHHCYRXOICOFOX-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCF)C[C@H]2C)CC1 ZINC000989829684 633358909 /nfs/dbraw/zinc/35/89/09/633358909.db2.gz UXLQHKKQKXVMCR-UKRRQHHQSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009512135 650146543 /nfs/dbraw/zinc/14/65/43/650146543.db2.gz ASCIZBSIHIULQT-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010382616 650212892 /nfs/dbraw/zinc/21/28/92/650212892.db2.gz LJMFSRSUBNQDRE-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015793367 638114537 /nfs/dbraw/zinc/11/45/37/638114537.db2.gz UEVOBKQGSFVMBT-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995828460 638802260 /nfs/dbraw/zinc/80/22/60/638802260.db2.gz YOXRIYIFQRJFBV-MCIONIFRSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996617543 638824968 /nfs/dbraw/zinc/82/49/68/638824968.db2.gz BQTKWSFQLDUULG-GJZGRUSLSA-N 2 0 291.395 0.063 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997009137 638848160 /nfs/dbraw/zinc/84/81/60/638848160.db2.gz OZOWUFXXTZYTDG-JSGCOSHPSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008932 638848354 /nfs/dbraw/zinc/84/83/54/638848354.db2.gz NFWCVHFKEYNQNB-OCCSQVGLSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997860868 638886376 /nfs/dbraw/zinc/88/63/76/638886376.db2.gz MSKZHDJXCWIHBH-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001000183423 639049438 /nfs/dbraw/zinc/04/94/38/639049438.db2.gz JTSDGJLQQLPPNW-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000705037 639158950 /nfs/dbraw/zinc/15/89/50/639158950.db2.gz AESIDVLFHZHPKU-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC)C2)CC1 ZINC001000991174 639211891 /nfs/dbraw/zinc/21/18/91/639211891.db2.gz HCWJVDJDVIJWFY-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001113758 639236624 /nfs/dbraw/zinc/23/66/24/639236624.db2.gz SNKHPFOJMGKOGX-UHFFFAOYSA-N 2 0 275.396 0.710 20 30 CCEDRP C[C@H]1CC(=NNCCCN2CCOCC2)CC[N@@H+]1C ZINC000799486653 640576786 /nfs/dbraw/zinc/57/67/86/640576786.db2.gz JVDXPVYWEXBTJJ-ZDUSSCGKSA-N 2 0 268.405 0.768 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001016333640 650720055 /nfs/dbraw/zinc/72/00/55/650720055.db2.gz YEYNPKCZVIABPW-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016970328 650775114 /nfs/dbraw/zinc/77/51/14/650775114.db2.gz TWMHLQGMCTWHJB-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@@H]([NH3+])c1ccccc1 ZINC000841850138 642843317 /nfs/dbraw/zinc/84/33/17/642843317.db2.gz ZCINVSDZDLCRQR-SCUASFONSA-N 2 0 272.352 0.550 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000843462629 643066954 /nfs/dbraw/zinc/06/69/54/643066954.db2.gz ROAGTPLAFNQLPV-ZFWWWQNUSA-N 2 0 298.390 0.536 20 30 CCEDRP C[C@H]1C[N@H+](CCCNC2=[NH+]CCN2C)CCCO1 ZINC000849022623 643703029 /nfs/dbraw/zinc/70/30/29/643703029.db2.gz NVMDNXHWEMWDRL-LBPRGKRZSA-N 2 0 254.378 0.378 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001019130940 650940600 /nfs/dbraw/zinc/94/06/00/650940600.db2.gz DEDLAUXWYAUEEW-ZDUSSCGKSA-N 2 0 295.346 0.705 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001019274616 650955275 /nfs/dbraw/zinc/95/52/75/650955275.db2.gz IFWNZPGPOYHKGD-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC[NH3+] ZINC000876504882 646613466 /nfs/dbraw/zinc/61/34/66/646613466.db2.gz AHBXDCIWGMBMFU-ZDUSSCGKSA-N 2 0 258.325 0.210 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876803152 646670876 /nfs/dbraw/zinc/67/08/76/646670876.db2.gz UNMVZESXFCALLF-UKRRQHHQSA-N 2 0 284.363 0.103 20 30 CCEDRP C[C@H](CC[NH+](C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884201891 647667693 /nfs/dbraw/zinc/66/76/93/647667693.db2.gz KIUMKJJIEGWQIN-UQJCBBSYSA-N 2 0 278.400 0.582 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C)C[NH2+]1 ZINC000884246392 647678832 /nfs/dbraw/zinc/67/88/32/647678832.db2.gz PWPZQHOJGBOMIT-ZZWMRVEDSA-N 2 0 276.384 0.335 20 30 CCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884338286 647711038 /nfs/dbraw/zinc/71/10/38/647711038.db2.gz CVRSNWXTVOPFFO-OOLXCHQQSA-N 2 0 278.400 0.615 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000303709097 649823902 /nfs/dbraw/zinc/82/39/02/649823902.db2.gz NQTIEIQXCKCHPN-LLVKDONJSA-N 2 0 256.419 0.834 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)COC)C1 ZINC000303883941 649826101 /nfs/dbraw/zinc/82/61/01/649826101.db2.gz MMDUQZIIJSBYTA-NWDGAFQWSA-N 2 0 256.394 0.658 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000303907828 649826854 /nfs/dbraw/zinc/82/68/54/649826854.db2.gz XDAHANFDWDVCRW-OLZOCXBDSA-N 2 0 268.405 0.896 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000303968529 649827260 /nfs/dbraw/zinc/82/72/60/649827260.db2.gz ARXWOXSASNNXDH-GFCCVEGCSA-N 2 0 283.420 0.230 20 30 CCEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)N1CC[NH+](C)CC1 ZINC000303973031 649827479 /nfs/dbraw/zinc/82/74/79/649827479.db2.gz GJYFDCNDHMRPRE-LLVKDONJSA-N 2 0 255.410 0.325 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000304013768 649828763 /nfs/dbraw/zinc/82/87/63/649828763.db2.gz CBJXRSKLZTZYNF-OLZOCXBDSA-N 2 0 268.405 0.944 20 30 CCEDRP CCNC(NCCN1CCC([NH+](C)C)CC1)=[NH+]CC ZINC000304752275 649838292 /nfs/dbraw/zinc/83/82/92/649838292.db2.gz XVBGTHNLHQQTMD-UHFFFAOYSA-N 2 0 269.437 0.587 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267438 805589876 /nfs/dbraw/zinc/58/98/76/805589876.db2.gz COYRWJJQBDBLHS-UHFFFAOYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266323178 790504912 /nfs/dbraw/zinc/50/49/12/790504912.db2.gz WGDYODQAOFLVFT-UONOGXRCSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894684 791325074 /nfs/dbraw/zinc/32/50/74/791325074.db2.gz JHSJNXLHRPKBAW-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001266948885 791385080 /nfs/dbraw/zinc/38/50/80/791385080.db2.gz QRJWBOARZOJDIQ-ZDUSSCGKSA-N 2 0 283.416 0.625 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267129376 791574080 /nfs/dbraw/zinc/57/40/80/791574080.db2.gz OEMIFIZCOPVAGX-RRFJBIMHSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267226312 791703903 /nfs/dbraw/zinc/70/39/03/791703903.db2.gz RSJKTQJXHCBKQX-UHFFFAOYSA-N 2 0 251.374 0.706 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267251596 793245038 /nfs/dbraw/zinc/24/50/38/793245038.db2.gz LKISJRCMWWZBGT-OAHLLOKOSA-N 2 0 297.443 0.661 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001278092888 806660278 /nfs/dbraw/zinc/66/02/78/806660278.db2.gz DUFJJBSHWIZUTP-GFCCVEGCSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001122002245 799119305 /nfs/dbraw/zinc/11/93/05/799119305.db2.gz BLLQBHFSDNLGQD-CQSZACIVSA-N 2 0 263.385 0.544 20 30 CCEDRP CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+](C)C ZINC001122270569 799183735 /nfs/dbraw/zinc/18/37/35/799183735.db2.gz NXENNTRTWNVSPF-NWDGAFQWSA-N 2 0 270.377 0.090 20 30 CCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001278165164 806737244 /nfs/dbraw/zinc/73/72/44/806737244.db2.gz UIVHQAIPBFCWOO-LSDHHAIUSA-N 2 0 295.427 0.339 20 30 CCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CCOC)CC1 ZINC001278176922 806741182 /nfs/dbraw/zinc/74/11/82/806741182.db2.gz DTTCJFWIARGSJE-UHFFFAOYSA-N 2 0 295.427 0.511 20 30 CCEDRP C=CCn1cc(CN(C)CCN2CC[NH+](C)CC2)cn1 ZINC001139772933 799841835 /nfs/dbraw/zinc/84/18/35/799841835.db2.gz UWEVAEZFYCPGJB-UHFFFAOYSA-N 2 0 277.416 0.748 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203010629 799886393 /nfs/dbraw/zinc/88/63/93/799886393.db2.gz UXFNITCSUKYPIL-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715821 800362950 /nfs/dbraw/zinc/36/29/50/800362950.db2.gz MQCDDEYOCRRRLS-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H](C)F)CC1 ZINC001152323726 800509308 /nfs/dbraw/zinc/50/93/08/800509308.db2.gz COULMZXWMMQVIL-ZDUSSCGKSA-N 2 0 283.391 0.786 20 30 CCEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156201216 801128201 /nfs/dbraw/zinc/12/82/01/801128201.db2.gz YGNNCCRXNMTKNR-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[C@@](F)(C[NH3+])C1)C[NH2+]CCC2 ZINC001157809047 801491253 /nfs/dbraw/zinc/49/12/53/801491253.db2.gz NGFCOFPLBDARHZ-OAHLLOKOSA-N 2 0 289.358 0.866 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CCC([NH3+])CC1 ZINC001160510947 801955385 /nfs/dbraw/zinc/95/53/85/801955385.db2.gz ICCNAWFWOKBXFA-HNNXBMFYSA-N 2 0 286.379 0.768 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164449236 802743527 /nfs/dbraw/zinc/74/35/27/802743527.db2.gz FKBKVDMHHRXXOE-CQSZACIVSA-N 2 0 265.401 0.838 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166676677 802935259 /nfs/dbraw/zinc/93/52/59/802935259.db2.gz AZULNQHJYHMIRI-AWEZNQCLSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616043 803037769 /nfs/dbraw/zinc/03/77/69/803037769.db2.gz TXCZCDCOZHFTQV-ZIAGYGMSSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874670 803297904 /nfs/dbraw/zinc/29/79/04/803297904.db2.gz BJQIIRTZWNDDSZ-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208062759 803484691 /nfs/dbraw/zinc/48/46/91/803484691.db2.gz FZVUEOTUALNNKO-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209634661 803618839 /nfs/dbraw/zinc/61/88/39/803618839.db2.gz HZIQWODPAVSMDE-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209643497 803620087 /nfs/dbraw/zinc/62/00/87/803620087.db2.gz ZFMBACJEXUMMKD-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082514 803667513 /nfs/dbraw/zinc/66/75/13/803667513.db2.gz SXOLGULKYKLEDD-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211276416 803675977 /nfs/dbraw/zinc/67/59/77/803675977.db2.gz GGRQIDDYSPKKSL-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000402161726 803812735 /nfs/dbraw/zinc/81/27/35/803812735.db2.gz QFFXAYHJVJDKJZ-AWEZNQCLSA-N 2 0 275.352 0.377 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540647 803818249 /nfs/dbraw/zinc/81/82/49/803818249.db2.gz PAFOSELXHPOIAX-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP Cc1noc2nc(O[C@@H]3C[NH2+]C[C@H]3C#N)c3c(c12)CC[NH2+]C3 ZINC001218200820 803936555 /nfs/dbraw/zinc/93/65/55/803936555.db2.gz NPVKBAHSDCYFFP-BXKDBHETSA-N 2 0 299.334 0.667 20 30 CCEDRP Cc1noc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1C#N ZINC001218503401 803969200 /nfs/dbraw/zinc/96/92/00/803969200.db2.gz NFSBTPWSTOGSTL-VIFPVBQESA-N 2 0 265.317 0.640 20 30 CCEDRP N#CCc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ccc1F ZINC001219518728 804337513 /nfs/dbraw/zinc/33/75/13/804337513.db2.gz WAJAWWWYWXJQLK-GFCCVEGCSA-N 2 0 288.326 0.639 20 30 CCEDRP N#C[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001219558121 804348687 /nfs/dbraw/zinc/34/86/87/804348687.db2.gz KKMPYKJNOFTNSE-CHWSQXEVSA-N 2 0 270.336 0.176 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815606 804427103 /nfs/dbraw/zinc/42/71/03/804427103.db2.gz APDDFDJYOKIIJI-KGLIPLIRSA-N 2 0 281.400 0.208 20 30 CCEDRP C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1cccc(C#N)c1 ZINC001220047312 804484137 /nfs/dbraw/zinc/48/41/37/804484137.db2.gz ZTVSRBAYGDKISR-FZMZJTMJSA-N 2 0 284.363 0.544 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237411 804545202 /nfs/dbraw/zinc/54/52/02/804545202.db2.gz VHIKBPUUCPURBW-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799068 804670050 /nfs/dbraw/zinc/67/00/50/804670050.db2.gz NGFHUCMJYYYHST-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)Cc1cncn1C ZINC001272152000 815031186 /nfs/dbraw/zinc/03/11/86/815031186.db2.gz LKDRNFNUDJIDKG-UHFFFAOYSA-N 2 0 292.383 0.003 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220868846 804685295 /nfs/dbraw/zinc/68/52/95/804685295.db2.gz WULGUTFIBLZLCP-STQMWFEESA-N 2 0 268.405 0.209 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001220868377 804685352 /nfs/dbraw/zinc/68/53/52/804685352.db2.gz HPYIEGYZZJUTEH-SHWKFHJASA-N 2 0 295.427 0.631 20 30 CCEDRP N#Cc1ccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001221089767 804730667 /nfs/dbraw/zinc/73/06/67/804730667.db2.gz VOXKDNBZXIPAHP-LBPRGKRZSA-N 2 0 275.356 0.416 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221291937 804767116 /nfs/dbraw/zinc/76/71/16/804767116.db2.gz AJYHBWNVTCVBOQ-HIFRSBDPSA-N 2 0 295.431 0.181 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221292518 804767895 /nfs/dbraw/zinc/76/78/95/804767895.db2.gz NRWNUUIAOUXCEW-GXTWGEPZSA-N 2 0 266.389 0.758 20 30 CCEDRP N#Cc1cccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)n1 ZINC001222100089 804871008 /nfs/dbraw/zinc/87/10/08/804871008.db2.gz UWEUTDNSCRGLKJ-UHFFFAOYSA-N 2 0 271.368 0.481 20 30 CCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001277074666 805163840 /nfs/dbraw/zinc/16/38/40/805163840.db2.gz MAIWKVAMJPUDCI-MGPQQGTHSA-N 2 0 265.401 0.999 20 30 CCEDRP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277148370 805277078 /nfs/dbraw/zinc/27/70/78/805277078.db2.gz OMOVUWCSNCOIOI-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245988822 807108417 /nfs/dbraw/zinc/10/84/17/807108417.db2.gz WWACKAHIWGPGPE-QWHCGFSZSA-N 2 0 253.390 0.387 20 30 CCEDRP N#CC1CCC([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CC1 ZINC001246080958 807145826 /nfs/dbraw/zinc/14/58/26/807145826.db2.gz HBQNRIIBNNPYGD-IFWUJCSASA-N 2 0 255.337 0.721 20 30 CCEDRP N#Cc1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cs1 ZINC001246391529 807240847 /nfs/dbraw/zinc/24/08/47/807240847.db2.gz BIMDKHRFKXJCFY-LLVKDONJSA-N 2 0 262.382 0.803 20 30 CCEDRP N#CC1CCC([NH2+]CCCC[C@H]([NH3+])C(N)=O)CC1 ZINC001246417983 807248783 /nfs/dbraw/zinc/24/87/83/807248783.db2.gz PWYRLVOAZPQJTR-MCIGGMRASA-N 2 0 252.362 0.641 20 30 CCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278582630 807604777 /nfs/dbraw/zinc/60/47/77/807604777.db2.gz NJSGOHDOORWPQI-GDBMZVCRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001251857794 807725144 /nfs/dbraw/zinc/72/51/44/807725144.db2.gz KHXKOYMLPJXOIB-OAHLLOKOSA-N 2 0 289.379 0.523 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001251896166 807739733 /nfs/dbraw/zinc/73/97/33/807739733.db2.gz BZQFDTBSSHUDKD-HNNXBMFYSA-N 2 0 268.401 0.709 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252497438 807894729 /nfs/dbraw/zinc/89/47/29/807894729.db2.gz RHRHWLNTPPTYNX-HNNXBMFYSA-N 2 0 284.400 0.250 20 30 CCEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278787913 808244153 /nfs/dbraw/zinc/24/41/53/808244153.db2.gz XRZRKDHEMSZYPM-GOEBONIOSA-N 2 0 293.411 0.047 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278827435 808298572 /nfs/dbraw/zinc/29/85/72/808298572.db2.gz NKRBLCDPGKTYEM-KBPBESRZSA-N 2 0 283.416 0.313 20 30 CCEDRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC001261502145 809000424 /nfs/dbraw/zinc/00/04/24/809000424.db2.gz BABGFYQZZYQNEH-RWMBFGLXSA-N 2 0 266.389 0.997 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC001263101619 809444188 /nfs/dbraw/zinc/44/41/88/809444188.db2.gz XEDRGTDNHICPSZ-LBPRGKRZSA-N 2 0 253.390 0.692 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001263995747 809619889 /nfs/dbraw/zinc/61/98/89/809619889.db2.gz KLMNEHYBXINOBJ-JHJVBQTASA-N 2 0 251.374 0.561 20 30 CCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001264080644 809628495 /nfs/dbraw/zinc/62/84/95/809628495.db2.gz SPIOWFWFQZCELE-CABCVRRESA-N 2 0 295.427 0.245 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001265358326 809763746 /nfs/dbraw/zinc/76/37/46/809763746.db2.gz GULFCRRXWLXXKO-OAHLLOKOSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001265445072 809778517 /nfs/dbraw/zinc/77/85/17/809778517.db2.gz FGHLYCAXBMDUPM-NSHDSACASA-N 2 0 259.781 0.881 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012359 809917231 /nfs/dbraw/zinc/91/72/31/809917231.db2.gz BFONFBSVIVSAGI-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001266189451 809957845 /nfs/dbraw/zinc/95/78/45/809957845.db2.gz DRJMZMHOKOTTDP-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835929 815361955 /nfs/dbraw/zinc/36/19/55/815361955.db2.gz WIYMSXHBWAZFTJ-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001267428834 811298330 /nfs/dbraw/zinc/29/83/30/811298330.db2.gz DMEDMNJSHOKSEG-UHFFFAOYSA-N 2 0 253.390 0.646 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267681382 811646274 /nfs/dbraw/zinc/64/62/74/811646274.db2.gz CVIFZOKBHTYEQM-CQSZACIVSA-N 2 0 283.391 0.738 20 30 CCEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220043103 811710543 /nfs/dbraw/zinc/71/05/43/811710543.db2.gz FMUOUTYDHLILMW-ZDUSSCGKSA-N 2 0 298.431 0.244 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167749403 811878621 /nfs/dbraw/zinc/87/86/21/811878621.db2.gz WXNCPYOEVJWAQC-UHFFFAOYSA-N 2 0 289.423 0.982 20 30 CCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001279809393 811879981 /nfs/dbraw/zinc/87/99/81/811879981.db2.gz HNBRVAIDGCFZPV-GJZGRUSLSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267970386 811905303 /nfs/dbraw/zinc/90/53/03/811905303.db2.gz PZCSWVTWESESQU-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027931760 812149687 /nfs/dbraw/zinc/14/96/87/812149687.db2.gz KCWAMDKJWHAUKG-ZIAGYGMSSA-N 2 0 286.379 0.974 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112609 812286888 /nfs/dbraw/zinc/28/68/88/812286888.db2.gz WBYLAEZOQZYLEC-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268322772 812487470 /nfs/dbraw/zinc/48/74/70/812487470.db2.gz ZPHHSNJKKYDNMA-CABCVRRESA-N 2 0 297.443 0.751 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447195 812710358 /nfs/dbraw/zinc/71/03/58/812710358.db2.gz NMJWBQMLHHZPKS-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001269453543 813375089 /nfs/dbraw/zinc/37/50/89/813375089.db2.gz DVHMIFGHGXOHIE-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001269492871 813390596 /nfs/dbraw/zinc/39/05/96/813390596.db2.gz QEMNDDAZHVRDSH-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758523 813448496 /nfs/dbraw/zinc/44/84/96/813448496.db2.gz QWLVATUQNJRPLS-HUUCEWRRSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001269970464 813571605 /nfs/dbraw/zinc/57/16/05/813571605.db2.gz CVGHMFDYWUMDPL-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001270436292 813763272 /nfs/dbraw/zinc/76/32/72/813763272.db2.gz MKAIWFVIKPXFDD-CHWSQXEVSA-N 2 0 274.368 0.421 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168022393 814206902 /nfs/dbraw/zinc/20/69/02/814206902.db2.gz ODYPAAQHTFFVCD-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271160682 814252825 /nfs/dbraw/zinc/25/28/25/814252825.db2.gz XKUPSWJJDVBECD-ZFWWWQNUSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271751205 814565866 /nfs/dbraw/zinc/56/58/66/814565866.db2.gz MJZIRGTXPJVWRE-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945461 816019304 /nfs/dbraw/zinc/01/93/04/816019304.db2.gz YGWWCPQGTSAXTN-MCIONIFRSA-N 2 0 263.385 0.398 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088859602 816089655 /nfs/dbraw/zinc/08/96/55/816089655.db2.gz GWLMQKNGJPXUMU-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031683847 817243578 /nfs/dbraw/zinc/24/35/78/817243578.db2.gz AHKBKMVEALVDTE-UONOGXRCSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976692 817515167 /nfs/dbraw/zinc/51/51/67/817515167.db2.gz QSCMTWJBMUZHRV-JSGCOSHPSA-N 2 0 265.401 0.808 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052252455 818176778 /nfs/dbraw/zinc/17/67/78/818176778.db2.gz UDIHRCDYVXRHDU-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032960315 818388599 /nfs/dbraw/zinc/38/85/99/818388599.db2.gz QWEGQXUAGLQDJK-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033204913 818650165 /nfs/dbraw/zinc/65/01/65/818650165.db2.gz APOKCWKPEYVKHS-ZFWWWQNUSA-N 2 0 286.379 0.611 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875351 818971940 /nfs/dbraw/zinc/97/19/40/818971940.db2.gz RGWTYNYEYXTMIL-RBSFLKMASA-N 2 0 295.427 0.814 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCO)C1 ZINC001034250365 819135063 /nfs/dbraw/zinc/13/50/63/819135063.db2.gz SVCXEUIMZZXHIE-GJZGRUSLSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001036160674 819700933 /nfs/dbraw/zinc/70/09/33/819700933.db2.gz LZHKMIPBTRJMNG-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782537 820636434 /nfs/dbraw/zinc/63/64/34/820636434.db2.gz PNSOIFJCUMJAFA-TZMCWYRMSA-N 2 0 276.384 0.975 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001082544271 820995478 /nfs/dbraw/zinc/99/54/78/820995478.db2.gz TUHNNMRYNHNJIL-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871867 821466642 /nfs/dbraw/zinc/46/66/42/821466642.db2.gz LEVSVDVMICWFKH-ZIAGYGMSSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001085422913 821681726 /nfs/dbraw/zinc/68/17/26/821681726.db2.gz NLCBNRPRMNFCJN-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086137246 822126021 /nfs/dbraw/zinc/12/60/21/822126021.db2.gz WZRQOTDQQLCEFS-OKILXGFUSA-N 2 0 275.396 0.732 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086371686 822229212 /nfs/dbraw/zinc/22/92/12/822229212.db2.gz SNUFQVULSGAKHN-ZQDZILKHSA-N 2 0 293.411 0.520 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086478777 822273958 /nfs/dbraw/zinc/27/39/58/822273958.db2.gz ZMGQXNLJQYDZTP-AAVRWANBSA-N 2 0 263.385 0.302 20 30 CCEDRP C=C[C@@H](CO)Nc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001169781502 836443434 /nfs/dbraw/zinc/44/34/34/836443434.db2.gz XEGXPIGXUJXMLD-NSHDSACASA-N 2 0 258.325 0.980 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363030 836522744 /nfs/dbraw/zinc/52/27/44/836522744.db2.gz DLIWGDPWRDWDPF-OAHLLOKOSA-N 2 0 293.411 0.359 20 30 CCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157739324 837349724 /nfs/dbraw/zinc/34/97/24/837349724.db2.gz GUJRSZCQZWJJBH-KGYLQXTDSA-N 2 0 255.337 0.569 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374540 838072057 /nfs/dbraw/zinc/07/20/57/838072057.db2.gz FWERMGVUUKIZIP-UHFFFAOYSA-N 2 0 288.351 0.856 20 30 CCEDRP C#CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815800 838238767 /nfs/dbraw/zinc/23/87/67/838238767.db2.gz UOLNDCFBIGAEEJ-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185266022 844389116 /nfs/dbraw/zinc/38/91/16/844389116.db2.gz XNMWZXAPWXWSEB-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118456 839167046 /nfs/dbraw/zinc/16/70/46/839167046.db2.gz NUIMMKZAJDFOPV-UHFFFAOYSA-N 2 0 279.388 0.340 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001136659923 839694617 /nfs/dbraw/zinc/69/46/17/839694617.db2.gz VUTFBPITJIGQQA-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731655 839760917 /nfs/dbraw/zinc/76/09/17/839760917.db2.gz UMSBXRKGLFCZMD-KBPBESRZSA-N 2 0 293.411 0.210 20 30 CCEDRP C=C(Cl)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171198680 840083308 /nfs/dbraw/zinc/08/33/08/840083308.db2.gz RRHFCXUSOZJCCY-UHFFFAOYSA-N 2 0 277.796 0.413 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146704721 840343702 /nfs/dbraw/zinc/34/37/02/840343702.db2.gz HPUAPKOMFAWHGG-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001176925773 842453203 /nfs/dbraw/zinc/45/32/03/842453203.db2.gz BFPIBDMWTXABGF-UHFFFAOYSA-N 2 0 275.396 0.451 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOCC)CC1 ZINC001176925959 842453615 /nfs/dbraw/zinc/45/36/15/842453615.db2.gz FDRQQAQGECDIBJ-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001178817946 842931329 /nfs/dbraw/zinc/93/13/29/842931329.db2.gz OCJGRTPQTWXEJK-IHRRRGAJSA-N 2 0 283.391 0.879 20 30 CCEDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C ZINC001179762963 843047859 /nfs/dbraw/zinc/04/78/59/843047859.db2.gz CXMFEPJYYAKVIH-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179983274 843091189 /nfs/dbraw/zinc/09/11/89/843091189.db2.gz SUXXRLCWFGLUTN-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002766 846195419 /nfs/dbraw/zinc/19/54/19/846195419.db2.gz YUELTDQJPBZHKI-CABCVRRESA-N 2 0 293.411 0.121 20 30 CCEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155502 846223274 /nfs/dbraw/zinc/22/32/74/846223274.db2.gz UJQRNASTTKKFRB-GJZGRUSLSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200689068 847681146 /nfs/dbraw/zinc/68/11/46/847681146.db2.gz ZTPFUXHYLLTZSC-HUUCEWRRSA-N 2 0 293.411 0.167 20 30 CCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001273931253 847865734 /nfs/dbraw/zinc/86/57/34/847865734.db2.gz ZUTPCMHMMBVHET-GOEBONIOSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114489017 848084665 /nfs/dbraw/zinc/08/46/65/848084665.db2.gz XLOYSSSCBCAZEA-WDNDVIMCSA-N 2 0 277.412 0.786 20 30 CCEDRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CCCC#N)C2)C1=O ZINC001274040526 848314674 /nfs/dbraw/zinc/31/46/74/848314674.db2.gz UFXWOBYLISLMHM-HNNXBMFYSA-N 2 0 278.400 0.776 20 30 CCEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001274578304 848509686 /nfs/dbraw/zinc/50/96/86/848509686.db2.gz HEINEBAIIVVXDT-XVWMLYKFSA-N 2 0 295.427 0.793 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001275278939 848683413 /nfs/dbraw/zinc/68/34/13/848683413.db2.gz LYCHXPXSURYEAT-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC)[NH+](C)C ZINC001275858924 848850775 /nfs/dbraw/zinc/85/07/75/848850775.db2.gz SERPRIVTUNCNIT-ZIAGYGMSSA-N 2 0 283.416 0.413 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1CC ZINC001037956254 849612369 /nfs/dbraw/zinc/61/23/69/849612369.db2.gz CBCFSYYBULHFPC-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041141573 850384153 /nfs/dbraw/zinc/38/41/53/850384153.db2.gz OOLRCUSCEYIHBI-GOEBONIOSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046189245 851411991 /nfs/dbraw/zinc/41/19/91/851411991.db2.gz KWEZESDRSGYRAC-JSGCOSHPSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046189244 851412171 /nfs/dbraw/zinc/41/21/71/851412171.db2.gz KWEZESDRSGYRAC-GXTWGEPZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046189249 851413005 /nfs/dbraw/zinc/41/30/05/851413005.db2.gz KWEZESDRSGYRAC-TZMCWYRMSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046833252 851625907 /nfs/dbraw/zinc/62/59/07/851625907.db2.gz DXNMQWPHXQZFJV-JSGCOSHPSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001047386019 851745423 /nfs/dbraw/zinc/74/54/23/851745423.db2.gz JRVOYQPMQOZTNF-XGUBFFRZSA-N 2 0 295.427 0.406 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049369477 852243626 /nfs/dbraw/zinc/24/36/26/852243626.db2.gz OXMQSTRJAKQSBK-RBSFLKMASA-N 2 0 275.396 0.779 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001071796169 854294954 /nfs/dbraw/zinc/29/49/54/854294954.db2.gz QBINWEUFWLRSCR-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072541986 854411327 /nfs/dbraw/zinc/41/13/27/854411327.db2.gz IBBSXDRCWVRCPK-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP CNC(NCC1(O)CC[NH+](Cc2ccccc2)CC1)=[NH+]C ZINC000397683284 854439159 /nfs/dbraw/zinc/43/91/59/854439159.db2.gz MMUGBMJTWJPMDC-UHFFFAOYSA-N 2 0 290.411 0.808 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941504 854498363 /nfs/dbraw/zinc/49/83/63/854498363.db2.gz SZITVWBZKPSZDQ-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106013 854812350 /nfs/dbraw/zinc/81/23/50/854812350.db2.gz GDFNQXBKJVZNNO-AVGNSLFASA-N 2 0 251.374 0.703 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100079961 855094410 /nfs/dbraw/zinc/09/44/10/855094410.db2.gz BFBFZUZHUUIZPZ-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083242 855096702 /nfs/dbraw/zinc/09/67/02/855096702.db2.gz PAWFERNQUGOIKD-HUUCEWRRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083107 855097169 /nfs/dbraw/zinc/09/71/69/855097169.db2.gz NGERIRQMMUASHM-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100185674 855113713 /nfs/dbraw/zinc/11/37/13/855113713.db2.gz KAGSBXQITNIYCE-RUXDESIVSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638598 855201222 /nfs/dbraw/zinc/20/12/22/855201222.db2.gz UMTSEPCMPOUOBZ-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683717 855209616 /nfs/dbraw/zinc/20/96/16/855209616.db2.gz OIRQGUSNSUPXEN-BPCQOVAHSA-N 2 0 253.390 0.997 20 30 CCEDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100829974 855230487 /nfs/dbraw/zinc/23/04/87/855230487.db2.gz VIOBJMYKLJKNAI-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001118201768 856199350 /nfs/dbraw/zinc/19/93/50/856199350.db2.gz SHOVZIKHSYWIRK-DTWKUNHWSA-N 2 0 293.396 0.919 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001323482997 912368931 /nfs/dbraw/zinc/36/89/31/912368931.db2.gz VMPASWDDLPVUHA-UHFFFAOYSA-N 2 0 275.396 0.877 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001323860724 912547780 /nfs/dbraw/zinc/54/77/80/912547780.db2.gz UQDBTUZABSKFSJ-INIZCTEOSA-N 2 0 277.412 0.886 20 30 CCEDRP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283759400 892363609 /nfs/dbraw/zinc/36/36/09/892363609.db2.gz GXSQONVANXHSIQ-MGPQQGTHSA-N 2 0 283.416 0.360 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001481306452 892558868 /nfs/dbraw/zinc/55/88/68/892558868.db2.gz RTCTXIUOAOGYKL-ZDUSSCGKSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001482433544 893978053 /nfs/dbraw/zinc/97/80/53/893978053.db2.gz KUJZZQRWHYZPLH-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482628175 894429211 /nfs/dbraw/zinc/42/92/11/894429211.db2.gz GTYJCPRUQTVEJL-CQSZACIVSA-N 2 0 265.401 0.742 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482728102 894547317 /nfs/dbraw/zinc/54/73/17/894547317.db2.gz DZSMHODNNSBLRQ-ZIAGYGMSSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001482841011 894645565 /nfs/dbraw/zinc/64/55/65/894645565.db2.gz BLKNDSGFIHXIOU-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)C[N@@H+](C)CCC ZINC001482962439 894734033 /nfs/dbraw/zinc/73/40/33/894734033.db2.gz DGCYRBLUOHPOJP-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001483175517 895058378 /nfs/dbraw/zinc/05/83/78/895058378.db2.gz SWWWCZNVASRRIY-CYBMUJFWSA-N 2 0 291.399 0.176 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483467480 895594431 /nfs/dbraw/zinc/59/44/31/895594431.db2.gz YNCFKWQKNULQBV-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484420954 896391535 /nfs/dbraw/zinc/39/15/35/896391535.db2.gz FTKJWEAMJVTFLV-OAHLLOKOSA-N 2 0 294.443 0.437 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001484501854 896447313 /nfs/dbraw/zinc/44/73/13/896447313.db2.gz LQWHCJWGFGJEAB-OAHLLOKOSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484976038 896692829 /nfs/dbraw/zinc/69/28/29/896692829.db2.gz KUELSNUZPLXLKW-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)CCc2cncn2C)C1 ZINC001493256393 914132282 /nfs/dbraw/zinc/13/22/82/914132282.db2.gz BJPFEVYKQREVOS-ZDUSSCGKSA-N 2 0 276.384 0.977 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC)CC1 ZINC001032800452 898375697 /nfs/dbraw/zinc/37/56/97/898375697.db2.gz JPSVRGGOLYEMCZ-GJZGRUSLSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485956611 898519537 /nfs/dbraw/zinc/51/95/37/898519537.db2.gz YQNZXJOSPKELKL-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001486295642 898761545 /nfs/dbraw/zinc/76/15/45/898761545.db2.gz PTGUIAVBTPCJGM-HUUCEWRRSA-N 2 0 297.443 0.703 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001486312978 898788261 /nfs/dbraw/zinc/78/82/61/898788261.db2.gz JGAWLMGJCIXEPK-HOCLYGCPSA-N 2 0 295.427 0.457 20 30 CCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565672 899976656 /nfs/dbraw/zinc/97/66/56/899976656.db2.gz WWWJDKAQSOADSW-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001327670496 914695995 /nfs/dbraw/zinc/69/59/95/914695995.db2.gz WIRKDVPRWVSDSG-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001491469591 903613264 /nfs/dbraw/zinc/61/32/64/903613264.db2.gz JPSCOYBCQUCBQO-QWHCGFSZSA-N 2 0 271.380 0.784 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001282066603 904402819 /nfs/dbraw/zinc/40/28/19/904402819.db2.gz OYTSERBFMYMWIK-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282231305 904436874 /nfs/dbraw/zinc/43/68/74/904436874.db2.gz XCBUQDBDKJFCPK-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001316626737 904844256 /nfs/dbraw/zinc/84/42/56/904844256.db2.gz ZQDDEWYUOGPFFJ-TXEJJXNPSA-N 2 0 260.341 0.378 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001283765405 905002778 /nfs/dbraw/zinc/00/27/78/905002778.db2.gz UCQMKTCGMUBREX-ZIAGYGMSSA-N 2 0 283.416 0.504 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001284446974 905298768 /nfs/dbraw/zinc/29/87/68/905298768.db2.gz BZWPNRXNPRYNRZ-CQSZACIVSA-N 2 0 297.443 0.397 20 30 CCEDRP C#C[C@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001308882994 908442524 /nfs/dbraw/zinc/44/25/24/908442524.db2.gz NZPLJFQERNUPCO-WLYUNCDWSA-N 2 0 266.385 0.604 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317162127 909021961 /nfs/dbraw/zinc/02/19/61/909021961.db2.gz MEJYNGKPAAWYCE-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317335676 909148110 /nfs/dbraw/zinc/14/81/10/909148110.db2.gz FKYJXNKZTHVYBM-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317345523 909152541 /nfs/dbraw/zinc/15/25/41/909152541.db2.gz BZEMCOFONBQEOK-OAHLLOKOSA-N 2 0 277.412 0.934 20 30 CCEDRP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317545928 909311463 /nfs/dbraw/zinc/31/14/63/909311463.db2.gz LOBLHWMBPGSGRG-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317501035 909271311 /nfs/dbraw/zinc/27/13/11/909271311.db2.gz FAKIBLUVLFCGIK-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319168116 910013372 /nfs/dbraw/zinc/01/33/72/910013372.db2.gz RYKRIAFVWWJNQJ-KGLIPLIRSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001319529702 910190093 /nfs/dbraw/zinc/19/00/93/910190093.db2.gz WFMACXOODJQULG-CHWSQXEVSA-N 2 0 253.390 0.642 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCF)CC1 ZINC001319590634 910217648 /nfs/dbraw/zinc/21/76/48/910217648.db2.gz UTXBYFUKCRTKJP-CYBMUJFWSA-N 2 0 283.391 0.738 20 30 CCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319604145 910225004 /nfs/dbraw/zinc/22/50/04/910225004.db2.gz KGAYYJSKZWBVBH-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001319919376 910351720 /nfs/dbraw/zinc/35/17/20/910351720.db2.gz UBOQUIXEYQDGIF-AWEZNQCLSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001320071850 910446199 /nfs/dbraw/zinc/44/61/99/910446199.db2.gz AEZXXRHMAIMLLA-CYBMUJFWSA-N 2 0 253.390 0.596 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321522619 911348536 /nfs/dbraw/zinc/34/85/36/911348536.db2.gz PKBZOQHCNQWMDG-OCCSQVGLSA-N 2 0 263.385 0.446 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]CC#CCOC ZINC001322034061 911629186 /nfs/dbraw/zinc/62/91/86/911629186.db2.gz FGLQSZVODPCLMB-ZDUSSCGKSA-N 2 0 269.389 0.072 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322235144 911720021 /nfs/dbraw/zinc/72/00/21/911720021.db2.gz CNYOGORWDOOKAW-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328280220 915076546 /nfs/dbraw/zinc/07/65/46/915076546.db2.gz SABNIHKZSHCXMP-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]C[C@H](C)O)CC1 ZINC001328457947 915210708 /nfs/dbraw/zinc/21/07/08/915210708.db2.gz BGFGZFXYBVKUAC-KBPBESRZSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001328942625 915535071 /nfs/dbraw/zinc/53/50/71/915535071.db2.gz YOTKADWXYVZFEJ-RUXDESIVSA-N 2 0 265.401 0.690 20 30 CCEDRP C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330045726 916381111 /nfs/dbraw/zinc/38/11/11/916381111.db2.gz DOCCQJMHXODFOS-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001332536959 918265979 /nfs/dbraw/zinc/26/59/79/918265979.db2.gz PJLPIXZPKMHWOB-LSDHHAIUSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001333354254 918829258 /nfs/dbraw/zinc/82/92/58/918829258.db2.gz GXBHYEXKEFFDHT-HNNXBMFYSA-N 2 0 277.412 0.954 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC001335383019 920159649 /nfs/dbraw/zinc/15/96/49/920159649.db2.gz STOPVKQEVKAYRG-JKSUJKDBSA-N 2 0 276.380 0.626 20 30 CCEDRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001335896238 920500933 /nfs/dbraw/zinc/50/09/33/920500933.db2.gz FFJYCTMCXGCYIC-HNNXBMFYSA-N 2 0 296.459 0.904 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](CC)CC1 ZINC001340112841 921963064 /nfs/dbraw/zinc/96/30/64/921963064.db2.gz PVEWBXWZUWNFHF-OAHLLOKOSA-N 2 0 296.459 0.814 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340231982 922016693 /nfs/dbraw/zinc/01/66/93/922016693.db2.gz CMEDDZMADOJVMT-OAHLLOKOSA-N 2 0 296.459 0.812 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC001341514240 922524793 /nfs/dbraw/zinc/52/47/93/922524793.db2.gz HMZOEKITYRSBPX-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]2C1 ZINC001342816216 923097858 /nfs/dbraw/zinc/09/78/58/923097858.db2.gz MIOYVUHURLIYPO-CYDGBPFRSA-N 2 0 264.373 0.464 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001344462819 923610331 /nfs/dbraw/zinc/61/03/31/923610331.db2.gz VYAAATHKKOAAOS-AWEZNQCLSA-N 2 0 251.374 0.433 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001345028073 923765806 /nfs/dbraw/zinc/76/58/06/923765806.db2.gz ULVNMCYESYBUBU-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC(OC3C[NH2+]C3)CC2)CCC[NH2+]1 ZINC001345923070 924013289 /nfs/dbraw/zinc/01/32/89/924013289.db2.gz CZDQJEJECWOWBK-MRXNPFEDSA-N 2 0 293.411 0.664 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC001346374910 924178047 /nfs/dbraw/zinc/17/80/47/924178047.db2.gz BUVKCUGATBXXOZ-STQMWFEESA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH2+]C)C(C)C ZINC001353407741 925823512 /nfs/dbraw/zinc/82/35/12/925823512.db2.gz ZUICSEOMTSCWPL-UHFFFAOYSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@H]12 ZINC001353632589 925890751 /nfs/dbraw/zinc/89/07/51/925890751.db2.gz CZOBCVCFHFJPCV-QLFBSQMISA-N 2 0 292.427 0.581 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC001355328108 926240165 /nfs/dbraw/zinc/24/01/65/926240165.db2.gz IJJXUBXGXIAHFT-UHFFFAOYSA-N 2 0 285.391 0.728 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001355717924 926305891 /nfs/dbraw/zinc/30/58/91/926305891.db2.gz AKIPWMWKBDOYQC-NHCYSSNCSA-N 2 0 257.765 0.715 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001357350649 926515225 /nfs/dbraw/zinc/51/52/25/926515225.db2.gz IVNNGLHNNZOBKZ-AWEZNQCLSA-N 2 0 283.416 0.633 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC3(C[NH2+]C3)CC2)CCC[NH2+]1 ZINC001357813193 926601122 /nfs/dbraw/zinc/60/11/22/926601122.db2.gz YNHIYGNMOLKYMN-HNNXBMFYSA-N 2 0 263.385 0.897 20 30 CCEDRP C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)CN1CC[NH+](C)CC1 ZINC000600724317 362045684 /nfs/dbraw/zinc/04/56/84/362045684.db2.gz GRHPYAGVAPULAQ-HUUCEWRRSA-N 2 0 294.443 0.514 20 30 CCEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600726870 362047420 /nfs/dbraw/zinc/04/74/20/362047420.db2.gz HRVDEWDKHMIMSB-OAHLLOKOSA-N 2 0 294.443 0.657 20 30 CCEDRP COCC[N@@H+]1CC[C@H](Nc2cc(C)ncc2C#N)C1 ZINC000425225599 235274721 /nfs/dbraw/zinc/27/47/21/235274721.db2.gz LSKPIVQLYQCCBZ-ZDUSSCGKSA-N 2 0 260.341 0.816 20 30 CCEDRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC[N@@H+]1C ZINC000574749853 359039937 /nfs/dbraw/zinc/03/99/37/359039937.db2.gz CTQGXLZRQBDIPD-MCIONIFRSA-N 2 0 268.405 0.265 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591893436 359681167 /nfs/dbraw/zinc/68/11/67/359681167.db2.gz XPUJETYXJQYWKV-RDBSUJKOSA-N 2 0 278.400 0.998 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000594427883 360302428 /nfs/dbraw/zinc/30/24/28/360302428.db2.gz WLAVUGXSKRERCZ-NEPJUHHUSA-N 2 0 252.362 0.737 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438330 360307295 /nfs/dbraw/zinc/30/72/95/360307295.db2.gz OCJPHOQMJMLMLV-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000594438296 360307322 /nfs/dbraw/zinc/30/73/22/360307322.db2.gz SMWBNQQXLYDLAS-ZDUSSCGKSA-N 2 0 264.373 0.704 20 30 CCEDRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438559 360307463 /nfs/dbraw/zinc/30/74/63/360307463.db2.gz OJZYLBMTEXWXPK-CHWSQXEVSA-N 2 0 282.388 0.235 20 30 CCEDRP C[C@@]1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCC[NH2+]C1 ZINC000594437872 360307595 /nfs/dbraw/zinc/30/75/95/360307595.db2.gz FYNWCAWIPKYBJU-GXTWGEPZSA-N 2 0 266.389 0.904 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000594440714 360310705 /nfs/dbraw/zinc/31/07/05/360310705.db2.gz BDQGGLNKBMHTOW-RWMBFGLXSA-N 2 0 264.373 0.608 20 30 CCEDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594443912 360312045 /nfs/dbraw/zinc/31/20/45/360312045.db2.gz ITRJLKKYOGIWPN-SDDRHHMPSA-N 2 0 270.352 0.556 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444260 360312094 /nfs/dbraw/zinc/31/20/94/360312094.db2.gz NMHMBIXNFVAJPW-FVCCEPFGSA-N 2 0 266.389 0.900 20 30 CCEDRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594446464 360313036 /nfs/dbraw/zinc/31/30/36/360313036.db2.gz UCPNDUQSNHTXLN-GFCCVEGCSA-N 2 0 254.378 0.856 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000594452228 360316694 /nfs/dbraw/zinc/31/66/94/360316694.db2.gz FSOLJMSACSWSSK-YDHLFZDLSA-N 2 0 278.400 0.985 20 30 CCEDRP Cc1cc(NCC[NH+](C)C)c(C#N)c(NCC[NH+](C)C)n1 ZINC000596056424 360783270 /nfs/dbraw/zinc/78/32/70/360783270.db2.gz ZQARKTNTSZCBRY-UHFFFAOYSA-N 2 0 290.415 0.631 20 30 CCEDRP C=CCC[C@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000305095027 389084793 /nfs/dbraw/zinc/08/47/93/389084793.db2.gz RRNVREJIYNPHTM-ZDUSSCGKSA-N 2 0 269.389 0.019 20 30 CCEDRP N#CCCOCC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000339064306 389123755 /nfs/dbraw/zinc/12/37/55/389123755.db2.gz DUXOXYDKIHTXRC-UHFFFAOYSA-N 2 0 297.399 0.076 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237993532 389198328 /nfs/dbraw/zinc/19/83/28/389198328.db2.gz LBQNEEQEXYXGSS-NWDGAFQWSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CCNC(=O)C[N@H+](C)CCCn1ccnc1C ZINC000136295380 389265751 /nfs/dbraw/zinc/26/57/51/389265751.db2.gz WPCFQWLHWWMEJX-UHFFFAOYSA-N 2 0 250.346 0.816 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)CC1 ZINC000155188437 389317625 /nfs/dbraw/zinc/31/76/25/389317625.db2.gz YMXRXIFWWFQJQU-KBPBESRZSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150802640 389274654 /nfs/dbraw/zinc/27/46/54/389274654.db2.gz FMZWHFWXQLREOU-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261980023 389280074 /nfs/dbraw/zinc/28/00/74/389280074.db2.gz OQUWSLYFWOEKGF-HZMBPMFUSA-N 2 0 290.415 0.866 20 30 CCEDRP COCCNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264069054 389304784 /nfs/dbraw/zinc/30/47/84/389304784.db2.gz CORUTBFGCDDNLO-UHFFFAOYSA-N 2 0 294.399 0.678 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158665623 389348997 /nfs/dbraw/zinc/34/89/97/389348997.db2.gz XYMGLIHPJJQTNZ-OLZOCXBDSA-N 2 0 294.399 0.414 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430627798 389814092 /nfs/dbraw/zinc/81/40/92/389814092.db2.gz NREWIICUXUXHGY-JTQLQIEISA-N 2 0 268.361 0.057 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000644166443 390155147 /nfs/dbraw/zinc/15/51/47/390155147.db2.gz DVIBSYOROWOBBH-YHQUGGNUSA-N 2 0 254.374 0.919 20 30 CCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000580183701 390226093 /nfs/dbraw/zinc/22/60/93/390226093.db2.gz OWFTYNPROJJULK-GFCCVEGCSA-N 2 0 294.424 0.318 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCCC1 ZINC000520219007 390558904 /nfs/dbraw/zinc/55/89/04/390558904.db2.gz MGAKCSLAKWPKEY-AWEZNQCLSA-N 2 0 268.405 0.268 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659450376 413510164 /nfs/dbraw/zinc/51/01/64/413510164.db2.gz NNRUCZSJSNRYKY-UHFFFAOYSA-N 2 0 278.400 0.688 20 30 CCEDRP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)COC ZINC000662299144 414707805 /nfs/dbraw/zinc/70/78/05/414707805.db2.gz LDXQBECODRDXLM-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC[NH2+]1 ZINC000662777749 414784624 /nfs/dbraw/zinc/78/46/24/414784624.db2.gz CQZJRATYMSCDJY-UMVBOHGHSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CCC[NH2+]1 ZINC000662778841 414784859 /nfs/dbraw/zinc/78/48/59/414784859.db2.gz JFHOZHPJXWITSO-HUUCEWRRSA-N 2 0 281.400 0.570 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662779516 414786289 /nfs/dbraw/zinc/78/62/89/414786289.db2.gz KRANYDFGCVGJGN-ZBFHGGJFSA-N 2 0 292.427 0.191 20 30 CCEDRP C=CC[C@@]1(C(=O)NC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662662822 414738463 /nfs/dbraw/zinc/73/84/63/414738463.db2.gz WYXBELOQCFLFRO-AWEZNQCLSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CCC[NH2+]1 ZINC000662710555 414745183 /nfs/dbraw/zinc/74/51/83/414745183.db2.gz HADHSWQANXKHNL-HOCLYGCPSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906364 414885748 /nfs/dbraw/zinc/88/57/48/414885748.db2.gz IYAQAVZOVJKUHJ-GDBMZVCRSA-N 2 0 292.427 0.191 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158457601 261164931 /nfs/dbraw/zinc/16/49/31/261164931.db2.gz QPUZZVQCGXDNKL-OCCSQVGLSA-N 2 0 292.431 0.814 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249862034 261258766 /nfs/dbraw/zinc/25/87/66/261258766.db2.gz GGZOBFBTXOVYOX-CHWSQXEVSA-N 2 0 268.405 0.802 20 30 CCEDRP C[C@H](O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H]([C@H](C)O)C2)C1 ZINC000341905710 263364890 /nfs/dbraw/zinc/36/48/90/263364890.db2.gz CCEQKLDXCHDCQG-YHUYYLMFSA-N 2 0 280.412 0.395 20 30 CCEDRP CNC(NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)=[NH+]C ZINC000262153436 328145798 /nfs/dbraw/zinc/14/57/98/328145798.db2.gz RLQQVEMQKIGRHV-WCQYABFASA-N 2 0 278.404 0.598 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237937980 327356380 /nfs/dbraw/zinc/35/63/80/327356380.db2.gz LBQNEEQEXYXGSS-RYUDHWBXSA-N 2 0 251.374 0.880 20 30 CCEDRP C[NH+]=C(NCC(=O)N(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262286315 330004370 /nfs/dbraw/zinc/00/43/70/330004370.db2.gz KHTMOJKRTNHENN-YHWZYXNKSA-N 2 0 295.431 0.255 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424055859 330218290 /nfs/dbraw/zinc/21/82/90/330218290.db2.gz GFZHKAJOCAORPH-SDDRHHMPSA-N 2 0 252.362 0.736 20 30 CCEDRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424128326 330259549 /nfs/dbraw/zinc/25/95/49/330259549.db2.gz FFIUAYLGTOSNQW-NWDGAFQWSA-N 2 0 254.378 0.854 20 30 CCEDRP CC1CC[NH+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424129745 330260138 /nfs/dbraw/zinc/26/01/38/330260138.db2.gz GUNXKIWDZRWSLW-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C[NH3+])C1 ZINC000424177080 330317474 /nfs/dbraw/zinc/31/74/74/330317474.db2.gz PJQHQQVHRXZEFS-UTUOFQBUSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000490761058 332113284 /nfs/dbraw/zinc/11/32/84/332113284.db2.gz RGEVQHDNBVTWDZ-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC000491220748 332168751 /nfs/dbraw/zinc/16/87/51/332168751.db2.gz PYCMYKZIYVITTQ-ZDUSSCGKSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000491495730 332222996 /nfs/dbraw/zinc/22/29/96/332222996.db2.gz LNGBYGCCYANVLD-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000491626414 332250019 /nfs/dbraw/zinc/25/00/19/332250019.db2.gz JSUFYXVWTIJEBE-CQSZACIVSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000491652361 332265279 /nfs/dbraw/zinc/26/52/79/332265279.db2.gz AVDZBDXYUVAUAX-LBPRGKRZSA-N 2 0 254.378 0.368 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000491663670 332272786 /nfs/dbraw/zinc/27/27/86/332272786.db2.gz HEGQJSISRYCLEX-KGLIPLIRSA-N 2 0 280.416 0.629 20 30 CCEDRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1C#N ZINC000554876942 334458263 /nfs/dbraw/zinc/45/82/63/334458263.db2.gz AGFCMZJQOKJUEH-UHFFFAOYSA-N 2 0 277.416 0.822 20 30 CCEDRP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C(C)(C)C[NH+](C)C ZINC000577171835 335314380 /nfs/dbraw/zinc/31/43/80/335314380.db2.gz DDVURHAYHILEHP-KBPBESRZSA-N 2 0 284.448 0.759 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000581127437 336011971 /nfs/dbraw/zinc/01/19/71/336011971.db2.gz TZIGLSQWFGFKDP-OWYFMNJBSA-N 2 0 298.427 0.637 20 30 CCEDRP C=C(C)[C@@H](CO)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221230 545360913 /nfs/dbraw/zinc/36/09/13/545360913.db2.gz HRMPNJZWERWUCG-CQSZACIVSA-N 2 0 257.422 0.739 20 30 CCEDRP OC[C@H]1CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@H]1CO ZINC000792863477 581274599 /nfs/dbraw/zinc/27/45/99/581274599.db2.gz WKXSGUAGAQPGQP-IYBDPMFKSA-N 2 0 280.412 0.683 20 30 CCEDRP CO[C@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@@H](C)OC ZINC000796641733 581446907 /nfs/dbraw/zinc/44/69/07/581446907.db2.gz YYLOKZJRLHWKJG-ZIAGYGMSSA-N 2 0 256.390 0.923 20 30 CCEDRP C#CCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000766922581 581587426 /nfs/dbraw/zinc/58/74/26/581587426.db2.gz YCKVDVDGHZCHPT-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852792967 617178447 /nfs/dbraw/zinc/17/84/47/617178447.db2.gz KJDBSDNXJXPXIX-TZMCWYRMSA-N 2 0 263.385 0.718 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000963626371 612954339 /nfs/dbraw/zinc/95/43/39/612954339.db2.gz XZACLHJAGBVVDG-JNJRBNHSSA-N 2 0 275.396 0.731 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000861634671 613073769 /nfs/dbraw/zinc/07/37/69/613073769.db2.gz PXERFTQGANGPRV-CQSZACIVSA-N 2 0 280.416 0.581 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877183743 613387255 /nfs/dbraw/zinc/38/72/55/613387255.db2.gz CXWVMAMAZKCFSB-SQLBVSGCSA-N 2 0 257.765 0.939 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000876856145 613390336 /nfs/dbraw/zinc/39/03/36/613390336.db2.gz JOBJKHWLWIPLHU-VHSXEESVSA-N 2 0 257.765 0.715 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970802761 612961860 /nfs/dbraw/zinc/96/18/60/612961860.db2.gz BPAKKWDRTUGMDL-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978165047 613041095 /nfs/dbraw/zinc/04/10/95/613041095.db2.gz HZASTMODTVKVNV-QCODTGAPSA-N 2 0 289.423 0.644 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959918614 613044597 /nfs/dbraw/zinc/04/45/97/613044597.db2.gz GIGOXBDKGVQATO-CAOSSQGBSA-N 2 0 287.407 0.398 20 30 CCEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895490682 613058643 /nfs/dbraw/zinc/05/86/43/613058643.db2.gz RNXGNCBDHNSUJS-CYBMUJFWSA-N 2 0 254.374 0.196 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000908436800 613072490 /nfs/dbraw/zinc/07/24/90/613072490.db2.gz UZIKALKVAMMLPV-UHFFFAOYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000841910461 613074473 /nfs/dbraw/zinc/07/44/73/613074473.db2.gz RFUWFVPUYXNONW-UONOGXRCSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000886353382 613074797 /nfs/dbraw/zinc/07/47/97/613074797.db2.gz IEQXVTVMSBUKRU-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841909340 613076425 /nfs/dbraw/zinc/07/64/25/613076425.db2.gz CRBMZHPPVSVZJH-CHWSQXEVSA-N 2 0 266.389 0.511 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000972609903 613089704 /nfs/dbraw/zinc/08/97/04/613089704.db2.gz FSKGIFNYHDFQHF-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC)C2)CC1 ZINC000970789296 613129149 /nfs/dbraw/zinc/12/91/49/613129149.db2.gz WVKDHJPFXUNGSY-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000914315671 613135335 /nfs/dbraw/zinc/13/53/35/613135335.db2.gz XJSIFJGMPCYXBW-AWEZNQCLSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000900667382 613135997 /nfs/dbraw/zinc/13/59/97/613135997.db2.gz OBQVXQBJRDKHAE-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CC1 ZINC000849006272 613218738 /nfs/dbraw/zinc/21/87/38/613218738.db2.gz QPHLYZZVEZVQKY-UHFFFAOYSA-N 2 0 280.416 0.959 20 30 CCEDRP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000980893152 613254197 /nfs/dbraw/zinc/25/41/97/613254197.db2.gz GSCDKZVGCNTPSL-OAHLLOKOSA-N 2 0 295.427 0.818 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517236 613305728 /nfs/dbraw/zinc/30/57/28/613305728.db2.gz CIDSFMOXQTWOQB-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960765719 613313292 /nfs/dbraw/zinc/31/32/92/613313292.db2.gz AKBUMXBDGVNJBI-WDNDVIMCSA-N 2 0 273.380 0.294 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885891047 613365073 /nfs/dbraw/zinc/36/50/73/613365073.db2.gz OMNGAAVBLHOKBM-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819636002 613366045 /nfs/dbraw/zinc/36/60/45/613366045.db2.gz NGKFGPDYXSHKKF-UHFFFAOYSA-N 2 0 283.416 0.673 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC000876881746 613387411 /nfs/dbraw/zinc/38/74/11/613387411.db2.gz OBTYLHIIAYKNCY-LLVKDONJSA-N 2 0 257.765 0.763 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371621 613387612 /nfs/dbraw/zinc/38/76/12/613387612.db2.gz KMRCUJICURBVDN-HOSYDEDBSA-N 2 0 257.765 0.524 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000876856465 613389485 /nfs/dbraw/zinc/38/94/85/613389485.db2.gz FUUGMVLPOWNPKG-GARJFASQSA-N 2 0 257.765 0.667 20 30 CCEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883438838 613413854 /nfs/dbraw/zinc/41/38/54/613413854.db2.gz DJNJHFPZPLYIJC-RVMXOQNASA-N 2 0 265.357 0.818 20 30 CCEDRP CC#CCN(C)CC(=O)NC[C@H](C)[N@H+](C)CC#CC ZINC000930590774 613524270 /nfs/dbraw/zinc/52/42/70/613524270.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 0 263.385 0.401 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282757 613585568 /nfs/dbraw/zinc/58/55/68/613585568.db2.gz XQCNHHSXZJIVKQ-CHWSQXEVSA-N 2 0 269.389 0.100 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959849902 613637809 /nfs/dbraw/zinc/63/78/09/613637809.db2.gz NGSMFUOTXIDDJQ-QXSJWSMHSA-N 2 0 289.423 0.929 20 30 CCEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC000968797493 613684281 /nfs/dbraw/zinc/68/42/81/613684281.db2.gz YCZXRWMPMYMTSM-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978149224 613834798 /nfs/dbraw/zinc/83/47/98/613834798.db2.gz VPIDTRHPRUPKDS-FPCVCCKLSA-N 2 0 289.423 0.808 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961776663 613837626 /nfs/dbraw/zinc/83/76/26/613837626.db2.gz XAFFLEGTWJQWKQ-RMRHIDDWSA-N 2 0 263.385 0.703 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000876997752 614164119 /nfs/dbraw/zinc/16/41/19/614164119.db2.gz GFRASSSUTINANZ-AWEZNQCLSA-N 2 0 263.385 0.446 20 30 CCEDRP CC(C)[C@H]([NH3+])CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884415713 614225994 /nfs/dbraw/zinc/22/59/94/614225994.db2.gz DQHVOMVQZRDUAO-SBEAFCBVSA-N 2 0 278.400 0.615 20 30 CCEDRP CC(C)[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852882334 614325543 /nfs/dbraw/zinc/32/55/43/614325543.db2.gz DDJJXDKMAMIQGW-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP CCC[N@H+](CC)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884229580 614568932 /nfs/dbraw/zinc/56/89/32/614568932.db2.gz UWZAYKNLCWQSNB-BBBYJDLNSA-N 2 0 292.427 0.974 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194410 614664762 /nfs/dbraw/zinc/66/47/62/614664762.db2.gz GPDNOVWGFCRENH-GRYCIOLGSA-N 2 0 250.346 0.089 20 30 CCEDRP CC[N@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C(C)C ZINC000852865230 615047975 /nfs/dbraw/zinc/04/79/75/615047975.db2.gz WMDWNPDYRCQIPS-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP CC[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+](CC)CC ZINC000844195187 615608308 /nfs/dbraw/zinc/60/83/08/615608308.db2.gz RPXGRQBAOYPSBX-QJPTWQEYSA-N 2 0 252.362 0.335 20 30 CCEDRP C[N@H+](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)CC(C)(C)C ZINC000876801518 616049216 /nfs/dbraw/zinc/04/92/16/616049216.db2.gz DXSIKAPGSBEOOJ-QWRGUYRKSA-N 2 0 252.362 0.192 20 30 CCEDRP CN(CC[NH3+])C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876919323 616084712 /nfs/dbraw/zinc/08/47/12/616084712.db2.gz TUBSAMTZWWSCBN-ZDUSSCGKSA-N 2 0 258.325 0.162 20 30 CCEDRP C[N@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884201153 616091186 /nfs/dbraw/zinc/09/11/86/616091186.db2.gz RFTSMKBGBXCBPF-AVERBVTBSA-N 2 0 276.384 0.336 20 30 CCEDRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)NCC#N)CC2 ZINC000879247732 616176543 /nfs/dbraw/zinc/17/65/43/616176543.db2.gz HRZWVOAISGQWDN-UHFFFAOYSA-N 2 0 264.373 0.434 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001022710611 622682076 /nfs/dbraw/zinc/68/20/76/622682076.db2.gz LLYWOVHPYDYPPE-UPJWGTAASA-N 2 0 251.374 0.894 20 30 CCEDRP CCNC(NC[C@@H](C(C)C)N1CC[NH+](C)CC1)=[NH+]CC ZINC000066245099 623443743 /nfs/dbraw/zinc/44/37/43/623443743.db2.gz PAQCWTKNUQWXMT-AWEZNQCLSA-N 2 0 283.464 0.833 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001020432498 624475892 /nfs/dbraw/zinc/47/58/92/624475892.db2.gz OQKVLASOJPMXTM-KKUMJFAQSA-N 2 0 275.396 0.731 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001020589096 624543941 /nfs/dbraw/zinc/54/39/41/624543941.db2.gz WTSUMMCSJGBUGQ-JHJVBQTASA-N 2 0 251.374 0.751 20 30 CCEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805712 630934660 /nfs/dbraw/zinc/93/46/60/630934660.db2.gz AVZYPRGAALNTBJ-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C[NH+]=C(NCc1cnn(C)c1)N[C@H]1CCN(C2CC2)C1 ZINC000083096719 630968356 /nfs/dbraw/zinc/96/83/56/630968356.db2.gz ZEPFEEICNKDILM-LBPRGKRZSA-N 2 0 276.388 0.322 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCCC1 ZINC000262007365 631751956 /nfs/dbraw/zinc/75/19/56/631751956.db2.gz SACYPCSHRNXVQW-GFCCVEGCSA-N 2 0 268.405 0.680 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@H+](C)C1CC1 ZINC000303969638 632500573 /nfs/dbraw/zinc/50/05/73/632500573.db2.gz BVYNVUQHMFBSTC-JTQLQIEISA-N 2 0 256.419 0.833 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC000986353702 632745509 /nfs/dbraw/zinc/74/55/09/632745509.db2.gz JDPQZMZHVSISNX-OCCSQVGLSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992473978 637442277 /nfs/dbraw/zinc/44/22/77/637442277.db2.gz GNRLZHDYTUPSLD-IJEWVQPXSA-N 2 0 275.396 0.685 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014468633 650453825 /nfs/dbraw/zinc/45/38/25/650453825.db2.gz QDICQXVUJDWCFV-UONOGXRCSA-N 2 0 263.385 0.705 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998725074 638936536 /nfs/dbraw/zinc/93/65/36/638936536.db2.gz VKTWZLOSNZKCED-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999828074 639005448 /nfs/dbraw/zinc/00/54/48/639005448.db2.gz CFOXOBPFQCNICD-HIFPTAJRSA-N 2 0 251.374 0.703 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003630916 639580807 /nfs/dbraw/zinc/58/08/07/639580807.db2.gz QIKQRXLVRYCZGE-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015700836 650611456 /nfs/dbraw/zinc/61/14/56/650611456.db2.gz BQAGTQPSNWRXQY-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015702071 650612053 /nfs/dbraw/zinc/61/20/53/650612053.db2.gz LLYRSENFZHUQSG-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001016328467 650718692 /nfs/dbraw/zinc/71/86/92/650718692.db2.gz CRRDILMWXPNAKB-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000834484104 642574562 /nfs/dbraw/zinc/57/45/62/642574562.db2.gz DTKRKBVFKWOXCQ-UPJWGTAASA-N 2 0 258.325 0.304 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000834485480 642578509 /nfs/dbraw/zinc/57/85/09/642578509.db2.gz XIXVTHGWRYLMLB-LSDHHAIUSA-N 2 0 284.363 0.216 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000834493192 642583037 /nfs/dbraw/zinc/58/30/37/642583037.db2.gz BPFLTSKDRWEUMP-AGIUHOORSA-N 2 0 264.373 0.512 20 30 CCEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016970330 650774766 /nfs/dbraw/zinc/77/47/66/650774766.db2.gz TWMHLQGMCTWHJB-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000848424636 643636095 /nfs/dbraw/zinc/63/60/95/643636095.db2.gz QXPFFCSJIAZEHM-UKRRQHHQSA-N 2 0 278.400 1.000 20 30 CCEDRP [NH3+][C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852796812 644001833 /nfs/dbraw/zinc/00/18/33/644001833.db2.gz YFVZZHQXSDBTPL-OAHLLOKOSA-N 2 0 271.364 0.806 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000852798987 644003158 /nfs/dbraw/zinc/00/31/58/644003158.db2.gz PNWMXIYNUXJLEL-OCCSQVGLSA-N 2 0 263.385 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000852859702 644027279 /nfs/dbraw/zinc/02/72/79/644027279.db2.gz XXNXNRGWPAHNOQ-LSDHHAIUSA-N 2 0 275.396 0.732 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000852874095 644035395 /nfs/dbraw/zinc/03/53/95/644035395.db2.gz KMQWCHFDULPNSO-AWEZNQCLSA-N 2 0 261.369 0.342 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000852875391 644036844 /nfs/dbraw/zinc/03/68/44/644036844.db2.gz JDUBPUFCCYXNPF-OAHLLOKOSA-N 2 0 261.369 0.201 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCF)C2)CC1 ZINC001019815998 651008562 /nfs/dbraw/zinc/00/85/62/651008562.db2.gz PQDMVOCGBFDTPK-AWEZNQCLSA-N 2 0 281.375 0.492 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792130 646665082 /nfs/dbraw/zinc/66/50/82/646665082.db2.gz SCWPRSRBHPUMAF-GJZGRUSLSA-N 2 0 284.363 0.599 20 30 CCEDRP C[C@@H](CC[NH+](C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884201890 647666851 /nfs/dbraw/zinc/66/68/51/647666851.db2.gz KIUMKJJIEGWQIN-SDFYHXNISA-N 2 0 278.400 0.582 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227474 647671882 /nfs/dbraw/zinc/67/18/82/647671882.db2.gz QHQXRXIJJZVXAQ-RXFTYZNJSA-N 2 0 290.411 0.584 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000884267493 647688631 /nfs/dbraw/zinc/68/86/31/647688631.db2.gz GXYNLJWVNKTLRW-UNOFRPGUSA-N 2 0 276.384 0.512 20 30 CCEDRP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001006431933 649377756 /nfs/dbraw/zinc/37/77/56/649377756.db2.gz SIEARQRRQYBXPG-HNNXBMFYSA-N 2 0 295.427 0.816 20 30 CCEDRP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303701026 649824101 /nfs/dbraw/zinc/82/41/01/649824101.db2.gz HWZRPTHQCOLOBD-KBPBESRZSA-N 3 0 281.448 0.859 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303882321 649826238 /nfs/dbraw/zinc/82/62/38/649826238.db2.gz LHWODMXLTVJKKQ-KBPBESRZSA-N 2 0 281.448 0.715 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(NC1CC1)=[NH+]C ZINC000304831000 649839418 /nfs/dbraw/zinc/83/94/18/649839418.db2.gz KIBFSXKJRAIZMX-LBPRGKRZSA-N 2 0 256.394 0.671 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305048273 649840842 /nfs/dbraw/zinc/84/08/42/649840842.db2.gz ZCNYNMBCNLVOIM-OLZOCXBDSA-N 2 0 270.421 0.904 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266346830 790558581 /nfs/dbraw/zinc/55/85/81/790558581.db2.gz CVQQJYVZPDJCDT-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001266411770 790657097 /nfs/dbraw/zinc/65/70/97/790657097.db2.gz DLYMSXNQXLJJAQ-CQSZACIVSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266527183 790869996 /nfs/dbraw/zinc/86/99/96/790869996.db2.gz IZECPLXTENBHEM-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266577777 790958092 /nfs/dbraw/zinc/95/80/92/790958092.db2.gz YVWQBMANVXPCRX-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266596720 791001576 /nfs/dbraw/zinc/00/15/76/791001576.db2.gz LUAZUSJHLZUPKB-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001277692667 805963834 /nfs/dbraw/zinc/96/38/34/805963834.db2.gz FBHYQPSLYBBHGB-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001266980620 791415521 /nfs/dbraw/zinc/41/55/21/791415521.db2.gz ATYYGKBMCMSEKP-ZDUSSCGKSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001266994675 791428925 /nfs/dbraw/zinc/42/89/25/791428925.db2.gz OIXRPRYETDKPRC-ZDUSSCGKSA-N 2 0 261.369 0.059 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267056690 791485699 /nfs/dbraw/zinc/48/56/99/791485699.db2.gz SNWAUOOEWKVKMF-KKUMJFAQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001278077603 806652436 /nfs/dbraw/zinc/65/24/36/806652436.db2.gz LVBJYNBTNDWGCA-AWEZNQCLSA-N 2 0 297.443 0.894 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001121293299 799028082 /nfs/dbraw/zinc/02/80/82/799028082.db2.gz ZFNTXTSOKZEKJW-BZUAXINKSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC001121904169 799089394 /nfs/dbraw/zinc/08/93/94/799089394.db2.gz UIZSXILVDJDHFI-CQSZACIVSA-N 2 0 277.343 0.767 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001121939190 799101877 /nfs/dbraw/zinc/10/18/77/799101877.db2.gz FZDOLEGTTDEHBH-NEPJUHHUSA-N 2 0 251.374 0.928 20 30 CCEDRP CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+](C)C ZINC001122270571 799183444 /nfs/dbraw/zinc/18/34/44/799183444.db2.gz NXENNTRTWNVSPF-VXGBXAGGSA-N 2 0 270.377 0.090 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001122412943 799227938 /nfs/dbraw/zinc/22/79/38/799227938.db2.gz YYBJHSGFRVVGDR-JSGCOSHPSA-N 2 0 264.373 0.752 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202857207 799748194 /nfs/dbraw/zinc/74/81/94/799748194.db2.gz PKPDWXQKYUMFOE-OLZOCXBDSA-N 2 0 286.379 0.993 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001150318847 800330208 /nfs/dbraw/zinc/33/02/08/800330208.db2.gz VDBIKUARNVVDDZ-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150772398 800367486 /nfs/dbraw/zinc/36/74/86/800367486.db2.gz SAUVYKGGMGZZAP-CQSZACIVSA-N 2 0 283.416 0.720 20 30 CCEDRP N#Cc1c2c(cnc1-n1nccc1C[NH3+])C[NH2+]CCC2 ZINC001155124356 800913879 /nfs/dbraw/zinc/91/38/79/800913879.db2.gz VICUQMMSUKFRIK-UHFFFAOYSA-N 2 0 268.324 0.633 20 30 CCEDRP Cc1nc(C#N)cc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)n1 ZINC001155381599 800962392 /nfs/dbraw/zinc/96/23/92/800962392.db2.gz GWWSNCHGOKJPNM-CQSZACIVSA-N 2 0 286.383 0.516 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421213 801641475 /nfs/dbraw/zinc/64/14/75/801641475.db2.gz CXBUZBDFGMKUNG-KKUMJFAQSA-N 2 0 284.363 0.391 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001278316552 806946314 /nfs/dbraw/zinc/94/63/14/806946314.db2.gz SUXXRLCWFGLUTN-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP CCCCN(CC#N)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160728136 802013029 /nfs/dbraw/zinc/01/30/29/802013029.db2.gz AHQRFYPWDMSKCJ-JTQLQIEISA-N 2 0 258.391 0.158 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160861971 802035682 /nfs/dbraw/zinc/03/56/82/802035682.db2.gz FESZIVLKGOAEKW-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412157 802148049 /nfs/dbraw/zinc/14/80/49/802148049.db2.gz GXEPMPVSJAXHCY-VGWMRTNUSA-N 2 0 298.390 0.624 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C1 ZINC001161445070 802155649 /nfs/dbraw/zinc/15/56/49/802155649.db2.gz NBKHXXPSCWZJMH-ZBFHGGJFSA-N 3 0 294.443 0.437 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224491 802508130 /nfs/dbraw/zinc/50/81/30/802508130.db2.gz WAXUAOWPJHXTBX-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626426 802925810 /nfs/dbraw/zinc/92/58/10/802925810.db2.gz GPJAIWIRXXGHPO-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698322 803438514 /nfs/dbraw/zinc/43/85/14/803438514.db2.gz YQSMOAMCQUJUQD-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425671 803513174 /nfs/dbraw/zinc/51/31/74/803513174.db2.gz SLXYVNBMGOTXPG-CHWSQXEVSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454418 803605354 /nfs/dbraw/zinc/60/53/54/803605354.db2.gz LJPCWUBEXFFYDC-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835832 803631813 /nfs/dbraw/zinc/63/18/13/803631813.db2.gz AVIKBKJEACGVKZ-UKRRQHHQSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315436 803647735 /nfs/dbraw/zinc/64/77/35/803647735.db2.gz PFIGUUZZNHORJJ-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378554 803692750 /nfs/dbraw/zinc/69/27/50/803692750.db2.gz WFTHBDQPUWIANS-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218600971 804030078 /nfs/dbraw/zinc/03/00/78/804030078.db2.gz VNGBHFJAOFJZSZ-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001218650299 804061370 /nfs/dbraw/zinc/06/13/70/804061370.db2.gz XTXJFQQPEKZYLK-JTQLQIEISA-N 2 0 263.301 0.120 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC001219609866 804373741 /nfs/dbraw/zinc/37/37/41/804373741.db2.gz GNVYVRKNOLYXMS-WDEREUQCSA-N 2 0 277.290 0.705 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)CCC[NH2+]1 ZINC001219648921 804391747 /nfs/dbraw/zinc/39/17/47/804391747.db2.gz CGAUMNZANHJXPP-KCQAQPDRSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830248 804429060 /nfs/dbraw/zinc/42/90/60/804429060.db2.gz SUMHOIGHBRKCTJ-ZNMIVQPWSA-N 2 0 295.427 0.598 20 30 CCEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(=O)OCC ZINC001220570907 804626113 /nfs/dbraw/zinc/62/61/13/804626113.db2.gz CWUQQLZMYGRAPF-TYNCELHUSA-N 2 0 297.399 0.327 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001276815667 804656118 /nfs/dbraw/zinc/65/61/18/804656118.db2.gz VRDYDWSUHWIJSU-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001276815666 804656970 /nfs/dbraw/zinc/65/69/70/804656970.db2.gz VRDYDWSUHWIJSU-UONOGXRCSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220868152 804684257 /nfs/dbraw/zinc/68/42/57/804684257.db2.gz COGJUFCKXMWSGA-KBPBESRZSA-N 2 0 282.432 0.599 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001221088997 804728488 /nfs/dbraw/zinc/72/84/88/804728488.db2.gz CYIBAWVSBYHRFF-AWEZNQCLSA-N 2 0 299.378 0.444 20 30 CCEDRP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C(=O)OC ZINC001221381845 804795767 /nfs/dbraw/zinc/79/57/67/804795767.db2.gz KNTCFFDCNBDCHB-SWLSCSKDSA-N 2 0 299.415 0.670 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916933 804997871 /nfs/dbraw/zinc/99/78/71/804997871.db2.gz UTIXGAFKLNJNDI-CABCVRRESA-N 2 0 293.411 0.121 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225436014 805129570 /nfs/dbraw/zinc/12/95/70/805129570.db2.gz VBXWHOFXAIGCSJ-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229895686 805566518 /nfs/dbraw/zinc/56/65/18/805566518.db2.gz MYTFSEPWOBKLMZ-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246021447 807120731 /nfs/dbraw/zinc/12/07/31/807120731.db2.gz MOXLXMJVUCQPAI-KBPBESRZSA-N 2 0 254.374 0.448 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001246033849 807129170 /nfs/dbraw/zinc/12/91/70/807129170.db2.gz NRZNDSRRGYXGOT-JKSUJKDBSA-N 2 0 280.412 0.851 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058911 807136451 /nfs/dbraw/zinc/13/64/51/807136451.db2.gz HRODHPGNIVIJEO-MCIONIFRSA-N 2 0 254.374 0.624 20 30 CCEDRP N#C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246152476 807169060 /nfs/dbraw/zinc/16/90/60/807169060.db2.gz ZARDGHYBGCWIAF-IHRRRGAJSA-N 2 0 277.416 0.094 20 30 CCEDRP N#Cc1ccc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246190226 807181425 /nfs/dbraw/zinc/18/14/25/807181425.db2.gz CLTFQJAVTDMFNL-HNNXBMFYSA-N 2 0 270.380 0.784 20 30 CCEDRP N#Cc1ccc(C(=[NH2+])N[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246199653 807185126 /nfs/dbraw/zinc/18/51/26/807185126.db2.gz YIQNKQHPVSBRPS-ZDUSSCGKSA-N 2 0 269.352 0.358 20 30 CCEDRP C#Cc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246265699 807202557 /nfs/dbraw/zinc/20/25/57/807202557.db2.gz NOLJQAUYQPCULQ-OAHLLOKOSA-N 2 0 255.365 0.852 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246303571 807215331 /nfs/dbraw/zinc/21/53/31/807215331.db2.gz GYSNKMRHNUSJTB-CABZTGNLSA-N 2 0 261.325 0.929 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246310029 807218909 /nfs/dbraw/zinc/21/89/09/807218909.db2.gz YCYCSBGJZQOKIF-KBPBESRZSA-N 2 0 283.416 0.945 20 30 CCEDRP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246563935 807293527 /nfs/dbraw/zinc/29/35/27/807293527.db2.gz WCXVQEFNUGWSTO-YIYPIFLZSA-N 2 0 250.390 0.937 20 30 CCEDRP N#Cc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)nc1 ZINC001247858332 807495918 /nfs/dbraw/zinc/49/59/18/807495918.db2.gz LRQQUBMRCRYUHD-IAQYHMDHSA-N 2 0 296.334 0.454 20 30 CCEDRP C=C[C@@](C)(O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252549260 807906991 /nfs/dbraw/zinc/90/69/91/807906991.db2.gz DEQCOZRYHYHKBV-OAHLLOKOSA-N 2 0 267.417 0.635 20 30 CCEDRP C=C[C@](C)(O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252583669 807914314 /nfs/dbraw/zinc/91/43/14/807914314.db2.gz PUIBGXWUNYKJRB-YDHLFZDLSA-N 2 0 283.416 0.502 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252617646 807920682 /nfs/dbraw/zinc/92/06/82/807920682.db2.gz HQQSUGKUSPWRHS-AWEZNQCLSA-N 2 0 255.406 0.541 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689655 807994098 /nfs/dbraw/zinc/99/40/98/807994098.db2.gz GBZZZSXPSMUPRG-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001253214946 808036124 /nfs/dbraw/zinc/03/61/24/808036124.db2.gz TXRHQSMEYXHKKC-ZDUSSCGKSA-N 2 0 292.383 0.194 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728121 808077135 /nfs/dbraw/zinc/07/71/35/808077135.db2.gz BOGMYRSUQJSZDG-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C=C[C@@H](O)C[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001253607019 808095969 /nfs/dbraw/zinc/09/59/69/808095969.db2.gz QKFVFQLPPHSMCO-OAHLLOKOSA-N 2 0 295.427 0.600 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001278816343 808281862 /nfs/dbraw/zinc/28/18/62/808281862.db2.gz QFQZCBBIECZKKT-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024009 808623025 /nfs/dbraw/zinc/62/30/25/808623025.db2.gz FIOIYCRHWREIMN-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262566735 809345209 /nfs/dbraw/zinc/34/52/09/809345209.db2.gz YUGZLLXDJAGUPR-CQSZACIVSA-N 2 0 277.324 0.783 20 30 CCEDRP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264566800 809663272 /nfs/dbraw/zinc/66/32/72/809663272.db2.gz IHJOJKQGEVGROR-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265146034 809716304 /nfs/dbraw/zinc/71/63/04/809716304.db2.gz KFKZVZWQQOVSGA-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001265370319 809767203 /nfs/dbraw/zinc/76/72/03/809767203.db2.gz OUHQNAFYIZTKPU-GXTWGEPZSA-N 2 0 263.385 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265492025 809791606 /nfs/dbraw/zinc/79/16/06/809791606.db2.gz JDEIRMVOGQMCFD-JOCQHMNTSA-N 2 0 251.374 0.588 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001266027988 809920340 /nfs/dbraw/zinc/92/03/40/809920340.db2.gz FBJASEGMTDODAD-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100676346 811342099 /nfs/dbraw/zinc/34/20/99/811342099.db2.gz LRLUDMCXKRJNOU-WLYUNCDWSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267570485 811458098 /nfs/dbraw/zinc/45/80/98/811458098.db2.gz AQJHBJDARSVXGL-OAHLLOKOSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267630047 811587905 /nfs/dbraw/zinc/58/79/05/811587905.db2.gz WUFXYWBKWXTVEQ-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077300144 815476662 /nfs/dbraw/zinc/47/66/62/815476662.db2.gz ZEMJRIJDMYYMQJ-ZIAGYGMSSA-N 2 0 293.411 0.352 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001267837829 811826957 /nfs/dbraw/zinc/82/69/57/811826957.db2.gz WCKKCIVSHLOGGV-OAHLLOKOSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267948850 811883409 /nfs/dbraw/zinc/88/34/09/811883409.db2.gz WLILSTAOUOSXQI-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268009133 811947488 /nfs/dbraw/zinc/94/74/88/811947488.db2.gz FYGVCZBGJSRXAA-GJZGRUSLSA-N 2 0 297.443 0.564 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167814733 812164112 /nfs/dbraw/zinc/16/41/12/812164112.db2.gz CGPPRGKHFSCHSO-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268077860 812191555 /nfs/dbraw/zinc/19/15/55/812191555.db2.gz RBIZZMYVEQLFSB-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC#CCOC)C(C)C)[NH+](C)C ZINC001268210664 812365553 /nfs/dbraw/zinc/36/55/53/812365553.db2.gz GGKJJYGGNLYWRD-HUUCEWRRSA-N 2 0 297.443 0.707 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268329443 812493270 /nfs/dbraw/zinc/49/32/70/812493270.db2.gz UKQLYSYAAIQXOX-OAHLLOKOSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266599 812533363 /nfs/dbraw/zinc/53/33/63/812533363.db2.gz XXQSCPFRRYNSCF-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075644773 812780204 /nfs/dbraw/zinc/78/02/04/812780204.db2.gz AIGBTYFFWUTDGU-BFHYXJOUSA-N 2 0 279.384 0.036 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268537999 812780603 /nfs/dbraw/zinc/78/06/03/812780603.db2.gz DQCNDQBTKVWZBG-MBVDDHJVSA-N 2 0 275.396 0.614 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC=C ZINC001268733521 813049789 /nfs/dbraw/zinc/04/97/89/813049789.db2.gz HZNZEYGBHAQOSQ-KBPBESRZSA-N 2 0 263.385 0.707 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636851 813075226 /nfs/dbraw/zinc/07/52/26/813075226.db2.gz ROULNWRYDGAQIG-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268916172 813145629 /nfs/dbraw/zinc/14/56/29/813145629.db2.gz ZZPFKJWSPVPCTE-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001268965797 813161815 /nfs/dbraw/zinc/16/18/15/813161815.db2.gz WMEWQAFTYSZHPR-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658630 813175300 /nfs/dbraw/zinc/17/53/00/813175300.db2.gz BJUYQGISMMSYFQ-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001269489334 813390350 /nfs/dbraw/zinc/39/03/50/813390350.db2.gz MYVFFCGMTONHHR-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001269511418 813397932 /nfs/dbraw/zinc/39/79/32/813397932.db2.gz YAUXZXMABKAAOI-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001269653362 813463746 /nfs/dbraw/zinc/46/37/46/813463746.db2.gz XCTSRRNYBKSWPI-HNNXBMFYSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028986938 813726466 /nfs/dbraw/zinc/72/64/66/813726466.db2.gz VBXZQRRPZQVZDS-OLZOCXBDSA-N 2 0 251.374 0.562 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270968970 814102547 /nfs/dbraw/zinc/10/25/47/814102547.db2.gz WTQFAOPTMSIQAW-GXTWGEPZSA-N 2 0 263.385 0.398 20 30 CCEDRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001271113775 814157528 /nfs/dbraw/zinc/15/75/28/814157528.db2.gz SWQHMEGVIHPLKH-KGLIPLIRSA-N 2 0 283.416 0.413 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052063 814408745 /nfs/dbraw/zinc/40/87/45/814408745.db2.gz KPJUZXOKUZCJRV-UHFFFAOYSA-N 2 0 291.399 0.178 20 30 CCEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424872 814682092 /nfs/dbraw/zinc/68/20/92/814682092.db2.gz HVGLUNHTYNIHRI-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106244048 816681860 /nfs/dbraw/zinc/68/18/60/816681860.db2.gz FCAGVWNEIPWCRR-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689051 817245464 /nfs/dbraw/zinc/24/54/64/817245464.db2.gz QQJONMAHOOXASF-CABCVRRESA-N 2 0 293.411 0.474 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558564 817261836 /nfs/dbraw/zinc/26/18/36/817261836.db2.gz OEIFLMLYZWRUQE-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001031812731 817387970 /nfs/dbraw/zinc/38/79/70/817387970.db2.gz IJCPRETWBDGPFF-UHFFFAOYSA-N 2 0 275.396 0.686 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130650 817657700 /nfs/dbraw/zinc/65/77/00/817657700.db2.gz XLNBSKBYIGCMJI-UHFFFAOYSA-N 2 0 263.385 0.706 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC#C)C1 ZINC001033154288 818580768 /nfs/dbraw/zinc/58/07/68/818580768.db2.gz OJUVNUSFMOUYRE-CABCVRRESA-N 2 0 273.380 0.250 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128534122 818612805 /nfs/dbraw/zinc/61/28/05/818612805.db2.gz WCUVSJWQGKELFJ-LBPRGKRZSA-N 2 0 259.369 0.948 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662220 818882318 /nfs/dbraw/zinc/88/23/18/818882318.db2.gz PAEOMQKAAQMWLW-CHWSQXEVSA-N 2 0 251.374 0.657 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033786851 818935133 /nfs/dbraw/zinc/93/51/33/818935133.db2.gz ACESVRWGDYFMKT-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048256 819044230 /nfs/dbraw/zinc/04/42/30/819044230.db2.gz NRBMTHCJRKZLQX-GJZGRUSLSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738459 819318755 /nfs/dbraw/zinc/31/87/55/819318755.db2.gz SYUPYJATWKXKGJ-KBUPBQIOSA-N 2 0 277.412 0.834 20 30 CCEDRP CC[C@@H](C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706013743 819597030 /nfs/dbraw/zinc/59/70/30/819597030.db2.gz WITORNPEFYWTLL-BFHYXJOUSA-N 2 0 280.416 0.734 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035834783 819634366 /nfs/dbraw/zinc/63/43/66/819634366.db2.gz GVPMRJNGTWDUMC-UHFFFAOYSA-N 2 0 287.407 0.640 20 30 CCEDRP C[C@H](C#N)OCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710622751 819858124 /nfs/dbraw/zinc/85/81/24/819858124.db2.gz MDTYDTRNFICDTJ-GFCCVEGCSA-N 2 0 255.362 0.304 20 30 CCEDRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118203004 820095292 /nfs/dbraw/zinc/09/52/92/820095292.db2.gz KWZMJDDOWNQNBK-ZYHUDNBSSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080559121 820590976 /nfs/dbraw/zinc/59/09/76/820590976.db2.gz WBTXBFYLOCXJKP-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001085393783 821678435 /nfs/dbraw/zinc/67/84/35/821678435.db2.gz KLXGENREHMQUKA-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326995 822136528 /nfs/dbraw/zinc/13/65/28/822136528.db2.gz DHIXQQAPLLHTCQ-AWEZNQCLSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086367899 822227781 /nfs/dbraw/zinc/22/77/81/822227781.db2.gz JLKBDZCSIZNVAD-QEJZJMRPSA-N 2 0 275.396 0.446 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100079039 822244916 /nfs/dbraw/zinc/24/49/16/822244916.db2.gz SLDLGXJTEKVFHJ-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183648072 844054265 /nfs/dbraw/zinc/05/42/65/844054265.db2.gz ODYMSNUUBQZURK-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCOCCN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686530 837194495 /nfs/dbraw/zinc/19/44/95/837194495.db2.gz IIRCBMXGJVEUJY-UHFFFAOYSA-N 2 0 283.416 0.673 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491344 837893167 /nfs/dbraw/zinc/89/31/67/837893167.db2.gz ZRDRFXOSAUSCFZ-UONOGXRCSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cncc2C)CC[C@@H]1C ZINC001132977338 838528999 /nfs/dbraw/zinc/52/89/99/838528999.db2.gz LCIYWPORVUMSLH-DZGCQCFKSA-N 2 0 288.395 0.899 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297369 839200777 /nfs/dbraw/zinc/20/07/77/839200777.db2.gz ALLKZVWPCAAXQA-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135376003 839230689 /nfs/dbraw/zinc/23/06/89/839230689.db2.gz QDWYIAZZWQGIBS-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135743156 839387915 /nfs/dbraw/zinc/38/79/15/839387915.db2.gz GBCQTCLUNCOZDS-GJZGRUSLSA-N 2 0 297.443 0.851 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659010 844442675 /nfs/dbraw/zinc/44/26/75/844442675.db2.gz BIYVZMMZCXYLHW-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826458 840693431 /nfs/dbraw/zinc/69/34/31/840693431.db2.gz VVPKEIKJGKAHAF-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740984 840871161 /nfs/dbraw/zinc/87/11/61/840871161.db2.gz VBBMJEPTNVARKW-PBHICJAKSA-N 2 0 289.423 0.884 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H]1C#N ZINC001186986900 844623054 /nfs/dbraw/zinc/62/30/54/844623054.db2.gz KIYAPKXBRLHEMY-NXEZZACHSA-N 2 0 251.334 0.210 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001150334641 842170635 /nfs/dbraw/zinc/17/06/35/842170635.db2.gz YWAASLMVIDVSNZ-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001176185249 842332934 /nfs/dbraw/zinc/33/29/34/842332934.db2.gz VHYYIVPVXQBCGU-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189793289 845209655 /nfs/dbraw/zinc/20/96/55/845209655.db2.gz AAWYKKGVVYBONL-UONOGXRCSA-N 2 0 281.400 0.283 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192005600 845770796 /nfs/dbraw/zinc/77/07/96/845770796.db2.gz CCIRDIWKAGYHPY-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462802 846082145 /nfs/dbraw/zinc/08/21/45/846082145.db2.gz PZSCIZWQALCBHL-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193828689 846161085 /nfs/dbraw/zinc/16/10/85/846161085.db2.gz UUVIYTVLUYREFY-HUUCEWRRSA-N 2 0 295.427 0.598 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193961210 846188646 /nfs/dbraw/zinc/18/86/46/846188646.db2.gz MOKBTOMMPLOJSL-KFWWJZLASA-N 2 0 297.443 0.700 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C(C)C)CC1 ZINC001152329730 846892596 /nfs/dbraw/zinc/89/25/96/846892596.db2.gz ADMNDMLVDRIZFO-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200696908 847680994 /nfs/dbraw/zinc/68/09/94/847680994.db2.gz WRBWLPDXSSVKMA-HNNXBMFYSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001273912849 847826878 /nfs/dbraw/zinc/82/68/78/847826878.db2.gz ZJHYGJLNHVPPPQ-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201924058 847837534 /nfs/dbraw/zinc/83/75/34/847837534.db2.gz BDBPDULRBXCGRG-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225148 847871080 /nfs/dbraw/zinc/87/10/80/847871080.db2.gz RNWHSZCATWOXME-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353223 848023184 /nfs/dbraw/zinc/02/31/84/848023184.db2.gz OFPCFAVJUAQZCJ-LJISPDSOSA-N 2 0 295.402 0.736 20 30 CCEDRP C=CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274936154 848596785 /nfs/dbraw/zinc/59/67/85/848596785.db2.gz CVIRAYCYRMOUQG-CQSZACIVSA-N 2 0 295.427 0.457 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135023 848646022 /nfs/dbraw/zinc/64/60/22/848646022.db2.gz DYSNQEVCNMJURD-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047529032 851803998 /nfs/dbraw/zinc/80/39/98/851803998.db2.gz NTEQKKSQWGDERD-ILXRZTDVSA-N 2 0 295.427 0.550 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048724249 852031546 /nfs/dbraw/zinc/03/15/46/852031546.db2.gz XGISVBNWVBAFLL-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024772 852140518 /nfs/dbraw/zinc/14/05/18/852140518.db2.gz BETSDCBKCBDASY-IYBDPMFKSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049212229 852193340 /nfs/dbraw/zinc/19/33/40/852193340.db2.gz AEWJKWDSOZDFNS-SOUVJXGZSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001096584973 852391302 /nfs/dbraw/zinc/39/13/02/852391302.db2.gz ZTNNWZZGMVVXGU-QPSCCSFWSA-N 2 0 291.395 0.062 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050754537 853424020 /nfs/dbraw/zinc/42/40/20/853424020.db2.gz YUVKXKNGOFPAKH-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001050754815 853424376 /nfs/dbraw/zinc/42/43/76/853424376.db2.gz DXXLLIIFNJDVQE-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072981277 854508188 /nfs/dbraw/zinc/50/81/88/854508188.db2.gz CGVMIMMKSWNOEU-CABCVRRESA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072990777 854509897 /nfs/dbraw/zinc/50/98/97/854509897.db2.gz FYCXCQUXSMZSII-ZDUSSCGKSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974045 855057869 /nfs/dbraw/zinc/05/78/69/855057869.db2.gz MNRXYAQQMPPOGE-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989655 855063015 /nfs/dbraw/zinc/06/30/15/855063015.db2.gz TUTBUGCKVVKBJJ-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041396 855080198 /nfs/dbraw/zinc/08/01/98/855080198.db2.gz IUZWFGXHKFICSD-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100126825 855104004 /nfs/dbraw/zinc/10/40/04/855104004.db2.gz NMGKQIRLZXQBBG-LSDHHAIUSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405616 855161830 /nfs/dbraw/zinc/16/18/30/855161830.db2.gz FJZIUMCEEVBYHS-UHFFFAOYSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCN2CC#C)C1 ZINC001100415468 855163657 /nfs/dbraw/zinc/16/36/57/855163657.db2.gz SGMNGQOJNQXUKM-GPANFISMSA-N 2 0 287.407 0.592 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100771038 855221485 /nfs/dbraw/zinc/22/14/85/855221485.db2.gz VLSCYSQETZHHAU-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318842 855428094 /nfs/dbraw/zinc/42/80/94/855428094.db2.gz MHTWLSZNCJGRNC-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524568 855442619 /nfs/dbraw/zinc/44/26/19/855442619.db2.gz MBEYAAXSAXFICB-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579558 855446832 /nfs/dbraw/zinc/44/68/32/855446832.db2.gz DMXPRWSUXOOJAM-ZIAGYGMSSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396645 855518605 /nfs/dbraw/zinc/51/86/05/855518605.db2.gz BZVHNGCXJNCCTG-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115162266 855649055 /nfs/dbraw/zinc/64/90/55/855649055.db2.gz UMZPVZUNMVCAKS-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+](C)C ZINC001120467263 857080000 /nfs/dbraw/zinc/08/00/00/857080000.db2.gz HKVFMIGVIBHKFX-UHFFFAOYSA-N 2 0 273.380 0.977 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325127690 913234294 /nfs/dbraw/zinc/23/42/94/913234294.db2.gz XCOUUCXSNSODPR-OAHLLOKOSA-N 2 0 283.416 0.457 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481424050 892640634 /nfs/dbraw/zinc/64/06/34/892640634.db2.gz NBKLHBUSYVSIJG-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481492684 892741727 /nfs/dbraw/zinc/74/17/27/892741727.db2.gz XKBYOUXTSJLOQB-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+]CCN(CCO)C(=O)CC1CC[NH+](C)CC1 ZINC001326104321 913751083 /nfs/dbraw/zinc/75/10/83/913751083.db2.gz SNEMBXZKZBXWEP-UHFFFAOYSA-N 2 0 295.427 0.152 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481980421 893296432 /nfs/dbraw/zinc/29/64/32/893296432.db2.gz ZUBFRZCETNZWIZ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482323778 893862336 /nfs/dbraw/zinc/86/23/36/893862336.db2.gz QVAAWRSTWKVBIY-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482428826 893974501 /nfs/dbraw/zinc/97/45/01/893974501.db2.gz MBZIDRPTYCBUHS-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001502074291 894021003 /nfs/dbraw/zinc/02/10/03/894021003.db2.gz DBUAGUQZFWDDFN-OAHLLOKOSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001482553573 894232296 /nfs/dbraw/zinc/23/22/96/894232296.db2.gz NIECEVAVSIVFRO-ZIAGYGMSSA-N 2 0 265.401 0.692 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482728100 894549541 /nfs/dbraw/zinc/54/95/41/894549541.db2.gz DZSMHODNNSBLRQ-UONOGXRCSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506923358 894938150 /nfs/dbraw/zinc/93/81/50/894938150.db2.gz QRWXZRGZVVOFID-BFHYXJOUSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483226599 895140023 /nfs/dbraw/zinc/14/00/23/895140023.db2.gz BFFTXFLAZLZSRR-UONOGXRCSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001483782676 896056576 /nfs/dbraw/zinc/05/65/76/896056576.db2.gz CTYBEODJHWMOIH-UHFFFAOYSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484355031 896352858 /nfs/dbraw/zinc/35/28/58/896352858.db2.gz NVWOGWQSGSHEGX-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485195900 896854322 /nfs/dbraw/zinc/85/43/22/896854322.db2.gz BAXYCAOFRDBBKA-STQMWFEESA-N 2 0 291.399 0.174 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485645760 897163173 /nfs/dbraw/zinc/16/31/73/897163173.db2.gz WCUMKQWLCPXNEP-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CCN1CC[C@@]2(CC[N@@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272887833 898122013 /nfs/dbraw/zinc/12/20/13/898122013.db2.gz KPLWTIPOGZJNOK-QGZVFWFLSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485877760 898484904 /nfs/dbraw/zinc/48/49/04/898484904.db2.gz OHYLHZXWEZZYFS-BFHYXJOUSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001486498237 898912682 /nfs/dbraw/zinc/91/26/82/898912682.db2.gz OCZYBUNMPHNACF-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC001326047293 900053373 /nfs/dbraw/zinc/05/33/73/900053373.db2.gz QMXHEKUYITUXPK-QWRGUYRKSA-N 2 0 252.362 0.512 20 30 CCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001490515474 900657405 /nfs/dbraw/zinc/65/74/05/900657405.db2.gz UEUJHTBKFLVMQO-HNNXBMFYSA-N 2 0 294.443 0.248 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001327564293 914623850 /nfs/dbraw/zinc/62/38/50/914623850.db2.gz QBGYCXMRCBCNQI-FMKPAKJESA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385024 902685072 /nfs/dbraw/zinc/68/50/72/902685072.db2.gz AFHSKZGZHMFSRV-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491029961 903300044 /nfs/dbraw/zinc/30/00/44/903300044.db2.gz MLHFVIFNWVPVCM-FRRDWIJNSA-N 2 0 251.374 0.587 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491049657 903312081 /nfs/dbraw/zinc/31/20/81/903312081.db2.gz CCHKZNQOVBIZQH-OKILXGFUSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001491061573 903315106 /nfs/dbraw/zinc/31/51/06/903315106.db2.gz OFEQDNBNJDBOKT-GASCZTMLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001491561488 903961985 /nfs/dbraw/zinc/96/19/85/903961985.db2.gz XIUXCPPRDDUXKO-IHRRRGAJSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331531110 903996398 /nfs/dbraw/zinc/99/63/98/903996398.db2.gz PPQAPNWMSHYMAA-IHRRRGAJSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281184436 904240732 /nfs/dbraw/zinc/24/07/32/904240732.db2.gz JXAKBEFEWBHMPG-HOCLYGCPSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282015029 904388219 /nfs/dbraw/zinc/38/82/19/904388219.db2.gz UEWBGDHPOMTARN-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282493158 904491889 /nfs/dbraw/zinc/49/18/89/904491889.db2.gz AUIUEDWISMSQLZ-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282718237 904529613 /nfs/dbraw/zinc/52/96/13/904529613.db2.gz XQNRRLQKMHBEOO-CYBMUJFWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001283042775 904680297 /nfs/dbraw/zinc/68/02/97/904680297.db2.gz RRQYSRPTVCYEPH-MQMHXKEQSA-N 2 0 274.368 0.850 20 30 CCEDRP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001283102206 904694591 /nfs/dbraw/zinc/69/45/91/904694591.db2.gz YYPWEWQNLUGTPR-JOCQHMNTSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001283492172 904871482 /nfs/dbraw/zinc/87/14/82/904871482.db2.gz HHKUTMVMEYHVJD-UONOGXRCSA-N 2 0 281.400 0.330 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283556057 904907651 /nfs/dbraw/zinc/90/76/51/904907651.db2.gz KDGMGDCCOMJGCN-GJZGRUSLSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001284417171 905282171 /nfs/dbraw/zinc/28/21/71/905282171.db2.gz MKPUCCIFRJAXIC-HUUCEWRRSA-N 2 0 295.427 0.291 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCC[N@H+](C)C1CCCC1 ZINC001311919484 908572050 /nfs/dbraw/zinc/57/20/50/908572050.db2.gz USBOBJWWRBJWKF-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@H+](C)C1CC1 ZINC001311899066 908574565 /nfs/dbraw/zinc/57/45/65/908574565.db2.gz GNTNHYCMXCCTFU-GFCCVEGCSA-N 2 0 266.389 0.333 20 30 CCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317527386 908596151 /nfs/dbraw/zinc/59/61/51/908596151.db2.gz CUNXZATYDVYHKR-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317192193 909035016 /nfs/dbraw/zinc/03/50/16/909035016.db2.gz CRILIEUVJKFWMV-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317534245 909304246 /nfs/dbraw/zinc/30/42/46/909304246.db2.gz JTXAHUWKLBBIDX-CABCVRRESA-N 2 0 293.411 0.026 20 30 CCEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317665391 909458847 /nfs/dbraw/zinc/45/88/47/909458847.db2.gz TVALBXRAXIYHFE-HNNXBMFYSA-N 2 0 297.443 0.969 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001318538994 909808337 /nfs/dbraw/zinc/80/83/37/909808337.db2.gz AYCUQYYIOTUVIK-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319167343 910014797 /nfs/dbraw/zinc/01/47/97/910014797.db2.gz KUBHFVUYJMNMFK-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001319998772 910409018 /nfs/dbraw/zinc/40/90/18/910409018.db2.gz CAXGGVXHODNKDY-ZIAGYGMSSA-N 2 0 265.401 0.740 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC)CC1 ZINC001321418407 911290882 /nfs/dbraw/zinc/29/08/82/911290882.db2.gz ZNMWBXIRLCCZPG-AATRIKPKSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001321759922 911478440 /nfs/dbraw/zinc/47/84/40/911478440.db2.gz HVPBQVXFIDUKKR-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321847811 911526116 /nfs/dbraw/zinc/52/61/16/911526116.db2.gz BFTVANRFLPDLPJ-DZGCQCFKSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001323001627 912063425 /nfs/dbraw/zinc/06/34/25/912063425.db2.gz ZGYGYBJMRYRMDZ-YUELXQCFSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001322999149 912065148 /nfs/dbraw/zinc/06/51/48/912065148.db2.gz FMJOFJBAHFLXKB-BNOWGMLFSA-N 2 0 263.385 0.444 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001323035104 912081256 /nfs/dbraw/zinc/08/12/56/912081256.db2.gz UQSFEENEXHCGFF-AWEZNQCLSA-N 2 0 275.396 0.732 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001329168938 915722424 /nfs/dbraw/zinc/72/24/24/915722424.db2.gz OCEKUWJPIHYTSZ-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975896 917774447 /nfs/dbraw/zinc/77/44/47/917774447.db2.gz KANVLAAKZVHIAG-LSDHHAIUSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001332475643 918193344 /nfs/dbraw/zinc/19/33/44/918193344.db2.gz BTFHFFWHHHXSIM-UHFFFAOYSA-N 2 0 251.374 0.588 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001335353542 920140858 /nfs/dbraw/zinc/14/08/58/920140858.db2.gz SQAAXFOUZYAEAG-CQSZACIVSA-N 2 0 280.416 0.268 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001335398896 920171047 /nfs/dbraw/zinc/17/10/47/920171047.db2.gz UOTIGLAKAYLQBD-GFCCVEGCSA-N 2 0 269.389 0.333 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2([NH2+]C)CCC2)CC1 ZINC001340077055 921948473 /nfs/dbraw/zinc/94/84/73/921948473.db2.gz MSVSPALRGMAKBB-UHFFFAOYSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC001340240525 922019593 /nfs/dbraw/zinc/01/95/93/922019593.db2.gz JHDYDIGSYPRVHC-AWEZNQCLSA-N 2 0 282.432 0.424 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340573502 922125099 /nfs/dbraw/zinc/12/50/99/922125099.db2.gz MSNGXVOVOMNFNU-LBPRGKRZSA-N 2 0 264.373 0.610 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001340852742 922245160 /nfs/dbraw/zinc/24/51/60/922245160.db2.gz ISVIIALEXGQWMM-OLZOCXBDSA-N 2 0 269.389 0.507 20 30 CCEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H]1[NH3+] ZINC001341081541 922341014 /nfs/dbraw/zinc/34/10/14/922341014.db2.gz ZJVFULWISMZWCQ-QWRGUYRKSA-N 2 0 252.362 0.593 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341845826 922692340 /nfs/dbraw/zinc/69/23/40/922692340.db2.gz SPUXYLYXXOTCQR-RYUDHWBXSA-N 2 0 255.362 0.246 20 30 CCEDRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001346493249 924237316 /nfs/dbraw/zinc/23/73/16/924237316.db2.gz PHIBWBKMRFQMBM-VXGBXAGGSA-N 2 0 252.362 0.466 20 30 CCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCCCCC1 ZINC000092278687 349487998 /nfs/dbraw/zinc/48/79/98/349487998.db2.gz SJYHKPXMEAHHTL-AWEZNQCLSA-N 2 0 279.432 0.613 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH+]2CCCC2)CC1 ZINC000063732431 348691374 /nfs/dbraw/zinc/69/13/74/348691374.db2.gz BWHYNEQWSAVROG-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1(C#N)CC1 ZINC000590221726 359431670 /nfs/dbraw/zinc/43/16/70/359431670.db2.gz PVKMMRHGKKMBSE-UHFFFAOYSA-N 2 0 266.389 0.632 20 30 CCEDRP CN(C)c1ncc(C[NH2+]C2CCN(CC#N)CC2)n1C ZINC000591835370 359663582 /nfs/dbraw/zinc/66/35/82/359663582.db2.gz MQPYDLHZBAEECF-UHFFFAOYSA-N 2 0 276.388 0.564 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000592245429 359804003 /nfs/dbraw/zinc/80/40/03/359804003.db2.gz IOUPUHXHQRENKV-NWDGAFQWSA-N 2 0 252.362 0.464 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH+](C)CC1 ZINC000594437481 360306210 /nfs/dbraw/zinc/30/62/10/360306210.db2.gz CJCDQSUJRXFPGR-ZDUSSCGKSA-N 2 0 266.389 0.950 20 30 CCEDRP CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594446334 360313338 /nfs/dbraw/zinc/31/33/38/360313338.db2.gz QXGROSZFTIDUPB-ZDUSSCGKSA-N 2 0 266.389 0.998 20 30 CCEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000598730626 361501359 /nfs/dbraw/zinc/50/13/59/361501359.db2.gz XUDRYBGHGASZNI-OLZOCXBDSA-N 2 0 269.389 0.333 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358498660 389152625 /nfs/dbraw/zinc/15/26/25/389152625.db2.gz LXICGEWOZJJQOT-UHFFFAOYSA-N 2 0 280.372 0.074 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264283338 389318110 /nfs/dbraw/zinc/31/81/10/389318110.db2.gz OGPXDEGYYWYJQJ-AWEZNQCLSA-N 2 0 292.431 0.741 20 30 CCEDRP N#Cc1cccc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1 ZINC000264540751 389335100 /nfs/dbraw/zinc/33/51/00/389335100.db2.gz APAZPKFUBRMDPT-OAHLLOKOSA-N 2 0 286.379 0.988 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@](C)(O)c1ccco1 ZINC000262495273 389287220 /nfs/dbraw/zinc/28/72/20/389287220.db2.gz ZZGRAAYCXHJXEK-WFASDCNBSA-N 2 0 294.399 0.604 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cccn1 ZINC000264066202 389303933 /nfs/dbraw/zinc/30/39/33/389303933.db2.gz FELHOUKVDHYKSX-ZDUSSCGKSA-N 2 0 278.404 0.662 20 30 CCEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000267425622 389371456 /nfs/dbraw/zinc/37/14/56/389371456.db2.gz LMVZOVNODXATJX-CYBMUJFWSA-N 2 0 291.399 0.668 20 30 CCEDRP CNC(NCc1ccnc(OCC[NH+](C)C)c1)=[NH+]C ZINC000270598828 389434382 /nfs/dbraw/zinc/43/43/82/389434382.db2.gz VFUPZODZFVKGFZ-UHFFFAOYSA-N 2 0 265.361 0.317 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@H](C)[NH3+])CC2)C1=O ZINC000420295166 389979469 /nfs/dbraw/zinc/97/94/69/389979469.db2.gz PCNJNKXQLHPOKJ-AAEUAGOBSA-N 2 0 251.374 0.833 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390609 389996267 /nfs/dbraw/zinc/99/62/67/389996267.db2.gz ZLHPPZOCGOUKKB-AEGPPILISA-N 2 0 295.427 0.895 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000491405278 390112934 /nfs/dbraw/zinc/11/29/34/390112934.db2.gz HWQZRFDPOXJFMZ-HNNXBMFYSA-N 2 0 294.443 0.973 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCC#N ZINC000543380842 390281712 /nfs/dbraw/zinc/28/17/12/390281712.db2.gz XCYOYPZCPHHAJG-UHFFFAOYSA-N 2 0 269.393 0.425 20 30 CCEDRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000568751553 390715008 /nfs/dbraw/zinc/71/50/08/390715008.db2.gz FCBMZVMZKKTQLA-ZDUSSCGKSA-N 2 0 266.389 0.950 20 30 CCEDRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000578497978 390886628 /nfs/dbraw/zinc/88/66/28/390886628.db2.gz TZKNEPIDASPQCK-CHWSQXEVSA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)N1CC[NH+](C)CC1 ZINC000190959665 130164832 /nfs/dbraw/zinc/16/48/32/130164832.db2.gz LLITXISVPYBIPE-ZDUSSCGKSA-N 2 0 275.400 0.622 20 30 CCEDRP CN1CCC([N@@H+]2CC[C@H](Nc3ccncc3C#N)C2)CC1 ZINC000368373345 144221055 /nfs/dbraw/zinc/22/10/55/144221055.db2.gz CXGWIAWIGJNYQU-AWEZNQCLSA-N 2 0 285.395 0.956 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000662771485 414778434 /nfs/dbraw/zinc/77/84/34/414778434.db2.gz XUTLPUASKPYWFB-SGMGOOAPSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCC[NH2+]1 ZINC000662774365 414781957 /nfs/dbraw/zinc/78/19/57/414781957.db2.gz NXFJCMYEOGMFGL-MBNYWOFBSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662405227 414715086 /nfs/dbraw/zinc/71/50/86/414715086.db2.gz KZQOJMZSICFHQD-TZMCWYRMSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662782200 414788272 /nfs/dbraw/zinc/78/82/72/414788272.db2.gz CFJUPHNYEOQHPD-MBNYWOFBSA-N 2 0 251.374 0.928 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]1 ZINC000662781094 414788362 /nfs/dbraw/zinc/78/83/62/414788362.db2.gz WIBYAQKVTOZTPO-GMXVVIOVSA-N 2 0 255.337 0.501 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000367665800 267107088 /nfs/dbraw/zinc/10/70/88/267107088.db2.gz LYDKNAWOMVDRCS-ZDUSSCGKSA-N 2 0 267.373 0.132 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1noc(C)n1 ZINC000262332778 328149026 /nfs/dbraw/zinc/14/90/26/328149026.db2.gz BHCMHHAMHGEJSG-JTQLQIEISA-N 2 0 266.349 0.267 20 30 CCEDRP CC[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)N(C)C ZINC000262167253 330001261 /nfs/dbraw/zinc/00/12/61/330001261.db2.gz BWDJTDPRPUJXMY-ZDUSSCGKSA-N 2 0 270.421 0.870 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262241463 330002544 /nfs/dbraw/zinc/00/25/44/330002544.db2.gz HUJIKARYZLPMRG-LLVKDONJSA-N 2 0 291.403 0.113 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C#N ZINC000262319239 330005706 /nfs/dbraw/zinc/00/57/06/330005706.db2.gz QNWQLKQKKNFJIW-LLVKDONJSA-N 2 0 251.378 0.925 20 30 CCEDRP CSC1(CNC(=[NH2+])NC2CC2)CC[NH+](C)CC1 ZINC000262377732 330011791 /nfs/dbraw/zinc/01/17/91/330011791.db2.gz NRNBYDJBIYERSE-UHFFFAOYSA-N 2 0 256.419 0.881 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@H](COC)C1 ZINC000262478703 330016433 /nfs/dbraw/zinc/01/64/33/330016433.db2.gz QXVHKAHOQHQJCX-CYBMUJFWSA-N 2 0 268.405 0.626 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[N@H+](C)C1 ZINC000262792199 330031705 /nfs/dbraw/zinc/03/17/05/330031705.db2.gz KXSRONBZUXVTEO-RYUDHWBXSA-N 2 0 254.378 0.140 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C)O1 ZINC000263151142 330046155 /nfs/dbraw/zinc/04/61/55/330046155.db2.gz PLYSKHVZDGHSTH-UPJWGTAASA-N 2 0 268.405 0.943 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000424064504 330218973 /nfs/dbraw/zinc/21/89/73/330218973.db2.gz ZPMOOVKWZQLKHQ-NSHDSACASA-N 2 0 252.362 0.785 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424151676 330297176 /nfs/dbraw/zinc/29/71/76/330297176.db2.gz HMHZNGWJFSMEHV-VXGBXAGGSA-N 2 0 252.362 0.560 20 30 CCEDRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424133936 330266232 /nfs/dbraw/zinc/26/62/32/330266232.db2.gz MYHSGVYLJGHVTI-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[N@@H+]1C1CC1 ZINC000424137628 330274838 /nfs/dbraw/zinc/27/48/38/330274838.db2.gz BCJJHBOCRFKSBA-MDZLAQPJSA-N 2 0 264.373 0.749 20 30 CCEDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CSCC#N ZINC000058969114 330393334 /nfs/dbraw/zinc/39/33/34/330393334.db2.gz LMHXIWRSQCUGRN-UHFFFAOYSA-N 2 0 298.456 0.728 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000491164607 332159191 /nfs/dbraw/zinc/15/91/91/332159191.db2.gz CTBILHFKHZRHBS-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000491201507 332164577 /nfs/dbraw/zinc/16/45/77/332164577.db2.gz IHELZIXOBXHABJ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491631326 332254011 /nfs/dbraw/zinc/25/40/11/332254011.db2.gz NYOGILAVBAUSMX-HIFRSBDPSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000491646843 332263743 /nfs/dbraw/zinc/26/37/43/332263743.db2.gz VHQCJWPIALVDJC-SOUVJXGZSA-N 2 0 292.427 0.710 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCCC[C@H]2C=C)CC1 ZINC000491740140 332319355 /nfs/dbraw/zinc/31/93/55/332319355.db2.gz QPOOXBFGHJZPET-OAHLLOKOSA-N 2 0 275.396 0.804 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000524943346 333393714 /nfs/dbraw/zinc/39/37/14/333393714.db2.gz BRCBHSVIZGBABC-UHFFFAOYSA-N 2 0 252.362 0.432 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000764580638 582056942 /nfs/dbraw/zinc/05/69/42/582056942.db2.gz ZYVMOKBQTZJVAY-ZDUSSCGKSA-N 2 0 253.390 0.904 20 30 CCEDRP C[C@H](CNC(=[NH2+])N(C)C1CC1)N1CC[NH+](C)CC1 ZINC000305805898 649879926 /nfs/dbraw/zinc/87/99/26/649879926.db2.gz GLZKUEYFALDVNG-LLVKDONJSA-N 2 0 253.394 0.031 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000791301840 581213362 /nfs/dbraw/zinc/21/33/62/581213362.db2.gz SEPPNSWFWHZMDN-CQSZACIVSA-N 2 0 283.416 0.577 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CC[NH3+])C1=O ZINC000420308818 581580748 /nfs/dbraw/zinc/58/07/48/581580748.db2.gz DLHHHCYKQIHGDO-OLZOCXBDSA-N 2 0 251.374 0.977 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000764287486 582041068 /nfs/dbraw/zinc/04/10/68/582041068.db2.gz GXMJPUJVICFSGI-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000764608857 582058520 /nfs/dbraw/zinc/05/85/20/582058520.db2.gz QKBLUKLGCYDQRD-RYUDHWBXSA-N 2 0 251.374 0.846 20 30 CCEDRP CN(CCCCCC[NH3+])C(=O)[C@H]([NH3+])CCCC#N ZINC000877437315 616072331 /nfs/dbraw/zinc/07/23/31/616072331.db2.gz APLNFWHZJLKYNN-GFCCVEGCSA-N 2 0 254.378 0.985 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981958167 613003874 /nfs/dbraw/zinc/00/38/74/613003874.db2.gz BPXAHHUAUYGUDS-HUUCEWRRSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000965912366 612954844 /nfs/dbraw/zinc/95/48/44/612954844.db2.gz NGJAEBRYNOEJDB-BAYAOMGESA-N 2 0 275.396 0.588 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+](C)CCOC ZINC000876728596 613387870 /nfs/dbraw/zinc/38/78/70/613387870.db2.gz QJNMEHULSXLJJO-LLVKDONJSA-N 2 0 277.796 0.541 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000876986037 613389747 /nfs/dbraw/zinc/38/97/47/613389747.db2.gz WWZNGOGWZSAWRN-JBLDHEPKSA-N 2 0 257.765 0.796 20 30 CCEDRP C[C@@H](C#N)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875477592 617296306 /nfs/dbraw/zinc/29/63/06/617296306.db2.gz NFQBLIYLPRFQKK-BFHYXJOUSA-N 2 0 295.431 0.527 20 30 CCEDRP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886573242 613066479 /nfs/dbraw/zinc/06/64/79/613066479.db2.gz BJTUFZPISRHLFW-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN(C(=O)NC[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000914393884 613067375 /nfs/dbraw/zinc/06/73/75/613067375.db2.gz RHEKPBUDLPLJLM-HNNXBMFYSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCF)C2)CC1 ZINC000970792608 613129056 /nfs/dbraw/zinc/12/90/56/613129056.db2.gz PQDMVOCGBFDTPK-CQSZACIVSA-N 2 0 281.375 0.492 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000855410125 613130298 /nfs/dbraw/zinc/13/02/98/613130298.db2.gz CNGFVPZSDIDDAE-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000928444032 613131112 /nfs/dbraw/zinc/13/11/12/613131112.db2.gz IJNYDBSYWDQZEU-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000928444030 613131646 /nfs/dbraw/zinc/13/16/46/613131646.db2.gz IJNYDBSYWDQZEU-JSGCOSHPSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000928654428 613136003 /nfs/dbraw/zinc/13/60/03/613136003.db2.gz ATDJJPBZFZDTRX-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000905656842 613137953 /nfs/dbraw/zinc/13/79/53/613137953.db2.gz SYEFNJRROCFPRE-UHFFFAOYSA-N 2 0 294.468 0.642 20 30 CCEDRP C#Cc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000819356939 613201172 /nfs/dbraw/zinc/20/11/72/613201172.db2.gz JBVFGLBCEPNZTJ-QGZVFWFLSA-N 2 0 287.407 0.366 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849034588 613220267 /nfs/dbraw/zinc/22/02/67/613220267.db2.gz ZJTMKEUJUJFHPS-ZDUSSCGKSA-N 2 0 294.399 0.791 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962279209 613314292 /nfs/dbraw/zinc/31/42/92/613314292.db2.gz IEONWAYAESNPAT-CXTNEJHOSA-N 2 0 261.369 0.008 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960697795 613319690 /nfs/dbraw/zinc/31/96/90/613319690.db2.gz KLEOKBAIBLGMRC-ZSHCYNCHSA-N 2 0 294.358 0.936 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC12CCC[NH+]1CCC2 ZINC000834752315 613366514 /nfs/dbraw/zinc/36/65/14/613366514.db2.gz MJTNNFHCTDACHY-UHFFFAOYSA-N 2 0 251.374 0.849 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000876773578 613390032 /nfs/dbraw/zinc/39/00/32/613390032.db2.gz AKXBDXCBDWRGEM-LBPRGKRZSA-N 2 0 289.807 0.683 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549147 613590699 /nfs/dbraw/zinc/59/06/99/613590699.db2.gz NKLFMARTEGVVSG-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282761 613590940 /nfs/dbraw/zinc/59/09/40/613590940.db2.gz XQCNHHSXZJIVKQ-STQMWFEESA-N 2 0 269.389 0.100 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923411840 613591097 /nfs/dbraw/zinc/59/10/97/613591097.db2.gz SNIURNKXDPDVTP-OLZOCXBDSA-N 2 0 265.361 0.311 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977962527 613628482 /nfs/dbraw/zinc/62/84/82/613628482.db2.gz YJEBKSDLNGYDOE-XQLPTFJDSA-N 2 0 275.396 0.398 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000960002088 613637188 /nfs/dbraw/zinc/63/71/88/613637188.db2.gz MBXYIIJNJSLOMA-AALSBFMBSA-N 2 0 289.423 0.786 20 30 CCEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC(C[NH3+])C[NH3+] ZINC000923350996 613651858 /nfs/dbraw/zinc/65/18/58/613651858.db2.gz DPIBUPRLTZKHEG-LLVKDONJSA-N 2 0 296.440 0.527 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931480990 613777913 /nfs/dbraw/zinc/77/79/13/613777913.db2.gz AXMBMJRWOXUWHU-ZDUSSCGKSA-N 2 0 281.400 0.162 20 30 CCEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977588339 613807591 /nfs/dbraw/zinc/80/75/91/613807591.db2.gz NMMKBXJPHSTEAW-CHWSQXEVSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCNC(=[NH2+])NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000849022700 613844791 /nfs/dbraw/zinc/84/47/91/613844791.db2.gz SUXLQSAUSLVFED-LBPRGKRZSA-N 2 0 254.378 0.787 20 30 CCEDRP CC(C)(C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@H]([NH3+])c1ccccc1 ZINC000841850021 614301633 /nfs/dbraw/zinc/30/16/33/614301633.db2.gz UNOHEIZOSDEPAP-MGPQQGTHSA-N 2 0 286.379 0.940 20 30 CCEDRP CCCC[C@@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852799043 614473223 /nfs/dbraw/zinc/47/32/23/614473223.db2.gz RGOCITBGPJYZCG-ZDUSSCGKSA-N 2 0 251.374 0.623 20 30 CCEDRP CC1(C)CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH2+]C1 ZINC000877153520 614573979 /nfs/dbraw/zinc/57/39/79/614573979.db2.gz IAOZWMIMDXBWQW-NEPJUHHUSA-N 2 0 266.389 0.902 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884412875 614710172 /nfs/dbraw/zinc/71/01/72/614710172.db2.gz CLNRRHXLCBZSLL-MYMJJRTCSA-N 2 0 290.411 0.726 20 30 CCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884304030 614806880 /nfs/dbraw/zinc/80/68/80/614806880.db2.gz DUPYCXXLNRTPDM-OOLXCHQQSA-N 2 0 276.384 0.382 20 30 CCEDRP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000834493602 614904083 /nfs/dbraw/zinc/90/40/83/614904083.db2.gz FTFHBGIYHAJBKC-KFWWJZLASA-N 2 0 286.379 0.907 20 30 CCEDRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000931479648 615872887 /nfs/dbraw/zinc/87/28/87/615872887.db2.gz XJQQJVGMJRBCSW-CQSZACIVSA-N 2 0 295.427 0.820 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)CC2(C#N)CC2)C[C@H]1C[NH+](C)C ZINC000870016828 615928591 /nfs/dbraw/zinc/92/85/91/615928591.db2.gz BQEHEWNJRWIFOQ-ZIAGYGMSSA-N 2 0 292.427 0.878 20 30 CCEDRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194309 615957692 /nfs/dbraw/zinc/95/76/92/615957692.db2.gz DJRKCFFXJCUTTR-GHMZBOCLSA-N 2 0 278.381 0.651 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452244 616199407 /nfs/dbraw/zinc/19/94/07/616199407.db2.gz VDPLSBRYNBSSLD-HUUCEWRRSA-N 2 0 275.396 0.685 20 30 CCEDRP COCC#CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126171 616527502 /nfs/dbraw/zinc/52/75/02/616527502.db2.gz VAUUXIFBSUPIBR-UHFFFAOYSA-N 2 0 268.401 0.926 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001026420560 625440452 /nfs/dbraw/zinc/44/04/52/625440452.db2.gz IZDNEKNAEFQDRR-RRFJBIMHSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001026560714 625472391 /nfs/dbraw/zinc/47/23/91/625472391.db2.gz CJFCYMUHSALVNL-WLYUNCDWSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001022880101 622829979 /nfs/dbraw/zinc/82/99/79/622829979.db2.gz HERZADPLPZODCJ-OKILXGFUSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001022975693 622874780 /nfs/dbraw/zinc/87/47/80/622874780.db2.gz RMIBFCCLKZAAID-BYNSBNAKSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001022975695 622875051 /nfs/dbraw/zinc/87/50/51/622875051.db2.gz RMIBFCCLKZAAID-XQLPTFJDSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023272806 622974537 /nfs/dbraw/zinc/97/45/37/622974537.db2.gz DUGNVTUCIBCVRE-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023275668 622976616 /nfs/dbraw/zinc/97/66/16/622976616.db2.gz QNGUJRZHEJRSEJ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019774734 623907924 /nfs/dbraw/zinc/90/79/24/623907924.db2.gz GBFCJGCLZKBBPM-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021046058 624652497 /nfs/dbraw/zinc/65/24/97/624652497.db2.gz MULZHSCGEAAECQ-JOCQHMNTSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)CC1 ZINC001021090423 624658116 /nfs/dbraw/zinc/65/81/16/624658116.db2.gz VGGBABNYPXVLPF-HDJSIYSDSA-N 2 0 281.375 0.538 20 30 CCEDRP C[NH+]=C(NCC(C)(C)C(N)=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262005875 625013236 /nfs/dbraw/zinc/01/32/36/625013236.db2.gz VOPWIEXYGAPMDM-ZYHUDNBSSA-N 2 0 295.431 0.146 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001022533621 625014177 /nfs/dbraw/zinc/01/41/77/625014177.db2.gz APARDZVJFVWZKB-BETUJISGSA-N 2 0 263.385 0.731 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262003725 631750108 /nfs/dbraw/zinc/75/01/08/631750108.db2.gz QNWADNJBUNPQFD-LBPRGKRZSA-N 2 0 256.394 0.576 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCOCC1 ZINC000303881687 632492862 /nfs/dbraw/zinc/49/28/62/632492862.db2.gz HUBJJITZZADIOE-GFCCVEGCSA-N 2 0 254.378 0.508 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170913003 637105571 /nfs/dbraw/zinc/10/55/71/637105571.db2.gz BSGFVMWGHQETIR-ZDUSSCGKSA-N 2 0 290.415 0.834 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000195105 639051627 /nfs/dbraw/zinc/05/16/27/639051627.db2.gz XKBQXKVSJYKATQ-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003629463 639579425 /nfs/dbraw/zinc/57/94/25/639579425.db2.gz BFAHGWNJKKBUJF-GXTWGEPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003632545 639581760 /nfs/dbraw/zinc/58/17/60/639581760.db2.gz ARROVFYGDJEYIS-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003632553 639582848 /nfs/dbraw/zinc/58/28/48/639582848.db2.gz ARROVFYGDJEYIS-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005178322 639886576 /nfs/dbraw/zinc/88/65/76/639886576.db2.gz HSAAXBMKFAOXHK-AWEZNQCLSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015705447 650611852 /nfs/dbraw/zinc/61/18/52/650611852.db2.gz LJVWFDRTGLADSJ-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015702072 650612297 /nfs/dbraw/zinc/61/22/97/650612297.db2.gz LLYRSENFZHUQSG-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016808177 650762627 /nfs/dbraw/zinc/76/26/27/650762627.db2.gz PIUIQGXHVOOBDH-HNNXBMFYSA-N 2 0 289.423 0.932 20 30 CCEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCCCCC1 ZINC000834490107 642580493 /nfs/dbraw/zinc/58/04/93/642580493.db2.gz RXLCHLYTTCMNKB-JHJVBQTASA-N 2 0 264.373 0.479 20 30 CCEDRP C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1C[NH3+] ZINC000852798985 644002847 /nfs/dbraw/zinc/00/28/47/644002847.db2.gz PNWMXIYNUXJLEL-JSGCOSHPSA-N 2 0 263.385 0.575 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852828424 644013509 /nfs/dbraw/zinc/01/35/09/644013509.db2.gz XRDJTTDKUZUMJB-ZJUUUORDSA-N 2 0 276.365 0.235 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](C2CC2)CC1 ZINC000852857269 644026607 /nfs/dbraw/zinc/02/66/07/644026607.db2.gz NUWWAYVKVKLORF-UHFFFAOYSA-N 2 0 275.396 0.732 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000852874728 644036592 /nfs/dbraw/zinc/03/65/92/644036592.db2.gz NUXXCJNILVBWBB-UHFFFAOYSA-N 2 0 275.396 0.592 20 30 CCEDRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852880197 644039887 /nfs/dbraw/zinc/03/98/87/644039887.db2.gz KASSKPSPEIMQKJ-TYNCELHUSA-N 2 0 263.385 0.492 20 30 CCEDRP C[C@@H]1C[C@@H](C)N(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852893336 644046793 /nfs/dbraw/zinc/04/67/93/644046793.db2.gz NZESPQWSGLCBRN-UMVBOHGHSA-N 2 0 277.412 0.821 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000876801345 646669130 /nfs/dbraw/zinc/66/91/30/646669130.db2.gz BKWZGYBPHNMALU-NWDGAFQWSA-N 2 0 262.357 0.090 20 30 CCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876935356 646701491 /nfs/dbraw/zinc/70/14/91/646701491.db2.gz RTYPBGWGBCYUDR-PGUXBMHVSA-N 2 0 286.379 0.987 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168799 646745646 /nfs/dbraw/zinc/74/56/46/646745646.db2.gz UJLFJYHKUKZNGJ-YDHLFZDLSA-N 2 0 282.347 0.318 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171546 646746703 /nfs/dbraw/zinc/74/67/03/646746703.db2.gz AIKTUHHOMMFUMT-LZWOXQAQSA-N 2 0 296.374 0.708 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)C2 ZINC000884299525 647701545 /nfs/dbraw/zinc/70/15/45/647701545.db2.gz WPXVKPFYHNLOQU-QRVCZOOMSA-N 2 0 298.337 0.239 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](C[NH3+])C1CCCC1)C2 ZINC000884336572 647711374 /nfs/dbraw/zinc/71/13/74/647711374.db2.gz SGKFRGMAIMUXBJ-MYMJJRTCSA-N 2 0 290.411 0.759 20 30 CCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884338287 647711463 /nfs/dbraw/zinc/71/14/63/647711463.db2.gz CVRSNWXTVOPFFO-WVIDZAQPSA-N 2 0 278.400 0.615 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCCCC[NH3+])C2 ZINC000884375646 647722715 /nfs/dbraw/zinc/72/27/15/647722715.db2.gz HJSAIPRWDDJOPJ-OWYJLGKBSA-N 2 0 278.400 0.761 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1(C[NH3+])CCCCC1)C2 ZINC000884464065 647744643 /nfs/dbraw/zinc/74/46/43/647744643.db2.gz BXYHGZBMYGKUIJ-JVWICGRDSA-N 2 0 290.411 0.904 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000104172549 648204227 /nfs/dbraw/zinc/20/42/27/648204227.db2.gz CQEMSSBZEZGGJA-QWRGUYRKSA-N 2 0 254.378 0.410 20 30 CCEDRP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487069 648995007 /nfs/dbraw/zinc/99/50/07/648995007.db2.gz PXBSIPXLADBMQR-ZDUSSCGKSA-N 2 0 296.415 0.135 20 30 CCEDRP C=CCNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303264325 649813588 /nfs/dbraw/zinc/81/35/88/649813588.db2.gz SDZFNCOPRUAYLH-RYUDHWBXSA-N 2 0 254.378 0.576 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NC2CC2)CC1 ZINC000303372489 649817396 /nfs/dbraw/zinc/81/73/96/649817396.db2.gz LRHVXQQPBYYQHU-NSHDSACASA-N 2 0 253.394 0.079 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000303369486 649817513 /nfs/dbraw/zinc/81/75/13/649817513.db2.gz JQGXLXFSYREVGB-KBPBESRZSA-N 2 0 283.464 0.963 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303869641 649825806 /nfs/dbraw/zinc/82/58/06/649825806.db2.gz FBFRPXYPEDRZEZ-AWEZNQCLSA-N 2 0 299.463 0.201 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCC(C)C ZINC000304822819 649839419 /nfs/dbraw/zinc/83/94/19/649839419.db2.gz DCNBWHSPPINHNA-GFCCVEGCSA-N 2 0 258.410 0.904 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266352850 790570012 /nfs/dbraw/zinc/57/00/12/790570012.db2.gz JFDVEVIGSPFVKB-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001266411769 790657040 /nfs/dbraw/zinc/65/70/40/790657040.db2.gz DLYMSXNQXLJJAQ-AWEZNQCLSA-N 2 0 263.385 0.588 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266428250 790687228 /nfs/dbraw/zinc/68/72/28/790687228.db2.gz NRFHCCZHSYGKKM-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100459164 790889524 /nfs/dbraw/zinc/88/95/24/790889524.db2.gz SQSYXFWHOKNAGG-UHFFFAOYSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001266950310 791385248 /nfs/dbraw/zinc/38/52/48/791385248.db2.gz TZXWMFAOBBTQDV-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001267117095 791557981 /nfs/dbraw/zinc/55/79/81/791557981.db2.gz MUIBFTZDUIBIMR-UHFFFAOYSA-N 2 0 269.389 0.024 20 30 CCEDRP C#CC[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001267215641 791686398 /nfs/dbraw/zinc/68/63/98/791686398.db2.gz NIOAGCZFEWHEOR-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026323 807123228 /nfs/dbraw/zinc/12/32/28/807123228.db2.gz FBUHNSXQCJXMKD-ZDUSSCGKSA-N 2 0 253.390 0.341 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246029267 807127216 /nfs/dbraw/zinc/12/72/16/807127216.db2.gz LMYCLNYTDJQDOB-BFHYXJOUSA-N 2 0 256.390 0.857 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277863721 806267491 /nfs/dbraw/zinc/26/74/91/806267491.db2.gz RDSWHIIPMJHIRQ-QWHCGFSZSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC001122071080 799135555 /nfs/dbraw/zinc/13/55/55/799135555.db2.gz PFZMPTAKBVXNEW-GXTWGEPZSA-N 2 0 275.327 0.302 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]([NH3+])C1)C2 ZINC001122159971 799157094 /nfs/dbraw/zinc/15/70/94/799157094.db2.gz DDCFCXOXIVDPNG-BEVNXUHPSA-N 2 0 262.357 0.075 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001124835590 799638895 /nfs/dbraw/zinc/63/88/95/799638895.db2.gz BHGZLTSQQQDSDW-OAHLLOKOSA-N 2 0 286.379 0.858 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242341 800327092 /nfs/dbraw/zinc/32/70/92/800327092.db2.gz WAOMBAIQSSQSDF-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716271 800363025 /nfs/dbraw/zinc/36/30/25/800363025.db2.gz QEMGCYDOFNWXPJ-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151152389 800405136 /nfs/dbraw/zinc/40/51/36/800405136.db2.gz RITVDLNXZKZDLU-NSHDSACASA-N 2 0 289.807 0.413 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033852 800708412 /nfs/dbraw/zinc/70/84/12/800708412.db2.gz PARVTXHTQJZMMP-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239317814 806886389 /nfs/dbraw/zinc/88/63/89/806886389.db2.gz KAZWOUXMUWHHTB-NSHDSACASA-N 2 0 253.346 0.773 20 30 CCEDRP N#Cc1c[nH]c2ncnc(NC(=[NH2+])NCCCC[NH3+])c12 ZINC001157094199 801299062 /nfs/dbraw/zinc/29/90/62/801299062.db2.gz NKEBGRBPKIHNHI-UHFFFAOYSA-N 2 0 272.316 0.505 20 30 CCEDRP N#C[C@H]1CCCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160636534 801984493 /nfs/dbraw/zinc/98/44/93/801984493.db2.gz HYIUDPHXYZBRLY-VXGBXAGGSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161649852 802192086 /nfs/dbraw/zinc/19/20/86/802192086.db2.gz YZMHBFIMNLKSGV-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795994 802224135 /nfs/dbraw/zinc/22/41/35/802224135.db2.gz WBZNLCVBDLEQAE-UHFFFAOYSA-N 2 0 263.385 0.734 20 30 CCEDRP Cc1nc(Cl)nc(NCCC[NH2+]CCCC[NH3+])c1C#N ZINC001162292483 802302073 /nfs/dbraw/zinc/30/20/73/802302073.db2.gz OTGSADMIECZIHY-UHFFFAOYSA-N 2 0 296.806 0.863 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162316737 802315934 /nfs/dbraw/zinc/31/59/34/802315934.db2.gz LDRPOBWPNOEWQT-UHFFFAOYSA-N 2 0 283.335 0.610 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268258000 812425471 /nfs/dbraw/zinc/42/54/71/812425471.db2.gz ZKHLFIRPJCYHCJ-ZDUSSCGKSA-N 2 0 251.374 0.352 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281154 803223219 /nfs/dbraw/zinc/22/32/19/803223219.db2.gz CXKHHAOLCMYJSE-UKRRQHHQSA-N 2 0 277.412 0.646 20 30 CCEDRP CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206476978 803250045 /nfs/dbraw/zinc/25/00/45/803250045.db2.gz ZRNUVPNUYBWXDW-GOEBONIOSA-N 2 0 288.395 0.788 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547347 803418874 /nfs/dbraw/zinc/41/88/74/803418874.db2.gz TWSGHIUQTWJROM-MRVWCRGKSA-N 2 0 265.401 0.949 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207683924 803436699 /nfs/dbraw/zinc/43/66/99/803436699.db2.gz IEKCLIHSYGGNOX-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208062968 803484540 /nfs/dbraw/zinc/48/45/40/803484540.db2.gz HWVBKMRXWVGOCH-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208493317 803518473 /nfs/dbraw/zinc/51/84/73/803518473.db2.gz ZFEQYYNMBQTNSL-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211055104 803666297 /nfs/dbraw/zinc/66/62/97/803666297.db2.gz YOPNIGHTNQBFFJ-QLFBSQMISA-N 2 0 293.411 0.024 20 30 CCEDRP N#Cc1cccc2[nH]nc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c21 ZINC001218656670 804066841 /nfs/dbraw/zinc/06/68/41/804066841.db2.gz JQZKYBOIRDRAER-VIFPVBQESA-N 2 0 272.312 0.439 20 30 CCEDRP C[NH2+]CCNC(=O)[C@@H]1C[C@@H](Cc2ccccc2C#N)C[NH2+]1 ZINC001220054711 804486734 /nfs/dbraw/zinc/48/67/34/804486734.db2.gz OVJDJEILIXKGBB-DOMZBBRYSA-N 2 0 286.379 0.414 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC001220500802 804616685 /nfs/dbraw/zinc/61/66/85/804616685.db2.gz KUQGBBGTIDZBCL-GDBMZVCRSA-N 2 0 271.364 0.948 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001220765726 804662022 /nfs/dbraw/zinc/66/20/22/804662022.db2.gz DLYBNKCTSGHJHU-FZMZJTMJSA-N 2 0 253.390 0.854 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001276815665 804655933 /nfs/dbraw/zinc/65/59/33/804655933.db2.gz VRDYDWSUHWIJSU-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081937 804728518 /nfs/dbraw/zinc/72/85/18/804728518.db2.gz ZCQWEVRDXXFOAK-CABCVRRESA-N 2 0 293.411 0.047 20 30 CCEDRP C=CC[NH2+]CCN1CC[NH2+]C[C@@]2(CCCCN2)C1 ZINC001222669047 804924874 /nfs/dbraw/zinc/92/48/74/804924874.db2.gz RBGOBMYSUQOSLG-AWEZNQCLSA-N 2 0 252.406 0.180 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223388170 804969020 /nfs/dbraw/zinc/96/90/20/804969020.db2.gz ZMVVBWADZNKITN-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278368751 807042602 /nfs/dbraw/zinc/04/26/02/807042602.db2.gz GRWMZKKYSQMTDK-HOCLYGCPSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001226775640 805280482 /nfs/dbraw/zinc/28/04/82/805280482.db2.gz VCJMNULOQMUTJD-RBSFLKMASA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228053208 805411503 /nfs/dbraw/zinc/41/15/03/805411503.db2.gz AEAMCWXBCDYATI-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001277292068 805439218 /nfs/dbraw/zinc/43/92/18/805439218.db2.gz UUMWHFAEBSRGHK-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984282 807106464 /nfs/dbraw/zinc/10/64/64/807106464.db2.gz IVVTZSCPXAZBDC-ZIAGYGMSSA-N 2 0 267.417 0.777 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984275 807107123 /nfs/dbraw/zinc/10/71/23/807107123.db2.gz IVVTZSCPXAZBDC-KGLIPLIRSA-N 2 0 267.417 0.777 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985119 807107212 /nfs/dbraw/zinc/10/72/12/807107212.db2.gz KWIHUIGRUJXIOL-UONOGXRCSA-N 2 0 283.416 0.014 20 30 CCEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1 ZINC001246556975 807285467 /nfs/dbraw/zinc/28/54/67/807285467.db2.gz IWCMKTVPAGDZKT-RWMBFGLXSA-N 2 0 254.353 0.783 20 30 CCEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582641 807304162 /nfs/dbraw/zinc/30/41/62/807304162.db2.gz HEKQDZSMTPJMRB-CQDKDKBSSA-N 2 0 259.353 0.741 20 30 CCEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246583208 807305053 /nfs/dbraw/zinc/30/50/53/807305053.db2.gz ISBXIBRVYKYZHW-CQDKDKBSSA-N 2 0 259.353 0.741 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001278613709 807622468 /nfs/dbraw/zinc/62/24/68/807622468.db2.gz NFYHUROCKNIPLH-CABCVRRESA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCOC[C@@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001251851317 807720354 /nfs/dbraw/zinc/72/03/54/807720354.db2.gz ITXDAGRZQGEHCB-INIZCTEOSA-N 2 0 299.459 0.203 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001251893702 807738704 /nfs/dbraw/zinc/73/87/04/807738704.db2.gz HRYXIWILCXJVLC-HNNXBMFYSA-N 2 0 268.401 0.707 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001251896189 807739823 /nfs/dbraw/zinc/73/98/23/807739823.db2.gz COWVFPXDHRVNNO-MRXNPFEDSA-N 2 0 280.412 0.851 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001252483296 807888992 /nfs/dbraw/zinc/88/89/92/807888992.db2.gz SEIJKBAZKUVVOK-KGLIPLIRSA-N 2 0 256.390 0.871 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252488434 807891381 /nfs/dbraw/zinc/89/13/81/807891381.db2.gz MZRBUQAAEZFHFD-HNNXBMFYSA-N 2 0 285.432 0.166 20 30 CCEDRP C=C[C@@](C)(O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252549136 807905808 /nfs/dbraw/zinc/90/58/08/807905808.db2.gz CEIXEJKKSLGYHE-RRFJBIMHSA-N 2 0 267.417 0.634 20 30 CCEDRP C[NH+](C)CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254654503 808269681 /nfs/dbraw/zinc/26/96/81/808269681.db2.gz UXXLJGWEMPLCEU-ZIAGYGMSSA-N 2 0 250.390 0.858 20 30 CCEDRP C#CCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256618880 808542206 /nfs/dbraw/zinc/54/22/06/808542206.db2.gz QHBBPMDGYCOQQS-GOOCMWNKSA-N 2 0 266.385 0.868 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024008 808623152 /nfs/dbraw/zinc/62/31/52/808623152.db2.gz FIOIYCRHWREIMN-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001263861578 809591301 /nfs/dbraw/zinc/59/13/01/809591301.db2.gz FRMQCYMDEHPZIV-FVQBIDKESA-N 2 0 289.423 0.836 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001264404920 809651665 /nfs/dbraw/zinc/65/16/65/809651665.db2.gz QSYRJHXDUCUMKA-GASCZTMLSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001265377903 809768095 /nfs/dbraw/zinc/76/80/95/809768095.db2.gz DVATVRVBEDIUMC-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001265844012 809872523 /nfs/dbraw/zinc/87/25/23/809872523.db2.gz QXSMPGCEWLVVLZ-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)COC)CC1 ZINC001265870313 809880773 /nfs/dbraw/zinc/88/07/73/809880773.db2.gz NKPYXPHQAZARCG-UONOGXRCSA-N 2 0 295.427 0.461 20 30 CCEDRP COCC#CC[N@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC001265962339 809906532 /nfs/dbraw/zinc/90/65/32/809906532.db2.gz YYGXUWJYTBBDRM-UHFFFAOYSA-N 2 0 292.383 0.349 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001266175075 809956039 /nfs/dbraw/zinc/95/60/39/809956039.db2.gz DCYZEQHNIKBRIT-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001267275579 811080239 /nfs/dbraw/zinc/08/02/39/811080239.db2.gz XYGNICMUZGUKBN-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282736 811092285 /nfs/dbraw/zinc/09/22/85/811092285.db2.gz SSDMFSLTDOJVKO-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001267612411 811563352 /nfs/dbraw/zinc/56/33/52/811563352.db2.gz JJYMNPJHYQWWRJ-UHFFFAOYSA-N 2 0 296.459 0.590 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267970704 811905195 /nfs/dbraw/zinc/90/51/95/811905195.db2.gz TXICILHLOLNMCV-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027884019 812115911 /nfs/dbraw/zinc/11/59/11/812115911.db2.gz FQRVCZCFFGTTLE-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886844 812119111 /nfs/dbraw/zinc/11/91/11/812119111.db2.gz YPKQAKBWELMILV-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001268797950 813091386 /nfs/dbraw/zinc/09/13/86/813091386.db2.gz CERIHIXSMMGBDK-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268906731 813140249 /nfs/dbraw/zinc/14/02/49/813140249.db2.gz VJFDQSQWVULCQJ-AWEZNQCLSA-N 2 0 281.400 0.189 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001268956923 813158415 /nfs/dbraw/zinc/15/84/15/813158415.db2.gz ANHPOKWLWCHVKB-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001268958695 813159007 /nfs/dbraw/zinc/15/90/07/813159007.db2.gz LYSJWDQNEJHLDE-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028987224 813727059 /nfs/dbraw/zinc/72/70/59/813727059.db2.gz WKINHRDIKWGJPJ-KBPBESRZSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270969014 814102920 /nfs/dbraw/zinc/10/29/20/814102920.db2.gz WTQFAOPTMSIQAW-JSGCOSHPSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573765 814168561 /nfs/dbraw/zinc/16/85/61/814168561.db2.gz DABBLOQHGLOYPX-OWCLPIDISA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1CC ZINC001087711231 814193027 /nfs/dbraw/zinc/19/30/27/814193027.db2.gz SAAZBXDZCBYEQS-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090584 814402739 /nfs/dbraw/zinc/40/27/39/814402739.db2.gz WMNBVPZBFBOBBT-CVEARBPZSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572166 814923537 /nfs/dbraw/zinc/92/35/37/814923537.db2.gz ZSOKKMLUYIABTD-KBMXLJTQSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945014 816019427 /nfs/dbraw/zinc/01/94/27/816019427.db2.gz HWEKUSSFSPAERL-MCIONIFRSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981469 816201193 /nfs/dbraw/zinc/20/11/93/816201193.db2.gz VDHUSMMRTNFDJQ-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001272301550 816286425 /nfs/dbraw/zinc/28/64/25/816286425.db2.gz JXALWHBIGFKUJK-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030964314 816511716 /nfs/dbraw/zinc/51/17/16/816511716.db2.gz ULHPECPBGJFZGZ-YPMHNXCESA-N 2 0 251.374 0.561 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127479673 817151988 /nfs/dbraw/zinc/15/19/88/817151988.db2.gz DWORENWMLMXLSN-ZDUSSCGKSA-N 2 0 251.374 0.610 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CC3)C2)CC1 ZINC001032207265 817703195 /nfs/dbraw/zinc/70/31/95/817703195.db2.gz JXGSBSJGDVZYNZ-UHFFFAOYSA-N 2 0 289.423 0.790 20 30 CCEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CN(C)CCO1 ZINC001125221414 817732149 /nfs/dbraw/zinc/73/21/49/817732149.db2.gz QDBWUQHBRQUJLX-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785560 817867582 /nfs/dbraw/zinc/86/75/82/817867582.db2.gz NAPKZIBIXBKNDD-OLZOCXBDSA-N 2 0 267.373 0.132 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832729 818527650 /nfs/dbraw/zinc/52/76/50/818527650.db2.gz SKOVSMZFLGALKY-ILXRZTDVSA-N 2 0 295.427 0.597 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034724318 819312437 /nfs/dbraw/zinc/31/24/37/819312437.db2.gz JYSTXNRUYVCTMF-SHTZXODSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035313026 819463298 /nfs/dbraw/zinc/46/32/98/819463298.db2.gz LWZFZVGJYRHTET-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377322 820555723 /nfs/dbraw/zinc/55/57/23/820555723.db2.gz LKUJECKZMVVOEZ-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080449468 820574205 /nfs/dbraw/zinc/57/42/05/820574205.db2.gz MGJIPZFKIFXNJP-RRFJBIMHSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001082595252 821004894 /nfs/dbraw/zinc/00/48/94/821004894.db2.gz CTRFBNBJEWQYJO-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001084667442 821344174 /nfs/dbraw/zinc/34/41/74/821344174.db2.gz DRNGENANAKWVFV-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973706 821677595 /nfs/dbraw/zinc/67/75/95/821677595.db2.gz HPLJGRMXSLMXMH-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001273343109 821765583 /nfs/dbraw/zinc/76/55/83/821765583.db2.gz UEEVLVQPEPQZMR-AWEZNQCLSA-N 2 0 293.411 0.475 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189083 837719669 /nfs/dbraw/zinc/71/96/69/837719669.db2.gz NCWUQHIPQXPLNG-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187824968 844777647 /nfs/dbraw/zinc/77/76/47/844777647.db2.gz DQKYOJANSUEPCP-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCOCCOCC[NH2+]C1CC[NH+](CC)CC1 ZINC001169239280 836171453 /nfs/dbraw/zinc/17/14/53/836171453.db2.gz WPXLASQBNUZWGL-UHFFFAOYSA-N 2 0 254.374 0.727 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363029 836522810 /nfs/dbraw/zinc/52/28/10/836522810.db2.gz DLIWGDPWRDWDPF-HNNXBMFYSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673932 836714397 /nfs/dbraw/zinc/71/43/97/836714397.db2.gz UKMMNLACYKEKAG-RDBSUJKOSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCCN1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571314 837162129 /nfs/dbraw/zinc/16/21/29/837162129.db2.gz HEAFNVXHNZQDBG-UHFFFAOYSA-N 2 0 265.401 0.886 20 30 CCEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc[nH+]c(CC#N)c2)O1 ZINC001170282010 837290848 /nfs/dbraw/zinc/29/08/48/837290848.db2.gz JCKOHDWLYOOZTF-RBSFLKMASA-N 2 0 290.367 0.706 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848603 838505666 /nfs/dbraw/zinc/50/56/66/838505666.db2.gz MLXXABYMVRVVEA-AWEZNQCLSA-N 2 0 283.416 0.768 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133863793 838752803 /nfs/dbraw/zinc/75/28/03/838752803.db2.gz POOPYEZOCNWNED-STQMWFEESA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608117 839025240 /nfs/dbraw/zinc/02/52/40/839025240.db2.gz QXIPEZNFXGRITM-QWHCGFSZSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093831 839163454 /nfs/dbraw/zinc/16/34/54/839163454.db2.gz STHKLBBXDGQMAO-QWHCGFSZSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093832 839163671 /nfs/dbraw/zinc/16/36/71/839163671.db2.gz STHKLBBXDGQMAO-STQMWFEESA-N 2 0 251.374 0.895 20 30 CCEDRP N#Cc1nc(Cl)c(N[C@H]([NH3+])CCC[NH3+])nc1C#N ZINC001159785778 839577519 /nfs/dbraw/zinc/57/75/19/839577519.db2.gz SRXCIIDBWPAWRV-QMMMGPOBSA-N 2 0 265.708 0.309 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246019928 839582234 /nfs/dbraw/zinc/58/22/34/839582234.db2.gz JBNPXOTZVRZKMF-MELADBBJSA-N 2 0 254.374 0.304 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001185789140 844459176 /nfs/dbraw/zinc/45/91/76/844459176.db2.gz SKXAOMQAPWYJMP-HUUCEWRRSA-N 2 0 288.395 0.981 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731658 839759651 /nfs/dbraw/zinc/75/96/51/839759651.db2.gz UMSBXRKGLFCZMD-ZIAGYGMSSA-N 2 0 293.411 0.210 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171159932 840004601 /nfs/dbraw/zinc/00/46/01/840004601.db2.gz AMGJIUCLBYVMJH-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001091213911 840139202 /nfs/dbraw/zinc/13/92/02/840139202.db2.gz VPUMCVDZWARCRK-UHFFFAOYSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227348 840151482 /nfs/dbraw/zinc/15/14/82/840151482.db2.gz OEPJHFWPMHIALP-CQSZACIVSA-N 2 0 283.416 0.627 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146391319 840292901 /nfs/dbraw/zinc/29/29/01/840292901.db2.gz BPZKJXNCTUYMJJ-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP N#Cc1cccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001147971246 840724779 /nfs/dbraw/zinc/72/47/79/840724779.db2.gz XPMLRDPMBLQUSF-UHFFFAOYSA-N 2 0 298.390 0.860 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194919 841170887 /nfs/dbraw/zinc/17/08/87/841170887.db2.gz GMZSKJLMVSPXKI-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193401 841170998 /nfs/dbraw/zinc/17/09/98/841170998.db2.gz ICKQPXAHOCSJDD-MGPQQGTHSA-N 2 0 265.401 0.808 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001176465401 842371403 /nfs/dbraw/zinc/37/14/03/842371403.db2.gz DQCLMXVDKKGHEZ-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176855533 842449301 /nfs/dbraw/zinc/44/93/01/842449301.db2.gz BJPHEXUTTJJKTK-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971795 842473835 /nfs/dbraw/zinc/47/38/35/842473835.db2.gz IEEHWNBREKYYCW-UHFFFAOYSA-N 2 0 271.405 0.625 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538896 843017124 /nfs/dbraw/zinc/01/71/24/843017124.db2.gz KHMMYKDJFVQCLT-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179744425 843044341 /nfs/dbraw/zinc/04/43/41/843044341.db2.gz PWDOWDLYFIPMRN-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179852165 843063730 /nfs/dbraw/zinc/06/37/30/843063730.db2.gz BHIZGTLLOYKAHE-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180259955 843134430 /nfs/dbraw/zinc/13/44/30/843134430.db2.gz PXJDJMIKCAFIND-CQSZACIVSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180259954 843134952 /nfs/dbraw/zinc/13/49/52/843134952.db2.gz PXJDJMIKCAFIND-AWEZNQCLSA-N 2 0 265.401 0.838 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106759 844645524 /nfs/dbraw/zinc/64/55/24/844645524.db2.gz KSSPGFLXKXDUDQ-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841930 844778075 /nfs/dbraw/zinc/77/80/75/844778075.db2.gz FLOCVVJJRSBBBA-CQSZACIVSA-N 2 0 281.400 0.475 20 30 CCEDRP CC[C@H](C(=O)N(C)CCC[N@H+](C)CC#CCOC)[NH+](C)C ZINC001273577752 845103075 /nfs/dbraw/zinc/10/30/75/845103075.db2.gz DHGQDHWBFFCDRB-OAHLLOKOSA-N 2 0 297.443 0.757 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444270 845400215 /nfs/dbraw/zinc/40/02/15/845400215.db2.gz QARLMQVSRSFJCV-UONOGXRCSA-N 2 0 283.391 0.832 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194457872 846293894 /nfs/dbraw/zinc/29/38/94/846293894.db2.gz CIGOTWNARLKUBD-CYBMUJFWSA-N 2 0 260.341 0.439 20 30 CCEDRP C=CC[C@@H](C(=O)OC)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001196788949 846801869 /nfs/dbraw/zinc/80/18/69/846801869.db2.gz FVZJQQCZPQQCGW-AGIUHOORSA-N 2 0 252.358 0.988 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606831 847673320 /nfs/dbraw/zinc/67/33/20/847673320.db2.gz WXIIKGOOTDDYCY-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796090 847694390 /nfs/dbraw/zinc/69/43/90/847694390.db2.gz SLHRSXBYSACXQN-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201411618 847776819 /nfs/dbraw/zinc/77/68/19/847776819.db2.gz SLHRSXBYSACXQN-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001273895023 847782634 /nfs/dbraw/zinc/78/26/34/847782634.db2.gz ZUOJJJDHCZRPEF-ZBFHGGJFSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059479 847850795 /nfs/dbraw/zinc/85/07/95/847850795.db2.gz PWTVOPBPSNZABY-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202056757 847851130 /nfs/dbraw/zinc/85/11/30/847851130.db2.gz BLGVKJXGPKYXKO-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2CCCC#N)C1=O ZINC001274039557 848314475 /nfs/dbraw/zinc/31/44/75/848314475.db2.gz GJCOXOZFOFTCCF-OAHLLOKOSA-N 2 0 278.400 0.919 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC#CCOC)[C@@H](C)C1 ZINC001274280963 848438534 /nfs/dbraw/zinc/43/85/34/848438534.db2.gz QFGCJVGPEJDXTG-GJZGRUSLSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275468556 848728918 /nfs/dbraw/zinc/72/89/18/848728918.db2.gz DGXCQUJZZDXQMY-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001275975448 848878172 /nfs/dbraw/zinc/87/81/72/848878172.db2.gz DGVPDDNVRDIMRQ-KBPBESRZSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111228902 849101641 /nfs/dbraw/zinc/10/16/41/849101641.db2.gz SKWNMARCHXNWHY-MCIONIFRSA-N 2 0 263.385 0.683 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281582 849150063 /nfs/dbraw/zinc/15/00/63/849150063.db2.gz YVNGWMZGXQIRRK-KFWWJZLASA-N 2 0 293.411 0.309 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038925739 850086494 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0.740 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048864342 852089292 /nfs/dbraw/zinc/08/92/92/852089292.db2.gz XFXCMRNUUKGRJA-QLFBSQMISA-N 2 0 275.396 0.350 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392251 852256084 /nfs/dbraw/zinc/25/60/84/852256084.db2.gz WTQTUDDJEZITMR-RBSFLKMASA-N 2 0 291.395 0.016 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001052934117 852674053 /nfs/dbraw/zinc/67/40/53/852674053.db2.gz IBWNAGVJSLYUKM-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050754535 853424225 /nfs/dbraw/zinc/42/42/25/853424225.db2.gz YUVKXKNGOFPAKH-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874351 855016696 /nfs/dbraw/zinc/01/66/96/855016696.db2.gz JWJMBNOOPJSUJQ-ZIAGYGMSSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100066095 855089692 /nfs/dbraw/zinc/08/96/92/855089692.db2.gz CAIYWLFMIUFCEY-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076136 855093345 /nfs/dbraw/zinc/09/33/45/855093345.db2.gz GYXIDYUHBAUELD-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083104 855098533 /nfs/dbraw/zinc/09/85/33/855098533.db2.gz NGERIRQMMUASHM-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534925 855184030 /nfs/dbraw/zinc/18/40/30/855184030.db2.gz GRSSMSHCMGPSCT-AVVWSFFYSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047409 855411079 /nfs/dbraw/zinc/41/10/79/855411079.db2.gz GEKIWOSCWXZRAW-YUELXQCFSA-N 2 0 277.412 0.644 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290857 855426249 /nfs/dbraw/zinc/42/62/49/855426249.db2.gz XCXLFTYGWLSPKO-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292977 855658764 /nfs/dbraw/zinc/65/87/64/855658764.db2.gz ZAWRIMZEEISGIP-QLPKVWCKSA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001118199061 856198105 /nfs/dbraw/zinc/19/81/05/856198105.db2.gz AHFUDPXPPMAFRB-MNOVXSKESA-N 2 0 250.346 0.266 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001323617401 912450323 /nfs/dbraw/zinc/45/03/23/912450323.db2.gz XLPBIQXXGXOPRX-UHFFFAOYSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001324853592 913065272 /nfs/dbraw/zinc/06/52/72/913065272.db2.gz ZMLXTMVKRZUYQS-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325307374 913332786 /nfs/dbraw/zinc/33/27/86/913332786.db2.gz DEPQURAVEKVUCC-UONOGXRCSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482398592 893955365 /nfs/dbraw/zinc/95/53/65/893955365.db2.gz PEXNADDMEOQWGY-ZIAGYGMSSA-N 2 0 265.401 0.692 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482428828 893975019 /nfs/dbraw/zinc/97/50/19/893975019.db2.gz MBZIDRPTYCBUHS-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482892092 894674330 /nfs/dbraw/zinc/67/43/30/894674330.db2.gz WDKJHJJRJWLTTC-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483588623 895669149 /nfs/dbraw/zinc/66/91/49/895669149.db2.gz WLIRJWGTGANSNW-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001483588625 895669534 /nfs/dbraw/zinc/66/95/34/895669534.db2.gz WLIRJWGTGANSNW-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001483780040 896051417 /nfs/dbraw/zinc/05/14/17/896051417.db2.gz YKHOWZYPOYYAEQ-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCC1 ZINC001484639037 896519727 /nfs/dbraw/zinc/51/97/27/896519727.db2.gz QKYHFLXPQUFLKV-ZDUSSCGKSA-N 2 0 281.375 0.682 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001484698608 896545005 /nfs/dbraw/zinc/54/50/05/896545005.db2.gz BBHDFIQQRVNOFE-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484852563 896630483 /nfs/dbraw/zinc/63/04/83/896630483.db2.gz AMBHRYKGHMRIER-OAHLLOKOSA-N 2 0 281.400 0.211 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032410971 897491316 /nfs/dbraw/zinc/49/13/16/897491316.db2.gz CJSSQDKTWVYLNE-CBBWQLFWSA-N 2 0 275.396 0.635 20 30 CCEDRP CC#CC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001272816667 897909747 /nfs/dbraw/zinc/90/97/47/897909747.db2.gz CFJQJMXDMSMVBA-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001326828077 914213098 /nfs/dbraw/zinc/21/30/98/914213098.db2.gz HWUXPRBZVUYUIK-IJLUTSLNSA-N 2 0 252.362 0.736 20 30 CCEDRP C=CCN1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001108031036 898246715 /nfs/dbraw/zinc/24/67/15/898246715.db2.gz WRFWKDLGXJBXCQ-GDBMZVCRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001078229419 898303757 /nfs/dbraw/zinc/30/37/57/898303757.db2.gz GZZLWNXNKWBPJV-RBSFLKMASA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485956612 898518115 /nfs/dbraw/zinc/51/81/15/898518115.db2.gz YQNZXJOSPKELKL-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001485960553 898558001 /nfs/dbraw/zinc/55/80/01/898558001.db2.gz IIUFVNDONJJXEP-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486086687 898648032 /nfs/dbraw/zinc/64/80/32/898648032.db2.gz YRWXJDJSZSRVPZ-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001410115457 899233120 /nfs/dbraw/zinc/23/31/20/899233120.db2.gz GNDNVOURWLGPRX-XYYAHUGASA-N 2 0 285.819 0.985 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001327276949 914459086 /nfs/dbraw/zinc/45/90/86/914459086.db2.gz JXXUMJIIMVVCFT-CQSZACIVSA-N 2 0 265.401 0.742 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490728027 900704601 /nfs/dbraw/zinc/70/46/01/900704601.db2.gz ILGYNHAEBZHVOD-CQSZACIVSA-N 2 0 275.396 0.590 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491178783 903423068 /nfs/dbraw/zinc/42/30/68/903423068.db2.gz GOMPBWSAFITWLD-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001149239589 903755649 /nfs/dbraw/zinc/75/56/49/903755649.db2.gz MUYYDHDDMFWKKO-AWEZNQCLSA-N 2 0 251.374 0.754 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203319321 903776629 /nfs/dbraw/zinc/77/66/29/903776629.db2.gz ZUOHAMDPGFUQJL-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309881588 903868142 /nfs/dbraw/zinc/86/81/42/903868142.db2.gz JSMXOFOBYPJSPA-MRXNPFEDSA-N 2 0 285.391 0.848 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCOCC[N@@H+](C)CC)CC1 ZINC001331173729 903957533 /nfs/dbraw/zinc/95/75/33/903957533.db2.gz OHYCNLJDEGMUPH-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001280628707 904130679 /nfs/dbraw/zinc/13/06/79/904130679.db2.gz LDJOHJZGSAEMRH-KGLIPLIRSA-N 2 0 283.416 0.720 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001282412972 904471424 /nfs/dbraw/zinc/47/14/24/904471424.db2.gz OTHAOCHKUVQDNX-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282493175 904491701 /nfs/dbraw/zinc/49/17/01/904491701.db2.gz BCRNAIMGMZCZAK-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282887365 904568627 /nfs/dbraw/zinc/56/86/27/904568627.db2.gz FNAILVLWIPKDRT-JONQDZQNSA-N 2 0 291.439 0.890 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001283816372 905032738 /nfs/dbraw/zinc/03/27/38/905032738.db2.gz PILSCUOTCIUMQR-CQSZACIVSA-N 2 0 283.416 0.361 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001284425364 905288238 /nfs/dbraw/zinc/28/82/38/905288238.db2.gz NXFCQJGAMGEERO-KBPBESRZSA-N 2 0 285.432 0.558 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001284479715 905310719 /nfs/dbraw/zinc/31/07/19/905310719.db2.gz ZMHUYRAFPUNFMU-CABCVRRESA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001284520763 905351457 /nfs/dbraw/zinc/35/14/57/905351457.db2.gz XXIIOKAORVTVGQ-CQSZACIVSA-N 2 0 283.416 0.101 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001333370323 905995871 /nfs/dbraw/zinc/99/58/71/905995871.db2.gz HTRNHTUKHDFNEI-GUBZILKMSA-N 2 0 292.305 0.603 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001491602274 907438510 /nfs/dbraw/zinc/43/85/10/907438510.db2.gz OJUFOISNZCJHPT-KBPBESRZSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492044948 907679982 /nfs/dbraw/zinc/67/99/82/907679982.db2.gz YFBULSNQIFDUGR-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001303792746 908115352 /nfs/dbraw/zinc/11/53/52/908115352.db2.gz PLNABRZXJGKPRT-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001312643135 908611534 /nfs/dbraw/zinc/61/15/34/908611534.db2.gz DOOYXJQQKCFMON-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001328280232 908658973 /nfs/dbraw/zinc/65/89/73/908658973.db2.gz SABNIHKZSHCXMP-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316948049 908843126 /nfs/dbraw/zinc/84/31/26/908843126.db2.gz PKHJFVKIFVGTPX-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317136064 909004185 /nfs/dbraw/zinc/00/41/85/909004185.db2.gz XLXJEWOFZGIRMB-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317392937 909169862 /nfs/dbraw/zinc/16/98/62/909169862.db2.gz KLXRNMYMZVHKFJ-YNEHKIRRSA-N 2 0 253.390 0.997 20 30 CCEDRP C=CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317405940 909181884 /nfs/dbraw/zinc/18/18/84/909181884.db2.gz NHWJBETWFBIZRY-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317414140 909184727 /nfs/dbraw/zinc/18/47/27/909184727.db2.gz MDUPSGKWEMJQCI-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317445545 909213693 /nfs/dbraw/zinc/21/36/93/909213693.db2.gz AKFNEAFDCNASSC-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001317533425 909299183 /nfs/dbraw/zinc/29/91/83/909299183.db2.gz VFIQTAAKYCQTMV-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001317654299 909448986 /nfs/dbraw/zinc/44/89/86/909448986.db2.gz MPVRJMIASQFEEV-HNNXBMFYSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCF)CC1 ZINC001319132411 909997085 /nfs/dbraw/zinc/99/70/85/909997085.db2.gz LECONOXPJKCINJ-OAHLLOKOSA-N 2 0 295.402 0.882 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320215195 910529947 /nfs/dbraw/zinc/52/99/47/910529947.db2.gz DJODOXCPLPHWDQ-AWEZNQCLSA-N 2 0 297.443 0.894 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320274623 910570321 /nfs/dbraw/zinc/57/03/21/910570321.db2.gz QMESKYMZWBDHGQ-KBPBESRZSA-N 2 0 283.416 0.361 20 30 CCEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001321336948 911240205 /nfs/dbraw/zinc/24/02/05/911240205.db2.gz NYMDWPWLTHAARG-ARJAWSKDSA-N 2 0 263.385 0.920 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001323023558 912078374 /nfs/dbraw/zinc/07/83/74/912078374.db2.gz WWGCOYXFPQFJIO-OAHLLOKOSA-N 2 0 289.423 0.980 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC001328846781 915472277 /nfs/dbraw/zinc/47/22/77/915472277.db2.gz UEINGCRCDPKLEV-GFCCVEGCSA-N 2 0 252.362 0.513 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001329148888 915709957 /nfs/dbraw/zinc/70/99/57/915709957.db2.gz GNTOUNVECDICOR-OLZOCXBDSA-N 2 0 283.416 0.766 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001329411553 915890520 /nfs/dbraw/zinc/89/05/20/915890520.db2.gz PLPYZQROVBSUPX-QWHCGFSZSA-N 2 0 269.389 0.330 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)CCc1cncn1C ZINC001329610251 916058240 /nfs/dbraw/zinc/05/82/40/916058240.db2.gz SDBYKWQVCJAWKN-ZDUSSCGKSA-N 2 0 276.384 0.813 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330649265 916765346 /nfs/dbraw/zinc/76/53/46/916765346.db2.gz WVYVOXRVJZZSCL-RNJOBUHISA-N 2 0 264.373 0.654 20 30 CCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331330833 917269595 /nfs/dbraw/zinc/26/95/95/917269595.db2.gz SQEYIAAKYIOOPI-WFWNQZHGSA-N 2 0 264.373 0.368 20 30 CCEDRP [NH3+]CCCN(CC(F)(F)F)C(=O)C#CC1CC[NH2+]CC1 ZINC001331345830 917277386 /nfs/dbraw/zinc/27/73/86/917277386.db2.gz NQMQCXSUPFXVTE-UHFFFAOYSA-N 2 0 291.317 0.729 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[N@@H+](C)CC ZINC001331602520 917442453 /nfs/dbraw/zinc/44/24/53/917442453.db2.gz YUWLOIMGYJMMBA-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332605753 918305819 /nfs/dbraw/zinc/30/58/19/918305819.db2.gz LIVTUGDFRCDSSB-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001332995799 918587956 /nfs/dbraw/zinc/58/79/56/918587956.db2.gz XZGXDTLFWBLCJJ-TUAOUCFPSA-N 2 0 250.346 0.360 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC001340684545 922165625 /nfs/dbraw/zinc/16/56/25/922165625.db2.gz KYSIMOUGFQCDSQ-MCIONIFRSA-N 2 0 279.384 0.097 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC001341416005 922474156 /nfs/dbraw/zinc/47/41/56/922474156.db2.gz VEWQUXGNMMQTBG-OAHLLOKOSA-N 2 0 292.427 0.868 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342129470 922821104 /nfs/dbraw/zinc/82/11/04/922821104.db2.gz MTLAOQQCXWXDCZ-KXNHARMFSA-N 2 0 250.346 0.074 20 30 CCEDRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C#CC1CC[NH2+]CC1 ZINC001342555946 922999592 /nfs/dbraw/zinc/99/95/92/922999592.db2.gz QEJHHRGKRWDRJZ-AVGNSLFASA-N 2 0 263.385 0.587 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001345781188 923977933 /nfs/dbraw/zinc/97/79/33/923977933.db2.gz PUTGNERMBWFKBB-KGLIPLIRSA-N 2 0 294.399 0.188 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001346027968 924046522 /nfs/dbraw/zinc/04/65/22/924046522.db2.gz DBKMMXCDDDIDMR-GFCCVEGCSA-N 2 0 264.373 0.610 20 30 CCEDRP C#CC[NH+]1CCC(NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001353323818 925797776 /nfs/dbraw/zinc/79/77/76/925797776.db2.gz OGBYOQDYYLTHFH-HNNXBMFYSA-N 2 0 265.401 0.129 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC001448874531 931014057 /nfs/dbraw/zinc/01/40/57/931014057.db2.gz RIXQEVUIYWFWLD-ZFWWWQNUSA-N 2 0 283.416 0.408 20 30 CCEDRP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600728599 362046712 /nfs/dbraw/zinc/04/67/12/362046712.db2.gz VLELTCOSIAIZDZ-KGLIPLIRSA-N 2 0 283.416 0.988 20 30 CCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])CCCCC#N)C2 ZINC000601969934 362443478 /nfs/dbraw/zinc/44/34/78/362443478.db2.gz MTHLMEKYCNRSBH-AEGPPILISA-N 2 0 278.400 0.856 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)C(C)C ZINC000188082776 351573006 /nfs/dbraw/zinc/57/30/06/351573006.db2.gz GTAXIOKIRGSRHQ-LSDHHAIUSA-N 2 0 295.427 0.790 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000591893434 359681250 /nfs/dbraw/zinc/68/12/50/359681250.db2.gz XPUJETYXJQYWKV-IHRRRGAJSA-N 2 0 278.400 0.998 20 30 CCEDRP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426685 360301124 /nfs/dbraw/zinc/30/11/24/360301124.db2.gz RBUKKROBVKFWLO-VXGBXAGGSA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH3+] ZINC000594427884 360302392 /nfs/dbraw/zinc/30/23/92/360302392.db2.gz WLAVUGXSKRERCZ-NWDGAFQWSA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594437438 360305499 /nfs/dbraw/zinc/30/54/99/360305499.db2.gz JSXGEXWYGIZPGO-UONOGXRCSA-N 2 0 278.400 0.998 20 30 CCEDRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437921 360307384 /nfs/dbraw/zinc/30/73/84/360307384.db2.gz LMKNDXZCKXEFIK-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594439702 360308137 /nfs/dbraw/zinc/30/81/37/360308137.db2.gz YTEOOUVDPZHYKI-GFCCVEGCSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000594439887 360308450 /nfs/dbraw/zinc/30/84/50/360308450.db2.gz VTPSAZWUUIMLNU-DGAVXFQQSA-N 2 0 278.400 0.983 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H]1C[NH3+] ZINC000594450287 360314984 /nfs/dbraw/zinc/31/49/84/360314984.db2.gz WSPLOVYWXQGVQQ-AGIUHOORSA-N 2 0 266.389 0.841 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000594469667 360320655 /nfs/dbraw/zinc/32/06/55/360320655.db2.gz QJXCWPAWNWZNIP-CYBMUJFWSA-N 2 0 264.373 0.776 20 30 CCEDRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595938346 360715598 /nfs/dbraw/zinc/71/55/98/360715598.db2.gz OOOMWOPPEITYOO-VXGBXAGGSA-N 2 0 266.389 0.997 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C#N ZINC000611637612 363753579 /nfs/dbraw/zinc/75/35/79/363753579.db2.gz DTOHKMZWPOGIOT-UHFFFAOYSA-N 2 0 283.420 0.671 20 30 CCEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000598730628 361500843 /nfs/dbraw/zinc/50/08/43/361500843.db2.gz XUDRYBGHGASZNI-STQMWFEESA-N 2 0 269.389 0.333 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CCC[NH2+]1 ZINC000638577021 375156142 /nfs/dbraw/zinc/15/61/42/375156142.db2.gz VMIJCXYRKSLJMM-OUCADQQQSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CCOCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987227 375500610 /nfs/dbraw/zinc/50/06/10/375500610.db2.gz CTFCLLGRSYCLJG-UHFFFAOYSA-N 2 0 276.340 0.632 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237929941 389196931 /nfs/dbraw/zinc/19/69/31/389196931.db2.gz LBQNEEQEXYXGSS-NEPJUHHUSA-N 2 0 251.374 0.880 20 30 CCEDRP CCNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264101909 389306646 /nfs/dbraw/zinc/30/66/46/389306646.db2.gz ONHLSBGHHPTRGA-CQSZACIVSA-N 2 0 276.384 0.330 20 30 CCEDRP CNC(NCCC[NH+]1CCN(c2ccccc2)CC1)=[NH+]C ZINC000264136137 389308211 /nfs/dbraw/zinc/30/82/11/389308211.db2.gz ZRFWQUUIOSLFJU-UHFFFAOYSA-N 2 0 289.427 0.994 20 30 CCEDRP CNC(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)=[NH+]C ZINC000267449623 389371202 /nfs/dbraw/zinc/37/12/02/389371202.db2.gz QYDRLFZVDSRTPA-UHFFFAOYSA-N 2 0 290.411 0.938 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccn1C ZINC000267459024 389371320 /nfs/dbraw/zinc/37/13/20/389371320.db2.gz UOGPUJNEQSJYES-ZDUSSCGKSA-N 2 0 263.389 0.914 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000491371607 390112531 /nfs/dbraw/zinc/11/25/31/390112531.db2.gz FUKQZUNKBPJZQZ-UONOGXRCSA-N 2 0 278.400 0.287 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000644166442 390155214 /nfs/dbraw/zinc/15/52/14/390155214.db2.gz DVIBSYOROWOBBH-QNSTZXKLSA-N 2 0 254.374 0.919 20 30 CCEDRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000563705678 390493515 /nfs/dbraw/zinc/49/35/15/390493515.db2.gz FRGOJQMFMPEDCK-LBPRGKRZSA-N 2 0 252.362 0.560 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895347 390711452 /nfs/dbraw/zinc/71/14/52/390711452.db2.gz DKKKXUHCIHMAIT-STQMWFEESA-N 2 0 281.400 0.364 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570680783 390719118 /nfs/dbraw/zinc/71/91/18/390719118.db2.gz HMMJRMFPGKLWKW-KGLIPLIRSA-N 2 0 298.431 0.465 20 30 CCEDRP C=C[C@H](O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000646857260 390731342 /nfs/dbraw/zinc/73/13/42/390731342.db2.gz BBDZZYBBPBDCCV-ZDUSSCGKSA-N 2 0 271.405 0.265 20 30 CCEDRP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)N1CC[NH+](C)CC1 ZINC000190959679 130164791 /nfs/dbraw/zinc/16/47/91/130164791.db2.gz LLITXISVPYBIPE-CYBMUJFWSA-N 2 0 275.400 0.622 20 30 CCEDRP C=C[C@H](CO)[NH2+]Cc1cccc(C[NH2+][C@H](C=C)CO)c1 ZINC000662168711 414695335 /nfs/dbraw/zinc/69/53/35/414695335.db2.gz RNAAZPAJCLMXSO-HZPDHXFCSA-N 2 0 276.380 0.960 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC[NH2+]1 ZINC000662781095 414788780 /nfs/dbraw/zinc/78/87/80/414788780.db2.gz WIBYAQKVTOZTPO-GVXVVHGQSA-N 2 0 255.337 0.501 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662774366 414781528 /nfs/dbraw/zinc/78/15/28/414781528.db2.gz NXFJCMYEOGMFGL-OUCADQQQSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]1 ZINC000662784163 414791814 /nfs/dbraw/zinc/79/18/14/414791814.db2.gz RCCMKLRVIOIYBJ-GXTWGEPZSA-N 2 0 267.373 0.179 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC000332715381 260020743 /nfs/dbraw/zinc/02/07/43/260020743.db2.gz QAIAWWOHPOQVPT-RDBSUJKOSA-N 2 0 278.400 0.950 20 30 CCEDRP C[C@@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@@](C)(O)C2)C1 ZINC000341904083 263365385 /nfs/dbraw/zinc/36/53/85/263365385.db2.gz DCYQEISKFVUSRB-HZPDHXFCSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342113905 263389199 /nfs/dbraw/zinc/38/91/99/263389199.db2.gz WCTKMHDKEIURBT-CYDGBPFRSA-N 2 0 294.399 0.446 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000417544544 264437338 /nfs/dbraw/zinc/43/73/38/264437338.db2.gz VYJZLFNUYKDZPA-CYBMUJFWSA-N 2 0 266.389 0.688 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368615406 267191234 /nfs/dbraw/zinc/19/12/34/267191234.db2.gz QIFQGWLYDVRNTB-UPJWGTAASA-N 2 0 251.374 0.751 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034918 329415204 /nfs/dbraw/zinc/41/52/04/329415204.db2.gz PLLSOHBVGUETGL-LBPRGKRZSA-N 2 0 294.399 0.462 20 30 CCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739889 329688640 /nfs/dbraw/zinc/68/86/40/329688640.db2.gz WQILQYAMTAVCLN-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000262496492 330017664 /nfs/dbraw/zinc/01/76/64/330017664.db2.gz YHSAJPQOPUPRPC-UHFFFAOYSA-N 2 0 299.488 0.376 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(C)CC1 ZINC000262787592 330031535 /nfs/dbraw/zinc/03/15/35/330031535.db2.gz NBTORXOOIHFOFD-OAHLLOKOSA-N 2 0 293.459 0.684 20 30 CCEDRP C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1CCCC1 ZINC000424157606 330305030 /nfs/dbraw/zinc/30/50/30/330305030.db2.gz QAXDVNBPSAPLAC-CYBMUJFWSA-N 2 0 266.389 0.998 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442633190 330777684 /nfs/dbraw/zinc/77/76/84/330777684.db2.gz CCICDPGAHWSMNY-KBPBESRZSA-N 2 0 250.390 0.906 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442774483 330781947 /nfs/dbraw/zinc/78/19/47/330781947.db2.gz AKMDRBIYTSAUTD-HZSPNIEDSA-N 2 0 250.390 0.904 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491338064 332192332 /nfs/dbraw/zinc/19/23/32/332192332.db2.gz FYUOILWJKJQLHR-UKRRQHHQSA-N 2 0 280.416 0.568 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])N1CCSCC1 ZINC000491380640 332200780 /nfs/dbraw/zinc/20/07/80/332200780.db2.gz AGKOHSWFNOGUGL-UHFFFAOYSA-N 2 0 254.403 0.515 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000491473610 332217943 /nfs/dbraw/zinc/21/79/43/332217943.db2.gz FZUMHWCOQOHTED-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000491615181 332242779 /nfs/dbraw/zinc/24/27/79/332242779.db2.gz BRQICBQHYYWKBF-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000491672162 332278834 /nfs/dbraw/zinc/27/88/34/332278834.db2.gz SVRTXTDPXXFWDO-MRXNPFEDSA-N 2 0 292.427 0.727 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+](CC)CC ZINC000491673339 332279546 /nfs/dbraw/zinc/27/95/46/332279546.db2.gz PZTDWBXABLRGNU-CQSZACIVSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[NH+](C)CCCNC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000491683243 332285540 /nfs/dbraw/zinc/28/55/40/332285540.db2.gz XHDZQFAMYOPDHS-CQSZACIVSA-N 2 0 296.484 0.890 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000491701136 332295615 /nfs/dbraw/zinc/29/56/15/332295615.db2.gz KTZYQWYPWINSKE-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000491728392 332311030 /nfs/dbraw/zinc/31/10/30/332311030.db2.gz MHHFHHPGLLMFSH-LSDHHAIUSA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000491780647 332344938 /nfs/dbraw/zinc/34/49/38/332344938.db2.gz FDVVWYRKFPFAAP-KGLIPLIRSA-N 2 0 280.416 0.758 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310842079 333061846 /nfs/dbraw/zinc/06/18/46/333061846.db2.gz KVADYVKDXBRKLV-RWMBFGLXSA-N 2 0 251.374 0.609 20 30 CCEDRP C=CCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000132914846 334010054 /nfs/dbraw/zinc/01/00/54/334010054.db2.gz BEQDIUZKBKFBON-UHFFFAOYSA-N 2 0 251.374 0.803 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC(C[NH2+]C)CC2)C1=O ZINC000566244734 334638159 /nfs/dbraw/zinc/63/81/59/334638159.db2.gz HCPOGAHIRRJBIE-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000576694670 335235573 /nfs/dbraw/zinc/23/55/73/335235573.db2.gz KYJDTBCAKQEQRC-CYBMUJFWSA-N 2 0 251.374 0.753 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCC1 ZINC000576753156 335243526 /nfs/dbraw/zinc/24/35/26/335243526.db2.gz PLDCXYWEUWVDPO-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP [NH2+]=C(NCCCCCCNC(=[NH2+])NC1CC1)NC1CC1 ZINC000305795094 649874817 /nfs/dbraw/zinc/87/48/17/649874817.db2.gz XTYPRLLFRJEGFL-UHFFFAOYSA-N 2 0 280.420 0.680 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000791301838 581213297 /nfs/dbraw/zinc/21/32/97/581213297.db2.gz SEPPNSWFWHZMDN-AWEZNQCLSA-N 2 0 283.416 0.577 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000764523190 582054744 /nfs/dbraw/zinc/05/47/44/582054744.db2.gz OIVRCJUDLWCFAS-UHFFFAOYSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877661751 613066353 /nfs/dbraw/zinc/06/63/53/613066353.db2.gz GIUWZIJPYRYLSQ-CQSZACIVSA-N 2 0 268.401 0.850 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000854094511 613073235 /nfs/dbraw/zinc/07/32/35/613073235.db2.gz UCMMDXJOVGKQQT-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876863475 613388180 /nfs/dbraw/zinc/38/81/80/613388180.db2.gz GILHXWISURZEQO-RQJHMYQMSA-N 2 0 255.696 0.555 20 30 CCEDRP CC(C)(CC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884347244 614083510 /nfs/dbraw/zinc/08/35/10/614083510.db2.gz NLVOPYBBWBZQRE-CVZZAPKMSA-N 2 0 264.373 0.369 20 30 CCEDRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000884250563 614225243 /nfs/dbraw/zinc/22/52/43/614225243.db2.gz HXIRJVHTKZVJQG-AXFHLTTASA-N 2 0 252.362 0.224 20 30 CCEDRP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886573241 613066222 /nfs/dbraw/zinc/06/62/22/613066222.db2.gz BJTUFZPISRHLFW-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)CC1 ZINC000816768122 613129092 /nfs/dbraw/zinc/12/90/92/613129092.db2.gz OBUIZRWDKBDMST-DZGCQCFKSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000916851058 613134411 /nfs/dbraw/zinc/13/44/11/613134411.db2.gz LLDHLYHTICJTPQ-ZDUSSCGKSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000928648337 613136485 /nfs/dbraw/zinc/13/64/85/613136485.db2.gz LBNBESQRQUYIDU-CABCVRRESA-N 2 0 291.395 0.063 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981813200 613142582 /nfs/dbraw/zinc/14/25/82/613142582.db2.gz HGMUFCYDFPKUSF-HNNXBMFYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878843942 613158961 /nfs/dbraw/zinc/15/89/61/613158961.db2.gz NGUGJMWSWVBDRK-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C)C1 ZINC000969870597 613201942 /nfs/dbraw/zinc/20/19/42/613201942.db2.gz ZFOJSFINTRQTEC-HIFRSBDPSA-N 2 0 275.396 0.707 20 30 CCEDRP CNC(NCc1ccc(N2CC[NH+](C)CC2)cc1)=[NH+]C ZINC000887323613 613218940 /nfs/dbraw/zinc/21/89/40/613218940.db2.gz BLXZLTXPADQYNR-UHFFFAOYSA-N 2 0 275.400 0.733 20 30 CCEDRP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941218443 613229608 /nfs/dbraw/zinc/22/96/08/613229608.db2.gz XRPGDJWSWVEUHO-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598134 613258078 /nfs/dbraw/zinc/25/80/78/613258078.db2.gz RVIPKIWBGLGZNH-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473645 613280270 /nfs/dbraw/zinc/28/02/70/613280270.db2.gz YECFFYRBZYFQJH-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000815060929 613324957 /nfs/dbraw/zinc/32/49/57/613324957.db2.gz GNOLKTUSCXWQBV-UHFFFAOYSA-N 2 0 272.352 0.343 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913676368 613363561 /nfs/dbraw/zinc/36/35/61/613363561.db2.gz USADIOOPAYLSFG-UHFFFAOYSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000907515638 613364051 /nfs/dbraw/zinc/36/40/51/613364051.db2.gz NRBJAKWEJYUGGI-UONOGXRCSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000911543758 613364365 /nfs/dbraw/zinc/36/43/65/613364365.db2.gz DLDYNHQDIBFVTE-CYBMUJFWSA-N 2 0 296.415 0.073 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000900383083 613364654 /nfs/dbraw/zinc/36/46/54/613364654.db2.gz NRPUHJOEPFIAEY-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877272938 613389244 /nfs/dbraw/zinc/38/92/44/613389244.db2.gz LVWURACJWKZPGP-AXFHLTTASA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCOC)CC1 ZINC000876736142 613389795 /nfs/dbraw/zinc/38/97/95/613389795.db2.gz RWSUQAHUZHATRG-LBPRGKRZSA-N 2 0 289.807 0.683 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000911629739 613470151 /nfs/dbraw/zinc/47/01/51/613470151.db2.gz IXNDGWMIWABDGK-CYBMUJFWSA-N 2 0 268.405 0.082 20 30 CCEDRP C=C[C@H](C)ONC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875698813 613486099 /nfs/dbraw/zinc/48/60/99/613486099.db2.gz AVFVJSVQNFDWFB-BFHYXJOUSA-N 2 0 298.431 0.873 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970746976 613535678 /nfs/dbraw/zinc/53/56/78/613535678.db2.gz QPCDEDMBAGLXPQ-ZDUSSCGKSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979077466 613559944 /nfs/dbraw/zinc/55/99/44/613559944.db2.gz CYIKQKWCFTVYAL-TUVASFSCSA-N 2 0 277.412 0.808 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923374802 613591020 /nfs/dbraw/zinc/59/10/20/613591020.db2.gz CNVNPTGZCLPBIO-KBPBESRZSA-N 2 0 279.388 0.701 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC000961760960 613634459 /nfs/dbraw/zinc/63/44/59/613634459.db2.gz AXLPXGGHFIYHGA-NYTXWWLZSA-N 2 0 275.396 0.398 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961787123 613837670 /nfs/dbraw/zinc/83/76/70/613837670.db2.gz JPFFXENQTMYWML-RMRHIDDWSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923496344 613851775 /nfs/dbraw/zinc/85/17/75/613851775.db2.gz BLARZYGQHOUZBS-SRVKXCTJSA-N 2 0 282.388 0.303 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000970727871 613864995 /nfs/dbraw/zinc/86/49/95/613864995.db2.gz POPVCIATXJFHLY-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000968996292 613865032 /nfs/dbraw/zinc/86/50/32/613865032.db2.gz DSADOWJPTRNHQK-OLZOCXBDSA-N 2 0 253.390 0.949 20 30 CCEDRP CCCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884207082 614948877 /nfs/dbraw/zinc/94/88/77/614948877.db2.gz MAHIOTVMNGLDOR-NPCAHTBFSA-N 2 0 292.427 0.974 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(NC2CC2)=[NH+]C)CC1 ZINC000103338427 615159787 /nfs/dbraw/zinc/15/97/87/615159787.db2.gz QRNCXEFCJJNZDJ-CYBMUJFWSA-N 2 0 281.448 0.587 20 30 CCEDRP C[NH+](C)C1(CNC(=O)C#CC2CC[NH2+]CC2)CCOCC1 ZINC000852867714 615846679 /nfs/dbraw/zinc/84/66/79/615846679.db2.gz AAZFGYGGQVJZQF-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC000799177834 616177362 /nfs/dbraw/zinc/17/73/62/616177362.db2.gz GJMPTZNJURJMIO-UHFFFAOYSA-N 2 0 264.373 0.434 20 30 CCEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)N1CCOCC1 ZINC000104155528 622589422 /nfs/dbraw/zinc/58/94/22/622589422.db2.gz JXHXOFWHCAKHES-UHFFFAOYSA-N 2 0 268.405 0.899 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023749905 623127404 /nfs/dbraw/zinc/12/74/04/623127404.db2.gz CMZPFTDZKDZDAR-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024803408 623448352 /nfs/dbraw/zinc/44/83/52/623448352.db2.gz HUDCQFUJGVIBNZ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907863 623813067 /nfs/dbraw/zinc/81/30/67/623813067.db2.gz BAXIICQCOVCMQT-ZDUSSCGKSA-N 3 0 267.421 0.471 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001019772660 623906525 /nfs/dbraw/zinc/90/65/25/623906525.db2.gz NVRSWODYUGOOPJ-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@H]1C[C@@H](CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427916 634745608 /nfs/dbraw/zinc/74/56/08/634745608.db2.gz AMZKNIVRGCLJHU-FQUUOJAGSA-N 2 0 297.424 0.245 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650982 630833555 /nfs/dbraw/zinc/83/35/55/630833555.db2.gz HJNUROCCKJJUIB-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)C[C@@H]1CCOC1 ZINC000261682432 631438118 /nfs/dbraw/zinc/43/81/18/631438118.db2.gz QQRJGIFLFHTGSI-KBPBESRZSA-N 2 0 282.432 0.872 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCC1 ZINC000261733245 631556706 /nfs/dbraw/zinc/55/67/06/631556706.db2.gz HNYDHQOAWSDABF-GFCCVEGCSA-N 2 0 268.405 0.944 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350484 650075188 /nfs/dbraw/zinc/07/51/88/650075188.db2.gz QPXAVUXZLZWUCJ-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC000987282934 632855447 /nfs/dbraw/zinc/85/54/47/632855447.db2.gz YWWYOVBRZXQSKR-DZGCQCFKSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359534 632861270 /nfs/dbraw/zinc/86/12/70/632861270.db2.gz PQKRCLAJWMOCJK-OLZOCXBDSA-N 2 0 261.369 0.294 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681762 633343397 /nfs/dbraw/zinc/34/33/97/633343397.db2.gz FVPXNEWIDNJPST-QWHCGFSZSA-N 2 0 263.385 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000989828661 633364473 /nfs/dbraw/zinc/36/44/73/633364473.db2.gz HCJBXKLECTXXBF-HOCLYGCPSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211184 650140241 /nfs/dbraw/zinc/14/02/41/650140241.db2.gz AXHFPDYNCPOBCT-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000170908594 637103544 /nfs/dbraw/zinc/10/35/44/637103544.db2.gz MEXHFPMZQXROSG-GFCCVEGCSA-N 2 0 256.394 0.802 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992415490 637398504 /nfs/dbraw/zinc/39/85/04/637398504.db2.gz ARNLHWBCFOVULM-HOCLYGCPSA-N 2 0 286.379 0.709 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000997124383 638854522 /nfs/dbraw/zinc/85/45/22/638854522.db2.gz BJVZSBISFLFSOI-UHFFFAOYSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486071 650456229 /nfs/dbraw/zinc/45/62/29/650456229.db2.gz ZNEPVVYSGGNPBM-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999495775 638984773 /nfs/dbraw/zinc/98/47/73/638984773.db2.gz LFXQDZGSNJDACY-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000705026 639159731 /nfs/dbraw/zinc/15/97/31/639159731.db2.gz AESIDVLFHZHPKU-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001145808 639245998 /nfs/dbraw/zinc/24/59/98/639245998.db2.gz VSFGIKXNUSGKRL-ZFWWWQNUSA-N 2 0 275.396 0.566 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001145801 639246405 /nfs/dbraw/zinc/24/64/05/639246405.db2.gz VSFGIKXNUSGKRL-UKRRQHHQSA-N 2 0 275.396 0.566 20 30 CCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001001461333 639300377 /nfs/dbraw/zinc/30/03/77/639300377.db2.gz JDFPYGMPIICYKZ-OAHLLOKOSA-N 2 0 293.411 0.641 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001001447915 639305856 /nfs/dbraw/zinc/30/58/56/639305856.db2.gz DVUPDEXQDBDBJX-OAHLLOKOSA-N 2 0 275.396 0.710 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399005 639907384 /nfs/dbraw/zinc/90/73/84/639907384.db2.gz POXVLDLKRMCAEH-MRXNPFEDSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334180 650555665 /nfs/dbraw/zinc/55/56/65/650555665.db2.gz GYWDFQXIRFLVFL-IQXANGCESA-N 2 0 291.395 0.226 20 30 CCEDRP C[C@H](C#N)OCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000801931824 640676930 /nfs/dbraw/zinc/67/69/30/640676930.db2.gz PQERSZHLLPNFSE-CYBMUJFWSA-N 2 0 296.415 0.305 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818542945 641334220 /nfs/dbraw/zinc/33/42/20/641334220.db2.gz YSQYONGMJGXDFU-ZDUSSCGKSA-N 2 0 276.340 0.984 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015997410 650671791 /nfs/dbraw/zinc/67/17/91/650671791.db2.gz BXFSJSFOFSDOQG-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000834484103 642574937 /nfs/dbraw/zinc/57/49/37/642574937.db2.gz DTKRKBVFKWOXCQ-JHJVBQTASA-N 2 0 258.325 0.304 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000834493195 642583392 /nfs/dbraw/zinc/58/33/92/642583392.db2.gz BPFLTSKDRWEUMP-UPJWGTAASA-N 2 0 264.373 0.512 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016930014 650772150 /nfs/dbraw/zinc/77/21/50/650772150.db2.gz HXAYFVWFXMIYTH-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C[C@]([NH3+])(C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000843461276 643064411 /nfs/dbraw/zinc/06/44/11/643064411.db2.gz TZGJTYRXMYCVLG-SCDSUCTJSA-N 2 0 258.325 0.088 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000848413003 643634674 /nfs/dbraw/zinc/63/46/74/643634674.db2.gz HUFYGYAHDQSFID-IHRRRGAJSA-N 2 0 294.399 0.377 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018617448 650885029 /nfs/dbraw/zinc/88/50/29/650885029.db2.gz VNGORXYUEVZCOC-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCCCC1 ZINC000852857476 644026600 /nfs/dbraw/zinc/02/66/00/644026600.db2.gz UKZPSDNFYLXFDN-UHFFFAOYSA-N 2 0 263.385 0.592 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000852879283 644038283 /nfs/dbraw/zinc/03/82/83/644038283.db2.gz CTCFKGDYOIPYKD-INIZCTEOSA-N 2 0 275.396 0.592 20 30 CCEDRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852880198 644039440 /nfs/dbraw/zinc/03/94/40/644039440.db2.gz KASSKPSPEIMQKJ-XUJVJEKNSA-N 2 0 263.385 0.492 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC000868013877 645704999 /nfs/dbraw/zinc/70/49/99/645704999.db2.gz RVPIFMCUXZWEFY-WCQYABFASA-N 2 0 266.389 0.902 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001020286066 651056265 /nfs/dbraw/zinc/05/62/65/651056265.db2.gz RLRHAJPYECRLQI-HDJSIYSDSA-N 2 0 275.396 0.732 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876801821 646669151 /nfs/dbraw/zinc/66/91/51/646669151.db2.gz JILDNGCRHXSZEZ-ARFHVFGLSA-N 2 0 298.390 0.736 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246771 646767245 /nfs/dbraw/zinc/76/72/45/646767245.db2.gz ORWHEDBWZGIQET-QDMKHBRRSA-N 2 0 275.396 0.636 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877275465 646776547 /nfs/dbraw/zinc/77/65/47/646776547.db2.gz SUQNBLFXTXHYBF-YNEHKIRRSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227471 647672517 /nfs/dbraw/zinc/67/25/17/647672517.db2.gz QHQXRXIJJZVXAQ-ILTLLKDXSA-N 2 0 290.411 0.584 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884254059 647685241 /nfs/dbraw/zinc/68/52/41/647685241.db2.gz CWIOTDXHYVSBIC-AXLADZDYSA-N 2 0 276.384 0.240 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[C@@H]1CCC[NH2+]1)C2 ZINC000884300402 647701452 /nfs/dbraw/zinc/70/14/52/647701452.db2.gz ZCQVTUVJUFYAKP-IQXANGCESA-N 2 0 290.411 0.774 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000104168420 648203792 /nfs/dbraw/zinc/20/37/92/648203792.db2.gz KIBVQRZQTRRROG-LBPRGKRZSA-N 2 0 256.394 0.802 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000104174527 648204843 /nfs/dbraw/zinc/20/48/43/648204843.db2.gz KHWHDMRESPOLSD-NWDGAFQWSA-N 2 0 256.394 0.658 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303771600 649824452 /nfs/dbraw/zinc/82/44/52/649824452.db2.gz CSVOIETUNRGRRO-QWHCGFSZSA-N 2 0 286.420 0.282 20 30 CCEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303990928 649828027 /nfs/dbraw/zinc/82/80/27/649828027.db2.gz ZBQAOYSKMBIRMM-AWEZNQCLSA-N 2 0 299.463 0.343 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000304746909 649838163 /nfs/dbraw/zinc/83/81/63/649838163.db2.gz GADSBEQIXVSERE-LBPRGKRZSA-N 2 0 254.378 0.508 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000304746908 649838286 /nfs/dbraw/zinc/83/82/86/649838286.db2.gz GADSBEQIXVSERE-GFCCVEGCSA-N 2 0 254.378 0.508 20 30 CCEDRP CC(C)CNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304765315 649838771 /nfs/dbraw/zinc/83/87/71/649838771.db2.gz ZBXYFUJNVHXABM-UHFFFAOYSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccnc1 ZINC000304764043 649838804 /nfs/dbraw/zinc/83/88/04/649838804.db2.gz XMBIXAQINFYUDE-ZDUSSCGKSA-N 2 0 291.399 0.849 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266400292 790638487 /nfs/dbraw/zinc/63/84/87/790638487.db2.gz GXGCKLXVKDBLON-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266428249 790686827 /nfs/dbraw/zinc/68/68/27/790686827.db2.gz NRFHCCZHSYGKKM-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236243 790729630 /nfs/dbraw/zinc/72/96/30/790729630.db2.gz INCZRVFQZLWXIF-UONOGXRCSA-N 2 0 277.412 0.693 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266482744 790774064 /nfs/dbraw/zinc/77/40/64/790774064.db2.gz HUKAHSDDRCROCM-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266616674 791039784 /nfs/dbraw/zinc/03/97/84/791039784.db2.gz HBAPSHNJUZBQMU-HDJSIYSDSA-N 2 0 263.385 0.588 20 30 CCEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266940272 791377215 /nfs/dbraw/zinc/37/72/15/791377215.db2.gz ZQFUQNJMAQADQH-TZMCWYRMSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001266950309 791385843 /nfs/dbraw/zinc/38/58/43/791385843.db2.gz TZXWMFAOBBTQDV-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267012026 791441743 /nfs/dbraw/zinc/44/17/43/791441743.db2.gz RKEZMCFBHZRKQH-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001267248532 793240888 /nfs/dbraw/zinc/24/08/88/793240888.db2.gz BUBAULNLHNMQNM-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122241708 799177076 /nfs/dbraw/zinc/17/70/76/799177076.db2.gz AOTHCTCJDQFEMN-LPEHRKFASA-N 2 0 292.305 0.746 20 30 CCEDRP [NH3+][C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C12CCC2 ZINC001122341981 799205883 /nfs/dbraw/zinc/20/58/83/799205883.db2.gz TUFFOECDUGHVLK-STQMWFEESA-N 2 0 261.369 0.376 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194652 800322832 /nfs/dbraw/zinc/32/28/32/800322832.db2.gz VAWTVTRIMSHVRJ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCOC)CC1 ZINC001152324545 800510163 /nfs/dbraw/zinc/51/01/63/800510163.db2.gz WXRGJQHQHNRONT-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOC(C)C)CC1 ZINC001152330338 800511201 /nfs/dbraw/zinc/51/12/01/800511201.db2.gz MGZXCKRTLMGCTM-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392541 800516904 /nfs/dbraw/zinc/51/69/04/800516904.db2.gz OXGCIUDSRXPICI-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001155900560 801072804 /nfs/dbraw/zinc/07/28/04/801072804.db2.gz YYKPSYXODSKYPU-OAHLLOKOSA-N 2 0 297.443 0.805 20 30 CCEDRP C=CCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239362073 806892640 /nfs/dbraw/zinc/89/26/40/806892640.db2.gz DKDGIOPALAGCGT-NSHDSACASA-N 2 0 268.430 0.511 20 30 CCEDRP COc1ccnc(NC(=[NH2+])NCCCC[NH3+])c1C#N ZINC001157095939 801299228 /nfs/dbraw/zinc/29/92/28/801299228.db2.gz AWMBWXJAOFAKKP-UHFFFAOYSA-N 2 0 262.317 0.637 20 30 CCEDRP Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c(/C=N/O)c1 ZINC001157099967 801300177 /nfs/dbraw/zinc/30/01/77/801300177.db2.gz VCVIBNZBXSYNCP-CAOOACKPSA-N 2 0 264.333 0.873 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC001157799674 801488431 /nfs/dbraw/zinc/48/84/31/801488431.db2.gz PUIZPPSTNQGGEP-UGFHNGPFSA-N 2 0 286.379 0.624 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287513 801614364 /nfs/dbraw/zinc/61/43/64/801614364.db2.gz FXTNIDRAFCHMAU-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288243 801614591 /nfs/dbraw/zinc/61/45/91/801614591.db2.gz SGDZTVNYIUAUFH-UHFFFAOYSA-N 2 0 291.399 0.178 20 30 CCEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506522 801660541 /nfs/dbraw/zinc/66/05/41/801660541.db2.gz KZFQQNZOEVWEQS-GJZGRUSLSA-N 2 0 295.427 0.912 20 30 CCEDRP N#Cc1c(NC[C@@H]2COCC[NH2+]2)ncc2c1CCC[NH2+]C2 ZINC001159035961 801746117 /nfs/dbraw/zinc/74/61/17/801746117.db2.gz KFJDDWYAVVVSHC-GFCCVEGCSA-N 2 0 287.367 0.389 20 30 CCEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159629584 801840673 /nfs/dbraw/zinc/84/06/73/801840673.db2.gz ZQWZUTIBNRTZGB-OAHLLOKOSA-N 2 0 275.396 0.852 20 30 CCEDRP N#Cc1c(N[C@@H]([NH3+])CCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001159780016 801868347 /nfs/dbraw/zinc/86/83/47/801868347.db2.gz NQPKVTSLPWBPQC-CYBMUJFWSA-N 3 0 274.372 0.425 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159931861 801892011 /nfs/dbraw/zinc/89/20/11/801892011.db2.gz KNDQFJCZHXWBPL-CYBMUJFWSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001278316554 806946164 /nfs/dbraw/zinc/94/61/64/806946164.db2.gz SUXXRLCWFGLUTN-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160861970 802035379 /nfs/dbraw/zinc/03/53/79/802035379.db2.gz FESZIVLKGOAEKW-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC[NH2+]1 ZINC001161015712 802061630 /nfs/dbraw/zinc/06/16/30/802061630.db2.gz KCXUVXRUHPPCDB-RISCZKNCSA-N 2 0 272.352 0.248 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)C#N ZINC001161144331 802100709 /nfs/dbraw/zinc/10/07/09/802100709.db2.gz JYSGRMIVPOSEPC-NEPJUHHUSA-N 2 0 254.378 0.852 20 30 CCEDRP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])Cc3ccccc3C#N)C2)C1 ZINC001161532886 802172713 /nfs/dbraw/zinc/17/27/13/802172713.db2.gz ZCLKKMYDMQKCQN-AWEZNQCLSA-N 2 0 284.363 0.202 20 30 CCEDRP N#Cc1cnc(NCCC[NH2+]CCCC[NH3+])c(C#N)c1 ZINC001162290535 802301479 /nfs/dbraw/zinc/30/14/79/802301479.db2.gz YYMZUXMUJCBTPY-UHFFFAOYSA-N 2 0 272.356 0.955 20 30 CCEDRP C=CC(NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)=[NH+]COC ZINC001163278915 802527431 /nfs/dbraw/zinc/52/74/31/802527431.db2.gz LHFVCYOOHQPBEN-OCCSQVGLSA-N 2 0 267.373 0.923 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694070 802941008 /nfs/dbraw/zinc/94/10/08/802941008.db2.gz VCXZQDODDXYWTO-STQMWFEESA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204799133 803101658 /nfs/dbraw/zinc/10/16/58/803101658.db2.gz RTGIYFYCHPMLEY-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757600 813445402 /nfs/dbraw/zinc/44/54/02/813445402.db2.gz GPMPNGZAZPYNEO-CABCVRRESA-N 2 0 293.411 0.167 20 30 CCEDRP C=CC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206145517 803210257 /nfs/dbraw/zinc/21/02/57/803210257.db2.gz BTXBXTVYSMPPHK-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206153073 803211153 /nfs/dbraw/zinc/21/11/53/803211153.db2.gz QSBXWFHBOFXBTB-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890396 803300566 /nfs/dbraw/zinc/30/05/66/803300566.db2.gz PNQKPZIMCSKUGE-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207547451 803418051 /nfs/dbraw/zinc/41/80/51/803418051.db2.gz WZXKKTYUSCGUHT-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207610153 803424267 /nfs/dbraw/zinc/42/42/67/803424267.db2.gz MQYMGKBLPWHFSR-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207683922 803437714 /nfs/dbraw/zinc/43/77/14/803437714.db2.gz IEKCLIHSYGGNOX-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001207697523 803438881 /nfs/dbraw/zinc/43/88/81/803438881.db2.gz BYRMEDLGKNBDHM-RBSFLKMASA-N 2 0 295.427 0.413 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001276656880 803616124 /nfs/dbraw/zinc/61/61/24/803616124.db2.gz SRRJLFXAYZGNKZ-GXTWGEPZSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671568 803700583 /nfs/dbraw/zinc/70/05/83/803700583.db2.gz MNNHNZVVHMTCAH-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847318 803760725 /nfs/dbraw/zinc/76/07/25/803760725.db2.gz BGDINDFVCCMXJK-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP N#Cc1cnc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218504904 803971522 /nfs/dbraw/zinc/97/15/22/803971522.db2.gz VGXOWXVCLGZLQI-VIFPVBQESA-N 2 0 262.317 0.133 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218981411 804172666 /nfs/dbraw/zinc/17/26/66/804172666.db2.gz QYCSTTJYDDAILN-MLGOLLRUSA-N 2 0 299.378 0.738 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804509 804426529 /nfs/dbraw/zinc/42/65/29/804426529.db2.gz YGRWSLLYWBSVKH-QLFBSQMISA-N 2 0 295.427 0.454 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001219943331 804453009 /nfs/dbraw/zinc/45/30/09/804453009.db2.gz DPBRZSKCYMNYCS-HNNXBMFYSA-N 2 0 259.353 0.715 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220413853 804598291 /nfs/dbraw/zinc/59/82/91/804598291.db2.gz RFZPSSUEHDKRNH-ZDUSSCGKSA-N 2 0 279.384 0.703 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221072968 804726920 /nfs/dbraw/zinc/72/69/20/804726920.db2.gz AFOVUMAOGFWMNG-CABCVRRESA-N 2 0 293.411 0.047 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221292501 804768057 /nfs/dbraw/zinc/76/80/57/804768057.db2.gz NEPSHYCLJGTETM-YPMHNXCESA-N 2 0 264.373 0.240 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)NCCCC[NH3+])cc1 ZINC001221347003 804785334 /nfs/dbraw/zinc/78/53/34/804785334.db2.gz DPOBKTJYBOKGSJ-CYBMUJFWSA-N 2 0 260.341 0.803 20 30 CCEDRP C=CC[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225154671 805110759 /nfs/dbraw/zinc/11/07/59/805110759.db2.gz DJJLUYUQBUZQGE-UHFFFAOYSA-N 2 0 283.416 0.579 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226554701 805246060 /nfs/dbraw/zinc/24/60/60/805246060.db2.gz OMNJIAYSBXXMIK-HNNXBMFYSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245995673 807109568 /nfs/dbraw/zinc/10/95/68/807109568.db2.gz DOBGFGURMFADDY-MJBXVCDLSA-N 2 0 252.358 0.391 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246029269 807126953 /nfs/dbraw/zinc/12/69/53/807126953.db2.gz LMYCLNYTDJQDOB-HZSPNIEDSA-N 2 0 256.390 0.857 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1CC[NH2+]CC1 ZINC001246304614 807215090 /nfs/dbraw/zinc/21/50/90/807215090.db2.gz FQVWKFQPVXWQOR-ZDUSSCGKSA-N 2 0 269.389 0.555 20 30 CCEDRP CS(=O)(=O)c1ccc(C(=[NH2+])NC2CC[NH2+]CC2)cc1 ZINC001246317981 807219831 /nfs/dbraw/zinc/21/98/31/807219831.db2.gz OBXPYPIMOKDZHU-UHFFFAOYSA-N 2 0 281.381 0.547 20 30 CCEDRP N#Cc1cccc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)c1 ZINC001247830566 807493444 /nfs/dbraw/zinc/49/34/44/807493444.db2.gz OEPOUSOPYRPWPF-LBPRGKRZSA-N 2 0 281.319 0.885 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001251857446 807723339 /nfs/dbraw/zinc/72/33/39/807723339.db2.gz CYEBFQMRJGKYRD-MRXNPFEDSA-N 2 0 289.379 0.523 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001251857595 807725715 /nfs/dbraw/zinc/72/57/15/807725715.db2.gz GLNGGVBDOAIEKB-AWEZNQCLSA-N 2 0 256.390 0.661 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251891485 807737594 /nfs/dbraw/zinc/73/75/94/807737594.db2.gz UDRIJYFGWWKBNP-LXTVHRRPSA-N 2 0 266.385 0.602 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083474685 815144919 /nfs/dbraw/zinc/14/49/19/815144919.db2.gz VHLKKJMEBOKZBY-YJNKXOJESA-N 2 0 295.427 0.454 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252484110 807887996 /nfs/dbraw/zinc/88/79/96/807887996.db2.gz ZGOZPWXJNOXHCD-CRWXNKLISA-N 2 0 254.374 0.765 20 30 CCEDRP C#CCOCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164678 808192804 /nfs/dbraw/zinc/19/28/04/808192804.db2.gz ROPBDOOIFWLVKO-UHFFFAOYSA-N 2 0 265.361 0.147 20 30 CCEDRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254642481 808269106 /nfs/dbraw/zinc/26/91/06/808269106.db2.gz HXWWPSNKZKAGKJ-KGLIPLIRSA-N 2 0 250.390 0.906 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076175593 815255401 /nfs/dbraw/zinc/25/54/01/815255401.db2.gz LQOHIYFMJCQDPK-YHUYYLMFSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076461891 815299809 /nfs/dbraw/zinc/29/98/09/815299809.db2.gz AIUUYSCMNIIWCW-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001265301209 809752570 /nfs/dbraw/zinc/75/25/70/809752570.db2.gz GCEHXEFBAUOUCM-HNNXBMFYSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265317269 809757392 /nfs/dbraw/zinc/75/73/92/809757392.db2.gz MHFKRJBISVJVQE-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001265377907 809768074 /nfs/dbraw/zinc/76/80/74/809768074.db2.gz DVATVRVBEDIUMC-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265624696 809815756 /nfs/dbraw/zinc/81/57/56/809815756.db2.gz XOEUCRKMJGPFON-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001265783003 809851946 /nfs/dbraw/zinc/85/19/46/809851946.db2.gz FVOPZMLHXJMSKI-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266189392 809957682 /nfs/dbraw/zinc/95/76/82/809957682.db2.gz QSAZUXFIHAFOQL-ZIAGYGMSSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001279624629 809990034 /nfs/dbraw/zinc/99/00/34/809990034.db2.gz OBPZHVQAQXZMCV-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267307231 811128540 /nfs/dbraw/zinc/12/85/40/811128540.db2.gz OMRSXASEWWSOED-KGLIPLIRSA-N 2 0 265.401 0.644 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001267338256 811173094 /nfs/dbraw/zinc/17/30/94/811173094.db2.gz SPCQBCRNNGUTOH-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422247 811294376 /nfs/dbraw/zinc/29/43/76/811294376.db2.gz HLTLTZUMYARIOD-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)CCN2CCOCC2)C1 ZINC001100758584 811607446 /nfs/dbraw/zinc/60/74/46/811607446.db2.gz FIIPMMLUBLEMEQ-UHFFFAOYSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001268042422 812078289 /nfs/dbraw/zinc/07/82/89/812078289.db2.gz QJUDJUYSFHXCEN-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891905 812124641 /nfs/dbraw/zinc/12/46/41/812124641.db2.gz KNQMMEISDWKWOK-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028118180 812291055 /nfs/dbraw/zinc/29/10/55/812291055.db2.gz XBLILTVNVKQKKR-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268303648 812467190 /nfs/dbraw/zinc/46/71/90/812467190.db2.gz BQXGBTFIKHYRDE-OLZOCXBDSA-N 2 0 269.389 0.112 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268398379 812544922 /nfs/dbraw/zinc/54/49/22/812544922.db2.gz YWSZUKJNERKTOF-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001028447196 812710373 /nfs/dbraw/zinc/71/03/73/812710373.db2.gz NMJWBQMLHHZPKS-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028548989 812829599 /nfs/dbraw/zinc/82/95/99/812829599.db2.gz JRAHUJVTHLAVBT-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580382 812862440 /nfs/dbraw/zinc/86/24/40/812862440.db2.gz VNSJFIRZAYUFAS-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1CC ZINC001269176298 813250804 /nfs/dbraw/zinc/25/08/04/813250804.db2.gz XBXUUUWCRJYHGS-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985353 813725020 /nfs/dbraw/zinc/72/50/20/813725020.db2.gz KKQJPELMQZQSCW-KGLIPLIRSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271206790 814333540 /nfs/dbraw/zinc/33/35/40/814333540.db2.gz HTPDEDCSLSGZFD-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001271701461 814517496 /nfs/dbraw/zinc/51/74/96/814517496.db2.gz YEXPKAXSNYJVOR-CABCVRRESA-N 2 0 289.423 0.790 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168146696 814739702 /nfs/dbraw/zinc/73/97/02/814739702.db2.gz IWMXVZFDSDPKIC-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980270 816201431 /nfs/dbraw/zinc/20/14/31/816201431.db2.gz CICNWSVLSRDHRH-ILXRZTDVSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cncn1C ZINC001272324444 816313631 /nfs/dbraw/zinc/31/36/31/816313631.db2.gz XIHDYRMLGUEDOU-ZFWWWQNUSA-N 2 0 288.395 0.860 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696118 816454112 /nfs/dbraw/zinc/45/41/12/816454112.db2.gz KFEWRSYQHYNRCM-KGLIPLIRSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001272555153 816576802 /nfs/dbraw/zinc/57/68/02/816576802.db2.gz IWRUETKQWDILJZ-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP N#Cc1cc(F)cc(CN2CCNC[C@]23CC[NH2+]C3)c1 ZINC001234992432 816790786 /nfs/dbraw/zinc/79/07/86/816790786.db2.gz ZNKFIZYOXXJSJL-OAHLLOKOSA-N 2 0 274.343 0.835 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031921637 817465369 /nfs/dbraw/zinc/46/53/69/817465369.db2.gz XKBBLFULOOMUQA-HNNXBMFYSA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976694 817514101 /nfs/dbraw/zinc/51/41/01/817514101.db2.gz QSCMTWJBMUZHRV-TZMCWYRMSA-N 2 0 265.401 0.808 20 30 CCEDRP C#CCN1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032128833 817656815 /nfs/dbraw/zinc/65/68/15/817656815.db2.gz LGFHPTXPRVOOJD-HUUCEWRRSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782766 817775418 /nfs/dbraw/zinc/77/54/18/817775418.db2.gz KQSUKXAGVRSXCG-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945625 818381392 /nfs/dbraw/zinc/38/13/92/818381392.db2.gz PVSFUHAOQGKXOC-QWHCGFSZSA-N 2 0 251.374 0.799 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033204907 818649595 /nfs/dbraw/zinc/64/95/95/818649595.db2.gz APOKCWKPEYVKHS-UKRRQHHQSA-N 2 0 286.379 0.611 20 30 CCEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033419059 818765262 /nfs/dbraw/zinc/76/52/62/818765262.db2.gz GNWRMPYIWVVNMY-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592038 818841703 /nfs/dbraw/zinc/84/17/03/818841703.db2.gz FBXJQGSEVWXMCD-ZDUSSCGKSA-N 2 0 263.385 0.801 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660504 818881268 /nfs/dbraw/zinc/88/12/68/818881268.db2.gz HXDFBENPZRDQIX-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033939424 819015300 /nfs/dbraw/zinc/01/53/00/819015300.db2.gz ALWSVXJSBSHYIA-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034524519 819227522 /nfs/dbraw/zinc/22/75/22/819227522.db2.gz HCMJWFRTHMJSBG-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649219 819271514 /nfs/dbraw/zinc/27/15/14/819271514.db2.gz TWVGLHXKSQDPEW-BZUAXINKSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707902 820455354 /nfs/dbraw/zinc/45/53/54/820455354.db2.gz YJVFRPDOCOAABP-FVQBIDKESA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079709320 820455854 /nfs/dbraw/zinc/45/58/54/820455854.db2.gz YWWOODMIEVHBHH-VHDGCEQUSA-N 2 0 277.412 0.951 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831306 821405231 /nfs/dbraw/zinc/40/52/31/821405231.db2.gz GBCRFFVBJGGEPL-RBSFLKMASA-N 2 0 275.396 0.494 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866405 821414340 /nfs/dbraw/zinc/41/43/40/821414340.db2.gz PABVCJFNTQYBHF-ZIAGYGMSSA-N 2 0 274.368 0.992 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063860 822208077 /nfs/dbraw/zinc/20/80/77/822208077.db2.gz DYWTWVAHRFMLFL-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086371685 822229760 /nfs/dbraw/zinc/22/97/60/822229760.db2.gz SNUFQVULSGAKHN-TUVASFSCSA-N 2 0 293.411 0.520 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081458 822249746 /nfs/dbraw/zinc/24/97/46/822249746.db2.gz SRUVJSYOFDOFAV-LSDHHAIUSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086478778 822274798 /nfs/dbraw/zinc/27/47/98/822274798.db2.gz ZMGQXNLJQYDZTP-SYQHCUMBSA-N 2 0 263.385 0.302 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531784 836332637 /nfs/dbraw/zinc/33/26/37/836332637.db2.gz UHNYSLMFZOPILY-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP N#C[C@H](Nc1cccc(CN2CC[C@@H]([NH3+])C2)c1)C(N)=O ZINC001170535675 837982441 /nfs/dbraw/zinc/98/24/41/837982441.db2.gz IPWBNIQDFFCZBQ-YPMHNXCESA-N 2 0 273.340 0.009 20 30 CCEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277058 838352186 /nfs/dbraw/zinc/35/21/86/838352186.db2.gz ANNFHPRSJIELML-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132367607 838372311 /nfs/dbraw/zinc/37/23/11/838372311.db2.gz DCORYDSJXFBMSJ-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132522230 838425955 /nfs/dbraw/zinc/42/59/55/838425955.db2.gz NFIACQIKDXISHU-KBPBESRZSA-N 2 0 265.401 0.929 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133865533 838756623 /nfs/dbraw/zinc/75/66/23/838756623.db2.gz FCPKJNSLEHHSPM-KOLCDFICSA-N 2 0 259.781 0.642 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893779 838767172 /nfs/dbraw/zinc/76/71/72/838767172.db2.gz OUNNQTQRFGKDFD-UHFFFAOYSA-N 2 0 273.380 0.743 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385518 844407753 /nfs/dbraw/zinc/40/77/53/844407753.db2.gz PKRPSHGNGSDZJT-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688200 839359696 /nfs/dbraw/zinc/35/96/96/839359696.db2.gz GUSRJZOHJIZRCV-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135743591 839387885 /nfs/dbraw/zinc/38/78/85/839387885.db2.gz MSPBIRXUDGMNTJ-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135861133 839447366 /nfs/dbraw/zinc/44/73/66/839447366.db2.gz MOHTVTBVIBUTRQ-LSDHHAIUSA-N 2 0 297.443 0.851 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923044 839472600 /nfs/dbraw/zinc/47/26/00/839472600.db2.gz GIKZBSICHKWASG-STQMWFEESA-N 2 0 269.389 0.071 20 30 CCEDRP N#Cc1c[nH]c2nc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170897079 839542813 /nfs/dbraw/zinc/54/28/13/839542813.db2.gz CTWOQYJNXXQSPE-ZETCQYMHSA-N 2 0 279.735 0.919 20 30 CCEDRP CCc1nc(C#N)c(C#N)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159788788 839580874 /nfs/dbraw/zinc/58/08/74/839580874.db2.gz LVLCRABWYPLNBN-NSHDSACASA-N 2 0 259.317 0.218 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246310588 839781675 /nfs/dbraw/zinc/78/16/75/839781675.db2.gz HDDPCWRWWKWCLH-MJBXVCDLSA-N 2 0 283.416 0.943 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147403262 840584047 /nfs/dbraw/zinc/58/40/47/840584047.db2.gz YDPDFCBZOVUCRU-MRXNPFEDSA-N 2 0 273.380 0.802 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051744 840735302 /nfs/dbraw/zinc/73/53/02/840735302.db2.gz SFIMUOZQALKOCK-UHFFFAOYSA-N 2 0 292.383 0.670 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521592 841031577 /nfs/dbraw/zinc/03/15/77/841031577.db2.gz AAFZEBAFEDYRKV-MCIONIFRSA-N 2 0 281.400 0.187 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001273458609 841113156 /nfs/dbraw/zinc/11/31/56/841113156.db2.gz QJHCWGZACZOFQB-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133447 841152653 /nfs/dbraw/zinc/15/26/53/841152653.db2.gz FRAGYNXATBMBIR-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCN(C)CC[NH3+] ZINC001172298758 841923378 /nfs/dbraw/zinc/92/33/78/841923378.db2.gz HOCCJBJKVXANFE-CYBMUJFWSA-N 2 0 260.385 0.969 20 30 CCEDRP C#CCC[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180061147 843102332 /nfs/dbraw/zinc/10/23/32/843102332.db2.gz YPWDXPJZUUAXRZ-UHFFFAOYSA-N 2 0 297.443 0.854 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183079486 843960885 /nfs/dbraw/zinc/96/08/85/843960885.db2.gz ARINQTNXDHZVRQ-UHFFFAOYSA-N 2 0 267.377 0.099 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850689 844782318 /nfs/dbraw/zinc/78/23/18/844782318.db2.gz GOLQZKQIGYSDAC-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187850688 844782387 /nfs/dbraw/zinc/78/23/87/844782387.db2.gz GOLQZKQIGYSDAC-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC#CCOC)[NH+](C)C ZINC001273577751 845104174 /nfs/dbraw/zinc/10/41/74/845104174.db2.gz DHGQDHWBFFCDRB-HNNXBMFYSA-N 2 0 297.443 0.757 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190653795 845453912 /nfs/dbraw/zinc/45/39/12/845453912.db2.gz GHOFGNPTQFWIOQ-CABCVRRESA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192047016 845770304 /nfs/dbraw/zinc/77/03/04/845770304.db2.gz QCPNEZFPBHIWQJ-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488184 846091499 /nfs/dbraw/zinc/09/14/99/846091499.db2.gz MARSIJFMLCBLRG-AWEZNQCLSA-N 2 0 283.416 0.673 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200689067 847680546 /nfs/dbraw/zinc/68/05/46/847680546.db2.gz ZTPFUXHYLLTZSC-GJZGRUSLSA-N 2 0 293.411 0.167 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201275853 847759198 /nfs/dbraw/zinc/75/91/98/847759198.db2.gz CLXGXKUQYRLNBJ-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201308787 847763837 /nfs/dbraw/zinc/76/38/37/847763837.db2.gz DPFOGEHZNHGPFH-OAHLLOKOSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001273895020 847784303 /nfs/dbraw/zinc/78/43/03/847784303.db2.gz ZUOJJJDHCZRPEF-GDBMZVCRSA-N 2 0 295.427 0.600 20 30 CCEDRP C[NH+]1CCN(c2cc(-n3nc(N)c(C#N)c3N)cc[nH+]2)CC1 ZINC001201653871 847803039 /nfs/dbraw/zinc/80/30/39/847803039.db2.gz GEXNEZKMEVUIHK-UHFFFAOYSA-N 2 0 298.354 0.055 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331311 847889388 /nfs/dbraw/zinc/88/93/88/847889388.db2.gz OTLDHRGOORHSLV-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001202504659 848003427 /nfs/dbraw/zinc/00/34/27/848003427.db2.gz VHDFPFXBXKCFJW-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252587059 848025212 /nfs/dbraw/zinc/02/52/12/848025212.db2.gz OVVYQMGJKZAUJV-CQSZACIVSA-N 2 0 255.406 0.541 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409188 848051470 /nfs/dbraw/zinc/05/14/70/848051470.db2.gz HWCROKWEMBPVKT-CBBWQLFWSA-N 2 0 275.396 0.396 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114438456 848064947 /nfs/dbraw/zinc/06/49/47/848064947.db2.gz BXPCJIZDJQPDPX-DGAVXFQQSA-N 2 0 265.401 0.805 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274760669 848562665 /nfs/dbraw/zinc/56/26/65/848562665.db2.gz POPAVOOIUPSVTE-MGPQQGTHSA-N 2 0 283.416 0.624 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001275334551 848693033 /nfs/dbraw/zinc/69/30/33/848693033.db2.gz NOLGUMQRZQFLDT-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275976322 848877525 /nfs/dbraw/zinc/87/75/25/848877525.db2.gz BSUVQPYCSBFHME-CHWSQXEVSA-N 2 0 253.390 0.642 20 30 CCEDRP C#CCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001275978411 848880606 /nfs/dbraw/zinc/88/06/06/848880606.db2.gz OMUJMMBWVXTYBI-GASCZTMLSA-N 2 0 265.401 0.346 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001095556388 848987603 /nfs/dbraw/zinc/98/76/03/848987603.db2.gz PBERTIRSJANLEA-QPSCCSFWSA-N 2 0 275.396 0.825 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981608 849036837 /nfs/dbraw/zinc/03/68/37/849036837.db2.gz UKMMNLACYKEKAG-MCIONIFRSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114746279 849385061 /nfs/dbraw/zinc/38/50/61/849385061.db2.gz PJJQJYXEAPVLHX-WDNDVIMCSA-N 2 0 275.396 0.398 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114848954 849434822 /nfs/dbraw/zinc/43/48/22/849434822.db2.gz IUBDXUCGQRUREV-RFQIPJPRSA-N 2 0 265.401 0.949 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039026424 850128079 /nfs/dbraw/zinc/12/80/79/850128079.db2.gz GCIQIYPSDCXNMW-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832426 850508675 /nfs/dbraw/zinc/50/86/75/850508675.db2.gz YHEFALGQGPCYSD-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314998 850613959 /nfs/dbraw/zinc/61/39/59/850613959.db2.gz YBQJVTGUSNRZOA-LSDHHAIUSA-N 2 0 287.407 0.638 20 30 CCEDRP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046189247 851412211 /nfs/dbraw/zinc/41/22/11/851412211.db2.gz KWEZESDRSGYRAC-OCCSQVGLSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975096 852126119 /nfs/dbraw/zinc/12/61/19/852126119.db2.gz OMVMGYWYUDRVRR-GASCZTMLSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024794 852141228 /nfs/dbraw/zinc/14/12/28/852141228.db2.gz CDASVCCHMZXLEW-IYBDPMFKSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215225 852196621 /nfs/dbraw/zinc/19/66/21/852196621.db2.gz OXMLQKAVELRQLO-OKILXGFUSA-N 2 0 261.369 0.106 20 30 CCEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379468 852446713 /nfs/dbraw/zinc/44/67/13/852446713.db2.gz GURYAIVGLFRNMV-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001052676679 852638688 /nfs/dbraw/zinc/63/86/88/852638688.db2.gz JCVIYCVPLOXAFT-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001000699528 853247097 /nfs/dbraw/zinc/24/70/97/853247097.db2.gz ILDGPSXSLBECDQ-UKRRQHHQSA-N 2 0 275.396 0.708 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052252448 853714679 /nfs/dbraw/zinc/71/46/79/853714679.db2.gz UDIHRCDYVXRHDU-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072982937 854506602 /nfs/dbraw/zinc/50/66/02/854506602.db2.gz GJZYRHPGDNDVHB-ZIAGYGMSSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073555290 854591872 /nfs/dbraw/zinc/59/18/72/854591872.db2.gz ZFQYZNZHBFUIGO-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886581 854660178 /nfs/dbraw/zinc/66/01/78/854660178.db2.gz RSXNJRYUNGAPRF-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001098398845 854862946 /nfs/dbraw/zinc/86/29/46/854862946.db2.gz NLFYSDRKCSUXFG-SYQHCUMBSA-N 2 0 263.385 0.846 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973979 855057540 /nfs/dbraw/zinc/05/75/40/855057540.db2.gz LVYXDCDINJGAQQ-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100443581 855169700 /nfs/dbraw/zinc/16/97/00/855169700.db2.gz OVUFKUIOXNCGRQ-JXQTWKCFSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635050 855202511 /nfs/dbraw/zinc/20/25/11/855202511.db2.gz YHXHOLFKCXQPBN-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001101009706 855253386 /nfs/dbraw/zinc/25/33/86/855253386.db2.gz ZPEJFCXVGCUNFI-YMAMQOFZSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015485 855407451 /nfs/dbraw/zinc/40/74/51/855407451.db2.gz HTKATRRCTNNLPH-KFWWJZLASA-N 2 0 297.418 0.984 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304049 855660787 /nfs/dbraw/zinc/66/07/87/855660787.db2.gz NRPOEXQTMNYMQX-NHAGDIPZSA-N 2 0 265.401 0.949 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338683 855663849 /nfs/dbraw/zinc/66/38/49/855663849.db2.gz QNZFNUXSTXNTQP-QLPKVWCKSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC001119304184 856624743 /nfs/dbraw/zinc/62/47/43/856624743.db2.gz IVDSUEGFAGPNKR-KBPBESRZSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120005788 856960312 /nfs/dbraw/zinc/96/03/12/856960312.db2.gz XNWGBTJILGLFID-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001323525432 912392364 /nfs/dbraw/zinc/39/23/64/912392364.db2.gz MZRAELRRSWWWKD-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC#CCOC)CC1 ZINC001323583461 912428386 /nfs/dbraw/zinc/42/83/86/912428386.db2.gz WOEHFCJSCWBIMI-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001323597258 912441643 /nfs/dbraw/zinc/44/16/43/912441643.db2.gz SULWRWNLXKOGIN-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001325122356 913228879 /nfs/dbraw/zinc/22/88/79/913228879.db2.gz FVTHNKBBMYZUSC-HNNXBMFYSA-N 2 0 281.400 0.067 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001325466793 913419925 /nfs/dbraw/zinc/41/99/25/913419925.db2.gz OESZESHKCDGTCR-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[C@@H](C(=O)NCC[N@H+](C)CC#CCOC)[NH+](C)C ZINC001480936629 891896808 /nfs/dbraw/zinc/89/68/08/891896808.db2.gz JVVWGXMKWXGHQD-ZDUSSCGKSA-N 2 0 269.389 0.024 20 30 CCEDRP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001481016195 892056658 /nfs/dbraw/zinc/05/66/58/892056658.db2.gz FLNDFAQDJXVPQP-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001325988725 913676936 /nfs/dbraw/zinc/67/69/36/913676936.db2.gz JSNZQBBWHHGKFP-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482284356 893771238 /nfs/dbraw/zinc/77/12/38/893771238.db2.gz WUVHRWFOMNRGAI-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482327363 893875775 /nfs/dbraw/zinc/87/57/75/893875775.db2.gz JTCMYNVTRTTXJJ-LSDHHAIUSA-N 2 0 297.443 0.659 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861286 894653745 /nfs/dbraw/zinc/65/37/45/894653745.db2.gz UNUVZSLKBNXQTD-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482899897 894672277 /nfs/dbraw/zinc/67/22/77/894672277.db2.gz YBRINXKBJTZSFA-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482947587 894721427 /nfs/dbraw/zinc/72/14/27/894721427.db2.gz MEQVDBQCHMMTTQ-CYBMUJFWSA-N 2 0 253.390 0.644 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483700546 895881138 /nfs/dbraw/zinc/88/11/38/895881138.db2.gz CNDUDLQRCHCUQY-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001483924510 896118830 /nfs/dbraw/zinc/11/88/30/896118830.db2.gz JBZZSCTZQDPIPM-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001485305219 896948904 /nfs/dbraw/zinc/94/89/04/896948904.db2.gz AXUPBMHMVYMYCI-HZSPNIEDSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001485377326 897008882 /nfs/dbraw/zinc/00/88/82/897008882.db2.gz ZUWZKRULXCCGQN-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485645755 897164644 /nfs/dbraw/zinc/16/46/44/897164644.db2.gz WCUMKQWLCPXNEP-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032782625 898184702 /nfs/dbraw/zinc/18/47/02/898184702.db2.gz JONBUZIYGUAVII-KBPBESRZSA-N 2 0 263.385 0.943 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001486028424 898618325 /nfs/dbraw/zinc/61/83/25/898618325.db2.gz VMEUXROHUQZZOL-MELADBBJSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127628 898686536 /nfs/dbraw/zinc/68/65/36/898686536.db2.gz JAEFIKAZYHNHCS-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486312380 898788178 /nfs/dbraw/zinc/78/81/78/898788178.db2.gz YLMPGXGYLULJLV-CABCVRRESA-N 2 0 297.443 0.703 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001486374940 898837722 /nfs/dbraw/zinc/83/77/22/898837722.db2.gz NOOBWXPGNLZVAK-UHFFFAOYSA-N 2 0 297.443 0.757 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477303 899838802 /nfs/dbraw/zinc/83/88/02/899838802.db2.gz ARAONYAXYDJHJC-ZDUSSCGKSA-N 2 0 253.390 0.692 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001488761996 900369831 /nfs/dbraw/zinc/36/98/31/900369831.db2.gz RJRDUFJDOSWMRC-HZSPNIEDSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490741597 900713566 /nfs/dbraw/zinc/71/35/66/900713566.db2.gz WKNASSZYNHWKJW-KBPBESRZSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280660426 900874185 /nfs/dbraw/zinc/87/41/85/900874185.db2.gz XZNONNFDCPFYAH-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321231680 900967075 /nfs/dbraw/zinc/96/70/75/900967075.db2.gz HRNNJACVVLIFPZ-MYSGNRETSA-N 2 0 265.401 0.858 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001490934684 903263753 /nfs/dbraw/zinc/26/37/53/903263753.db2.gz PSSKBHSTPXLAJQ-SHTZXODSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001491080230 903339404 /nfs/dbraw/zinc/33/94/04/903339404.db2.gz PCWJIXCWPJJTNS-SOUVJXGZSA-N 2 0 295.427 0.768 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC001280597442 904122614 /nfs/dbraw/zinc/12/26/14/904122614.db2.gz UQJHCGWAQAWKSU-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001280595472 904123748 /nfs/dbraw/zinc/12/37/48/904123748.db2.gz KNXIFJHAZUTGRM-CQSZACIVSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280757045 904146381 /nfs/dbraw/zinc/14/63/81/904146381.db2.gz SILSUBYICYBJNR-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1ncc[nH]1 ZINC001281965649 904377519 /nfs/dbraw/zinc/37/75/19/904377519.db2.gz VOVQUFMYCMNOHJ-CYBMUJFWSA-N 2 0 274.368 0.898 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001282066895 904403785 /nfs/dbraw/zinc/40/37/85/904403785.db2.gz TVAUXOLJEATLTB-IYXRBSQSSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001282241470 904441310 /nfs/dbraw/zinc/44/13/10/904441310.db2.gz LYEMYTVMPDKYGN-KGLIPLIRSA-N 2 0 275.396 0.448 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001492404689 907903643 /nfs/dbraw/zinc/90/36/43/907903643.db2.gz FYHVNKFMOIJHMD-CYBMUJFWSA-N 2 0 253.390 0.644 20 30 CCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316749431 908678436 /nfs/dbraw/zinc/67/84/36/908678436.db2.gz UBMYWUOJSITOCO-LSDHHAIUSA-N 2 0 295.427 0.409 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316994819 908905691 /nfs/dbraw/zinc/90/56/91/908905691.db2.gz LPZPXIYAEUFHCE-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351838 909153767 /nfs/dbraw/zinc/15/37/67/909153767.db2.gz BKEQGKTXSSVFOQ-LSDHHAIUSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C[N@H+](C)CCc1ccccc1 ZINC001317626217 909423467 /nfs/dbraw/zinc/42/34/67/909423467.db2.gz OAMNPJFDYJMLIO-UHFFFAOYSA-N 2 0 287.407 0.842 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001318594681 909830728 /nfs/dbraw/zinc/83/07/28/909830728.db2.gz JOEXFZKOFQCWCT-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001319204415 910038126 /nfs/dbraw/zinc/03/81/26/910038126.db2.gz FAMHGMSMWJCBBF-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001321417485 911287450 /nfs/dbraw/zinc/28/74/50/911287450.db2.gz SHDBENBBULJIOR-WAYWQWQTSA-N 2 0 273.380 0.227 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001321696036 911449684 /nfs/dbraw/zinc/44/96/84/911449684.db2.gz HGDPQPDICSJGKQ-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CC1 ZINC001322175400 911692003 /nfs/dbraw/zinc/69/20/03/911692003.db2.gz KXXZHMQIFXBUTQ-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182705 911698724 /nfs/dbraw/zinc/69/87/24/911698724.db2.gz HZRAKNUWGXCCAT-OLZOCXBDSA-N 2 0 253.390 0.642 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322999240 912063094 /nfs/dbraw/zinc/06/30/94/912063094.db2.gz HCSBVWFNUSQRRT-JKSUJKDBSA-N 2 0 289.423 0.836 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001329543210 915998912 /nfs/dbraw/zinc/99/89/12/915998912.db2.gz WKWCHOGZFBHKCC-LSDHHAIUSA-N 2 0 297.443 0.659 20 30 CCEDRP C=CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001330585618 916719136 /nfs/dbraw/zinc/71/91/36/916719136.db2.gz YSLOQGSUUPIUSP-ZDUSSCGKSA-N 2 0 251.374 0.706 20 30 CCEDRP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC001331594150 917440105 /nfs/dbraw/zinc/44/01/05/917440105.db2.gz CJDWIRXFKCNZID-INIZCTEOSA-N 2 0 293.455 0.909 20 30 CCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CCC ZINC001331610253 917450612 /nfs/dbraw/zinc/45/06/12/917450612.db2.gz BAWGSMYHIIFFMU-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001331852200 917660246 /nfs/dbraw/zinc/66/02/46/917660246.db2.gz VFJCBTWOJCJBPU-OAHLLOKOSA-N 2 0 294.443 0.658 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001403860395 918068163 /nfs/dbraw/zinc/06/81/63/918068163.db2.gz BDSFDJNTLBLNAK-VXGBXAGGSA-N 2 0 291.823 0.488 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC001332407499 918130201 /nfs/dbraw/zinc/13/02/01/918130201.db2.gz DWMDHLNCJVJUCA-HNNXBMFYSA-N 2 0 292.427 0.869 20 30 CCEDRP C[NH+](C)CCCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333178909 918711301 /nfs/dbraw/zinc/71/13/01/918711301.db2.gz VYRXEQQLZLMUIU-OWYJLGKBSA-N 2 0 278.400 0.584 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001333223591 918739460 /nfs/dbraw/zinc/73/94/60/918739460.db2.gz QZZIUTZLIDQFOP-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001335413277 920180321 /nfs/dbraw/zinc/18/03/21/920180321.db2.gz OKBPUHJFVWGFID-BFHYXJOUSA-N 2 0 278.400 0.829 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001335443005 920195462 /nfs/dbraw/zinc/19/54/62/920195462.db2.gz FAOFHULUKSSJJN-DZGCQCFKSA-N 2 0 292.427 0.982 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001335540091 920262499 /nfs/dbraw/zinc/26/24/99/920262499.db2.gz WQZCOVYSTPRUTR-HIFRSBDPSA-N 2 0 278.400 0.464 20 30 CCEDRP CN(C[C@H](O)C[NH2+]CC#CC[NH+](C)C)C(=O)OC(C)(C)C ZINC001336784396 921009985 /nfs/dbraw/zinc/00/99/85/921009985.db2.gz PTHHCUVUSMYXGB-CYBMUJFWSA-N 2 0 299.415 0.369 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001340908219 922271350 /nfs/dbraw/zinc/27/13/50/922271350.db2.gz RGWDVBDQCNVGSY-GMXVVIOVSA-N 2 0 252.362 0.225 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001341677069 922622847 /nfs/dbraw/zinc/62/28/47/922622847.db2.gz JFNSSTYZOHNCNW-MCIONIFRSA-N 2 0 281.400 0.649 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC001341716868 922639962 /nfs/dbraw/zinc/63/99/62/922639962.db2.gz KGVZIROWCBAWIK-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001342238086 922871536 /nfs/dbraw/zinc/87/15/36/922871536.db2.gz LCRNNRUYHXYLAP-OLZOCXBDSA-N 2 0 269.389 0.507 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC001343356752 923282627 /nfs/dbraw/zinc/28/26/27/923282627.db2.gz TWISTBKZGOMCHQ-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343764635 923461682 /nfs/dbraw/zinc/46/16/82/923461682.db2.gz KABRMARIEPLCLF-CHWSQXEVSA-N 2 0 266.389 0.904 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[NH2+]C1 ZINC001343850758 923483589 /nfs/dbraw/zinc/48/35/89/923483589.db2.gz FPYZZWHEISBOOE-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C[NH+]1CCN(C2CC[NH+](CCOCCC#N)CC2)CC1 ZINC001352926792 925674204 /nfs/dbraw/zinc/67/42/04/925674204.db2.gz ZVDWSHUKOKSZBJ-UHFFFAOYSA-N 2 0 280.416 0.628 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC001354473875 926114549 /nfs/dbraw/zinc/11/45/49/926114549.db2.gz DNLRBFGLVNJIBL-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H](C[NH+](C)C)OCC)CCC[NH2+]1 ZINC001354944284 926186206 /nfs/dbraw/zinc/18/62/06/926186206.db2.gz SYADUIPYGGQLHB-DZGCQCFKSA-N 2 0 283.416 0.768 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001448875856 931013705 /nfs/dbraw/zinc/01/37/05/931013705.db2.gz YOEIULVKCBWJMN-GJZGRUSLSA-N 2 0 294.443 0.341 20 30 CCEDRP N#CC1(C[C@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000600744866 362052419 /nfs/dbraw/zinc/05/24/19/362052419.db2.gz QEGJDJLZIQMRSS-CABCVRRESA-N 2 0 295.427 0.868 20 30 CCEDRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[NH2+]1 ZINC000602556524 362677081 /nfs/dbraw/zinc/67/70/81/362677081.db2.gz VOGQCNAVILVSAA-WOPDTQHZSA-N 2 0 252.362 0.654 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000363067374 357058417 /nfs/dbraw/zinc/05/84/17/357058417.db2.gz GQRMLRPQWAONON-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C[C@H](NC(=O)[C@]1(C#N)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000592958544 359999537 /nfs/dbraw/zinc/99/95/37/359999537.db2.gz DCBKGSRZUJUJAA-FZMZJTMJSA-N 2 0 264.373 0.336 20 30 CCEDRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437920 360307081 /nfs/dbraw/zinc/30/70/81/360307081.db2.gz LMKNDXZCKXEFIK-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440574 360310102 /nfs/dbraw/zinc/31/01/02/360310102.db2.gz FUGBOTPKDJFLAC-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]2C1 ZINC000594443586 360311785 /nfs/dbraw/zinc/31/17/85/360311785.db2.gz RWSQDSKTKUWHJD-MCIONIFRSA-N 2 0 278.400 0.950 20 30 CCEDRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595938344 360715088 /nfs/dbraw/zinc/71/50/88/360715088.db2.gz OOOMWOPPEITYOO-NWDGAFQWSA-N 2 0 266.389 0.997 20 30 CCEDRP C[C@H](CCNC(=O)[C@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000595938904 360715392 /nfs/dbraw/zinc/71/53/92/360715392.db2.gz RAAARNSHUANKTF-VXGBXAGGSA-N 2 0 254.378 0.854 20 30 CCEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000596653781 360936844 /nfs/dbraw/zinc/93/68/44/360936844.db2.gz LKCVTNCXFRIWFS-ZJUUUORDSA-N 2 0 261.329 0.813 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(CC)CC[NH3+])CC1 ZINC000626971000 368703255 /nfs/dbraw/zinc/70/32/55/368703255.db2.gz XPJXIRIBDZECMC-UHFFFAOYSA-N 2 0 254.378 0.627 20 30 CCEDRP C=CCCCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574666652 335038354 /nfs/dbraw/zinc/03/83/54/335038354.db2.gz VSBNFKQUNBPICT-GFCCVEGCSA-N 2 0 254.378 0.627 20 30 CCEDRP CC[NH+](CC#CC[N@@H+](CC)[C@@H](C)CO)[C@H](C)CO ZINC000339628275 389136594 /nfs/dbraw/zinc/13/65/94/389136594.db2.gz YVUFOAMDJRHYGW-OKILXGFUSA-N 2 0 256.390 0.395 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442774484 389862786 /nfs/dbraw/zinc/86/27/86/389862786.db2.gz AKMDRBIYTSAUTD-MCIONIFRSA-N 2 0 250.390 0.904 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659450742 413511382 /nfs/dbraw/zinc/51/13/82/413511382.db2.gz USPCAASZOLLNFB-LBPRGKRZSA-N 2 0 268.405 0.934 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CCC[NH2+]1 ZINC000662761593 414771563 /nfs/dbraw/zinc/77/15/63/414771563.db2.gz OIKPCAITVIOQOJ-YRGRVCCFSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC[NH2+]1 ZINC000662772777 414778999 /nfs/dbraw/zinc/77/89/99/414778999.db2.gz QTRLNRGXEWRXOX-VNHYZAJKSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662780571 414786844 /nfs/dbraw/zinc/78/68/44/414786844.db2.gz QJSACASWZNSIKR-GOEBONIOSA-N 2 0 292.427 0.191 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC000662419934 414716816 /nfs/dbraw/zinc/71/68/16/414716816.db2.gz PPKRCAMPRCNHCM-SGMGOOAPSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662779514 414787425 /nfs/dbraw/zinc/78/74/25/414787425.db2.gz KRANYDFGCVGJGN-HOCLYGCPSA-N 2 0 292.427 0.191 20 30 CCEDRP C[NH+](C)C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000113515027 228042453 /nfs/dbraw/zinc/04/24/53/228042453.db2.gz QMHZVHRLARYCDQ-IUODEOHRSA-N 2 0 278.400 0.678 20 30 CCEDRP CNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190528188 264394055 /nfs/dbraw/zinc/39/40/55/264394055.db2.gz BPZBXTDDUPWCGF-AWEZNQCLSA-N 2 0 276.384 0.812 20 30 CCEDRP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)CN1CC[NH+](C)CC1 ZINC000562994051 327739371 /nfs/dbraw/zinc/73/93/71/327739371.db2.gz UJBSVLPBHIYBFF-GJZGRUSLSA-N 2 0 277.416 0.903 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N(C)C[C@@H]1CCOC1 ZINC000178964443 329203347 /nfs/dbraw/zinc/20/33/47/329203347.db2.gz RPYKKAYLNIOETL-ZDUSSCGKSA-N 2 0 268.405 0.626 20 30 CCEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCO[C@H](COC)C1 ZINC000179263826 329206892 /nfs/dbraw/zinc/20/68/92/329206892.db2.gz MGENQTVKJKZRKY-AWEZNQCLSA-N 2 0 298.431 0.251 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(C#N)CC1 ZINC000584387642 329317398 /nfs/dbraw/zinc/31/73/98/329317398.db2.gz FWZMHQSTMWGRKS-UHFFFAOYSA-N 2 0 281.404 0.425 20 30 CCEDRP CSC1(CNC2=[NH+]CCN2C)CC[NH+](C)CC1 ZINC000262231510 330002014 /nfs/dbraw/zinc/00/20/14/330002014.db2.gz AAQWXASYAJUBKX-UHFFFAOYSA-N 2 0 256.419 0.705 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000262473138 330015868 /nfs/dbraw/zinc/01/58/68/330015868.db2.gz PMMPNLASPNOGMY-KGLIPLIRSA-N 2 0 297.447 0.048 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262512794 330018994 /nfs/dbraw/zinc/01/89/94/330018994.db2.gz MLMXAYABOQQSMP-YPMHNXCESA-N 2 0 286.445 0.243 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000263187320 330048060 /nfs/dbraw/zinc/04/80/60/330048060.db2.gz VBHPLLSXQNIRAR-RISCZKNCSA-N 2 0 281.404 0.044 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424146907 330293865 /nfs/dbraw/zinc/29/38/65/330293865.db2.gz QKEHJCIXNPBPAE-CHWSQXEVSA-N 2 0 266.389 0.950 20 30 CCEDRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424172847 330312906 /nfs/dbraw/zinc/31/29/06/330312906.db2.gz DOYQUIPAXLZXHF-KBPBESRZSA-N 2 0 296.415 0.577 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000424179196 330318598 /nfs/dbraw/zinc/31/85/98/330318598.db2.gz SRHPMOCRWJOQQQ-NEPJUHHUSA-N 2 0 252.362 0.737 20 30 CCEDRP C=CCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120321288 330386892 /nfs/dbraw/zinc/38/68/92/330386892.db2.gz MUKFTWSCTQVOLB-UHFFFAOYSA-N 2 0 277.434 0.318 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCCC[NH+](C)C)CC1 ZINC000490671404 332102006 /nfs/dbraw/zinc/10/20/06/332102006.db2.gz SJDDBSDFEIWVOJ-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000491220622 332168591 /nfs/dbraw/zinc/16/85/91/332168591.db2.gz PANRHUYMVAWQEE-KRWDZBQOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000491338042 332192364 /nfs/dbraw/zinc/19/23/64/332192364.db2.gz FUZTYEJFVVTFDM-UONOGXRCSA-N 2 0 278.400 0.335 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000491513978 332226501 /nfs/dbraw/zinc/22/65/01/332226501.db2.gz FQUMSNIMKQCZPJ-AWEZNQCLSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000491621360 332246680 /nfs/dbraw/zinc/24/66/80/332246680.db2.gz GYPSBPHGDHXSMN-LBPRGKRZSA-N 2 0 254.378 0.096 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)C[NH2+]C ZINC000491621352 332246712 /nfs/dbraw/zinc/24/67/12/332246712.db2.gz GYPSBPHGDHXSMN-GFCCVEGCSA-N 2 0 254.378 0.096 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000491727606 332310806 /nfs/dbraw/zinc/31/08/06/332310806.db2.gz GGFNVUNUMMOTMF-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000329230302 534077392 /nfs/dbraw/zinc/07/73/92/534077392.db2.gz DJHCWCLMOPRWPV-IHRRRGAJSA-N 2 0 298.431 0.382 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000669936935 545223921 /nfs/dbraw/zinc/22/39/21/545223921.db2.gz FVXOERGCJQKSSV-HNNXBMFYSA-N 2 0 266.385 0.680 20 30 CCEDRP CO[C@H](C)C[NH+](C)CC#CC[N@@H+](C)C[C@H](C)OC ZINC000796641731 581447225 /nfs/dbraw/zinc/44/72/25/581447225.db2.gz YYLOKZJRLHWKJG-OKILXGFUSA-N 2 0 256.390 0.923 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC#N ZINC000787363735 581469241 /nfs/dbraw/zinc/46/92/41/581469241.db2.gz OAVXWCWRMVHNEI-UHFFFAOYSA-N 2 0 255.366 0.035 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000765506607 581522658 /nfs/dbraw/zinc/52/26/58/581522658.db2.gz JUSMARACOUWFEZ-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP C[C@@H]1CC(=NNC(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000741465045 581753940 /nfs/dbraw/zinc/75/39/40/581753940.db2.gz YBLFKAYAMBSEKR-LLVKDONJSA-N 2 0 285.461 0.872 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969674215 612963826 /nfs/dbraw/zinc/96/38/26/612963826.db2.gz IFWNZPGPOYHKGD-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000981976810 613004534 /nfs/dbraw/zinc/00/45/34/613004534.db2.gz RVEWLMQENMXCOR-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980412765 613083489 /nfs/dbraw/zinc/08/34/89/613083489.db2.gz NQSNNYXYZCBHOT-HUUCEWRRSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000969691203 613117534 /nfs/dbraw/zinc/11/75/34/613117534.db2.gz RVPJIYLIRPNQDD-VHDGCEQUSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000980479881 613129076 /nfs/dbraw/zinc/12/90/76/613129076.db2.gz YMSZYMHMMHAGKC-MRXNPFEDSA-N 2 0 287.407 0.498 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912920489 613129792 /nfs/dbraw/zinc/12/97/92/613129792.db2.gz XAFZHMNPJSVQBN-HNNXBMFYSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000928659861 613133472 /nfs/dbraw/zinc/13/34/72/613133472.db2.gz BFQZHOILVSPCSG-INIZCTEOSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000915152324 613134247 /nfs/dbraw/zinc/13/42/47/613134247.db2.gz BWWDFVPFXZWMTE-ZDUSSCGKSA-N 2 0 280.416 0.723 20 30 CCEDRP C[NH+]=C(NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)NC1CC1 ZINC000103337804 613219246 /nfs/dbraw/zinc/21/92/46/613219246.db2.gz WXOQGOZIARANFG-RYUDHWBXSA-N 2 0 268.405 0.813 20 30 CCEDRP C[NH+]=C(NCCC[NH2+]C(C)(C)C)NCCN1CCOCC1 ZINC000848993978 613219492 /nfs/dbraw/zinc/21/94/92/613219492.db2.gz AGELJVSESBJLRT-UHFFFAOYSA-N 2 0 299.463 0.262 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000815107780 613324511 /nfs/dbraw/zinc/32/45/11/613324511.db2.gz UGSDCTCXVFVLFC-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592554 613340624 /nfs/dbraw/zinc/34/06/24/613340624.db2.gz RRHPPSNJCSBWFU-KBPBESRZSA-N 2 0 293.411 0.067 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374789 613340660 /nfs/dbraw/zinc/34/06/60/613340660.db2.gz OHDNBJCMMCAYJN-GJZGRUSLSA-N 2 0 295.427 0.313 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977902529 613343743 /nfs/dbraw/zinc/34/37/43/613343743.db2.gz BKTYGJLFPRGKEM-XQLPTFJDSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000900307617 613364965 /nfs/dbraw/zinc/36/49/65/613364965.db2.gz OLMPAFHMEYMWLK-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000900623797 613365702 /nfs/dbraw/zinc/36/57/02/613365702.db2.gz LOLFVBSPSXWVPE-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912589072 613365918 /nfs/dbraw/zinc/36/59/18/613365918.db2.gz LXFRCTSRSMRHNC-UHFFFAOYSA-N 2 0 297.443 0.703 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827277925 613366178 /nfs/dbraw/zinc/36/61/78/613366178.db2.gz RHMVFGNBXCWOOD-CHWSQXEVSA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824084456 613366885 /nfs/dbraw/zinc/36/68/85/613366885.db2.gz GMHWGWWIVGTEFD-NWDGAFQWSA-N 2 0 253.390 0.949 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413782 613591025 /nfs/dbraw/zinc/59/10/25/613591025.db2.gz HCKWFAHNALRJOX-FQUUOJAGSA-N 2 0 295.383 0.180 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453102 613855047 /nfs/dbraw/zinc/85/50/47/613855047.db2.gz JOQZITMVISNUMU-QWHCGFSZSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000843339924 613886036 /nfs/dbraw/zinc/88/60/36/613886036.db2.gz DTDBDLQFCIRTCX-RWMBFGLXSA-N 2 0 272.414 0.565 20 30 CCEDRP CC(C)[NH2+]CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852796000 613949005 /nfs/dbraw/zinc/94/90/05/613949005.db2.gz OGGYVLGPLBGHJX-UHFFFAOYSA-N 2 0 251.374 0.494 20 30 CCEDRP CC(C)(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@@H]([NH3+])c1ccccc1 ZINC000841850022 614301714 /nfs/dbraw/zinc/30/17/14/614301714.db2.gz UNOHEIZOSDEPAP-MJBXVCDLSA-N 2 0 286.379 0.940 20 30 CCEDRP CC(C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884185074 614356246 /nfs/dbraw/zinc/35/62/46/614356246.db2.gz KAFBLTQKELZIEP-NPCAHTBFSA-N 2 0 290.411 0.678 20 30 CCEDRP CCNC(NC[C@@H]1CC[N@@H+]1C1CCOCC1)=[NH+]CC ZINC000899262606 614421021 /nfs/dbraw/zinc/42/10/21/614421021.db2.gz OAIODQVSLYYHIR-ZDUSSCGKSA-N 2 0 268.405 0.815 20 30 CCEDRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913521245 614504177 /nfs/dbraw/zinc/50/41/77/614504177.db2.gz QEXWMQDCPKJZBV-LBPRGKRZSA-N 2 0 253.390 0.834 20 30 CCEDRP CCCN(CC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852893785 614578815 /nfs/dbraw/zinc/57/88/15/614578815.db2.gz JZJDASCPHCNOHN-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834483981 615111984 /nfs/dbraw/zinc/11/19/84/615111984.db2.gz BZLDORMLOGINRD-QJPTWQEYSA-N 2 0 250.346 0.089 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H](C[NH3+])C1CC1 ZINC000884338762 615799229 /nfs/dbraw/zinc/79/92/29/615799229.db2.gz RCGYIFYXOFXCMD-DNCHLWJUSA-N 2 0 276.384 0.321 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H](C[NH3+])C1CC1 ZINC000884338764 615799324 /nfs/dbraw/zinc/79/93/24/615799324.db2.gz RCGYIFYXOFXCMD-ICRTXTNUSA-N 2 0 276.384 0.321 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000913524157 615859407 /nfs/dbraw/zinc/85/94/07/615859407.db2.gz BYLKHXNSMFCTDM-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C[NH+](C)C[C@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883798 615945337 /nfs/dbraw/zinc/94/53/37/615945337.db2.gz NYIXEQIOPLVATN-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000870981002 616322632 /nfs/dbraw/zinc/32/26/32/616322632.db2.gz FDOLUKZCMPRSAC-HZSPNIEDSA-N 2 0 278.400 0.950 20 30 CCEDRP C[NH2+]CCOc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000884250058 616970378 /nfs/dbraw/zinc/97/03/78/616970378.db2.gz WQBMLJRHVDOORB-TZMCWYRMSA-N 2 0 288.351 0.126 20 30 CCEDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852879750 616985610 /nfs/dbraw/zinc/98/56/10/616985610.db2.gz ZDPXTFWPGNUOIA-STQMWFEESA-N 2 0 267.348 0.148 20 30 CCEDRP C[NH2+]C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852790644 616997256 /nfs/dbraw/zinc/99/72/56/616997256.db2.gz SREBCQYFFPIQQW-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001026045558 625325680 /nfs/dbraw/zinc/32/56/80/625325680.db2.gz HWRIWCZLJOMJSD-SEBNEYGDSA-N 2 0 275.396 0.254 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]12 ZINC001026283291 625387792 /nfs/dbraw/zinc/38/77/92/625387792.db2.gz FXDLFDDMEFADKJ-VNQPRFMTSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCC)C2)CC1 ZINC001023128256 622919151 /nfs/dbraw/zinc/91/91/51/622919151.db2.gz WGQVKQFCCJELGE-GASCZTMLSA-N 2 0 277.412 0.978 20 30 CCEDRP CCNC(=O)C(C)(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000157403624 622971456 /nfs/dbraw/zinc/97/14/56/622971456.db2.gz SNARAURGGCWXFB-GFCCVEGCSA-N 2 0 297.447 0.537 20 30 CCEDRP C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365535 623300234 /nfs/dbraw/zinc/30/02/34/623300234.db2.gz CEDZGAUZRUAFBO-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020499961 624497358 /nfs/dbraw/zinc/49/73/58/624497358.db2.gz JLYMXNPARATPFQ-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121220 624876110 /nfs/dbraw/zinc/87/61/10/624876110.db2.gz AMVCMXUCLYYNIJ-RQJABVFESA-N 2 0 279.384 0.272 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261872725 631665614 /nfs/dbraw/zinc/66/56/14/631665614.db2.gz PGWGYOOYFLAYSZ-STQMWFEESA-N 2 0 268.405 0.944 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000985494362 632519286 /nfs/dbraw/zinc/51/92/86/632519286.db2.gz DZBISNFKHILQAK-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987257922 632849493 /nfs/dbraw/zinc/84/94/93/632849493.db2.gz ZPUAUYQLKCZJDV-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987517668 632874513 /nfs/dbraw/zinc/87/45/13/632874513.db2.gz IZCMVEVAAUISFK-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995954259 638806146 /nfs/dbraw/zinc/80/61/46/638806146.db2.gz XGHCEQALVZKXJM-CHWSQXEVSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995981197 638806536 /nfs/dbraw/zinc/80/65/36/638806536.db2.gz NHERHBAHPHBPBF-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997195859 638859117 /nfs/dbraw/zinc/85/91/17/638859117.db2.gz YEWCNGHVYFZBMV-UHFFFAOYSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997389845 638867037 /nfs/dbraw/zinc/86/70/37/638867037.db2.gz KHJHNISINLFIHC-CQSZACIVSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997507216 638873713 /nfs/dbraw/zinc/87/37/13/638873713.db2.gz BWYSBNOEFMGGJI-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014472100 650454742 /nfs/dbraw/zinc/45/47/42/650454742.db2.gz ONHUCHPECXFCNI-ZDUSSCGKSA-N 2 0 291.399 0.435 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000923410541 640128497 /nfs/dbraw/zinc/12/84/97/640128497.db2.gz HNYMKBIIHJNNCE-SNPRPXQTSA-N 2 0 289.379 0.825 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001015797230 650631864 /nfs/dbraw/zinc/63/18/64/650631864.db2.gz ZZEXXYFAOOXLSR-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CC[NH2+]CC1 ZINC000834484117 642574669 /nfs/dbraw/zinc/57/46/69/642574669.db2.gz DXWTWJJJIFQUSQ-KGYLQXTDSA-N 2 0 264.373 0.240 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000834484854 642576776 /nfs/dbraw/zinc/57/67/76/642576776.db2.gz OILZSYTXTJNIQQ-DGCLKSJQSA-N 2 0 287.367 0.254 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016930012 650772412 /nfs/dbraw/zinc/77/24/12/650772412.db2.gz HXAYFVWFXMIYTH-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016930015 650772417 /nfs/dbraw/zinc/77/24/17/650772417.db2.gz HXAYFVWFXMIYTH-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000841849643 642843804 /nfs/dbraw/zinc/84/38/04/642843804.db2.gz DWWWJXNGBWHAPK-KWCYVHTRSA-N 2 0 270.336 0.101 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844194758 643177376 /nfs/dbraw/zinc/17/73/76/643177376.db2.gz KDKKXKXBPZOHTF-STQMWFEESA-N 2 0 264.373 0.480 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000852827514 644013830 /nfs/dbraw/zinc/01/38/30/644013830.db2.gz JYUOCJQQYOCLBY-GWCFXTLKSA-N 2 0 256.309 0.131 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000852874819 644036280 /nfs/dbraw/zinc/03/62/80/644036280.db2.gz CHRXMQRIYIBUFA-SMDDNHRTSA-N 2 0 270.336 0.174 20 30 CCEDRP [NH3+]CCN(Cc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852876372 644038012 /nfs/dbraw/zinc/03/80/12/644038012.db2.gz ZOBJNNQIOUTTGS-UHFFFAOYSA-N 2 0 285.391 0.977 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000852882077 644040497 /nfs/dbraw/zinc/04/04/97/644040497.db2.gz XGPPXNSCBOZNMQ-KGLIPLIRSA-N 2 0 261.369 0.200 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC[NH2+]C1 ZINC000867966716 645691109 /nfs/dbraw/zinc/69/11/09/645691109.db2.gz SZXVDJGLPJUDBM-GXTWGEPZSA-N 2 0 270.336 0.223 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178646 651046346 /nfs/dbraw/zinc/04/63/46/651046346.db2.gz AMVCMXUCLYYNIJ-SYQHCUMBSA-N 2 0 279.384 0.272 20 30 CCEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000104172473 648204398 /nfs/dbraw/zinc/20/43/98/648204398.db2.gz KOTKZRDSSXNTTO-NSHDSACASA-N 2 0 252.362 0.118 20 30 CCEDRP C[NH+]=C(NCCCC[NH+]1CCN(C)CC1)NC1CC1 ZINC000303395346 649818307 /nfs/dbraw/zinc/81/83/07/649818307.db2.gz HBQZBASXFIABDH-UHFFFAOYSA-N 2 0 267.421 0.341 20 30 CCEDRP CCOC(=O)CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303700242 649824121 /nfs/dbraw/zinc/82/41/21/649824121.db2.gz HMMFQIXDNSTXAF-LBPRGKRZSA-N 2 0 284.404 0.718 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCCOC ZINC000303784621 649825145 /nfs/dbraw/zinc/82/51/45/649825145.db2.gz PMCOGLIXMATJKM-CYBMUJFWSA-N 2 0 286.420 0.428 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303897946 649826589 /nfs/dbraw/zinc/82/65/89/649826589.db2.gz QWKCUKHDLQGOSF-STQMWFEESA-N 2 0 268.405 0.754 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303908637 649826928 /nfs/dbraw/zinc/82/69/28/649826928.db2.gz XSABPTYWEWQLHC-ZDUSSCGKSA-N 2 0 269.437 0.669 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041677426 790828985 /nfs/dbraw/zinc/82/89/85/790828985.db2.gz BXJHRJBHMLCMEK-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001277783581 806043334 /nfs/dbraw/zinc/04/33/34/806043334.db2.gz WMNHPKHZXDGPPM-QWHCGFSZSA-N 2 0 269.389 0.330 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001266826146 791271333 /nfs/dbraw/zinc/27/13/33/791271333.db2.gz OANMOGBHGQFMLW-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266992442 791426595 /nfs/dbraw/zinc/42/65/95/791426595.db2.gz BLRBNSFKUXGYCK-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267242078 793231725 /nfs/dbraw/zinc/23/17/25/793231725.db2.gz VRRMNIMTGJLYRK-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001277989532 806597223 /nfs/dbraw/zinc/59/72/23/806597223.db2.gz ZHHQHLIMMAJXFT-UONOGXRCSA-N 2 0 283.416 0.413 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001121939191 799101927 /nfs/dbraw/zinc/10/19/27/799101927.db2.gz FZDOLEGTTDEHBH-NWDGAFQWSA-N 2 0 251.374 0.928 20 30 CCEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001122157128 799157242 /nfs/dbraw/zinc/15/72/42/799157242.db2.gz UNWAHJWXCVMNIY-UPJWGTAASA-N 2 0 271.405 0.513 20 30 CCEDRP [NH3+][C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C12CCC2 ZINC001122341978 799205643 /nfs/dbraw/zinc/20/56/43/799205643.db2.gz TUFFOECDUGHVLK-CHWSQXEVSA-N 2 0 261.369 0.376 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203010517 799886034 /nfs/dbraw/zinc/88/60/34/799886034.db2.gz PZAZWEKVUZCQBE-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151158558 800403998 /nfs/dbraw/zinc/40/39/98/800403998.db2.gz PJNUZSNEUWHCNJ-AWEZNQCLSA-N 2 0 283.416 0.627 20 30 CCEDRP C=CCNC(=O)c1cccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157098891 801300005 /nfs/dbraw/zinc/30/00/05/801300005.db2.gz FLHYAJQISLALLW-UHFFFAOYSA-N 2 0 290.371 0.673 20 30 CCEDRP N#Cc1c2c(cnc1N1C[C@@H]3C[NH2+][C@@H]3C1)C[NH2+]CCC2 ZINC001157617755 801434842 /nfs/dbraw/zinc/43/48/42/801434842.db2.gz KRENCXXTHKCTTO-SMDDNHRTSA-N 2 0 269.352 0.397 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158337447 801621856 /nfs/dbraw/zinc/62/18/56/801621856.db2.gz NXUKKDQNESYUJE-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159149070 801764751 /nfs/dbraw/zinc/76/47/51/801764751.db2.gz SOSXGDDTXGZHBU-CYBMUJFWSA-N 2 0 271.380 0.786 20 30 CCEDRP N#Cc1cc(NC2=CC[NH2+]C2)ccc1N1CC[NH2+]CC1 ZINC001159749040 801862351 /nfs/dbraw/zinc/86/23/51/801862351.db2.gz WNIMCWJRXDMCNG-UHFFFAOYSA-N 2 0 269.352 0.867 20 30 CCEDRP Cc1nc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1C#N ZINC001159784870 801869372 /nfs/dbraw/zinc/86/93/72/801869372.db2.gz LGGZWZQFPLMWPC-QMMMGPOBSA-N 2 0 254.725 0.168 20 30 CCEDRP C#CC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160912618 802046292 /nfs/dbraw/zinc/04/62/92/802046292.db2.gz KRKDUYXRFWGBLH-UKRRQHHQSA-N 2 0 261.369 0.057 20 30 CCEDRP N#CCc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc[nH+]1 ZINC001163159236 802498518 /nfs/dbraw/zinc/49/85/18/802498518.db2.gz YSZWDFOETLRNIK-FZMZJTMJSA-N 2 0 258.325 0.217 20 30 CCEDRP N#CCc1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC001163325228 802534296 /nfs/dbraw/zinc/53/42/96/802534296.db2.gz ARGXTHXXOGNBCV-LSDHHAIUSA-N 2 0 272.352 0.893 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203455552 803027396 /nfs/dbraw/zinc/02/73/96/803027396.db2.gz GAAALMHUCSNHQH-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550723 803418346 /nfs/dbraw/zinc/41/83/46/803418346.db2.gz GZALHDSULAKYJQ-YUELXQCFSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207757753 803447251 /nfs/dbraw/zinc/44/72/51/803447251.db2.gz KVLZTUJEDIAROE-CHWSQXEVSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070290 803485700 /nfs/dbraw/zinc/48/57/00/803485700.db2.gz IPJDUTYSISTCJQ-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001276596245 803551390 /nfs/dbraw/zinc/55/13/90/803551390.db2.gz WZXSFVXCHTVJHM-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209276723 803586635 /nfs/dbraw/zinc/58/66/35/803586635.db2.gz CBFGBOGZXSRHCN-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001211276609 803675305 /nfs/dbraw/zinc/67/53/05/803675305.db2.gz IFBZZFQEZPSMTH-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211282813 803675729 /nfs/dbraw/zinc/67/57/29/803675729.db2.gz CMPAOHNGYKAGCD-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855878 803761493 /nfs/dbraw/zinc/76/14/93/803761493.db2.gz QCFVKGAKOVTJJB-BPLDGKMQSA-N 2 0 277.412 0.786 20 30 CCEDRP C[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CC([NH3+])C1 ZINC000402198831 803817817 /nfs/dbraw/zinc/81/78/17/803817817.db2.gz GJYUHIQTWXLVAW-JXQTWKCFSA-N 2 0 275.352 0.719 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216226183 803837076 /nfs/dbraw/zinc/83/70/76/803837076.db2.gz ONMYKFAOIIOHOH-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490787 803839902 /nfs/dbraw/zinc/83/99/02/803839902.db2.gz OWJOLMWPHZBGSJ-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218660047 804067811 /nfs/dbraw/zinc/06/78/11/804067811.db2.gz ZJJGKHDHZRWCEX-NSHDSACASA-N 2 0 261.329 0.657 20 30 CCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219107817 804202910 /nfs/dbraw/zinc/20/29/10/804202910.db2.gz UUNAMDOMKMKMPO-JTQLQIEISA-N 2 0 280.303 0.711 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804508 804425640 /nfs/dbraw/zinc/42/56/40/804425640.db2.gz YGRWSLLYWBSVKH-ILXRZTDVSA-N 2 0 295.427 0.454 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831312 804430332 /nfs/dbraw/zinc/43/03/32/804430332.db2.gz GAIZNMXNOGQJKX-KBXIAJHMSA-N 2 0 295.427 0.943 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220023316 804476533 /nfs/dbraw/zinc/47/65/33/804476533.db2.gz VFGQVCGRNKPSIG-HNNXBMFYSA-N 2 0 287.363 0.094 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H](C#N)CC1 ZINC001220094940 804497955 /nfs/dbraw/zinc/49/79/55/804497955.db2.gz NZHAAEBVDKKSDV-AVGNSLFASA-N 2 0 266.389 0.902 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276887 804558844 /nfs/dbraw/zinc/55/88/44/804558844.db2.gz MEFCBBZNKFIKIP-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297135 804565502 /nfs/dbraw/zinc/56/55/02/804565502.db2.gz MOKBTOMMPLOJSL-QLFBSQMISA-N 2 0 297.443 0.700 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCc1ccc(C#N)nc1 ZINC001221089185 804728784 /nfs/dbraw/zinc/72/87/84/804728784.db2.gz LHYGAYQTDQWXBD-AWEZNQCLSA-N 2 0 289.383 0.629 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246095797 807151493 /nfs/dbraw/zinc/15/14/93/807151493.db2.gz IGZFWTKGLHJCAN-CQSZACIVSA-N 2 0 256.353 0.742 20 30 CCEDRP [NH2+]=C(N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccc(Cl)cn1 ZINC001246216358 807190462 /nfs/dbraw/zinc/19/04/62/807190462.db2.gz YFOFAOHQWPCKQY-JTQLQIEISA-N 2 0 279.775 0.534 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001278437568 807194989 /nfs/dbraw/zinc/19/49/89/807194989.db2.gz FTLIIYKOKMDAEO-ZBFHGGJFSA-N 2 0 277.412 0.932 20 30 CCEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](F)(C[NH3+])CC2)CCN1 ZINC001246556976 807285786 /nfs/dbraw/zinc/28/57/86/807285786.db2.gz IWCMKTVPAGDZKT-XQQFMLRXSA-N 2 0 254.353 0.783 20 30 CCEDRP N#Cc1cc(F)cc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)c1 ZINC001247850125 807496428 /nfs/dbraw/zinc/49/64/28/807496428.db2.gz IFACCANWYOSMFS-UHFFFAOYSA-N 2 0 299.309 0.808 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001251881625 807732608 /nfs/dbraw/zinc/73/26/08/807732608.db2.gz YNNCOLTXZIRDBX-BZUAXINKSA-N 2 0 282.428 0.955 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001251891208 807737420 /nfs/dbraw/zinc/73/74/20/807737420.db2.gz OHLOQBUWWJHOEH-QGZVFWFLSA-N 2 0 290.407 0.891 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001251896535 807739623 /nfs/dbraw/zinc/73/96/23/807739623.db2.gz JWQGDEOVBDMYOA-ZDUSSCGKSA-N 2 0 273.336 0.706 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCc1c[nH]c2cc[nH+]cc12 ZINC001251896534 807740072 /nfs/dbraw/zinc/74/00/72/807740072.db2.gz JWQGDEOVBDMYOA-CYBMUJFWSA-N 2 0 273.336 0.706 20 30 CCEDRP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001278889555 808433689 /nfs/dbraw/zinc/43/36/89/808433689.db2.gz YJWTZNLYUVGFCC-CYBMUJFWSA-N 2 0 271.405 0.264 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261460199 808985021 /nfs/dbraw/zinc/98/50/21/808985021.db2.gz VLFQVXPDFHQHEA-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001262566734 809345272 /nfs/dbraw/zinc/34/52/72/809345272.db2.gz YUGZLLXDJAGUPR-AWEZNQCLSA-N 2 0 277.324 0.783 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030889 809696212 /nfs/dbraw/zinc/69/62/12/809696212.db2.gz NYFZHRUKDSUCDV-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001265230654 809727618 /nfs/dbraw/zinc/72/76/18/809727618.db2.gz JQKLLGQSBMZAIX-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001265301210 809752525 /nfs/dbraw/zinc/75/25/25/809752525.db2.gz GCEHXEFBAUOUCM-OAHLLOKOSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265470353 809786150 /nfs/dbraw/zinc/78/61/50/809786150.db2.gz FSMYYKXUPVRJOX-AVGNSLFASA-N 2 0 251.374 0.894 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001279403387 809977754 /nfs/dbraw/zinc/97/77/54/809977754.db2.gz NVHBJCBFCORIRU-GASCZTMLSA-N 2 0 277.412 0.742 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267281977 811089942 /nfs/dbraw/zinc/08/99/42/811089942.db2.gz NNVGZMGATZLDLW-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267307230 811127838 /nfs/dbraw/zinc/12/78/38/811127838.db2.gz OMRSXASEWWSOED-KBPBESRZSA-N 2 0 265.401 0.644 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077395968 815492216 /nfs/dbraw/zinc/49/22/16/815492216.db2.gz HKACGLMEOVPWDA-HUUCEWRRSA-N 2 0 298.346 0.133 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886846 812119321 /nfs/dbraw/zinc/11/93/21/812119321.db2.gz YPKQAKBWELMILV-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001028098445 812276080 /nfs/dbraw/zinc/27/60/80/812276080.db2.gz QPBSPYJIIHWGHP-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268541467 812782738 /nfs/dbraw/zinc/78/27/38/812782738.db2.gz FBEXQEGVDSCXOU-YOIVVXPQSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028550489 812829353 /nfs/dbraw/zinc/82/93/53/812829353.db2.gz PUMOQYVYUGXABN-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549596 812829674 /nfs/dbraw/zinc/82/96/74/812829674.db2.gz RZGPVXWXWAGQGL-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001268647796 812977531 /nfs/dbraw/zinc/97/75/31/812977531.db2.gz HXCLIMBZWWJMMR-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001268950431 813154699 /nfs/dbraw/zinc/15/46/99/813154699.db2.gz YQAYFLPOSGJJAS-UHFFFAOYSA-N 2 0 251.374 0.544 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001269745183 813487816 /nfs/dbraw/zinc/48/78/16/813487816.db2.gz MNHVSJBLOKSHCQ-MRXNPFEDSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001270436293 813763805 /nfs/dbraw/zinc/76/38/05/813763805.db2.gz MKAIWFVIKPXFDD-OLZOCXBDSA-N 2 0 274.368 0.421 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270624151 813847136 /nfs/dbraw/zinc/84/71/36/813847136.db2.gz OHHNGWSHYWVUEP-HNNXBMFYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271206788 814333461 /nfs/dbraw/zinc/33/34/61/814333461.db2.gz HTPDEDCSLSGZFD-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199491 814444040 /nfs/dbraw/zinc/44/40/40/814444040.db2.gz QFMIYPXIPUKLCN-KFWWJZLASA-N 2 0 275.396 0.352 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200905 814445452 /nfs/dbraw/zinc/44/54/52/814445452.db2.gz ATZMZQSTFSOPLA-CVEARBPZSA-N 2 0 289.423 0.886 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271996230 814670712 /nfs/dbraw/zinc/67/07/12/814670712.db2.gz JWDCGQDOMGLWJL-HOCLYGCPSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001272301552 816285754 /nfs/dbraw/zinc/28/57/54/816285754.db2.gz JXALWHBIGFKUJK-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCCN1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001030825832 816321792 /nfs/dbraw/zinc/32/17/92/816321792.db2.gz QCOXCKPIONSOEM-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001272425458 816415135 /nfs/dbraw/zinc/41/51/35/816415135.db2.gz MHKOTICYSSXLHQ-MELADBBJSA-N 2 0 283.416 0.360 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001272513987 816538880 /nfs/dbraw/zinc/53/88/80/816538880.db2.gz RUKNVZOAFXVJHD-AWEZNQCLSA-N 2 0 283.416 0.361 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127352308 816804918 /nfs/dbraw/zinc/80/49/18/816804918.db2.gz TXGPEXFWEOLAQC-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106663108 816842873 /nfs/dbraw/zinc/84/28/73/816842873.db2.gz RQCAQCJWGWYWQB-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009028 817643855 /nfs/dbraw/zinc/64/38/55/817643855.db2.gz IDGPGRPQWQYDJB-RBSFLKMASA-N 2 0 293.411 0.024 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718256 818041234 /nfs/dbraw/zinc/04/12/34/818041234.db2.gz MZZVKWOJTFIGSI-LSDHHAIUSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078813250 818055826 /nfs/dbraw/zinc/05/58/26/818055826.db2.gz XZSWZXDIPBENEM-KGLIPLIRSA-N 2 0 275.396 0.732 20 30 CCEDRP Cc1cc(C#N)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735108 818533348 /nfs/dbraw/zinc/53/33/48/818533348.db2.gz INJPKDGJWCMSHB-UHFFFAOYSA-N 2 0 259.317 0.251 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391298 818758420 /nfs/dbraw/zinc/75/84/20/818758420.db2.gz QZFOIWSNHJNLGJ-CQSZACIVSA-N 2 0 263.385 0.494 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526365 819228139 /nfs/dbraw/zinc/22/81/39/819228139.db2.gz XMMWGDNZAMLSFA-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCC1 ZINC001273180538 820081413 /nfs/dbraw/zinc/08/14/13/820081413.db2.gz RMZUTCVEVYFMDH-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705451 821025092 /nfs/dbraw/zinc/02/50/92/821025092.db2.gz DUUOAYGIIISKND-CBBWQLFWSA-N 2 0 277.412 0.786 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393965 821093954 /nfs/dbraw/zinc/09/39/54/821093954.db2.gz SAQPKYOLOLIINC-KBPBESRZSA-N 2 0 293.411 0.352 20 30 CCEDRP CC[C@H](C(=O)NCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001166439035 821099247 /nfs/dbraw/zinc/09/92/47/821099247.db2.gz AAFUKTFRRYIYHM-OAHLLOKOSA-N 2 0 297.443 0.853 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775935 821388439 /nfs/dbraw/zinc/38/84/39/821388439.db2.gz ZLWWAXJJCCYTSP-ARFHVFGLSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085032346 821467269 /nfs/dbraw/zinc/46/72/69/821467269.db2.gz CGCKUGGHRSZFKT-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086088005 822108867 /nfs/dbraw/zinc/10/88/67/822108867.db2.gz ZTGVXUOHOPLJTN-VHDGCEQUSA-N 2 0 277.412 0.999 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086119407 822118828 /nfs/dbraw/zinc/11/88/28/822118828.db2.gz LWSNKORKJYZHJB-GASCZTMLSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001086402314 822239464 /nfs/dbraw/zinc/23/94/64/822239464.db2.gz PMYIJTILSVUAFJ-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183782023 844094145 /nfs/dbraw/zinc/09/41/45/844094145.db2.gz DHIHWZLLXHIXAY-CQSZACIVSA-N 2 0 286.379 0.732 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756587 836521841 /nfs/dbraw/zinc/52/18/41/836521841.db2.gz OEAKIKOGMJYMRG-MJBXVCDLSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086534010 836760029 /nfs/dbraw/zinc/76/00/29/836760029.db2.gz LHXORNLQENSOIB-JOCQHMNTSA-N 2 0 263.385 0.753 20 30 CCEDRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc[nH+]c(CC#N)c2)O1 ZINC001170282002 837291221 /nfs/dbraw/zinc/29/12/21/837291221.db2.gz JCKOHDWLYOOZTF-KFWWJZLASA-N 2 0 290.367 0.706 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710745 837898412 /nfs/dbraw/zinc/89/84/12/837898412.db2.gz CPAPGRHSSRANFB-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130709157 837899029 /nfs/dbraw/zinc/89/90/29/837899029.db2.gz VTMFMOHHOLYOSY-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131841016 838240652 /nfs/dbraw/zinc/24/06/52/838240652.db2.gz YPKIWNDEGWOTJX-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245778 838582003 /nfs/dbraw/zinc/58/20/03/838582003.db2.gz KTSSEMMVNFZVAW-CABCVRRESA-N 2 0 295.427 0.272 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102865 839162449 /nfs/dbraw/zinc/16/24/49/839162449.db2.gz PMILORVGOXYNRL-HUUCEWRRSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185504444 844426339 /nfs/dbraw/zinc/42/63/39/844426339.db2.gz VVLADAHYNPNVJA-LSDHHAIUSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804190 839422929 /nfs/dbraw/zinc/42/29/29/839422929.db2.gz GBTSAXFCSROQOI-UONOGXRCSA-N 2 0 295.427 0.603 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882673 839455636 /nfs/dbraw/zinc/45/56/36/839455636.db2.gz QXKJJEQLYVABPM-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923041 839471982 /nfs/dbraw/zinc/47/19/82/839471982.db2.gz GIKZBSICHKWASG-CHWSQXEVSA-N 2 0 269.389 0.071 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135957154 839481604 /nfs/dbraw/zinc/48/16/04/839481604.db2.gz YKEAJDDHKOZMNX-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650899 844441940 /nfs/dbraw/zinc/44/19/40/844441940.db2.gz QGAHLMULEKVJQG-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731657 839759620 /nfs/dbraw/zinc/75/96/20/839759620.db2.gz UMSBXRKGLFCZMD-UONOGXRCSA-N 2 0 293.411 0.210 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879753 840324582 /nfs/dbraw/zinc/32/45/82/840324582.db2.gz OYOCCXMHKAKXAC-GJZGRUSLSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147823217 840691906 /nfs/dbraw/zinc/69/19/06/840691906.db2.gz CADBFNAFCJZCKP-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611230 841047992 /nfs/dbraw/zinc/04/79/92/841047992.db2.gz NUJZRSNXHRNLRO-FVQBIDKESA-N 2 0 289.423 0.646 20 30 CCEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC#CCOC ZINC001171725189 841753271 /nfs/dbraw/zinc/75/32/71/841753271.db2.gz HQOSGBRZEYAUFJ-UHFFFAOYSA-N 2 0 283.416 0.464 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176855530 842448268 /nfs/dbraw/zinc/44/82/68/842448268.db2.gz BJPHEXUTTJJKTK-OKILXGFUSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCOC)CC1 ZINC001176926226 842452371 /nfs/dbraw/zinc/45/23/71/842452371.db2.gz JWFKKUCBRLYSPC-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538643 843018092 /nfs/dbraw/zinc/01/80/92/843018092.db2.gz FDGSNOUKLXLXQS-ILXRZTDVSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181672689 843573651 /nfs/dbraw/zinc/57/36/51/843573651.db2.gz AVTRQNSESQOZIN-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182624130 843867639 /nfs/dbraw/zinc/86/76/39/843867639.db2.gz ZOYFQKNRMCOKHU-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001187982541 844813349 /nfs/dbraw/zinc/81/33/49/844813349.db2.gz MGECOVWVEXTYMD-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190666923 845447314 /nfs/dbraw/zinc/44/73/14/845447314.db2.gz PTWRLMBEIZIJIQ-CABCVRRESA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192005601 845770192 /nfs/dbraw/zinc/77/01/92/845770192.db2.gz CCIRDIWKAGYHPY-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169575 845796733 /nfs/dbraw/zinc/79/67/33/845796733.db2.gz AJFWXZRLGAQVRA-AWEZNQCLSA-N 2 0 283.416 0.673 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnccc1C#N ZINC001192984139 845945463 /nfs/dbraw/zinc/94/54/63/845945463.db2.gz TYAMOABSRJBOOD-UHFFFAOYSA-N 2 0 288.355 0.631 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194154690 846224205 /nfs/dbraw/zinc/22/42/05/846224205.db2.gz MRLPKLLLUNPGCN-GJZGRUSLSA-N 2 0 293.411 0.263 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676766 846596581 /nfs/dbraw/zinc/59/65/81/846596581.db2.gz KBDBFRYOUWVORV-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237763 846615771 /nfs/dbraw/zinc/61/57/71/846615771.db2.gz UBNXDFJGVYNOPE-UHFFFAOYSA-N 2 0 259.353 0.701 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195981052 846656439 /nfs/dbraw/zinc/65/64/39/846656439.db2.gz MOKBTOMMPLOJSL-RBSFLKMASA-N 2 0 297.443 0.700 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058049 846835210 /nfs/dbraw/zinc/83/52/10/846835210.db2.gz LPSPUFNAMVORIR-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCOC2)CC1 ZINC001152330816 846893946 /nfs/dbraw/zinc/89/39/46/846893946.db2.gz WCWHBOCAQREJNX-AWEZNQCLSA-N 2 0 293.411 0.074 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312357 846956860 /nfs/dbraw/zinc/95/68/60/846956860.db2.gz SIKJXOQLEXBOBP-ZIAGYGMSSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788467 847432968 /nfs/dbraw/zinc/43/29/68/847432968.db2.gz QWVNUPWIFBRQBN-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200122094 847552224 /nfs/dbraw/zinc/55/22/24/847552224.db2.gz BFLWFEMVNQBUSY-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252616105 848038672 /nfs/dbraw/zinc/03/86/72/848038672.db2.gz KCOLFSFMFDYSQD-HNNXBMFYSA-N 2 0 269.433 0.929 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252614864 848039365 /nfs/dbraw/zinc/03/93/65/848039365.db2.gz QKWFUQNAFGEGSV-AWEZNQCLSA-N 2 0 269.433 0.929 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413892 848052818 /nfs/dbraw/zinc/05/28/18/848052818.db2.gz IMHWKDHFJHWFOQ-FOLVSLTJSA-N 2 0 275.396 0.540 20 30 CCEDRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CCC#N)C2)C1=O ZINC001274031395 848312656 /nfs/dbraw/zinc/31/26/56/848312656.db2.gz PILHNTOYZHDHEO-CQSZACIVSA-N 2 0 264.373 0.386 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001274105175 848350061 /nfs/dbraw/zinc/35/00/61/848350061.db2.gz HEFBKANZQJNDJN-ZRUQZJFASA-N 2 0 263.385 0.756 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001274296727 848442058 /nfs/dbraw/zinc/44/20/58/848442058.db2.gz FUWHMPWRTDSEKD-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001274528924 848496063 /nfs/dbraw/zinc/49/60/63/848496063.db2.gz ROTRQRXQPHSUHZ-UHFFFAOYSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274741098 848557835 /nfs/dbraw/zinc/55/78/35/848557835.db2.gz KUZGUHKLZVOEOK-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275286157 848685526 /nfs/dbraw/zinc/68/55/26/848685526.db2.gz MZWNUAOWLLTUKP-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001275742141 848806289 /nfs/dbraw/zinc/80/62/89/848806289.db2.gz ULCQVIZXRUVQCL-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959481 849033427 /nfs/dbraw/zinc/03/34/27/849033427.db2.gz MYWKSFWOXPHAGH-MCIONIFRSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314996 850614089 /nfs/dbraw/zinc/61/40/89/850614089.db2.gz YBQJVTGUSNRZOA-GJZGRUSLSA-N 2 0 287.407 0.638 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC)C2)CC1 ZINC001046849198 851629964 /nfs/dbraw/zinc/62/99/64/851629964.db2.gz CHRVYHPHYCFIAD-INIZCTEOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849208 851630853 /nfs/dbraw/zinc/63/08/53/851630853.db2.gz CKLMPGOXOCYPHQ-KRWDZBQOSA-N 2 0 287.407 0.545 20 30 CCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047528618 851805331 /nfs/dbraw/zinc/80/53/31/851805331.db2.gz URNOUOPHOJNMGY-ILXRZTDVSA-N 2 0 295.427 0.550 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740109 852042587 /nfs/dbraw/zinc/04/25/87/852042587.db2.gz RYNPLFBXGIFXCG-QLFBSQMISA-N 2 0 293.411 0.283 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049067205 852155396 /nfs/dbraw/zinc/15/53/96/852155396.db2.gz SBEZNZLTQHEPCJ-ZNMIVQPWSA-N 2 0 277.412 0.740 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001049369481 852243791 /nfs/dbraw/zinc/24/37/91/852243791.db2.gz OXMQSTRJAKQSBK-ZNMIVQPWSA-N 2 0 275.396 0.779 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001049994684 852417608 /nfs/dbraw/zinc/41/76/08/852417608.db2.gz VDUFBEQYPQNPPG-RRFJBIMHSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545907 853395361 /nfs/dbraw/zinc/39/53/61/853395361.db2.gz HYTFDZLFDSCMHR-OAHLLOKOSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001099029794 854908241 /nfs/dbraw/zinc/90/82/41/854908241.db2.gz MSLYKGPGUPKDTI-VYDXJSESSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100047834 855084386 /nfs/dbraw/zinc/08/43/86/855084386.db2.gz BMXJCWMLCKQHDU-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048171 855084692 /nfs/dbraw/zinc/08/46/92/855084692.db2.gz GYBDKSNMKFKQGV-STQMWFEESA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100126822 855103832 /nfs/dbraw/zinc/10/38/32/855103832.db2.gz NMGKQIRLZXQBBG-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001118507324 856323290 /nfs/dbraw/zinc/32/32/90/856323290.db2.gz WNHMPNCGSIBABK-HNNXBMFYSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120129635 856992532 /nfs/dbraw/zinc/99/25/32/856992532.db2.gz LHYJCHHNMCOLTB-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001323524263 912392919 /nfs/dbraw/zinc/39/29/19/912392919.db2.gz CDCSYIBAPYEQJN-UHFFFAOYSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001481318112 892572612 /nfs/dbraw/zinc/57/26/12/892572612.db2.gz SBUPNUVWWROKGA-OKILXGFUSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738674 893105825 /nfs/dbraw/zinc/10/58/25/893105825.db2.gz NVLATPWCENVPAA-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001481749977 893113197 /nfs/dbraw/zinc/11/31/97/893113197.db2.gz YIZPPGWZAQQESF-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482137209 893431161 /nfs/dbraw/zinc/43/11/61/893431161.db2.gz UZEQKLVIANDQRT-RDBSUJKOSA-N 2 0 265.401 0.692 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001326149561 913774013 /nfs/dbraw/zinc/77/40/13/913774013.db2.gz YHXUSBKVWAERLF-HNNXBMFYSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482284317 893770844 /nfs/dbraw/zinc/77/08/44/893770844.db2.gz MUTLUGBWMGSLGS-UONOGXRCSA-N 2 0 265.401 0.929 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482284355 893771674 /nfs/dbraw/zinc/77/16/74/893771674.db2.gz WUVHRWFOMNRGAI-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001326293604 913873165 /nfs/dbraw/zinc/87/31/65/913873165.db2.gz UNGPNXOFZJBIPK-GFCCVEGCSA-N 2 0 273.340 0.687 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001482697958 894495078 /nfs/dbraw/zinc/49/50/78/894495078.db2.gz NFRZLHZFDDXPJI-LSDHHAIUSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001482744695 894560927 /nfs/dbraw/zinc/56/09/27/894560927.db2.gz AKFTXFUADPRSFS-KGLIPLIRSA-N 2 0 283.416 0.360 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001483175980 895060997 /nfs/dbraw/zinc/06/09/97/895060997.db2.gz YFXQKPWZXKJQNT-QWHCGFSZSA-N 2 0 292.383 0.332 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484377843 896367078 /nfs/dbraw/zinc/36/70/78/896367078.db2.gz SZDCRAGKKIOXKP-KBPBESRZSA-N 2 0 265.401 0.646 20 30 CCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001484482009 896433092 /nfs/dbraw/zinc/43/30/92/896433092.db2.gz DHMRFZNMUYNDIN-OAHLLOKOSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001484485975 896440380 /nfs/dbraw/zinc/44/03/80/896440380.db2.gz CXUGUEBBXKVTFX-UHFFFAOYSA-N 2 0 281.400 0.211 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001484681799 896539339 /nfs/dbraw/zinc/53/93/39/896539339.db2.gz ZLNKHYWZZLTMIL-QWHCGFSZSA-N 2 0 269.389 0.330 20 30 CCEDRP CC#CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001484867908 896645006 /nfs/dbraw/zinc/64/50/06/896645006.db2.gz TZRCIWDQMUCSTC-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@@H]1C[NH3+] ZINC001523030450 896724424 /nfs/dbraw/zinc/72/44/24/896724424.db2.gz VXGNRGHGCMGURH-UPJWGTAASA-N 2 0 266.389 0.841 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485372317 897015815 /nfs/dbraw/zinc/01/58/15/897015815.db2.gz SZVAFCOFLKMLNY-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001485650620 897161480 /nfs/dbraw/zinc/16/14/80/897161480.db2.gz XXSLOVZYNKTOSN-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001485703129 897195266 /nfs/dbraw/zinc/19/52/66/897195266.db2.gz QFSORNNLWNVYIO-HDJSIYSDSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001326760674 914146624 /nfs/dbraw/zinc/14/66/24/914146624.db2.gz IEMAKLDZXSEIAB-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032400597 897449966 /nfs/dbraw/zinc/44/99/66/897449966.db2.gz OGAFAAMYWTUINS-SOUVJXGZSA-N 2 0 275.396 0.778 20 30 CCEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001032410260 897493402 /nfs/dbraw/zinc/49/34/02/897493402.db2.gz ALZJKNGNEQTRPS-ZOBORPQBSA-N 2 0 263.385 0.798 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485929815 898519388 /nfs/dbraw/zinc/51/93/88/898519388.db2.gz FQWNRYQMNWYDLK-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001486094943 898652363 /nfs/dbraw/zinc/65/23/63/898652363.db2.gz FMIQCPBOYWAJRJ-KGLIPLIRSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486388978 898850161 /nfs/dbraw/zinc/85/01/61/898850161.db2.gz HBYPGFLUZCDJBX-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001327020965 914318956 /nfs/dbraw/zinc/31/89/56/914318956.db2.gz RWPCGWOHRMHYPU-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390204 900010892 /nfs/dbraw/zinc/01/08/92/900010892.db2.gz PBTKPHQBTWBEGL-LSDHHAIUSA-N 2 0 293.411 0.263 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390203 900011070 /nfs/dbraw/zinc/01/10/70/900011070.db2.gz PBTKPHQBTWBEGL-HUUCEWRRSA-N 2 0 293.411 0.263 20 30 CCEDRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001327663018 902243435 /nfs/dbraw/zinc/24/34/35/902243435.db2.gz ROWBJDALVGCDSC-NSHDSACASA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001327660521 914685990 /nfs/dbraw/zinc/68/59/90/914685990.db2.gz AQPXKSVVIBOYCL-NWDGAFQWSA-N 2 0 252.362 0.513 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001327660522 914687281 /nfs/dbraw/zinc/68/72/81/914687281.db2.gz AQPXKSVVIBOYCL-RYUDHWBXSA-N 2 0 252.362 0.513 20 30 CCEDRP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001491370726 903512542 /nfs/dbraw/zinc/51/25/42/903512542.db2.gz XVWJLFREEPYWKO-NFOMZHRRSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316617499 904420802 /nfs/dbraw/zinc/42/08/02/904420802.db2.gz JMSLOEMXBYKWPV-QLFBSQMISA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001283897433 905076953 /nfs/dbraw/zinc/07/69/53/905076953.db2.gz DJXZAVONONOFKZ-OLZOCXBDSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001491675933 907530505 /nfs/dbraw/zinc/53/05/05/907530505.db2.gz XTQCFWCCDAGEQD-STQMWFEESA-N 2 0 269.389 0.235 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491764087 907554422 /nfs/dbraw/zinc/55/44/22/907554422.db2.gz GVMRTBOCWMOALS-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001491845899 907605046 /nfs/dbraw/zinc/60/50/46/907605046.db2.gz QCPQSOBXPAUSOU-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001491849603 907605577 /nfs/dbraw/zinc/60/55/77/907605577.db2.gz JACPREOIKFRBAM-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001492291318 907856402 /nfs/dbraw/zinc/85/64/02/907856402.db2.gz LKDAZLKBBPLMGV-ZDUSSCGKSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317030271 908931849 /nfs/dbraw/zinc/93/18/49/908931849.db2.gz MPIHYPAOHHFBMW-AWEZNQCLSA-N 2 0 275.396 0.590 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001317031881 908932330 /nfs/dbraw/zinc/93/23/30/908932330.db2.gz ZSOGCXBFPSULJZ-QWHCGFSZSA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317332429 909146236 /nfs/dbraw/zinc/14/62/36/909146236.db2.gz BWHHACSCDOIGQP-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317343449 909152228 /nfs/dbraw/zinc/15/22/28/909152228.db2.gz KYJNOFBMHVWGNU-UONOGXRCSA-N 2 0 265.401 0.644 20 30 CCEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319167342 910016577 /nfs/dbraw/zinc/01/65/77/910016577.db2.gz KUBHFVUYJMNMFK-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319819926 910308476 /nfs/dbraw/zinc/30/84/76/910308476.db2.gz MJOBDUMEIYQZOY-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)[NH+](C)C ZINC001320463066 910685919 /nfs/dbraw/zinc/68/59/19/910685919.db2.gz DSUFMJOSSGRFKB-UONOGXRCSA-N 2 0 283.416 0.461 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320770151 910858279 /nfs/dbraw/zinc/85/82/79/910858279.db2.gz WCLNLXWHRMQVJY-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321057792 911056565 /nfs/dbraw/zinc/05/65/65/911056565.db2.gz SLSQNCGTDBNSRN-GJBLVYBDSA-N 2 0 263.385 0.754 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341845823 922691974 /nfs/dbraw/zinc/69/19/74/922691974.db2.gz SPUXYLYXXOTCQR-NEPJUHHUSA-N 2 0 255.362 0.246 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001330423535 916624882 /nfs/dbraw/zinc/62/48/82/916624882.db2.gz AJWODESCIWCYOW-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001330938454 916979456 /nfs/dbraw/zinc/97/94/56/916979456.db2.gz UVOKUTZALXTYPB-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)CCC ZINC001331611512 917450381 /nfs/dbraw/zinc/45/03/81/917450381.db2.gz JCHPDYZCIWIJKV-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001331740104 917562073 /nfs/dbraw/zinc/56/20/73/917562073.db2.gz NYPKLWNJEWSTKK-CHWSQXEVSA-N 2 0 269.389 0.114 20 30 CCEDRP CC1(NC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]CC1 ZINC001332928565 918538875 /nfs/dbraw/zinc/53/88/75/918538875.db2.gz KMWUYJFTGZPUTD-LLVKDONJSA-N 2 0 252.362 0.656 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001335443007 920197179 /nfs/dbraw/zinc/19/71/79/920197179.db2.gz FAOFHULUKSSJJN-UKRRQHHQSA-N 2 0 292.427 0.982 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001336894415 921088149 /nfs/dbraw/zinc/08/81/49/921088149.db2.gz PVOIXLMLKXNBOD-ZIAGYGMSSA-N 2 0 280.416 0.568 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001340879080 922253778 /nfs/dbraw/zinc/25/37/78/922253778.db2.gz BVKKPKRDFAVQPC-UHFFFAOYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH+]1C ZINC001340923612 922279634 /nfs/dbraw/zinc/27/96/34/922279634.db2.gz ROPZVYPMMLHLPJ-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001341556090 922551171 /nfs/dbraw/zinc/55/11/71/922551171.db2.gz SYCBDLVBBOSWAA-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2CC([NH2+]C)C2)CC1 ZINC001341694663 922630582 /nfs/dbraw/zinc/63/05/82/922630582.db2.gz BCYYUWUONLVNKC-UHFFFAOYSA-N 2 0 251.374 0.751 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001341697889 922633263 /nfs/dbraw/zinc/63/32/63/922633263.db2.gz VKNVROGAMIIZLQ-SOUVJXGZSA-N 2 0 295.427 0.728 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001342082793 922795322 /nfs/dbraw/zinc/79/53/22/922795322.db2.gz QWSXGTGFDPHQHF-CHWSQXEVSA-N 2 0 266.389 0.904 20 30 CCEDRP C#CCNCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC001342129362 922820603 /nfs/dbraw/zinc/82/06/03/922820603.db2.gz HDXWXWYKUWTBFS-AWEZNQCLSA-N 2 0 273.336 0.509 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC001343423499 923310686 /nfs/dbraw/zinc/31/06/86/923310686.db2.gz KKNBQSRHRQUJKS-GFCCVEGCSA-N 2 0 283.372 0.034 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H](C[NH+](C)C)OCC)CCC[NH2+]1 ZINC001354944286 926186070 /nfs/dbraw/zinc/18/60/70/926186070.db2.gz SYADUIPYGGQLHB-HIFRSBDPSA-N 2 0 283.416 0.768 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001356473377 926389691 /nfs/dbraw/zinc/38/96/91/926389691.db2.gz SEQYAEJAGRUOCU-GHMZBOCLSA-N 2 0 250.346 0.266 20 30 CCEDRP COc1ccc(OC)c([C@@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001356595433 926407929 /nfs/dbraw/zinc/40/79/29/926407929.db2.gz JGUALLINIYUYTC-HNNXBMFYSA-N 2 0 292.379 0.892 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001357660132 926577554 /nfs/dbraw/zinc/57/75/54/926577554.db2.gz MCSNMFMAVLZFLR-RYUDHWBXSA-N 2 0 284.429 0.609 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001422412681 927268207 /nfs/dbraw/zinc/26/82/07/927268207.db2.gz VCPOBTJIIJMPLR-NEPJUHHUSA-N 2 0 291.823 0.392 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC001448874523 931014954 /nfs/dbraw/zinc/01/49/54/931014954.db2.gz RIXQEVUIYWFWLD-HIFRSBDPSA-N 2 0 283.416 0.408 20 30 CCEDRP N#CCN1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600719623 362045175 /nfs/dbraw/zinc/04/51/75/362045175.db2.gz CUBAPBLVOXCQSZ-AWEZNQCLSA-N 2 0 266.389 0.021 20 30 CCEDRP N#Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000600769314 362058876 /nfs/dbraw/zinc/05/88/76/362058876.db2.gz MARVJXWRNUVKLN-LBPRGKRZSA-N 2 0 260.341 0.631 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601555178 362310178 /nfs/dbraw/zinc/31/01/78/362310178.db2.gz WSNXVPSJTXZBAW-AGIUHOORSA-N 2 0 264.373 0.608 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C[NH+]2CCC1CC2 ZINC000602592666 362697927 /nfs/dbraw/zinc/69/79/27/362697927.db2.gz JRRCGUXINCXRTN-KBPBESRZSA-N 2 0 278.400 0.950 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000602595692 362701158 /nfs/dbraw/zinc/70/11/58/362701158.db2.gz WXMRKHFUOXKLRP-IJLUTSLNSA-N 2 0 252.362 0.451 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570760 359896216 /nfs/dbraw/zinc/89/62/16/359896216.db2.gz QNVYQLIFCQJGJP-NWDGAFQWSA-N 2 0 264.373 0.798 20 30 CCEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[NH3+])CC2)c1 ZINC000593918701 360215015 /nfs/dbraw/zinc/21/50/15/360215015.db2.gz GDSHOEVMYJQVSQ-UHFFFAOYSA-N 2 0 286.379 0.988 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437794 360306198 /nfs/dbraw/zinc/30/61/98/360306198.db2.gz FMYSXCZJDIPZAN-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594440576 360310219 /nfs/dbraw/zinc/31/02/19/360310219.db2.gz FUGBOTPKDJFLAC-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP COC[C@]1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCC[NH2+]1 ZINC000594443689 360311238 /nfs/dbraw/zinc/31/12/38/360311238.db2.gz HVHPOVHRMKNDBP-GXTWGEPZSA-N 2 0 282.388 0.282 20 30 CCEDRP C=CCCCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000656153723 412753698 /nfs/dbraw/zinc/75/36/98/412753698.db2.gz KZANHVHGJXSKGK-OAHLLOKOSA-N 2 0 269.433 0.931 20 30 CCEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000338970033 389119240 /nfs/dbraw/zinc/11/92/40/389119240.db2.gz MKNAWYDXYZLPES-KGLIPLIRSA-N 2 0 251.374 0.973 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134550588 389246836 /nfs/dbraw/zinc/24/68/36/389246836.db2.gz XJEOHEQRLBOQAL-UHFFFAOYSA-N 2 0 265.361 0.398 20 30 CCEDRP OC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CO)C2)C1 ZINC000351606152 389631385 /nfs/dbraw/zinc/63/13/85/389631385.db2.gz AYJXTFFGZXWIEV-HOTGVXAUSA-N 2 0 280.412 0.398 20 30 CCEDRP C[C@H](O)CC[NH+](C)CC#CC[N@@H+](C)CC[C@H](C)O ZINC000351440006 389582982 /nfs/dbraw/zinc/58/29/82/389582982.db2.gz ZZQUTJRRFPOEHI-KBPBESRZSA-N 2 0 256.390 0.395 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000491461375 390113696 /nfs/dbraw/zinc/11/36/96/390113696.db2.gz DHQUPTJSXPSAKV-UHFFFAOYSA-N 2 0 292.427 0.679 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000491682582 390115966 /nfs/dbraw/zinc/11/59/66/390115966.db2.gz SPPVXKXHNGYDBZ-MRXNPFEDSA-N 2 0 292.427 0.679 20 30 CCEDRP C=CCOCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106694 390599806 /nfs/dbraw/zinc/59/98/06/390599806.db2.gz MCYCUVKOPBRAED-UHFFFAOYSA-N 2 0 254.374 0.986 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659450073 413509347 /nfs/dbraw/zinc/50/93/47/413509347.db2.gz GJYQYSYUYYAKOB-LLVKDONJSA-N 2 0 254.378 0.544 20 30 CCEDRP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCN(C)CC1 ZINC000662078666 414689824 /nfs/dbraw/zinc/68/98/24/414689824.db2.gz FLBZAVUTZAUWDV-OKILXGFUSA-N 2 0 263.385 0.943 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)CCCOC)CCC[NH2+]1 ZINC000662742951 414751220 /nfs/dbraw/zinc/75/12/20/414751220.db2.gz JCWOBEGKJYPMAE-HNNXBMFYSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754803 414762261 /nfs/dbraw/zinc/76/22/61/414762261.db2.gz ANYBZDQNACRLQO-ZBFHGGJFSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CCC[NH2+]1 ZINC000662415091 414716142 /nfs/dbraw/zinc/71/61/42/414716142.db2.gz ABFOCWHDSULWMU-SCRDCRAPSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)CCOC)CCC[NH2+]1 ZINC000662702654 414743735 /nfs/dbraw/zinc/74/37/35/414743735.db2.gz BMZXGXALCIMFLL-CQSZACIVSA-N 2 0 269.389 0.379 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000662785755 414792629 /nfs/dbraw/zinc/79/26/29/414792629.db2.gz ZSWYVUZRWZDVFR-CQSZACIVSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC([NH2+]CCOC)CC2)CCC[NH2+]1 ZINC000662826695 414819056 /nfs/dbraw/zinc/81/90/56/414819056.db2.gz BBLTZLXIJDWANI-MRXNPFEDSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC([NH2+]CCOC)CC2)CCC[NH2+]1 ZINC000662826694 414819804 /nfs/dbraw/zinc/81/98/04/414819804.db2.gz BBLTZLXIJDWANI-INIZCTEOSA-N 2 0 295.427 0.912 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)NC1CC[NH+](C(C)C)CC1 ZINC000114090085 260670747 /nfs/dbraw/zinc/67/07/47/260670747.db2.gz AIGWYGYPMZFJNZ-UHFFFAOYSA-N 2 0 292.431 0.958 20 30 CCEDRP CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000330501192 263962005 /nfs/dbraw/zinc/96/20/05/263962005.db2.gz TZEAKGYRIGIJDE-UHFFFAOYSA-N 2 0 284.404 0.700 20 30 CCEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000131877362 264384772 /nfs/dbraw/zinc/38/47/72/264384772.db2.gz OVXBLBNNKDYTOL-AWEZNQCLSA-N 3 0 293.459 0.896 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178768853 329200405 /nfs/dbraw/zinc/20/04/05/329200405.db2.gz RPFIMRCNYLIJKH-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390616 329763579 /nfs/dbraw/zinc/76/35/79/329763579.db2.gz ZLHPPZOCGOUKKB-QEJZJMRPSA-N 2 0 295.427 0.895 20 30 CCEDRP CN(C(=[NH2+])NCC1([NH+](C)C)CCOCC1)C1CC1 ZINC000262296054 330004880 /nfs/dbraw/zinc/00/48/80/330004880.db2.gz YNTHWATXKRCKHM-UHFFFAOYSA-N 2 0 254.378 0.506 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454126 330014260 /nfs/dbraw/zinc/01/42/60/330014260.db2.gz KMNBWLQLQIGYAH-OLZOCXBDSA-N 2 0 268.405 0.754 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCC1 ZINC000262548371 330020812 /nfs/dbraw/zinc/02/08/12/330020812.db2.gz WMOUGTFPXVVNHI-LLVKDONJSA-N 2 0 254.378 0.290 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC2=[NH+]CCN2C)C1 ZINC000262670727 330025706 /nfs/dbraw/zinc/02/57/06/330025706.db2.gz QVBJOJBAVPAFJY-GFCCVEGCSA-N 2 0 254.378 0.234 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262756863 330029763 /nfs/dbraw/zinc/02/97/63/330029763.db2.gz BVSOENHAVJKGIW-CQSZACIVSA-N 2 0 294.443 0.895 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NCC(C)(C)SC ZINC000262795257 330031962 /nfs/dbraw/zinc/03/19/62/330031962.db2.gz PJCLYHQVPPGLRH-LBPRGKRZSA-N 2 0 299.488 0.293 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424129636 330260260 /nfs/dbraw/zinc/26/02/60/330260260.db2.gz GJJPAGMKYKCLHH-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424137624 330275048 /nfs/dbraw/zinc/27/50/48/330275048.db2.gz SJAQXXKXJSKYNP-CHWSQXEVSA-N 2 0 266.389 0.808 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424153584 330300004 /nfs/dbraw/zinc/30/00/04/330300004.db2.gz KIZQNOWIOJWMTC-STQMWFEESA-N 2 0 264.373 0.703 20 30 CCEDRP CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000424162341 330307296 /nfs/dbraw/zinc/30/72/96/330307296.db2.gz WRBBOSSLODHUQD-GFCCVEGCSA-N 2 0 254.378 0.854 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](C)CC2)CC1 ZINC000490761210 332113267 /nfs/dbraw/zinc/11/32/67/332113267.db2.gz SIYANZXYVUGYMX-OAHLLOKOSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000491122273 332152707 /nfs/dbraw/zinc/15/27/07/332152707.db2.gz VCOULMQCCZRAAL-UHFFFAOYSA-N 2 0 294.443 0.084 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000491164710 332159254 /nfs/dbraw/zinc/15/92/54/332159254.db2.gz DVULORNRSYFMDK-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000491486135 332220668 /nfs/dbraw/zinc/22/06/68/332220668.db2.gz UJECJBSMFXCZJI-GFCCVEGCSA-N 2 0 254.378 0.239 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000491712920 332304141 /nfs/dbraw/zinc/30/41/41/332304141.db2.gz YFMQJICCFJKPAS-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000491813886 332365513 /nfs/dbraw/zinc/36/55/13/332365513.db2.gz LICSQUCRBUEGOI-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000576694674 335235561 /nfs/dbraw/zinc/23/55/61/335235561.db2.gz KYJDTBCAKQEQRC-ZDUSSCGKSA-N 2 0 251.374 0.753 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000581127436 336011858 /nfs/dbraw/zinc/01/18/58/336011858.db2.gz TZIGLSQWFGFKDP-NPJQDHAYSA-N 2 0 298.427 0.637 20 30 CCEDRP C=C(C)[C@H](CO)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000678719325 545397039 /nfs/dbraw/zinc/39/70/39/545397039.db2.gz GKPKIBHLYGFRKV-HNNXBMFYSA-N 2 0 269.433 0.881 20 30 CCEDRP C=CC[NH+]1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000729942083 581624996 /nfs/dbraw/zinc/62/49/96/581624996.db2.gz INZQDJBWUHLKHR-UHFFFAOYSA-N 2 0 270.446 0.663 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000747404121 581938945 /nfs/dbraw/zinc/93/89/45/581938945.db2.gz GKSWBNYSDWMGLU-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248628 612947639 /nfs/dbraw/zinc/94/76/39/612947639.db2.gz RJBFSBICQFWTBU-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000852360376 613076993 /nfs/dbraw/zinc/07/69/93/613076993.db2.gz XTWCIJXRAQCUEM-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP CC(C)[C@@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884034347 614118513 /nfs/dbraw/zinc/11/85/13/614118513.db2.gz CCNOGWQPDGAORX-BEVNXUHPSA-N 2 0 264.373 0.225 20 30 CCEDRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876532817 614118863 /nfs/dbraw/zinc/11/88/63/614118863.db2.gz BSCGAYYVOTXOIE-LSDHHAIUSA-N 2 0 286.379 0.845 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481411 613031159 /nfs/dbraw/zinc/03/11/59/613031159.db2.gz YNUJBDFSXPAXSI-CQSZACIVSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918621 613044072 /nfs/dbraw/zinc/04/40/72/613044072.db2.gz GIGOXBDKGVQATO-WCVJEAGWSA-N 2 0 287.407 0.398 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000838622815 613074174 /nfs/dbraw/zinc/07/41/74/613074174.db2.gz PAVYHNULTJUGDO-HNNXBMFYSA-N 2 0 290.411 0.597 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922630275 613076350 /nfs/dbraw/zinc/07/63/50/613076350.db2.gz OYRLISPIBVMYSA-CHWSQXEVSA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971566845 613093091 /nfs/dbraw/zinc/09/30/91/613093091.db2.gz KHKRGCGWWWMPIU-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000928655922 613136426 /nfs/dbraw/zinc/13/64/26/613136426.db2.gz DENGVRJKEWLWGE-AWEZNQCLSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000928653036 613136753 /nfs/dbraw/zinc/13/67/53/613136753.db2.gz WJDIIBNTQXTBAK-OAHLLOKOSA-N 2 0 275.396 0.827 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981813201 613141740 /nfs/dbraw/zinc/14/17/40/613141740.db2.gz HGMUFCYDFPKUSF-OAHLLOKOSA-N 2 0 289.423 0.884 20 30 CCEDRP C#C[C@](C)(CC)[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000852097331 613164496 /nfs/dbraw/zinc/16/44/96/613164496.db2.gz ONQYRBPUVOUKKS-OAHLLOKOSA-N 2 0 265.401 0.978 20 30 CCEDRP CNC(NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)=[NH+]C ZINC000864357978 613218719 /nfs/dbraw/zinc/21/87/19/613218719.db2.gz CHOKCLKISLWLFY-HNNXBMFYSA-N 2 0 290.411 0.991 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977924787 613308237 /nfs/dbraw/zinc/30/82/37/613308237.db2.gz WAQWZRSSSZNCMM-FQUUOJAGSA-N 2 0 261.369 0.008 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961787416 613313541 /nfs/dbraw/zinc/31/35/41/613313541.db2.gz KBZLGCURDILLOD-RMRHIDDWSA-N 2 0 261.369 0.008 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960582174 613315680 /nfs/dbraw/zinc/31/56/80/613315680.db2.gz SYCGRXDYFKGUFS-RFQIPJPRSA-N 2 0 261.369 0.150 20 30 CCEDRP C=C(C)[C@H](CO)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592891 613362341 /nfs/dbraw/zinc/36/23/41/613362341.db2.gz ACRCDEMKQPCPMX-HNNXBMFYSA-N 2 0 267.417 0.635 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000900648217 613363434 /nfs/dbraw/zinc/36/34/34/613363434.db2.gz XMLLKFBNEGVPQG-UHFFFAOYSA-N 2 0 296.459 0.590 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000912715414 613363621 /nfs/dbraw/zinc/36/36/21/613363621.db2.gz VXYSELVKUYLRSN-HNNXBMFYSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000876948065 613387692 /nfs/dbraw/zinc/38/76/92/613387692.db2.gz DSDJZBRUHSXBSC-GMTAPVOTSA-N 2 0 275.780 0.279 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876923465 613389517 /nfs/dbraw/zinc/38/95/17/613389517.db2.gz CFCCKFVIJNNNIQ-JQWIXIFHSA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000876843811 613389711 /nfs/dbraw/zinc/38/97/11/613389711.db2.gz XBNWEFJUXLLADC-GUBZILKMSA-N 2 0 263.744 0.615 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000876799661 613390099 /nfs/dbraw/zinc/39/00/99/613390099.db2.gz IZBPRNGLQLTCMI-CMPLNLGQSA-N 2 0 259.781 0.962 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961662188 613633261 /nfs/dbraw/zinc/63/32/61/613633261.db2.gz HHYAKPSIWIHDBG-FICVDOATSA-N 2 0 275.396 0.398 20 30 CCEDRP C=CCNC(=O)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879123082 613844887 /nfs/dbraw/zinc/84/48/87/613844887.db2.gz CLSDIIBZKKCNOU-UHFFFAOYSA-N 2 0 283.416 0.579 20 30 CCEDRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876532816 614227908 /nfs/dbraw/zinc/22/79/08/614227908.db2.gz BSCGAYYVOTXOIE-HUUCEWRRSA-N 2 0 286.379 0.845 20 30 CCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884036550 614286969 /nfs/dbraw/zinc/28/69/69/614286969.db2.gz YGPLXDPEAYKXBR-JANAKTCESA-N 2 0 278.400 0.615 20 30 CCEDRP CC(C)[NH+]1CCC(C(=O)NCC#CC[NH+](C)C)CC1 ZINC000913519120 614324671 /nfs/dbraw/zinc/32/46/71/614324671.db2.gz OIWKKFYIBOXBFD-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000872299630 614550015 /nfs/dbraw/zinc/55/00/15/614550015.db2.gz NRLXXPPVQADCNC-LLVKDONJSA-N 2 0 252.362 0.608 20 30 CCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884304029 614808037 /nfs/dbraw/zinc/80/80/37/614808037.db2.gz DUPYCXXLNRTPDM-HFXYEQLZSA-N 2 0 276.384 0.382 20 30 CCEDRP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484495 614907009 /nfs/dbraw/zinc/90/70/09/614907009.db2.gz JQRAMWRCXDNDMZ-OLZOCXBDSA-N 2 0 266.389 0.726 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)CCCC[NH+]1CCCC1 ZINC000913517496 615857598 /nfs/dbraw/zinc/85/75/98/615857598.db2.gz DASMKQQPAVAUSR-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883331 615927167 /nfs/dbraw/zinc/92/71/67/615927167.db2.gz HZXAFZQFXKNISM-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP Cn1ncc(C#N)c1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866011895 615930756 /nfs/dbraw/zinc/93/07/56/615930756.db2.gz LXSWDNVWWCEVAS-ZIAGYGMSSA-N 2 0 290.415 0.467 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2ncncc2C#N)C[C@H]1C[NH+](C)C ZINC000866012324 615931604 /nfs/dbraw/zinc/93/16/04/615931604.db2.gz YIRGUBRCDDXZSS-ZIAGYGMSSA-N 2 0 288.399 0.524 20 30 CCEDRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452242 616216572 /nfs/dbraw/zinc/21/65/72/616216572.db2.gz VDPLSBRYNBSSLD-CABCVRRESA-N 2 0 275.396 0.685 20 30 CCEDRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876526282 616985190 /nfs/dbraw/zinc/98/51/90/616985190.db2.gz RQLIXCAADPHAKR-BBRMVZONSA-N 2 0 298.390 0.813 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001026283290 625387590 /nfs/dbraw/zinc/38/75/90/625387590.db2.gz FXDLFDDMEFADKJ-NUEKZKHPSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023380459 623018482 /nfs/dbraw/zinc/01/84/82/623018482.db2.gz ZLQLYILWWUGBKL-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406232 624469623 /nfs/dbraw/zinc/46/96/23/624469623.db2.gz NWRDRVIVXIAGBE-NTTUHNMPSA-N 2 0 291.395 0.272 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001020801614 624605228 /nfs/dbraw/zinc/60/52/28/624605228.db2.gz HERZADPLPZODCJ-HDJSIYSDSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022069718 624870578 /nfs/dbraw/zinc/87/05/78/624870578.db2.gz NTRRBVBJJWNZGI-MJBXVCDLSA-N 2 0 263.385 0.729 20 30 CCEDRP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027806328 630935095 /nfs/dbraw/zinc/93/50/95/630935095.db2.gz GGCRBFKMWAGCRJ-UONOGXRCSA-N 2 0 281.400 0.474 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@H]1CCN(C2CC2)C1 ZINC000083094597 630968578 /nfs/dbraw/zinc/96/85/78/630968578.db2.gz NLQOKOMSFCEYBC-JSGCOSHPSA-N 2 0 280.416 0.957 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000985469923 632502874 /nfs/dbraw/zinc/50/28/74/632502874.db2.gz LJPHULUGOXFGHS-OAHLLOKOSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350493 650074931 /nfs/dbraw/zinc/07/49/31/650074931.db2.gz QPXAVUXZLZWUCJ-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989388692 633206719 /nfs/dbraw/zinc/20/67/19/633206719.db2.gz GLARCJDVURRHGZ-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCN1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673725 633344011 /nfs/dbraw/zinc/34/40/11/633344011.db2.gz UYFPWKWUDOPNRW-HNNXBMFYSA-N 2 0 293.411 0.122 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010369896 650207500 /nfs/dbraw/zinc/20/75/00/650207500.db2.gz PPVAWGNGXDORQO-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000181460620 638369435 /nfs/dbraw/zinc/36/94/35/638369435.db2.gz RSNXSRZFOFILMS-ZDUSSCGKSA-N 2 0 268.405 0.752 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000083131604 638793121 /nfs/dbraw/zinc/79/31/21/638793121.db2.gz SRQRYPNZAIZONC-UONOGXRCSA-N 3 0 293.459 0.730 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995897434 638803820 /nfs/dbraw/zinc/80/38/20/638803820.db2.gz RALYTGBWYMHOCY-ZDUSSCGKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996518611 638821342 /nfs/dbraw/zinc/82/13/42/638821342.db2.gz FQCZREXCOLVEPI-CYBMUJFWSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014468635 650454145 /nfs/dbraw/zinc/45/41/45/650454145.db2.gz QDICQXVUJDWCFV-ZIAGYGMSSA-N 2 0 263.385 0.705 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151677 639248147 /nfs/dbraw/zinc/24/81/47/639248147.db2.gz OAGRQZSOYBDHBT-HOCLYGCPSA-N 2 0 289.423 0.956 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006002511 640061868 /nfs/dbraw/zinc/06/18/68/640061868.db2.gz XWQGQZGVKDNAJR-ZFWWWQNUSA-N 2 0 277.412 0.740 20 30 CCEDRP C#C[C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000820429442 641505679 /nfs/dbraw/zinc/50/56/79/641505679.db2.gz WOBBDQUQIJSFLO-GFCCVEGCSA-N 2 0 254.378 0.143 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015994586 650671047 /nfs/dbraw/zinc/67/10/47/650671047.db2.gz JPTOPIYUMAHBMJ-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016968549 650775070 /nfs/dbraw/zinc/77/50/70/650775070.db2.gz GJMSVZQDUPRQTJ-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000841849740 642843709 /nfs/dbraw/zinc/84/37/09/642843709.db2.gz JNZXHAZNMNTZJV-BNDIWNMDSA-N 2 0 262.357 0.135 20 30 CCEDRP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017882588 650831586 /nfs/dbraw/zinc/83/15/86/650831586.db2.gz VUBQEMVNYSKHDA-GASCZTMLSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018266807 650850418 /nfs/dbraw/zinc/85/04/18/650850418.db2.gz RWXDWNBFUNMMRP-KFWWJZLASA-N 2 0 275.396 0.637 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000852860290 644028484 /nfs/dbraw/zinc/02/84/84/644028484.db2.gz OXRBTFBSDZJCRG-CABCVRRESA-N 2 0 275.396 0.732 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852868668 644032908 /nfs/dbraw/zinc/03/29/08/644032908.db2.gz UJAAMZSXXQWSBZ-OCCSQVGLSA-N 2 0 263.385 0.588 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000852882352 644041334 /nfs/dbraw/zinc/04/13/34/644041334.db2.gz DURIMUXDUMLYJH-UONOGXRCSA-N 2 0 261.369 0.200 20 30 CCEDRP [NH3+]CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)C(F)(F)F ZINC000852882692 644041356 /nfs/dbraw/zinc/04/13/56/644041356.db2.gz OENVYPMDBSOOJN-JTQLQIEISA-N 2 0 277.290 0.385 20 30 CCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852889108 644043906 /nfs/dbraw/zinc/04/39/06/644043906.db2.gz BVNBUWPNMVGCFP-GFCCVEGCSA-N 2 0 251.374 0.479 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001018856440 650916019 /nfs/dbraw/zinc/91/60/19/650916019.db2.gz FDNDAMMAHTWDOW-UONOGXRCSA-N 2 0 263.385 0.705 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC)C2)CC1 ZINC001019816122 651008394 /nfs/dbraw/zinc/00/83/94/651008394.db2.gz SBRSQVHXPCZQNH-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000867963635 645689987 /nfs/dbraw/zinc/68/99/87/645689987.db2.gz HDGMRBKQAQAXCP-XJKSGUPXSA-N 2 0 298.390 0.861 20 30 CCEDRP C[C@@H](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+](C)C ZINC000884401468 647728429 /nfs/dbraw/zinc/72/84/29/647728429.db2.gz QQWXWOABLULVKU-SDFYHXNISA-N 2 0 278.400 0.582 20 30 CCEDRP CCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000303880632 649826289 /nfs/dbraw/zinc/82/62/89/649826289.db2.gz KIXUJMSFIQSXPU-ZDUSSCGKSA-N 2 0 269.437 0.574 20 30 CCEDRP C[C@H]1CCCN(C(=[NH2+])NCCN2CCC[N@H+](C)CC2)C1 ZINC000303878814 649826336 /nfs/dbraw/zinc/82/63/36/649826336.db2.gz JIXIVZCZAXHZHW-AWEZNQCLSA-N 2 0 281.448 0.671 20 30 CCEDRP COCC[N@H+](C)CCCNC(=[NH2+])NCC1CCC1 ZINC000303891189 649826639 /nfs/dbraw/zinc/82/66/39/649826639.db2.gz MWQHAKLJPJLWMU-UHFFFAOYSA-N 2 0 256.394 0.659 20 30 CCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NC(C)C)CC1 ZINC000303902365 649826978 /nfs/dbraw/zinc/82/69/78/649826978.db2.gz TWYMPNUTKSOGJS-UHFFFAOYSA-N 2 0 269.437 0.717 20 30 CCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001266275971 790382068 /nfs/dbraw/zinc/38/20/68/790382068.db2.gz SYRNIHQQWDXDGC-HNNXBMFYSA-N 2 0 296.459 0.637 20 30 CCEDRP N#Cc1ccn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c1N ZINC001210263139 790844271 /nfs/dbraw/zinc/84/42/71/790844271.db2.gz TWOPJLOPZUMZFD-UHFFFAOYSA-N 2 0 268.324 0.736 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266637992 791068216 /nfs/dbraw/zinc/06/82/16/791068216.db2.gz CNXXGTJJFNRFJM-RBSFLKMASA-N 2 0 293.411 0.215 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267200451 791663059 /nfs/dbraw/zinc/66/30/59/791663059.db2.gz LUTPLDLDRUFIBN-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCN1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235352498 806411692 /nfs/dbraw/zinc/41/16/92/806411692.db2.gz BNMRALWMVGLANJ-ZDUSSCGKSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CC[NH2+]CCN1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351346 806412710 /nfs/dbraw/zinc/41/27/10/806412710.db2.gz XHOFDGPRRMEWKO-HOCLYGCPSA-N 2 0 295.427 0.627 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CC2CC([NH3+])C2)CC1 ZINC001121920202 799093755 /nfs/dbraw/zinc/09/37/55/799093755.db2.gz GUOXFLHUXDFHFJ-UHFFFAOYSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001121928372 799096880 /nfs/dbraw/zinc/09/68/80/799096880.db2.gz NXMPVWFOMTWEMK-HUUCEWRRSA-N 2 0 296.459 0.670 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001121939193 799102510 /nfs/dbraw/zinc/10/25/10/799102510.db2.gz FZDOLEGTTDEHBH-VXGBXAGGSA-N 2 0 251.374 0.928 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001122412942 799227841 /nfs/dbraw/zinc/22/78/41/799227841.db2.gz YYBJHSGFRVVGDR-GXTWGEPZSA-N 2 0 264.373 0.752 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881997 800304716 /nfs/dbraw/zinc/30/47/16/800304716.db2.gz WAJDRHFELCAISE-CABCVRRESA-N 2 0 297.443 0.966 20 30 CCEDRP C#CC[NH+]1CCC(CCOC)(NC(=O)CC[NH+](C)C)CC1 ZINC001151308759 800415995 /nfs/dbraw/zinc/41/59/95/800415995.db2.gz UKGVAAANZYVBMN-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](C)OC)CC1 ZINC001152323925 800509501 /nfs/dbraw/zinc/50/95/01/800509501.db2.gz HUGHNJYXMFEJSB-CYBMUJFWSA-N 2 0 281.400 0.072 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348167 800512705 /nfs/dbraw/zinc/51/27/05/800512705.db2.gz LSBPZAGMQWMGEJ-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392010 800517469 /nfs/dbraw/zinc/51/74/69/800517469.db2.gz IGLNLTASLRUZOX-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152479324 800527168 /nfs/dbraw/zinc/52/71/68/800527168.db2.gz FNQCWHUFEIBCPY-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP N#Cc1c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncc2c1CCC[NH2+]C2 ZINC001155502530 800992456 /nfs/dbraw/zinc/99/24/56/800992456.db2.gz YZZHSDONKJOPFV-RBSFLKMASA-N 2 0 299.378 0.388 20 30 CCEDRP C=CCOC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239317810 806885966 /nfs/dbraw/zinc/88/59/66/806885966.db2.gz KAZWOUXMUWHHTB-LLVKDONJSA-N 2 0 253.346 0.773 20 30 CCEDRP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200409 801128528 /nfs/dbraw/zinc/12/85/28/801128528.db2.gz KLGBJEQIOXYVBB-OAHLLOKOSA-N 2 0 297.443 0.805 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001157936589 801532010 /nfs/dbraw/zinc/53/20/10/801532010.db2.gz HYTCXFVVWXWPEQ-OAHLLOKOSA-N 2 0 296.374 0.252 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@@]23CCC[NH2+]C3)CCC[NH2+]1 ZINC001158162231 801580787 /nfs/dbraw/zinc/58/07/87/801580787.db2.gz VUZRTCYIVHTMAZ-HZPDHXFCSA-N 2 0 275.396 0.877 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158866579 801716777 /nfs/dbraw/zinc/71/67/77/801716777.db2.gz RYTRNTUKVJVBRB-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCOc1cc(C)nc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159785737 801870506 /nfs/dbraw/zinc/87/05/06/801870506.db2.gz SHEHHAFIOUIPPU-SNVBAGLBSA-N 2 0 251.334 0.785 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N(C(C)C)[C@H]2CC[NH2+]C2)C1 ZINC001161352915 802136623 /nfs/dbraw/zinc/13/66/23/802136623.db2.gz HKEAPUNDAOFGDV-JSGCOSHPSA-N 2 0 251.374 0.894 20 30 CCEDRP COc1nc(NCCC[NH2+]CCCC[NH3+])ncc1C#N ZINC001162290098 802301611 /nfs/dbraw/zinc/30/16/11/802301611.db2.gz IWQQZNIZFTUIKS-UHFFFAOYSA-N 2 0 278.360 0.487 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969437 802778267 /nfs/dbraw/zinc/77/82/67/802778267.db2.gz QWPZFCYSRKHKQK-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677711 802937104 /nfs/dbraw/zinc/93/71/04/802937104.db2.gz LSEIYMCMGIGTCN-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454174 803604558 /nfs/dbraw/zinc/60/45/58/803604558.db2.gz JXHYDXFAPRTOJY-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026135 803665788 /nfs/dbraw/zinc/66/57/88/803665788.db2.gz SSWYLDOMPLOPMD-RBSFLKMASA-N 2 0 295.427 0.577 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213764795 803703359 /nfs/dbraw/zinc/70/33/59/803703359.db2.gz CYHSBUWMECXVAP-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335875 803735428 /nfs/dbraw/zinc/73/54/28/803735428.db2.gz LRSFNPQFEUUXKE-RBSFLKMASA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216499449 803839402 /nfs/dbraw/zinc/83/94/02/803839402.db2.gz JDCXVPCERCDNAR-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218978772 804173443 /nfs/dbraw/zinc/17/34/43/804173443.db2.gz FDNCRVHMOKELNZ-LLVKDONJSA-N 2 0 286.335 0.314 20 30 CCEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001219112598 804204111 /nfs/dbraw/zinc/20/41/11/804204111.db2.gz NOKYTNMQMBMGMV-NSHDSACASA-N 2 0 296.371 0.964 20 30 CCEDRP COC(=O)c1cc(C#N)cc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1 ZINC001219132696 804211249 /nfs/dbraw/zinc/21/12/49/804211249.db2.gz PRJKHYWXPNZTSH-GFCCVEGCSA-N 2 0 290.323 0.350 20 30 CCEDRP N#CCc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccc1F ZINC001219518729 804336217 /nfs/dbraw/zinc/33/62/17/804336217.db2.gz WAJAWWWYWXJQLK-LBPRGKRZSA-N 2 0 288.326 0.639 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220700824 804651607 /nfs/dbraw/zinc/65/16/07/804651607.db2.gz PERVFPQHGMLIJK-QWHCGFSZSA-N 2 0 278.400 0.915 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755139 804660303 /nfs/dbraw/zinc/66/03/03/804660303.db2.gz DOTXQCZNXSWHPK-ZNMIVQPWSA-N 2 0 295.427 0.456 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790839 804667076 /nfs/dbraw/zinc/66/70/76/804667076.db2.gz VDBUTQDIBOKVIH-NFAWXSAZSA-N 2 0 272.352 0.199 20 30 CCEDRP C#CC1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCCCC1 ZINC001221275867 804762054 /nfs/dbraw/zinc/76/20/54/804762054.db2.gz JAJZMTUFHGHOQU-CYBMUJFWSA-N 2 0 263.385 0.766 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883545 804852300 /nfs/dbraw/zinc/85/23/00/804852300.db2.gz JZOLIJZVNZSWMU-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980984 815042570 /nfs/dbraw/zinc/04/25/70/815042570.db2.gz PNLZVECUUBXJEW-SHARSMKWSA-N 2 0 293.411 0.072 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245996816 807109590 /nfs/dbraw/zinc/10/95/90/807109590.db2.gz HFLWSJJRNZLFIS-MCIONIFRSA-N 2 0 254.374 0.944 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246059682 807137366 /nfs/dbraw/zinc/13/73/66/807137366.db2.gz LSSWLWBHYPDHTK-MJBXVCDLSA-N 2 0 252.358 0.071 20 30 CCEDRP N#C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246152478 807168752 /nfs/dbraw/zinc/16/87/52/807168752.db2.gz ZARDGHYBGCWIAF-MJBXVCDLSA-N 2 0 277.416 0.094 20 30 CCEDRP C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)C[NH2+]1 ZINC001246319331 807220503 /nfs/dbraw/zinc/22/05/03/807220503.db2.gz VEKYJTYRFPMOBA-PWSUYJOCSA-N 2 0 295.408 0.936 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246421386 807249531 /nfs/dbraw/zinc/24/95/31/807249531.db2.gz NLHVHVHZRNTRFH-GFCCVEGCSA-N 2 0 257.341 0.137 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278614499 807622724 /nfs/dbraw/zinc/62/27/24/807622724.db2.gz XTRSKTYRXFHWLR-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001251712252 807697040 /nfs/dbraw/zinc/69/70/40/807697040.db2.gz ZBUVXHBBIVGOGS-ZDUSSCGKSA-N 2 0 266.389 0.287 20 30 CCEDRP C#CCOC[C@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001251851318 807720054 /nfs/dbraw/zinc/72/00/54/807720054.db2.gz ITXDAGRZQGEHCB-MRXNPFEDSA-N 2 0 299.459 0.203 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC001251857445 807722897 /nfs/dbraw/zinc/72/28/97/807722897.db2.gz CYEBFQMRJGKYRD-INIZCTEOSA-N 2 0 289.379 0.523 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252604596 807919362 /nfs/dbraw/zinc/91/93/62/807919362.db2.gz VLQCMSVCGZCUBB-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777105 808214597 /nfs/dbraw/zinc/21/45/97/808214597.db2.gz SUPCPPOWSWIFPJ-GDBMZVCRSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCOCCOCC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254508476 808248776 /nfs/dbraw/zinc/24/87/76/808248776.db2.gz JHBHAQSQZLWFPY-CQSZACIVSA-N 2 0 254.374 0.727 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278803926 808274023 /nfs/dbraw/zinc/27/40/23/808274023.db2.gz JJPOHJXXQZJEAP-ZIAGYGMSSA-N 2 0 283.416 0.313 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278815499 808280382 /nfs/dbraw/zinc/28/03/82/808280382.db2.gz FNGITXLCCMBOHY-HOCLYGCPSA-N 2 0 297.443 0.846 20 30 CCEDRP C[NH+]1CCC(NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001256200551 808478062 /nfs/dbraw/zinc/47/80/62/808478062.db2.gz WIAJWDWHABROLU-UHFFFAOYSA-N 2 0 260.341 0.585 20 30 CCEDRP C#CCN1CC[NH+](C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256695811 808552659 /nfs/dbraw/zinc/55/26/59/808552659.db2.gz NXYHYHWHHKEKFT-UHFFFAOYSA-N 2 0 291.439 0.881 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076244752 815266768 /nfs/dbraw/zinc/26/67/68/815266768.db2.gz XTZYCUBQQMGJPB-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001263916796 809605800 /nfs/dbraw/zinc/60/58/00/809605800.db2.gz GWRXGSBHOBBBDN-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001264403193 809652140 /nfs/dbraw/zinc/65/21/40/809652140.db2.gz HNBPQAVNQOMQAY-MELADBBJSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001265331483 809758624 /nfs/dbraw/zinc/75/86/24/809758624.db2.gz BAHFRNJVPOBGTN-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001265566940 809806368 /nfs/dbraw/zinc/80/63/68/809806368.db2.gz PWRQFCMLXCTVNT-MJBXVCDLSA-N 2 0 265.401 0.833 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001265818179 809863159 /nfs/dbraw/zinc/86/31/59/809863159.db2.gz GCVROLYUBNRMOV-ZDUSSCGKSA-N 2 0 281.400 0.072 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001266148393 809948792 /nfs/dbraw/zinc/94/87/92/809948792.db2.gz AEYFASFIAFDHBJ-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267303155 811123082 /nfs/dbraw/zinc/12/30/82/811123082.db2.gz KVOLDPFIWWWZEH-KGLIPLIRSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267307204 811128104 /nfs/dbraw/zinc/12/81/04/811128104.db2.gz NSIXJKHNBIMZNC-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267320626 811150946 /nfs/dbraw/zinc/15/09/46/811150946.db2.gz QDMHWALPPQAYTM-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267682210 811648589 /nfs/dbraw/zinc/64/85/89/811648589.db2.gz JKCFHNCEEGMMIJ-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077311231 815478324 /nfs/dbraw/zinc/47/83/24/815478324.db2.gz YNAGLCRHUMJYSJ-ZIAGYGMSSA-N 2 0 286.335 0.295 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746643 811865567 /nfs/dbraw/zinc/86/55/67/811865567.db2.gz RSQPENAPZSRTNO-UHFFFAOYSA-N 2 0 275.396 0.592 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CC ZINC001267967695 811902608 /nfs/dbraw/zinc/90/26/08/811902608.db2.gz AETSOSAHRMRORZ-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000709482049 811908316 /nfs/dbraw/zinc/90/83/16/811908316.db2.gz LIXYGVOPRSXGTR-UPJWGTAASA-N 2 0 264.373 0.751 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827456 811923823 /nfs/dbraw/zinc/92/38/23/811923823.db2.gz GJTJFGGDWCYPNP-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886853 812118597 /nfs/dbraw/zinc/11/85/97/812118597.db2.gz YTGCHCOFZATHOH-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP N#Cc1c(F)cncc1NC(=[NH2+])NCCCC[NH3+] ZINC001167882488 812403091 /nfs/dbraw/zinc/40/30/91/812403091.db2.gz SRECQQZWOKGLNC-UHFFFAOYSA-N 2 0 250.281 0.768 20 30 CCEDRP C#CCSCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000178581830 812456856 /nfs/dbraw/zinc/45/68/56/812456856.db2.gz PLMDEOFIOASOPZ-GFCCVEGCSA-N 2 0 268.430 0.741 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268493314 812696222 /nfs/dbraw/zinc/69/62/22/812696222.db2.gz MKYZRQMXMYOXOI-HNNXBMFYSA-N 2 0 297.443 0.661 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC=C)CC1 ZINC001268630749 812953726 /nfs/dbraw/zinc/95/37/26/812953726.db2.gz PJXVGMZZXFALHR-WAYWQWQTSA-N 2 0 275.396 0.780 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001268735085 813050804 /nfs/dbraw/zinc/05/08/04/813050804.db2.gz DQDPVBWTIDAHHY-UONOGXRCSA-N 2 0 288.395 0.905 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268751249 813063685 /nfs/dbraw/zinc/06/36/85/813063685.db2.gz KNBQVJONSHNUSU-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCc1cncn1C ZINC001268755277 813066416 /nfs/dbraw/zinc/06/64/16/813066416.db2.gz VENWDMYFKLRFNT-ZDUSSCGKSA-N 2 0 276.384 0.813 20 30 CCEDRP C=CCS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000710888975 813260036 /nfs/dbraw/zinc/26/00/36/813260036.db2.gz XNZHUFYSZMTTHF-UHFFFAOYSA-N 2 0 291.461 0.708 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2ccnc2)C1 ZINC001269264344 813295898 /nfs/dbraw/zinc/29/58/98/813295898.db2.gz WUAPMGQUTMXSAE-CYBMUJFWSA-N 2 0 260.341 0.439 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1CC ZINC001087726579 814198159 /nfs/dbraw/zinc/19/81/59/814198159.db2.gz LCACELLNEQXRHT-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271531121 814469796 /nfs/dbraw/zinc/46/97/96/814469796.db2.gz KXAWDYSFRIFGFU-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271548036 814474029 /nfs/dbraw/zinc/47/40/29/814474029.db2.gz AQNPSHFIGFMDKK-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001271953732 814648102 /nfs/dbraw/zinc/64/81/02/814648102.db2.gz KYTVTGZKSGBSFV-UONOGXRCSA-N 2 0 263.385 0.801 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000176492130 816609620 /nfs/dbraw/zinc/60/96/20/816609620.db2.gz ZPWDFNKTGZYLNO-STQMWFEESA-N 2 0 286.420 0.427 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)[C@H](OC)C1 ZINC001212199299 816636146 /nfs/dbraw/zinc/63/61/46/816636146.db2.gz TZWLAGNSTXGATN-CHWSQXEVSA-N 2 0 292.383 0.734 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621594 816826669 /nfs/dbraw/zinc/82/66/69/816826669.db2.gz TZELOCCBFNZWQN-UKRRQHHQSA-N 2 0 277.412 0.646 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127562964 817277444 /nfs/dbraw/zinc/27/74/44/817277444.db2.gz QGZYVZOCYNRLMZ-CABCVRRESA-N 2 0 295.427 0.625 20 30 CCEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#CCOC)CC[N@@H+]1C ZINC001127701106 817466924 /nfs/dbraw/zinc/46/69/24/817466924.db2.gz IYFSKDDRGAQVNT-UONOGXRCSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780422 817860842 /nfs/dbraw/zinc/86/08/42/817860842.db2.gz YTMDQWJBYQLXDJ-STQMWFEESA-N 2 0 267.373 0.132 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128545010 818620118 /nfs/dbraw/zinc/62/01/18/818620118.db2.gz RZBJPEAGMLONCA-GFCCVEGCSA-N 2 0 259.369 0.948 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C[C@@H]1C ZINC001036254810 819716358 /nfs/dbraw/zinc/71/63/58/819716358.db2.gz VWVFIURJBZENGP-GXTWGEPZSA-N 2 0 274.368 0.422 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001036263903 819717492 /nfs/dbraw/zinc/71/74/92/819717492.db2.gz IEPSFAFDBBBPTJ-UONOGXRCSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036296463 819721495 /nfs/dbraw/zinc/72/14/95/819721495.db2.gz JCIDUPYZSKMMTR-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787707 820638740 /nfs/dbraw/zinc/63/87/40/820638740.db2.gz OOMGTRODSFTZEA-CHWSQXEVSA-N 2 0 261.369 0.152 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694818 820825873 /nfs/dbraw/zinc/82/58/73/820825873.db2.gz RPQPHAFKCYMEJV-KBUPBQIOSA-N 2 0 295.427 0.718 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133551 820906217 /nfs/dbraw/zinc/90/62/17/820906217.db2.gz GSFZDGSEOWCELG-RBSFLKMASA-N 2 0 293.411 0.309 20 30 CCEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084230696 821247423 /nfs/dbraw/zinc/24/74/23/821247423.db2.gz DLOZCENKROEDIS-MGPQQGTHSA-N 2 0 263.385 0.799 20 30 CCEDRP C#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773143 821387745 /nfs/dbraw/zinc/38/77/45/821387745.db2.gz FBIQYVKAWXWYNR-RRFJBIMHSA-N 2 0 275.396 0.494 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197367 822150924 /nfs/dbraw/zinc/15/09/24/822150924.db2.gz FFYOHCQBFZJLSL-YIYPIFLZSA-N 2 0 265.401 0.855 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444689 837505727 /nfs/dbraw/zinc/50/57/27/837505727.db2.gz XAFCIGLSSXYDNO-CYBMUJFWSA-N 2 0 269.389 0.235 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421971 837788015 /nfs/dbraw/zinc/78/80/15/837788015.db2.gz RBNZMGANWVJXOC-LBPRGKRZSA-N 2 0 298.431 0.113 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939724 844115683 /nfs/dbraw/zinc/11/56/83/844115683.db2.gz JTCIYQQUBWILAV-CQSZACIVSA-N 2 0 275.396 0.829 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550492 836863853 /nfs/dbraw/zinc/86/38/53/836863853.db2.gz KFESHPYURVMYCL-MGPQQGTHSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491343 837893348 /nfs/dbraw/zinc/89/33/48/837893348.db2.gz ZRDRFXOSAUSCFZ-KGLIPLIRSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132264761 838348568 /nfs/dbraw/zinc/34/85/68/838348568.db2.gz BCMMLUHMFOBSFB-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294527 838592214 /nfs/dbraw/zinc/59/22/14/838592214.db2.gz MGCIADDDTBASNQ-UHFFFAOYSA-N 2 0 278.194 0.553 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882674 839454929 /nfs/dbraw/zinc/45/49/29/839454929.db2.gz QXKJJEQLYVABPM-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650381 844441681 /nfs/dbraw/zinc/44/16/81/844441681.db2.gz IFRBLLYTORGEAM-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001091096082 840053417 /nfs/dbraw/zinc/05/34/17/840053417.db2.gz LWSNKORKJYZHJB-UHFFFAOYSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001091100315 840055071 /nfs/dbraw/zinc/05/50/71/840055071.db2.gz PMYIJTILSVUAFJ-JXQTWKCFSA-N 2 0 263.385 0.588 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171217498 840126893 /nfs/dbraw/zinc/12/68/93/840126893.db2.gz OAVUGKCUXYJROB-AWEZNQCLSA-N 2 0 281.400 0.074 20 30 CCEDRP C=CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210703 840762755 /nfs/dbraw/zinc/76/27/55/840762755.db2.gz SLZSQEGTXWCURH-UHFFFAOYSA-N 2 0 251.374 0.658 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148643171 840862333 /nfs/dbraw/zinc/86/23/33/840862333.db2.gz SSZFTFXFWRIHFN-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CCC1(C)C ZINC000712622889 841101614 /nfs/dbraw/zinc/10/16/14/841101614.db2.gz QVSQSGSJEPCBAK-LBPRGKRZSA-N 2 0 266.389 0.950 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195136 841172337 /nfs/dbraw/zinc/17/23/37/841172337.db2.gz LBNVUWPLEGZWHC-QLFBSQMISA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895871 841663949 /nfs/dbraw/zinc/66/39/49/841663949.db2.gz FWJYWKVDYCGBJA-CABCVRRESA-N 2 0 275.396 0.638 20 30 CCEDRP C[C@@H](CCCC#N)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172486735 841931704 /nfs/dbraw/zinc/93/17/04/841931704.db2.gz CTYUNKPAYZITNW-JTQLQIEISA-N 2 0 258.326 0.207 20 30 CCEDRP C=CCOC1CCC([NH2+]C[C@@H](CN)C(=O)OC)CC1 ZINC001173315669 842051435 /nfs/dbraw/zinc/05/14/35/842051435.db2.gz OXTCTSDCXPDAGD-PNESKVBLSA-N 2 0 270.373 0.838 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179472204 843004762 /nfs/dbraw/zinc/00/47/62/843004762.db2.gz IRBJHYDQXZCIQU-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623257 843868093 /nfs/dbraw/zinc/86/80/93/843868093.db2.gz IZECPLXTENBHEM-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183192030 843974447 /nfs/dbraw/zinc/97/44/47/843974447.db2.gz VMFUMIPLEUTLOT-GDBMZVCRSA-N 2 0 295.427 0.272 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169698 845796547 /nfs/dbraw/zinc/79/65/47/845796547.db2.gz COMUBWATZFAATJ-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169577 845797046 /nfs/dbraw/zinc/79/70/46/845797046.db2.gz AJFWXZRLGAQVRA-CQSZACIVSA-N 2 0 283.416 0.673 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193500038 846086567 /nfs/dbraw/zinc/08/65/67/846086567.db2.gz OOLAWPFIFBOSPG-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001751 846201500 /nfs/dbraw/zinc/20/15/00/846201500.db2.gz KDVPATGBVAMNQE-GJZGRUSLSA-N 2 0 295.427 0.673 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194244725 846248723 /nfs/dbraw/zinc/24/87/23/846248723.db2.gz XQGGKRYFNKFLBS-ZIAGYGMSSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCOC(=O)NCC1([NH+](C)C)CCN(C)CC1 ZINC001194331271 846278116 /nfs/dbraw/zinc/27/81/16/846278116.db2.gz YUHCNOXJPWZGHP-UHFFFAOYSA-N 2 0 255.362 0.925 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794819 846302569 /nfs/dbraw/zinc/30/25/69/846302569.db2.gz ZCMQHHBVQMOFBR-KGLIPLIRSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198039112 847036662 /nfs/dbraw/zinc/03/66/62/847036662.db2.gz ZUWBOEZXMJMUSX-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001273766330 847117911 /nfs/dbraw/zinc/11/79/11/847117911.db2.gz XQWVVXBRFGFNMF-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788711 847433188 /nfs/dbraw/zinc/43/31/88/847433188.db2.gz YCCWPXHLHWIJJB-HNNXBMFYSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882497 847727347 /nfs/dbraw/zinc/72/73/47/847727347.db2.gz ZPAZQUCLHDFHPM-HOCLYGCPSA-N 2 0 295.427 0.552 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201428972 847779345 /nfs/dbraw/zinc/77/93/45/847779345.db2.gz DGAFRYTTYSSIPN-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201688063 847807874 /nfs/dbraw/zinc/80/78/74/847807874.db2.gz MCEHDCMUXPKJEL-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872327 847827269 /nfs/dbraw/zinc/82/72/69/847827269.db2.gz NZGPBYZHEAQVAQ-CQSZACIVSA-N 2 0 293.411 0.475 20 30 CCEDRP CC[C@@H](C(=O)NC1CC(C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001275310623 848688801 /nfs/dbraw/zinc/68/88/01/848688801.db2.gz OCILMYXWPLFDNV-NRXISQOPSA-N 2 0 295.427 0.461 20 30 CCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001275416313 848715839 /nfs/dbraw/zinc/71/58/39/848715839.db2.gz UVDMQLAGPIWWHW-ZIAGYGMSSA-N 2 0 295.427 0.603 20 30 CCEDRP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001275977127 848879887 /nfs/dbraw/zinc/87/98/87/848879887.db2.gz NJBUGKBJGDGKCD-CHWSQXEVSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114827232 849411135 /nfs/dbraw/zinc/41/11/35/849411135.db2.gz YERRJKHQEOYHJT-BARDWOONSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCOC)CC1 ZINC001039042843 850135342 /nfs/dbraw/zinc/13/53/42/850135342.db2.gz XTNDVFBOINHBNC-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041356912 850436406 /nfs/dbraw/zinc/43/64/06/850436406.db2.gz DEAQIUITHBJZMF-NVXWUHKLSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047386034 851743971 /nfs/dbraw/zinc/74/39/71/851743971.db2.gz KMLMEJGDWPPBGC-MQYQWHSLSA-N 2 0 281.400 0.016 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001483409265 895544715 /nfs/dbraw/zinc/54/47/15/895544715.db2.gz JQIHYMWIWZBHAN-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048871141 852090252 /nfs/dbraw/zinc/09/02/52/852090252.db2.gz JNEQXANXOAQFNT-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875652 852093022 /nfs/dbraw/zinc/09/30/22/852093022.db2.gz GWJATRJDVYZZMK-XHSDSOJGSA-N 2 0 291.439 0.986 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896889 852102229 /nfs/dbraw/zinc/10/22/29/852102229.db2.gz IVWYXYQLWLYZQQ-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@H]2C1 ZINC001049087481 852160363 /nfs/dbraw/zinc/16/03/63/852160363.db2.gz RFDJZJRWCQDCMJ-KFWWJZLASA-N 2 0 286.379 0.858 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001097847046 852630640 /nfs/dbraw/zinc/63/06/40/852630640.db2.gz RUVIXAQWOQSJRD-TUVASFSCSA-N 2 0 275.396 0.825 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050139530 853323048 /nfs/dbraw/zinc/32/30/48/853323048.db2.gz BMJHLYCOIXCOSN-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073554646 854591972 /nfs/dbraw/zinc/59/19/72/854591972.db2.gz KOGLWIFENQXJOY-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480076 854868277 /nfs/dbraw/zinc/86/82/77/854868277.db2.gz OXSMYCNESQMRSQ-HNNXBMFYSA-N 2 0 297.443 0.798 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971477 855055795 /nfs/dbraw/zinc/05/57/95/855055795.db2.gz IRPHSRDUVHNLSA-QWHCGFSZSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989657 855062975 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CC#CC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100872683 855232821 /nfs/dbraw/zinc/23/28/21/855232821.db2.gz FDAXPYXUPYHXEN-UHFFFAOYSA-N 2 0 275.396 0.590 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101036628 855256293 /nfs/dbraw/zinc/25/62/93/855256293.db2.gz WHWMLAFOQCXJDL-UHFFFAOYSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287002 855425931 /nfs/dbraw/zinc/42/59/31/855425931.db2.gz IIYIBXCFMBJAPF-ZIAGYGMSSA-N 2 0 277.412 0.646 20 30 CCEDRP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241064 855653915 /nfs/dbraw/zinc/65/39/15/855653915.db2.gz BDRYAMKZHJKPFH-KBXIAJHMSA-N 2 0 277.412 0.951 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001324185796 912710648 /nfs/dbraw/zinc/71/06/48/912710648.db2.gz FFXDLETWWHFVND-CQSZACIVSA-N 2 0 275.396 0.829 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001324994158 913138036 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C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCC[NH2+]C1 ZINC001326312505 913884718 /nfs/dbraw/zinc/88/47/18/913884718.db2.gz BBRXBWDDKUSQST-TUAOUCFPSA-N 2 0 252.362 0.512 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001482841008 894643987 /nfs/dbraw/zinc/64/39/87/894643987.db2.gz BLKNDSGFIHXIOU-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482890774 894674988 /nfs/dbraw/zinc/67/49/88/894674988.db2.gz JRUJAHZLOALPLN-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001326412166 913940550 /nfs/dbraw/zinc/94/05/50/913940550.db2.gz RDCXYGXQYPDBCT-AWEZNQCLSA-N 2 0 275.396 0.544 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483319072 895444593 /nfs/dbraw/zinc/44/45/93/895444593.db2.gz HBUYRRCGRCWOSV-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383057 895521534 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C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032412071 897507785 /nfs/dbraw/zinc/50/77/85/897507785.db2.gz HCZLIJAQCDYJSE-ZQDZILKHSA-N 2 0 275.396 0.635 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C(C)C ZINC001032453540 897588969 /nfs/dbraw/zinc/58/89/69/897588969.db2.gz DVRBCYGAZWGUPY-KKUMJFAQSA-N 2 0 275.396 0.778 20 30 CCEDRP C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001108031039 898244988 /nfs/dbraw/zinc/24/49/88/898244988.db2.gz WRFWKDLGXJBXCQ-ZBFHGGJFSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001486295440 898761887 /nfs/dbraw/zinc/76/18/87/898761887.db2.gz PTGUIAVBTPCJGM-CABCVRRESA-N 2 0 297.443 0.703 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486288435 898774751 /nfs/dbraw/zinc/77/47/51/898774751.db2.gz RVYFDMMRNRMTHU-CQSZACIVSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001486519785 898918554 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C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001281184437 904238941 /nfs/dbraw/zinc/23/89/41/904238941.db2.gz JXAKBEFEWBHMPG-ZBFHGGJFSA-N 2 0 295.427 0.457 20 30 CCEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001281282947 904257126 /nfs/dbraw/zinc/25/71/26/904257126.db2.gz LTWMVHQKKQDZAD-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001281282948 904258764 /nfs/dbraw/zinc/25/87/64/904258764.db2.gz LTWMVHQKKQDZAD-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283189965 904740980 /nfs/dbraw/zinc/74/09/80/904740980.db2.gz BTINEVNQRFWOFT-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)CCCC[NH+](C)C ZINC001283702478 904967990 /nfs/dbraw/zinc/96/79/90/904967990.db2.gz LZINJPBTJSFKDD-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001284869527 905449113 /nfs/dbraw/zinc/44/91/13/905449113.db2.gz UYZJWFYMZWESCD-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001491752236 907547257 /nfs/dbraw/zinc/54/72/57/907547257.db2.gz XREMVCNGDLDHJW-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317192194 907818214 /nfs/dbraw/zinc/81/82/14/907818214.db2.gz CRILIEUVJKFWMV-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCn1cc(CNC[C@H](O)C[NH+]2CCCC2)cn1 ZINC001336825154 907998927 /nfs/dbraw/zinc/99/89/27/907998927.db2.gz CMWMMQMJTAMJOR-AWEZNQCLSA-N 2 0 262.357 0.063 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317344155 908166353 /nfs/dbraw/zinc/16/63/53/908166353.db2.gz QAUHXGLPNRNNQX-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341577941 908619020 /nfs/dbraw/zinc/61/90/20/908619020.db2.gz GLVQHUDTTKISQN-ZIAGYGMSSA-N 2 0 285.432 0.857 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317335678 909149689 /nfs/dbraw/zinc/14/96/89/909149689.db2.gz FKYJXNKZTHVYBM-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H](C)OC)CC1 ZINC001317471390 909251008 /nfs/dbraw/zinc/25/10/08/909251008.db2.gz IBDSVOKJUGVMML-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C)CN1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001319307853 910085939 /nfs/dbraw/zinc/08/59/39/910085939.db2.gz ILDNWWKDOUFMDA-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001321628052 911407413 /nfs/dbraw/zinc/40/74/13/911407413.db2.gz MSHQJEISWATBFU-CYBMUJFWSA-N 2 0 269.389 0.072 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001321755419 911475250 /nfs/dbraw/zinc/47/52/50/911475250.db2.gz CTWSIAFHTZYQPV-CQSZACIVSA-N 2 0 275.396 0.449 20 30 CCEDRP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321849310 911524973 /nfs/dbraw/zinc/52/49/73/911524973.db2.gz MGZQKKDXJKKEPS-WCQYABFASA-N 2 0 251.374 0.609 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001328672913 915351091 /nfs/dbraw/zinc/35/10/91/915351091.db2.gz UEVFIZNWYPVXSN-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001330686995 916792466 /nfs/dbraw/zinc/79/24/66/916792466.db2.gz TVAUXOLJEATLTB-IHRRRGAJSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001331601125 917442124 /nfs/dbraw/zinc/44/21/24/917442124.db2.gz RPYXHQUNGHFQSO-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332528994 918256854 /nfs/dbraw/zinc/25/68/54/918256854.db2.gz LAMIGGDGARUJEO-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332550247 918269708 /nfs/dbraw/zinc/26/97/08/918269708.db2.gz GFEOIOCTXBQMRR-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001332587989 918290559 /nfs/dbraw/zinc/29/05/59/918290559.db2.gz NVBSHEWCUQOHDU-OAHLLOKOSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001332634501 918332815 /nfs/dbraw/zinc/33/28/15/918332815.db2.gz XGYGQIMGFCLHDL-LSDHHAIUSA-N 2 0 297.443 0.798 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001332664564 918363888 /nfs/dbraw/zinc/36/38/88/918363888.db2.gz VMOMKFXNZGZLBY-CQSZACIVSA-N 2 0 295.427 0.103 20 30 CCEDRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001332928823 918538112 /nfs/dbraw/zinc/53/81/12/918538112.db2.gz NKEOKZPIUVBTHC-AWEZNQCLSA-N 2 0 296.415 0.625 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001332928826 918539627 /nfs/dbraw/zinc/53/96/27/918539627.db2.gz NLCWVWYSFWEQHJ-NWDGAFQWSA-N 2 0 252.362 0.595 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC001340115009 921964422 /nfs/dbraw/zinc/96/44/22/921964422.db2.gz ZQQZETZDUZWTIL-CABCVRRESA-N 2 0 296.459 0.812 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC001340684544 922166461 /nfs/dbraw/zinc/16/64/61/922166461.db2.gz KYSIMOUGFQCDSQ-BFHYXJOUSA-N 2 0 279.384 0.097 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC001343731231 923447688 /nfs/dbraw/zinc/44/76/88/923447688.db2.gz GYHZHSGROFEYKA-ZDUSSCGKSA-N 2 0 266.389 0.998 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])CO)C(C)C ZINC001357363156 926517137 /nfs/dbraw/zinc/51/71/37/926517137.db2.gz WRNAUWMOACIERW-OLZOCXBDSA-N 2 0 269.389 0.121 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601550670 362309151 /nfs/dbraw/zinc/30/91/51/362309151.db2.gz DFNXMQDCMHRBNT-HZSPNIEDSA-N 2 0 278.400 0.998 20 30 CCEDRP C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)[NH+](C)C ZINC000602082705 362476299 /nfs/dbraw/zinc/47/62/99/362476299.db2.gz OFVGDYBMUFRJCY-GFCCVEGCSA-N 2 0 254.378 0.630 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602532461 362661188 /nfs/dbraw/zinc/66/11/88/362661188.db2.gz XRXNNCYUWUGRPP-STQMWFEESA-N 2 0 266.389 0.854 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH+]2CCCC2)CC1 ZINC000068064500 348796091 /nfs/dbraw/zinc/79/60/91/348796091.db2.gz BWHYNEQWSAVROG-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP Cc1ccc(C#N)cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000556947858 291018016 /nfs/dbraw/zinc/01/80/16/291018016.db2.gz XFMRXPZKIWRVJP-ZDUSSCGKSA-N 2 0 287.367 0.973 20 30 CCEDRP C[C@H]1CC2(CN1C(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]CC2 ZINC000331657208 354616392 /nfs/dbraw/zinc/61/63/92/354616392.db2.gz OJOBMCDZYZKWDJ-QWHCGFSZSA-N 2 0 278.400 0.998 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000573177549 358943969 /nfs/dbraw/zinc/94/39/69/358943969.db2.gz UUDJEPLKIQCZGM-ZQNQSHIBSA-N 2 0 284.400 0.390 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570758 359896116 /nfs/dbraw/zinc/89/61/16/359896116.db2.gz QNVYQLIFCQJGJP-NEPJUHHUSA-N 2 0 264.373 0.798 20 30 CCEDRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594427052 360301395 /nfs/dbraw/zinc/30/13/95/360301395.db2.gz SLBGKKXKKDMMLG-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000594444275 360311170 /nfs/dbraw/zinc/31/11/70/360311170.db2.gz NNWCXMUDPWDIIG-RWMBFGLXSA-N 2 0 264.373 0.608 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445913 360312851 /nfs/dbraw/zinc/31/28/51/360312851.db2.gz NJAOKURLLKZLCN-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000594464461 360320717 /nfs/dbraw/zinc/32/07/17/360320717.db2.gz OPBFDZPVPRMEIX-CYBMUJFWSA-N 2 0 275.356 0.443 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719154 361495999 /nfs/dbraw/zinc/49/59/99/361495999.db2.gz HXIKQKVPDKLUGH-KBPBESRZSA-N 2 0 282.432 0.513 20 30 CCEDRP C=CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479605 412810064 /nfs/dbraw/zinc/81/00/64/412810064.db2.gz VHGQNIPLSQWOAK-KGLIPLIRSA-N 2 0 293.411 0.964 20 30 CCEDRP C=CC[C@H](CO)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000186624354 388843528 /nfs/dbraw/zinc/84/35/28/388843528.db2.gz BEJAXMMMPPKFJB-CYBMUJFWSA-N 2 0 298.431 0.249 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)C(C)C ZINC000188082748 388912418 /nfs/dbraw/zinc/91/24/18/388912418.db2.gz GTAXIOKIRGSRHQ-HUUCEWRRSA-N 2 0 295.427 0.790 20 30 CCEDRP CC#CCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339755524 389138787 /nfs/dbraw/zinc/13/87/87/389138787.db2.gz IFTVKONCPQBANP-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000342741910 389252472 /nfs/dbraw/zinc/25/24/72/389252472.db2.gz ZHACOKPIAYQBAF-HNNXBMFYSA-N 2 0 297.443 0.967 20 30 CCEDRP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330516717 389236805 /nfs/dbraw/zinc/23/68/05/389236805.db2.gz MHNPHYXFBCLBKJ-UHFFFAOYSA-N 2 0 298.431 0.946 20 30 CCEDRP CC#CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367166952 389325027 /nfs/dbraw/zinc/32/50/27/389325027.db2.gz BNVLSHBDCRJHRV-CYBMUJFWSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CCNC(NCCN1CCSCC1)=[NH+]CC ZINC000262776477 389294977 /nfs/dbraw/zinc/29/49/77/389294977.db2.gz JMWHWUABTGGZLO-UHFFFAOYSA-N 2 0 254.403 0.224 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1ccnc1 ZINC000264074020 389304557 /nfs/dbraw/zinc/30/45/57/389304557.db2.gz GUYBNQYMVILVMY-GFCCVEGCSA-N 2 0 264.377 0.272 20 30 CCEDRP CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270568522 389434400 /nfs/dbraw/zinc/43/44/00/389434400.db2.gz MLVKNYLHGBKKKA-UHFFFAOYSA-N 2 0 251.334 0.056 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000417531521 389828271 /nfs/dbraw/zinc/82/82/71/389828271.db2.gz RMBRXUOXSMYHFB-CYBMUJFWSA-N 2 0 266.389 0.688 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338394 389985580 /nfs/dbraw/zinc/98/55/80/389985580.db2.gz KVGHWIIJBSGZBJ-BFHYXJOUSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000564922559 390498039 /nfs/dbraw/zinc/49/80/39/390498039.db2.gz YAPINOOOYBKYBF-HNNXBMFYSA-N 2 0 281.400 0.379 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CCC[NH2+]1 ZINC000662761588 414770685 /nfs/dbraw/zinc/77/06/85/414770685.db2.gz OIKPCAITVIOQOJ-SGMGOOAPSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@]2(COC)CCC[NH2+]2)CCC[NH2+]1 ZINC000662778816 414784385 /nfs/dbraw/zinc/78/43/85/414784385.db2.gz JFHOZHPJXWITSO-GJZGRUSLSA-N 2 0 281.400 0.570 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCC[NH2+]1 ZINC000662780752 414787550 /nfs/dbraw/zinc/78/75/50/414787550.db2.gz UCUQVSRFBHREIQ-SWLSCSKDSA-N 2 0 263.385 0.943 20 30 CCEDRP C[C@H]1C[NH+]=C(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)N1 ZINC000285025632 263089302 /nfs/dbraw/zinc/08/93/02/263089302.db2.gz JKHDAKADJJXRQD-SWLSCSKDSA-N 2 0 288.395 0.343 20 30 CCEDRP CN(CCCNC(=[NH2+])Nc1ccccn1)CC[NH+](C)C ZINC000288681881 263105525 /nfs/dbraw/zinc/10/55/25/263105525.db2.gz IVEBXXANFFNUNL-UHFFFAOYSA-N 2 0 278.404 0.692 20 30 CCEDRP C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CCC[NH+]2C)CC1 ZINC000331138062 264135137 /nfs/dbraw/zinc/13/51/37/264135137.db2.gz WDSSUYJQYHHGMA-CQSZACIVSA-N 2 0 298.431 0.383 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189620 264226054 /nfs/dbraw/zinc/22/60/54/264226054.db2.gz UFZSYBPETTWLHC-LBPRGKRZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261912165 329988723 /nfs/dbraw/zinc/98/87/23/329988723.db2.gz XQZSMXXFFJWZEI-CQSZACIVSA-N 2 0 281.400 0.507 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000262438555 330012890 /nfs/dbraw/zinc/01/28/90/330012890.db2.gz GXZTVWZAXVCLKN-NEPJUHHUSA-N 2 0 266.389 0.506 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCCC1 ZINC000424132912 330265202 /nfs/dbraw/zinc/26/52/02/330265202.db2.gz LFWBNLAMSRIFSQ-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424141633 330283478 /nfs/dbraw/zinc/28/34/78/330283478.db2.gz HGYGXYYRJZXGRE-GFCCVEGCSA-N 2 0 254.378 0.856 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424157122 330304714 /nfs/dbraw/zinc/30/47/14/330304714.db2.gz PGMFLIZHMJUVFX-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C[NH3+] ZINC000424196516 330325212 /nfs/dbraw/zinc/32/52/12/330325212.db2.gz GLBMSZFUDHAUCU-YVECIDJPSA-N 2 0 266.389 0.839 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000491069170 332145285 /nfs/dbraw/zinc/14/52/85/332145285.db2.gz UCKBZVZPQXBVAZ-RBSFLKMASA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC)CCC[NH+](C)C ZINC000491623668 332247988 /nfs/dbraw/zinc/24/79/88/332247988.db2.gz HMFMBDNBRWXADS-UHFFFAOYSA-N 2 0 282.432 0.925 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000491731674 332313415 /nfs/dbraw/zinc/31/34/15/332313415.db2.gz MOEFNDDMYPBFAG-LBPRGKRZSA-N 2 0 253.390 0.692 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC([NH3+])(CC)CC ZINC000491779805 332344506 /nfs/dbraw/zinc/34/45/06/332344506.db2.gz JJFYZTHEADCFQZ-UHFFFAOYSA-N 2 0 268.405 0.758 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000491809193 332361970 /nfs/dbraw/zinc/36/19/70/332361970.db2.gz XJYCBMUOCSDJKG-CHWSQXEVSA-N 2 0 266.389 0.239 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000581185932 336020829 /nfs/dbraw/zinc/02/08/29/336020829.db2.gz DDIARFPBUPCHBY-NRXISQOPSA-N 2 0 282.432 0.655 20 30 CCEDRP C#CCCN1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000730281514 581691578 /nfs/dbraw/zinc/69/15/78/581691578.db2.gz ZHVRRWRXMRRTMI-UHFFFAOYSA-N 2 0 251.374 0.496 20 30 CCEDRP NC(=NOCCO)c1ccc(CN2CCOCC2)cc1 ZINC000732527200 581833792 /nfs/dbraw/zinc/83/37/92/581833792.db2.gz NCSPGEQSSCSAET-UHFFFAOYSA-N 2 0 279.340 0.148 20 30 CCEDRP C#CCNC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849276622 612953623 /nfs/dbraw/zinc/95/36/23/612953623.db2.gz MIRWNZDKOKKQQS-LBPRGKRZSA-N 2 0 270.446 0.356 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC000908435118 613073300 /nfs/dbraw/zinc/07/33/00/613073300.db2.gz CKQNHRPGYWHAOB-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000891921030 613074893 /nfs/dbraw/zinc/07/48/93/613074893.db2.gz HZHABQZFJXVPCL-UHFFFAOYSA-N 2 0 280.416 0.902 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000846168334 613075019 /nfs/dbraw/zinc/07/50/19/613075019.db2.gz SLBPZBQWQLTQBM-UHFFFAOYSA-N 2 0 280.416 0.630 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC000818588892 613077896 /nfs/dbraw/zinc/07/78/96/613077896.db2.gz ITJSQUQOSFXQHZ-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972334773 613080575 /nfs/dbraw/zinc/08/05/75/613080575.db2.gz JUSSEKZGIALAKM-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCOCC1 ZINC000887122095 612970733 /nfs/dbraw/zinc/97/07/33/612970733.db2.gz KVGWWIULHYKXHN-CYBMUJFWSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CCCOC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588969 613049586 /nfs/dbraw/zinc/04/95/86/613049586.db2.gz AAOMYUULIFZPKR-ZIAGYGMSSA-N 2 0 281.400 0.818 20 30 CCEDRP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000886572719 613065323 /nfs/dbraw/zinc/06/53/23/613065323.db2.gz XXFFSZDTQWFQSO-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891920661 613076405 /nfs/dbraw/zinc/07/64/05/613076405.db2.gz CGMHKQZNYDBYAP-DZGCQCFKSA-N 2 0 278.400 0.525 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C)C2)CC1 ZINC000855360068 613128735 /nfs/dbraw/zinc/12/87/35/613128735.db2.gz BLPZYIJCRCRJIN-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000861910094 613130097 /nfs/dbraw/zinc/13/00/97/613130097.db2.gz ZXAONWBJQXGOHN-FICVDOATSA-N 2 0 275.396 0.350 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000897470556 613134018 /nfs/dbraw/zinc/13/40/18/613134018.db2.gz GSFGCGNZNBJBLH-AWEZNQCLSA-N 2 0 292.427 0.725 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000914392095 613134286 /nfs/dbraw/zinc/13/42/86/613134286.db2.gz SKFNMFKDCHGIKS-CQSZACIVSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000914315672 613134873 /nfs/dbraw/zinc/13/48/73/613134873.db2.gz XJSIFJGMPCYXBW-CQSZACIVSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982012731 613143474 /nfs/dbraw/zinc/14/34/74/613143474.db2.gz FXHJVWFOTIXYNO-GJZGRUSLSA-N 2 0 289.423 0.742 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000849019156 613220294 /nfs/dbraw/zinc/22/02/94/613220294.db2.gz MPZFKWFWQFUKPC-ZDUSSCGKSA-N 2 0 266.345 0.011 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473640 613297073 /nfs/dbraw/zinc/29/70/73/613297073.db2.gz YECFFYRBZYFQJH-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961957572 613313998 /nfs/dbraw/zinc/31/39/98/613313998.db2.gz OXBFABOMDHTXLC-FOLVSLTJSA-N 2 0 275.396 0.398 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000912766421 613364007 /nfs/dbraw/zinc/36/40/07/613364007.db2.gz WVSYFEZKVOVKFG-ZDUSSCGKSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199585 613364274 /nfs/dbraw/zinc/36/42/74/613364274.db2.gz GPGOQGAMPAXOIH-KGLIPLIRSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000908292074 613364484 /nfs/dbraw/zinc/36/44/84/613364484.db2.gz KFFOXJVQDRJXSK-UONOGXRCSA-N 2 0 265.401 0.904 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000900953871 613364723 /nfs/dbraw/zinc/36/47/23/613364723.db2.gz GUVOZQZUKVOEDD-UHFFFAOYSA-N 2 0 296.459 0.637 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824106035 613366820 /nfs/dbraw/zinc/36/68/20/613366820.db2.gz DGCGBNAFRGOODE-BETUJISGSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCOC)CC[NH+](C)C ZINC000876878548 613387169 /nfs/dbraw/zinc/38/71/69/613387169.db2.gz GFBWGVQBVYWBTF-LLVKDONJSA-N 2 0 277.796 0.493 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000876544847 613389497 /nfs/dbraw/zinc/38/94/97/613389497.db2.gz YWKDGIVEJLPFEO-GUBZILKMSA-N 2 0 261.753 0.031 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN2CCOC[C@H]2CC)CCC[NH2+]1 ZINC000877432376 613409680 /nfs/dbraw/zinc/40/96/80/613409680.db2.gz CLXYEYLNJMKALI-ZBFHGGJFSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970876219 613483167 /nfs/dbraw/zinc/48/31/67/613483167.db2.gz DFQNMECQIODMGU-OLZOCXBDSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000961765697 613562954 /nfs/dbraw/zinc/56/29/54/613562954.db2.gz RUSORPDYAUYBAF-TTZDDIAXSA-N 2 0 277.412 0.951 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604361 613609970 /nfs/dbraw/zinc/60/99/70/613609970.db2.gz VVSWVXAURXTEJQ-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344682 613628903 /nfs/dbraw/zinc/62/89/03/613628903.db2.gz FOJRSRYMWGHMQF-JONQDZQNSA-N 2 0 289.423 0.788 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959923075 613637442 /nfs/dbraw/zinc/63/74/42/613637442.db2.gz OSUCHMZXZNSLTE-CAOSSQGBSA-N 2 0 287.407 0.398 20 30 CCEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487879 613646362 /nfs/dbraw/zinc/64/63/62/613646362.db2.gz JYSFGSNKHQXVLG-UHFFFAOYSA-N 2 0 295.427 0.576 20 30 CCEDRP C=CCNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000848989911 613844648 /nfs/dbraw/zinc/84/46/48/613844648.db2.gz LCLXKKAMSMJRHE-UHFFFAOYSA-N 2 0 281.404 0.264 20 30 CCEDRP C=CCNC(=O)CN1CC[NH+](C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000903440756 613845751 /nfs/dbraw/zinc/84/57/51/613845751.db2.gz BTGSDJOUTSTUIO-UONOGXRCSA-N 2 0 280.416 0.034 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430706 613855169 /nfs/dbraw/zinc/85/51/69/613855169.db2.gz FGFDLTJTTLPYTG-RWMBFGLXSA-N 2 0 251.374 0.561 20 30 CCEDRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884042006 614117954 /nfs/dbraw/zinc/11/79/54/614117954.db2.gz NISJWVCNEPYEPO-WJEHIRDRSA-N 2 0 292.427 0.958 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153669 615131393 /nfs/dbraw/zinc/13/13/93/615131393.db2.gz QDYPCWDEQIOAEA-CYBMUJFWSA-N 3 0 283.464 0.963 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCC(C)C)CC1 ZINC000104174657 615158996 /nfs/dbraw/zinc/15/89/96/615158996.db2.gz ATEYIGOZOJYFBE-AWEZNQCLSA-N 2 0 283.464 0.820 20 30 CCEDRP CCOCCC[N@@H+]1CCC(N=NC2=NCCN2)[C@H](C)C1 ZINC000841659158 615241483 /nfs/dbraw/zinc/24/14/83/615241483.db2.gz LSNWSHSLRGYMKA-GFCCVEGCSA-N 2 0 281.404 0.660 20 30 CCEDRP CCOCCCNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000104158205 615241493 /nfs/dbraw/zinc/24/14/93/615241493.db2.gz JAPJQCHWSFSNOH-UHFFFAOYSA-N 2 0 256.394 0.803 20 30 CCEDRP CC[C@@H](C(=O)NCC#CC[NH+](C)C)[NH+](CC)CC ZINC000913518848 615380120 /nfs/dbraw/zinc/38/01/20/615380120.db2.gz DDSVTONMBDOMJS-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C[NH+](C)CCn1cc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852863574 615916652 /nfs/dbraw/zinc/91/66/52/615916652.db2.gz PZAVNOPZPRYUDL-UHFFFAOYSA-N 2 0 289.383 0.386 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)CSCC#N)C[C@H]1C[NH+](C)C ZINC000870024125 615929487 /nfs/dbraw/zinc/92/94/87/615929487.db2.gz UGCNVOSRFIKYCI-CHWSQXEVSA-N 2 0 298.456 0.441 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1C[NH+](C)C ZINC000866010468 615930808 /nfs/dbraw/zinc/93/08/08/615930808.db2.gz JOTBNGCAXLKODB-CHWSQXEVSA-N 2 0 288.399 0.524 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2nccnc2C#N)C[C@H]1C[NH+](C)C ZINC000866012298 615931487 /nfs/dbraw/zinc/93/14/87/615931487.db2.gz XCZYWQJBEHZQJX-CHWSQXEVSA-N 2 0 288.399 0.524 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1C[NH+](C)C ZINC000866011211 615931521 /nfs/dbraw/zinc/93/15/21/615931521.db2.gz WOQMHCKNQNRKIM-CHWSQXEVSA-N 2 0 288.399 0.524 20 30 CCEDRP C[NH+](C)C[C@]1(O)CCCN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886273568 615952309 /nfs/dbraw/zinc/95/23/09/615952309.db2.gz BYKMKZAOTWEMEY-GDBMZVCRSA-N 2 0 295.427 0.820 20 30 CCEDRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194310 615957535 /nfs/dbraw/zinc/95/75/35/615957535.db2.gz DJRKCFFXJCUTTR-MNOVXSKESA-N 2 0 278.381 0.651 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852861495 615973610 /nfs/dbraw/zinc/97/36/10/615973610.db2.gz WGWFWPNZDLUZFT-AWEZNQCLSA-N 2 0 263.385 0.446 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852885750 615991742 /nfs/dbraw/zinc/99/17/42/615991742.db2.gz YYYRFSVKIVXPOP-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C[N@H+](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)CC(C)(C)C ZINC000876801519 616048805 /nfs/dbraw/zinc/04/88/05/616048805.db2.gz DXSIKAPGSBEOOJ-WDEREUQCSA-N 2 0 252.362 0.192 20 30 CCEDRP C[NH+]1CCC(C[NH2+]C2CCN(CC#N)CC2)CC1 ZINC000892908833 616170392 /nfs/dbraw/zinc/17/03/92/616170392.db2.gz HJVBFQLOPYACDE-UHFFFAOYSA-N 2 0 250.390 0.906 20 30 CCEDRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867966975 617048306 /nfs/dbraw/zinc/04/83/06/617048306.db2.gz WMNQBASOFBQZJM-UKRRQHHQSA-N 2 0 284.363 0.565 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157369363 622970321 /nfs/dbraw/zinc/97/03/21/622970321.db2.gz BPMCSHZZKZFJNA-LLVKDONJSA-N 2 0 283.420 0.147 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001020026614 623970115 /nfs/dbraw/zinc/97/01/15/623970115.db2.gz ZRBOJEPAWPEIBH-JHJVBQTASA-N 2 0 251.374 0.894 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350485 650075433 /nfs/dbraw/zinc/07/54/33/650075433.db2.gz QPXAVUXZLZWUCJ-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCF)[C@@H]2C)CC1 ZINC000987567342 632881882 /nfs/dbraw/zinc/88/18/82/632881882.db2.gz FDPIWVAPHQEPRH-ZFWWWQNUSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cnc2C)C1 ZINC000989727882 633350120 /nfs/dbraw/zinc/35/01/20/633350120.db2.gz WUDVVBJNVJNLTH-JQWIXIFHSA-N 2 0 260.341 0.473 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797168 633356129 /nfs/dbraw/zinc/35/61/29/633356129.db2.gz WILHGZOBZUZNFU-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559779 638822558 /nfs/dbraw/zinc/82/25/58/638822558.db2.gz FCSDZVSFUMUCMH-OAHLLOKOSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014482495 650455909 /nfs/dbraw/zinc/45/59/09/650455909.db2.gz GNYVGQTZIRIUBU-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001000923567 639196383 /nfs/dbraw/zinc/19/63/83/639196383.db2.gz BWZJYPKMKUTRFV-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000834484946 642575788 /nfs/dbraw/zinc/57/57/88/642575788.db2.gz PTMKJTHGTFAUFZ-OLZOCXBDSA-N 2 0 256.309 0.131 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000834484945 642576308 /nfs/dbraw/zinc/57/63/08/642576308.db2.gz PTMKJTHGTFAUFZ-CHWSQXEVSA-N 2 0 256.309 0.131 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000841849742 642843270 /nfs/dbraw/zinc/84/32/70/642843270.db2.gz JNZXHAZNMNTZJV-PPCPHDFISA-N 2 0 262.357 0.135 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848429184 643636850 /nfs/dbraw/zinc/63/68/50/643636850.db2.gz MJTMBCNAWFREHQ-GXTWGEPZSA-N 2 0 264.373 0.752 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018617447 650884677 /nfs/dbraw/zinc/88/46/77/650884677.db2.gz VNGORXYUEVZCOC-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000867927379 645683950 /nfs/dbraw/zinc/68/39/50/645683950.db2.gz FOJLSRSSLWMYME-UKRRQHHQSA-N 2 0 284.363 0.695 20 30 CCEDRP C[C@@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876786469 646663913 /nfs/dbraw/zinc/66/39/13/646663913.db2.gz IJUSNORYFCHITI-HZMBPMFUSA-N 2 0 272.352 0.456 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)[NH2+]1 ZINC000884029924 647617878 /nfs/dbraw/zinc/61/78/78/647617878.db2.gz AMMQLSYRFBKXMC-CZAVRGAYSA-N 2 0 276.384 0.335 20 30 CCEDRP C[C@@H]1[NH2+]CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]1C ZINC000884272330 647690683 /nfs/dbraw/zinc/69/06/83/647690683.db2.gz UXFYFMOKICCHOU-NHTUMMBNSA-N 2 0 276.384 0.335 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249880176 649753533 /nfs/dbraw/zinc/75/35/33/649753533.db2.gz NGACMPMYRZBVDV-CHWSQXEVSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303359110 649816480 /nfs/dbraw/zinc/81/64/80/649816480.db2.gz ASXUFNYBJUPPHL-CYBMUJFWSA-N 2 0 269.437 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)nc1 ZINC000303780129 649824972 /nfs/dbraw/zinc/82/49/72/649824972.db2.gz LBPJASMJSDJUNO-CYBMUJFWSA-N 2 0 291.399 0.979 20 30 CCEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)C[NH+]1CCN(C)CC1 ZINC000303869773 649825811 /nfs/dbraw/zinc/82/58/11/649825811.db2.gz FCRPOURHCBLYCH-CYBMUJFWSA-N 2 0 281.448 0.574 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000303882323 649826259 /nfs/dbraw/zinc/82/62/59/649826259.db2.gz LHWODMXLTVJKKQ-KGLIPLIRSA-N 2 0 281.448 0.715 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000303971841 649827218 /nfs/dbraw/zinc/82/72/18/649827218.db2.gz FEIBIBMANSEEED-LLVKDONJSA-N 2 0 256.394 0.800 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001266381189 790616176 /nfs/dbraw/zinc/61/61/76/790616176.db2.gz YJOZDPCCMKEKAI-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266439752 790709122 /nfs/dbraw/zinc/70/91/22/790709122.db2.gz WBHCTRQFKNMNPH-CHWSQXEVSA-N 2 0 253.390 0.997 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533792 790887418 /nfs/dbraw/zinc/88/74/18/790887418.db2.gz QPYBNPJAXVAMSU-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266915360 791342041 /nfs/dbraw/zinc/34/20/41/791342041.db2.gz GIQSPSWSTSMHHM-JXQTWKCFSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561101 791476122 /nfs/dbraw/zinc/47/61/22/791476122.db2.gz RLHSYOTYBFNAGR-AWEZNQCLSA-N 2 0 295.427 0.409 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065298 791492790 /nfs/dbraw/zinc/49/27/90/791492790.db2.gz SADHZYORMUABMJ-CYBMUJFWSA-N 2 0 263.385 0.706 20 30 CCEDRP C=CC[NH2+]CCN1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037015 806531650 /nfs/dbraw/zinc/53/16/50/806531650.db2.gz CIEBIABIIRWSQB-UKRRQHHQSA-N 2 0 281.400 0.237 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CCN(CC[NH3+])CC1 ZINC001236434592 806591023 /nfs/dbraw/zinc/59/10/23/806591023.db2.gz UUEMYXNXBICTFX-UHFFFAOYSA-N 2 0 252.406 0.237 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001121922250 799094743 /nfs/dbraw/zinc/09/47/43/799094743.db2.gz XWGANZSUSXGBGM-WFASDCNBSA-N 2 0 263.385 0.753 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001121929240 799096918 /nfs/dbraw/zinc/09/69/18/799096918.db2.gz ZVWXRPZVGZLNRW-HNNXBMFYSA-N 2 0 296.459 0.814 20 30 CCEDRP CN(C)c1cc[nH+]c(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC001122150445 799155725 /nfs/dbraw/zinc/15/57/25/799155725.db2.gz AEPPXSVSSJJZGS-ZDUSSCGKSA-N 2 0 275.356 0.785 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122272669 799184250 /nfs/dbraw/zinc/18/42/50/799184250.db2.gz PIBGAJMFERJUOQ-YRGRVCCFSA-N 2 0 264.373 0.656 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122272668 799184419 /nfs/dbraw/zinc/18/44/19/799184419.db2.gz PIBGAJMFERJUOQ-OUCADQQQSA-N 2 0 264.373 0.656 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004959 800890730 /nfs/dbraw/zinc/89/07/30/800890730.db2.gz AIGAVBCVWWYCBX-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP CC1([NH3+])CN(C(=O)[C@@H]2C[C@@H](Cc3ccccc3C#N)C[NH2+]2)C1 ZINC001157644746 801445950 /nfs/dbraw/zinc/44/59/50/801445950.db2.gz XPTKKEYJPAZKHJ-DOMZBBRYSA-N 2 0 298.390 0.638 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187580 801586230 /nfs/dbraw/zinc/58/62/30/801586230.db2.gz XFRLLQBCKZBLHH-WMEQCIOUSA-N 2 0 284.363 0.378 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196015 801588296 /nfs/dbraw/zinc/58/82/96/801588296.db2.gz HRLMVCZECWWQSU-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421215 801641438 /nfs/dbraw/zinc/64/14/38/801641438.db2.gz CXBUZBDFGMKUNG-SOUVJXGZSA-N 2 0 284.363 0.391 20 30 CCEDRP N#Cc1c2c(cnc1N1C[C@H]([NH3+])C3(COC3)C1)C[NH2+]CCC2 ZINC001158765233 801702274 /nfs/dbraw/zinc/70/22/74/801702274.db2.gz WQSGVJXJJDRKPU-AWEZNQCLSA-N 2 0 299.378 0.153 20 30 CCEDRP N#C[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160637822 801985961 /nfs/dbraw/zinc/98/59/61/801985961.db2.gz UGNXNWOENTWUFU-NWDGAFQWSA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160667892 801993918 /nfs/dbraw/zinc/99/39/18/801993918.db2.gz NDSCBHHENDVDDG-CYBMUJFWSA-N 2 0 260.341 0.605 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951321 802052731 /nfs/dbraw/zinc/05/27/31/802052731.db2.gz HBPPIGFOMKSMOF-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C[C@H](C#N)N(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161144134 802100861 /nfs/dbraw/zinc/10/08/61/802100861.db2.gz IIWZTJNIVGGGJF-GHMZBOCLSA-N 2 0 250.346 0.231 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cncc(C#N)n1 ZINC001163122458 802488026 /nfs/dbraw/zinc/48/80/26/802488026.db2.gz LPYASHABQKQRSZ-UHFFFAOYSA-N 2 0 261.333 0.626 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[C@@H]3[NH2+]CC[C@H]31)C[NH2+]CCC2 ZINC001165299037 802819386 /nfs/dbraw/zinc/81/93/86/802819386.db2.gz WBGXXQXHYJGOQV-LSDHHAIUSA-N 2 0 283.379 0.930 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166678190 802937456 /nfs/dbraw/zinc/93/74/56/802937456.db2.gz UVUHVEZYQUOCLP-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166930661 802981919 /nfs/dbraw/zinc/98/19/19/802981919.db2.gz LJJYHRRWENRUMK-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028538322 812829094 /nfs/dbraw/zinc/82/90/94/812829094.db2.gz BMKLEAWGWVNTOA-ZBFHGGJFSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699332 803042380 /nfs/dbraw/zinc/04/23/80/803042380.db2.gz IMFCTGLZNWMVPJ-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207683923 803437924 /nfs/dbraw/zinc/43/79/24/803437924.db2.gz IEKCLIHSYGGNOX-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213767347 803702925 /nfs/dbraw/zinc/70/29/25/803702925.db2.gz OUWUSBQJXROLCC-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335874 803735331 /nfs/dbraw/zinc/73/53/31/803735331.db2.gz LRSFNPQFEUUXKE-KFWWJZLASA-N 2 0 293.411 0.167 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540648 803819608 /nfs/dbraw/zinc/81/96/08/803819608.db2.gz PAFOSELXHPOIAX-RRFJBIMHSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217388 803836336 /nfs/dbraw/zinc/83/63/36/803836336.db2.gz UDQMJRJIKRFBGS-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#Cc1cc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)ccn1 ZINC001218520220 803982710 /nfs/dbraw/zinc/98/27/10/803982710.db2.gz MFPIPCYIAYAIKN-CQSZACIVSA-N 2 0 284.363 0.298 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218558308 804003685 /nfs/dbraw/zinc/00/36/85/804003685.db2.gz XTHDFNITQUTEHO-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218604722 804032264 /nfs/dbraw/zinc/03/22/64/804032264.db2.gz GPDHJSNMSKAVBA-MRVPVSSYSA-N 2 0 296.352 0.411 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218660744 804069798 /nfs/dbraw/zinc/06/97/98/804069798.db2.gz RFBPYHAXHXXLOJ-JTQLQIEISA-N 2 0 293.375 0.055 20 30 CCEDRP Cn1cc(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(C#N)n1 ZINC001218668977 804075270 /nfs/dbraw/zinc/07/52/70/804075270.db2.gz VNOCOVFZUPGURD-JTQLQIEISA-N 2 0 278.360 0.289 20 30 CCEDRP N#Cc1c(F)ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1F ZINC001218914072 804155804 /nfs/dbraw/zinc/15/58/04/804155804.db2.gz PPUHWVXHYOOISN-SECBINFHSA-N 2 0 268.267 0.841 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(C#N)c1 ZINC001219394013 804299219 /nfs/dbraw/zinc/29/92/19/804299219.db2.gz VLZDTKNUKKVEON-LBPRGKRZSA-N 2 0 271.324 0.825 20 30 CCEDRP C#CC[C@]1(C(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)CCC[NH2+]1 ZINC001219611328 804374038 /nfs/dbraw/zinc/37/40/38/804374038.db2.gz XWZRXKIEOSUPAD-VXGBXAGGSA-N 2 0 289.301 0.543 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805471 804425422 /nfs/dbraw/zinc/42/54/22/804425422.db2.gz JQURJRMEKAAAQP-RDBSUJKOSA-N 2 0 281.400 0.064 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220701260 804651569 /nfs/dbraw/zinc/65/15/69/804651569.db2.gz YVOBNQBBKJKQKY-RYUDHWBXSA-N 2 0 252.362 0.368 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001272152166 815030894 /nfs/dbraw/zinc/03/08/94/815030894.db2.gz QHUQBCIECRGAFC-ZDUSSCGKSA-N 2 0 251.374 0.352 20 30 CCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886785 804691149 /nfs/dbraw/zinc/69/11/49/804691149.db2.gz MUUWYLVBCVSDLI-BMFZPTHFSA-N 2 0 298.390 0.729 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccc(C#N)nc1 ZINC001221089948 804727958 /nfs/dbraw/zinc/72/79/58/804727958.db2.gz YAOXNOFWNDNLCT-ZDUSSCGKSA-N 2 0 275.356 0.286 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123634 804733816 /nfs/dbraw/zinc/73/38/16/804733816.db2.gz CWSCZRJDXDABOQ-AWEZNQCLSA-N 2 0 272.352 0.127 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221292096 804767832 /nfs/dbraw/zinc/76/78/32/804767832.db2.gz FOSBBEHGPJACRH-VHDGCEQUSA-N 2 0 278.400 0.630 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221332926 804780025 /nfs/dbraw/zinc/78/00/25/804780025.db2.gz OMCCLATVWFSXHD-ZFWWWQNUSA-N 2 0 257.337 0.249 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001272181921 815039976 /nfs/dbraw/zinc/03/99/76/815039976.db2.gz LGDFBTZXGKPGDF-UHFFFAOYSA-N 2 0 269.389 0.067 20 30 CCEDRP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)nc1 ZINC001222095664 804868563 /nfs/dbraw/zinc/86/85/63/804868563.db2.gz XYXCBFHFGXMKKR-UHFFFAOYSA-N 2 0 271.368 0.481 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980653 815041866 /nfs/dbraw/zinc/04/18/66/815041866.db2.gz ABSVPZDTSYXVHL-MOKVOYLWSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001224521960 805044286 /nfs/dbraw/zinc/04/42/86/805044286.db2.gz DWDCWIVZTNILGI-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225578571 805141899 /nfs/dbraw/zinc/14/18/99/805141899.db2.gz XTQNQMRHYODXRY-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277148373 805276264 /nfs/dbraw/zinc/27/62/64/805276264.db2.gz OMOVUWCSNCOIOI-LSDHHAIUSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001227818658 805394221 /nfs/dbraw/zinc/39/42/21/805394221.db2.gz ZGLFDCAFCYCRQY-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229908003 805565713 /nfs/dbraw/zinc/56/57/13/805565713.db2.gz DJTDUXINCKYWDE-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246020802 807120250 /nfs/dbraw/zinc/12/02/50/807120250.db2.gz PUBCGFBGWNQGLA-RYUDHWBXSA-N 2 0 257.378 0.147 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246021450 807120397 /nfs/dbraw/zinc/12/03/97/807120397.db2.gz MOXLXMJVUCQPAI-ZIAGYGMSSA-N 2 0 254.374 0.448 20 30 CCEDRP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001278572269 807601485 /nfs/dbraw/zinc/60/14/85/807601485.db2.gz MNQITFSUQXTHMG-INIZCTEOSA-N 2 0 289.423 0.934 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001251634699 807690912 /nfs/dbraw/zinc/69/09/12/807690912.db2.gz IFAVMPJAFKDHEG-BFHYXJOUSA-N 2 0 278.400 0.191 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001251880916 807732118 /nfs/dbraw/zinc/73/21/18/807732118.db2.gz KELAXOXQBQTGGH-INIZCTEOSA-N 2 0 276.380 0.849 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251891486 807737790 /nfs/dbraw/zinc/73/77/90/807737790.db2.gz UDRIJYFGWWKBNP-XGUBFFRZSA-N 2 0 266.385 0.602 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001251906736 807745015 /nfs/dbraw/zinc/74/50/15/807745015.db2.gz LGRWRQLKJFGWPE-NRXISQOPSA-N 2 0 268.401 0.707 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252468214 807878863 /nfs/dbraw/zinc/87/88/63/807878863.db2.gz LSXCVDJSBYFQIZ-OAHLLOKOSA-N 2 0 285.432 0.119 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252481678 807887576 /nfs/dbraw/zinc/88/75/76/807887576.db2.gz FOVMZXJOVSWTJP-CQSZACIVSA-N 2 0 285.432 0.166 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001253581561 808087294 /nfs/dbraw/zinc/08/72/94/808087294.db2.gz IZAQHCLFURJTBI-MELADBBJSA-N 2 0 253.390 0.244 20 30 CCEDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667544 808271149 /nfs/dbraw/zinc/27/11/49/808271149.db2.gz BKWITBUKZXMHCQ-KGLIPLIRSA-N 2 0 250.390 0.858 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001278839763 808314541 /nfs/dbraw/zinc/31/45/41/808314541.db2.gz UCUOYMPKODZXDS-HNNXBMFYSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001278889556 808434050 /nfs/dbraw/zinc/43/40/50/808434050.db2.gz YJWTZNLYUVGFCC-ZDUSSCGKSA-N 2 0 271.405 0.264 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC001261495011 808997156 /nfs/dbraw/zinc/99/71/56/808997156.db2.gz NMPXOEKSQUHVMC-ZDUSSCGKSA-N 2 0 290.371 0.767 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001261527081 809009631 /nfs/dbraw/zinc/00/96/31/809009631.db2.gz FYYVZDPYOFYJGN-CYBMUJFWSA-N 2 0 268.405 0.032 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263168834 809468279 /nfs/dbraw/zinc/46/82/79/809468279.db2.gz XXJSDJJRKUVSFM-CHWSQXEVSA-N 2 0 269.389 0.243 20 30 CCEDRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001263253970 809496805 /nfs/dbraw/zinc/49/68/05/809496805.db2.gz YDJRABWABXHUMG-OLZOCXBDSA-N 2 0 282.388 0.235 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263878393 809596829 /nfs/dbraw/zinc/59/68/29/809596829.db2.gz WEAPASRBNCMKFQ-RBSFLKMASA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001263879560 809597028 /nfs/dbraw/zinc/59/70/28/809597028.db2.gz ZYZYOMUGXWMNCI-RBSFLKMASA-N 2 0 293.411 0.072 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CC ZINC001264067427 809627090 /nfs/dbraw/zinc/62/70/90/809627090.db2.gz CIDRNFDNBNWGLK-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264078376 809628523 /nfs/dbraw/zinc/62/85/23/809628523.db2.gz JBAUYWOQBVRKIQ-CQSZACIVSA-N 2 0 283.416 0.409 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264408812 809652929 /nfs/dbraw/zinc/65/29/29/809652929.db2.gz VSHNMEVPTNVSEY-FRRDWIJNSA-N 2 0 251.374 0.444 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265436557 809779093 /nfs/dbraw/zinc/77/90/93/809779093.db2.gz KDLOOZMOCGWSNS-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001265557741 809804114 /nfs/dbraw/zinc/80/41/14/809804114.db2.gz DOPXZBCINRGWPS-MJBXVCDLSA-N 2 0 281.400 0.213 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265939893 809900489 /nfs/dbraw/zinc/90/04/89/809900489.db2.gz BLZNAMNQATZSMV-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266120437 809938401 /nfs/dbraw/zinc/93/84/01/809938401.db2.gz ZCGKAEBWQVMHER-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001266148392 809948034 /nfs/dbraw/zinc/94/80/34/809948034.db2.gz AEYFASFIAFDHBJ-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266191709 809959189 /nfs/dbraw/zinc/95/91/89/809959189.db2.gz IBFBYTPKIDHALY-CYBMUJFWSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CC2)CC1 ZINC001267472961 811355508 /nfs/dbraw/zinc/35/55/08/811355508.db2.gz CYSWBCASJCGWSD-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(C#N)ccn1 ZINC001218504814 811574867 /nfs/dbraw/zinc/57/48/67/811574867.db2.gz UGIMKCFRGAGVCE-NSHDSACASA-N 2 0 261.329 0.609 20 30 CCEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001267849432 811833205 /nfs/dbraw/zinc/83/32/05/811833205.db2.gz PFYZLEHFAGGJNR-ZBFHGGJFSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC ZINC001267970131 811905243 /nfs/dbraw/zinc/90/52/43/811905243.db2.gz JMYRJQHIRRVLFZ-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001267989919 811929968 /nfs/dbraw/zinc/92/99/68/811929968.db2.gz OWPMFWOBAFPEHU-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027893973 812125818 /nfs/dbraw/zinc/12/58/18/812125818.db2.gz HRBHAUQBKQZOEL-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP COc1ccc(NC(=[NH2+])NCCCC[NH3+])nc1CC#N ZINC001167880594 812399114 /nfs/dbraw/zinc/39/91/14/812399114.db2.gz QPMDUAQWBJDKLP-UHFFFAOYSA-N 2 0 276.344 0.831 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268305677 812469758 /nfs/dbraw/zinc/46/97/58/812469758.db2.gz SQDWKFMAZGIPJA-CABCVRRESA-N 2 0 297.443 0.892 20 30 CCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268399492 812544993 /nfs/dbraw/zinc/54/49/93/812544993.db2.gz HRVRAXNQVPJJQL-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268541689 812783237 /nfs/dbraw/zinc/78/32/37/812783237.db2.gz HLYNJNLBRRXWFN-ZYDHHDLOSA-N 2 0 293.411 0.238 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549993 812829497 /nfs/dbraw/zinc/82/94/97/812829497.db2.gz DSEUPZHPTPHVPC-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549597 812830534 /nfs/dbraw/zinc/83/05/34/812830534.db2.gz RZGPVXWXWAGQGL-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268590009 812877988 /nfs/dbraw/zinc/87/79/88/812877988.db2.gz BOARTECLLBRZPG-VBROQKIQSA-N 2 0 263.385 0.614 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628940 813004567 /nfs/dbraw/zinc/00/45/67/813004567.db2.gz BWZFPRPSKKMENU-HZSPNIEDSA-N 2 0 281.400 0.330 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268701959 813022994 /nfs/dbraw/zinc/02/29/94/813022994.db2.gz NLFIIRQYOFOHND-LBPRGKRZSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001269502348 813394602 /nfs/dbraw/zinc/39/46/02/813394602.db2.gz XFVZLFVGBGIPCV-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269535618 813406753 /nfs/dbraw/zinc/40/67/53/813406753.db2.gz TWIVLTCMEPHUPF-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776257 813486315 /nfs/dbraw/zinc/48/63/15/813486315.db2.gz JTJXYGVLLMERGJ-ZDUSSCGKSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001106370849 816751204 /nfs/dbraw/zinc/75/12/04/816751204.db2.gz CJRJTJREROMDTE-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031858889 817422562 /nfs/dbraw/zinc/42/25/62/817422562.db2.gz KIKFIPZZNJTKHR-UGWHAMFMSA-N 2 0 291.395 0.084 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785559 817868115 /nfs/dbraw/zinc/86/81/15/817868115.db2.gz NAPKZIBIXBKNDD-CHWSQXEVSA-N 2 0 267.373 0.132 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128783081 819008213 /nfs/dbraw/zinc/00/82/13/819008213.db2.gz FDGJREYSTSHOKE-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCN1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014275 819031377 /nfs/dbraw/zinc/03/13/77/819031377.db2.gz VZVWAEMZZWWGNO-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001034148846 819098414 /nfs/dbraw/zinc/09/84/14/819098414.db2.gz PBYOTHVMTVJEQI-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001034675035 819282375 /nfs/dbraw/zinc/28/23/75/819282375.db2.gz NDDNLAJWCIFVOL-KBUPBQIOSA-N 2 0 295.427 0.909 20 30 CCEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035259548 819426533 /nfs/dbraw/zinc/42/65/33/819426533.db2.gz XOFWZGQYKLAWFS-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035313023 819462644 /nfs/dbraw/zinc/46/26/44/819462644.db2.gz LWZFZVGJYRHTET-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710659212 819859929 /nfs/dbraw/zinc/85/99/29/819859929.db2.gz VAXZPSSVGUOINK-GFCCVEGCSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CCN1CC[C@]2(CC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144427 819896056 /nfs/dbraw/zinc/89/60/56/819896056.db2.gz PUVLHYTTYJVXGV-RDJZCZTQSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082941823 821067202 /nfs/dbraw/zinc/06/72/02/821067202.db2.gz NXUSGWOBSKQIIT-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778454 821391052 /nfs/dbraw/zinc/39/10/52/821391052.db2.gz XRTJTHGETQCTAR-HUUCEWRRSA-N 2 0 287.407 0.638 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC)C2)CC1 ZINC001086278380 822185685 /nfs/dbraw/zinc/18/56/85/822185685.db2.gz TXQJOGVMLRXAMI-OTVXOJSOSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086365228 822226440 /nfs/dbraw/zinc/22/64/40/822226440.db2.gz JHOHKKUZDBVSBE-KLHDSHLOSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 ZINC001114093873 837435292 /nfs/dbraw/zinc/43/52/92/837435292.db2.gz WOJMMBXPUXIEAD-LJISPDSOSA-N 2 0 293.411 0.330 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130478222 837801767 /nfs/dbraw/zinc/80/17/67/837801767.db2.gz WDZLFSXOFCBPLZ-LBPRGKRZSA-N 2 0 262.357 0.727 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437649 844021811 /nfs/dbraw/zinc/02/18/11/844021811.db2.gz ZIGMOLLDVHNVHY-CABCVRRESA-N 2 0 295.427 0.413 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001086557698 836907513 /nfs/dbraw/zinc/90/75/13/836907513.db2.gz BNQRVHKZNXAGDR-KOMQPUFPSA-N 2 0 287.407 0.449 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170223957 837271270 /nfs/dbraw/zinc/27/12/70/837271270.db2.gz ZQVHDUBTLLVZMA-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805758 837929996 /nfs/dbraw/zinc/92/99/96/837929996.db2.gz LNJOSXLQMNNLMO-UHFFFAOYSA-N 2 0 251.374 0.897 20 30 CCEDRP C=CC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132424315 838389698 /nfs/dbraw/zinc/38/96/98/838389698.db2.gz FBHFWEYAOPNXFG-UONOGXRCSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132436607 838399623 /nfs/dbraw/zinc/39/96/23/838399623.db2.gz MXYRJGRSELONHQ-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133823678 838726961 /nfs/dbraw/zinc/72/69/61/838726961.db2.gz LZGWFGWFKBYTOP-ZDUSSCGKSA-N 2 0 269.389 0.379 20 30 CCEDRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870614 838751417 /nfs/dbraw/zinc/75/14/17/838751417.db2.gz UXNQXLBFLFJXMB-WBVHZDCISA-N 2 0 299.418 0.942 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133905960 838771798 /nfs/dbraw/zinc/77/17/98/838771798.db2.gz KZGDEDFZCQQFGJ-UHFFFAOYSA-N 2 0 253.390 0.693 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021366 838818946 /nfs/dbraw/zinc/81/89/46/838818946.db2.gz ZPSCGXKDKUCGFL-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923127 839472067 /nfs/dbraw/zinc/47/20/67/839472067.db2.gz HMQADOGFMZTIDO-UONOGXRCSA-N 2 0 283.416 0.461 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H](O)C1 ZINC001090763417 839785727 /nfs/dbraw/zinc/78/57/27/839785727.db2.gz HYXLMIPSEWAVFT-GXTWGEPZSA-N 2 0 292.383 0.388 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091036097 839995329 /nfs/dbraw/zinc/99/53/29/839995329.db2.gz SLTLZUUUWLXBPE-BLYZHGLHSA-N 2 0 263.385 0.444 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333367 840555789 /nfs/dbraw/zinc/55/57/89/840555789.db2.gz KDTZRVCLENHMIY-UHFFFAOYSA-N 2 0 263.385 0.447 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578811 841737648 /nfs/dbraw/zinc/73/76/48/841737648.db2.gz JDOVBJGLDJZZGS-UHFFFAOYSA-N 2 0 253.390 0.838 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176846126 842446158 /nfs/dbraw/zinc/44/61/58/842446158.db2.gz ZFYVEHXWZPCDFB-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177332686 842548653 /nfs/dbraw/zinc/54/86/53/842548653.db2.gz PZEBCRFCJILFJO-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001179861002 843074803 /nfs/dbraw/zinc/07/48/03/843074803.db2.gz HEGMUWAUCVDYTD-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933822 843083568 /nfs/dbraw/zinc/08/35/68/843083568.db2.gz LHDPWVBZKJHJKP-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179929815 843083875 /nfs/dbraw/zinc/08/38/75/843083875.db2.gz WDKMVRZGHIQTFC-STQMWFEESA-N 2 0 269.389 0.330 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180270377 843137622 /nfs/dbraw/zinc/13/76/22/843137622.db2.gz SFTAZNFSCSWFNJ-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001181009268 843372148 /nfs/dbraw/zinc/37/21/48/843372148.db2.gz UHBJPGQLHHYUAK-IJEWVQPXSA-N 2 0 295.427 0.577 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001183080641 843960251 /nfs/dbraw/zinc/96/02/51/843960251.db2.gz WBYZUTXVSYYODO-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106422 844645445 /nfs/dbraw/zinc/64/54/45/844645445.db2.gz GVMRTBOCWMOALS-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194009453 846195707 /nfs/dbraw/zinc/19/57/07/846195707.db2.gz DFEGNWSITHDBQT-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057564 846834873 /nfs/dbraw/zinc/83/48/73/846834873.db2.gz DVHFLGZDNDJSFD-RRFJBIMHSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001251891288 847353095 /nfs/dbraw/zinc/35/30/95/847353095.db2.gz PZHZWEBHLZZDPQ-CQSZACIVSA-N 2 0 254.374 0.463 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200122922 847554884 /nfs/dbraw/zinc/55/48/84/847554884.db2.gz JVBHTPGCSVSISF-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115162067 847709079 /nfs/dbraw/zinc/70/90/79/847709079.db2.gz RRZKBPHWMDMIJO-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001273883576 847731301 /nfs/dbraw/zinc/73/13/01/847731301.db2.gz CKJPGDYSJQWHGB-OAHLLOKOSA-N 2 0 295.427 0.600 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201482516 847788199 /nfs/dbraw/zinc/78/81/99/847788199.db2.gz JEIWQRZZTALOBT-CQSZACIVSA-N 2 0 292.383 0.735 20 30 CCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001273929176 847859506 /nfs/dbraw/zinc/85/95/06/847859506.db2.gz HTYJVWJSRCHRCR-MRXNPFEDSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202164983 847862222 /nfs/dbraw/zinc/86/22/22/847862222.db2.gz NULLNHOGHRUTOM-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252616107 848038930 /nfs/dbraw/zinc/03/89/30/848038930.db2.gz KCOLFSFMFDYSQD-OAHLLOKOSA-N 2 0 269.433 0.929 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410052 848050804 /nfs/dbraw/zinc/05/08/04/848050804.db2.gz SHBIJWIMVFUDQS-ZOBORPQBSA-N 2 0 261.369 0.006 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408848 848050282 /nfs/dbraw/zinc/05/02/82/848050282.db2.gz BIIUWEDEKBAACF-DGAVXFQQSA-N 2 0 263.385 0.559 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114426537 848056256 /nfs/dbraw/zinc/05/62/56/848056256.db2.gz OQUSNECTMNGXBU-AIANPOQGSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001274014491 848302928 /nfs/dbraw/zinc/30/29/28/848302928.db2.gz XHOYETAFJRKGIC-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001274297861 848444007 /nfs/dbraw/zinc/44/40/07/848444007.db2.gz LLSSUTFXEUXYEZ-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CCCC[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001274964617 848601521 /nfs/dbraw/zinc/60/15/21/848601521.db2.gz QVSNSPSMYDYLOS-GASCZTMLSA-N 2 0 267.417 0.899 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275039720 848618509 /nfs/dbraw/zinc/61/85/09/848618509.db2.gz XBTZKHBUHYTONS-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281415 849150001 /nfs/dbraw/zinc/15/00/01/849150001.db2.gz QYXHMBUCXFFGPY-KFWWJZLASA-N 2 0 295.427 0.862 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C[N@@H+](C)CCC ZINC001276340448 849431126 /nfs/dbraw/zinc/43/11/26/849431126.db2.gz UCTJRYHGNXCDET-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001038632612 849746157 /nfs/dbraw/zinc/74/61/57/849746157.db2.gz YVZPMGSXSZNYSF-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038269784 849834453 /nfs/dbraw/zinc/83/44/53/849834453.db2.gz QJIKLJHFAMAZNO-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC)CC1 ZINC001039042605 850136857 /nfs/dbraw/zinc/13/68/57/850136857.db2.gz UQMAKZMHFHDJPX-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041831673 850509849 /nfs/dbraw/zinc/50/98/49/850509849.db2.gz PDWVZCPMPKETKL-NVXWUHKLSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897090 852102161 /nfs/dbraw/zinc/10/21/61/852102161.db2.gz PQHYYPPYTACCOA-ZNMIVQPWSA-N 2 0 275.396 0.494 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056967 852148883 /nfs/dbraw/zinc/14/88/83/852148883.db2.gz FQICIMYLXJZDKG-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)CC1 ZINC001049235448 852201744 /nfs/dbraw/zinc/20/17/44/852201744.db2.gz PMKIGNJOGYSSHZ-IYBDPMFKSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847615 852385483 /nfs/dbraw/zinc/38/54/83/852385483.db2.gz YBPYOHZLUKMEJO-HUUCEWRRSA-N 2 0 287.407 0.781 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001052713210 852645135 /nfs/dbraw/zinc/64/51/35/852645135.db2.gz SXBFBDCFJHEGTR-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054748515 853006423 /nfs/dbraw/zinc/00/64/23/853006423.db2.gz NOJCRYQLFBKDRX-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001054789672 853015013 /nfs/dbraw/zinc/01/50/13/853015013.db2.gz GBSQRCFRWZIPMQ-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994294 854331245 /nfs/dbraw/zinc/33/12/45/854331245.db2.gz DVIMTPRPGHERRF-ZIAGYGMSSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001072991634 854509166 /nfs/dbraw/zinc/50/91/66/854509166.db2.gz YSGGMHKYZBHSKG-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555079 854593036 /nfs/dbraw/zinc/59/30/36/854593036.db2.gz VALGAJJACDPYCQ-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001073610851 854614355 /nfs/dbraw/zinc/61/43/55/854614355.db2.gz GCPZAHSQHXHUHP-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100009537 855070217 /nfs/dbraw/zinc/07/02/17/855070217.db2.gz ZXADPQHESUCAFF-KBPBESRZSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100066333 855090668 /nfs/dbraw/zinc/09/06/68/855090668.db2.gz HCYYMTKYJWWZRF-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131995 855104707 /nfs/dbraw/zinc/10/47/07/855104707.db2.gz LWDUKDYPDPIWKJ-CHWSQXEVSA-N 2 0 269.389 0.064 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100187899 855113730 /nfs/dbraw/zinc/11/37/30/855113730.db2.gz RJRDUFJDOSWMRC-JXQTWKCFSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803796 855227271 /nfs/dbraw/zinc/22/72/71/855227271.db2.gz DKQMANZVTGZTAQ-UHFFFAOYSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829643 855230774 /nfs/dbraw/zinc/23/07/74/855230774.db2.gz DXEQWBWERJEFAQ-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC#CCOC)C[C@H]21 ZINC001115081420 855639641 /nfs/dbraw/zinc/63/96/41/855639641.db2.gz QWDTXDHEHWESKP-FOLVSLTJSA-N 2 0 293.411 0.024 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122997 892196877 /nfs/dbraw/zinc/19/68/77/892196877.db2.gz GBSLLBLIWBMQBS-AWEZNQCLSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481277409 892488568 /nfs/dbraw/zinc/48/85/68/892488568.db2.gz OISCKYNLQWHNFW-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481492682 892740648 /nfs/dbraw/zinc/74/06/48/892740648.db2.gz XKBYOUXTSJLOQB-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001481839690 893204490 /nfs/dbraw/zinc/20/44/90/893204490.db2.gz AIQUXJJNDVXDSQ-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CC[N@@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001482638800 894437524 /nfs/dbraw/zinc/43/75/24/894437524.db2.gz SIVMOVJVUSGOCO-UHFFFAOYSA-N 2 0 283.416 0.673 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482737397 894556154 /nfs/dbraw/zinc/55/61/54/894556154.db2.gz LTKINIRPKMRWMT-LSDHHAIUSA-N 2 0 293.411 0.093 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483240057 895369477 /nfs/dbraw/zinc/36/94/77/895369477.db2.gz LMAZTYKKTQFIPJ-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483406629 895546663 /nfs/dbraw/zinc/54/66/63/895546663.db2.gz CUQKVJVANWPRGT-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH2+]CCN(CCO)C(=O)C[NH+]1CCC(C)CC1 ZINC001484497995 896444869 /nfs/dbraw/zinc/44/48/69/896444869.db2.gz XAWASVRTGZURMD-UHFFFAOYSA-N 2 0 295.427 0.152 20 30 CCEDRP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001484646014 896513932 /nfs/dbraw/zinc/51/39/32/896513932.db2.gz FCRPQVMSKCAJTI-CQSZACIVSA-N 2 0 295.427 0.912 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)CC[N@@H+](C)CC ZINC001485001274 896702177 /nfs/dbraw/zinc/70/21/77/896702177.db2.gz VZAHMIBCHINIPQ-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485101180 896773331 /nfs/dbraw/zinc/77/33/31/896773331.db2.gz OOLQEIKQWDBATB-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001485533356 897113121 /nfs/dbraw/zinc/11/31/21/897113121.db2.gz PXYUOACJPRWASJ-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001485626119 897153712 /nfs/dbraw/zinc/15/37/12/897153712.db2.gz FSQYSKBUYITVAO-QKDCVEJESA-N 2 0 277.412 0.952 20 30 CCEDRP C=CCN1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001108031037 898248170 /nfs/dbraw/zinc/24/81/70/898248170.db2.gz WRFWKDLGXJBXCQ-GOEBONIOSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001485838640 898364069 /nfs/dbraw/zinc/36/40/69/898364069.db2.gz VRIJRBKOSBZQQU-GJZGRUSLSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485929816 898520825 /nfs/dbraw/zinc/52/08/25/898520825.db2.gz FQWNRYQMNWYDLK-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001486093914 898650575 /nfs/dbraw/zinc/65/05/75/898650575.db2.gz RWQZFCLVALNRMG-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001486316644 898777675 /nfs/dbraw/zinc/77/76/75/898777675.db2.gz FZIXWHYCMXMSIM-HNNXBMFYSA-N 2 0 295.427 0.295 20 30 CCEDRP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001486348803 898825948 /nfs/dbraw/zinc/82/59/48/898825948.db2.gz HMUDWXMCFWSVSE-KGLIPLIRSA-N 2 0 283.416 0.101 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001486519783 898920294 /nfs/dbraw/zinc/92/02/94/898920294.db2.gz XLGLFZZRCNBRHK-HNNXBMFYSA-N 2 0 275.396 0.710 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001327020966 914318688 /nfs/dbraw/zinc/31/86/88/914318688.db2.gz RWPCGWOHRMHYPU-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC001326047190 900053458 /nfs/dbraw/zinc/05/34/58/900053458.db2.gz QMXHEKUYITUXPK-MNOVXSKESA-N 2 0 252.362 0.512 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001490700470 900709084 /nfs/dbraw/zinc/70/90/84/900709084.db2.gz LOUHTIYNHGQUPW-AWEZNQCLSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490739666 900713807 /nfs/dbraw/zinc/71/38/07/900713807.db2.gz JRXZVGGUMLYRBK-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+](C)C1CC1 ZINC000884210827 900836905 /nfs/dbraw/zinc/83/69/05/900836905.db2.gz KVTGKFXXHPHJAS-AJAZOQAWSA-N 2 0 290.411 0.725 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001327661335 914687514 /nfs/dbraw/zinc/68/75/14/914687514.db2.gz GSHGZWOCEYCGLL-TUAOUCFPSA-N 2 0 250.346 0.075 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001491023352 903297707 /nfs/dbraw/zinc/29/77/07/903297707.db2.gz QRODVFDJOLVBAU-MJBXVCDLSA-N 2 0 283.391 0.926 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001491469589 903611973 /nfs/dbraw/zinc/61/19/73/903611973.db2.gz JPSCOYBCQUCBQO-CHWSQXEVSA-N 2 0 271.380 0.784 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969712 903846357 /nfs/dbraw/zinc/84/63/57/903846357.db2.gz XMPNIGWRYPILKK-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001280631778 904130364 /nfs/dbraw/zinc/13/03/64/904130364.db2.gz URNNJWVAIQFXDB-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281184435 904239793 /nfs/dbraw/zinc/23/97/93/904239793.db2.gz JXAKBEFEWBHMPG-GOEBONIOSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281509141 904300914 /nfs/dbraw/zinc/30/09/14/904300914.db2.gz UYJMWXTWIGKLMC-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC)CC1 ZINC001282242530 904440096 /nfs/dbraw/zinc/44/00/96/904440096.db2.gz RTPAIBZVAQAJDZ-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001282241469 904441042 /nfs/dbraw/zinc/44/10/42/904441042.db2.gz LYEMYTVMPDKYGN-KBPBESRZSA-N 2 0 275.396 0.448 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283501354 904880983 /nfs/dbraw/zinc/88/09/83/904880983.db2.gz DENXUHTWJZERRV-CVEARBPZSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001283715740 904971425 /nfs/dbraw/zinc/97/14/25/904971425.db2.gz VVJOSCUIGKLVIY-GJZGRUSLSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001491815100 907586110 /nfs/dbraw/zinc/58/61/10/907586110.db2.gz YVYDDRBGHUCENX-HNNXBMFYSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491856511 907608878 /nfs/dbraw/zinc/60/88/78/907608878.db2.gz MUBSVRFPNFTGKF-CQSZACIVSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001317244755 907996760 /nfs/dbraw/zinc/99/67/60/907996760.db2.gz MEMLTULSDPODNF-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001303598983 908106234 /nfs/dbraw/zinc/10/62/34/908106234.db2.gz NDQXXQCZTKPYRT-QWHCGFSZSA-N 2 0 251.374 0.799 20 30 CCEDRP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311397525 908550310 /nfs/dbraw/zinc/55/03/10/908550310.db2.gz FGNBPIZPRXXPFN-HUUCEWRRSA-N 2 0 294.443 0.971 20 30 CCEDRP C#CC[N@@H+](CC)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001316907732 908833418 /nfs/dbraw/zinc/83/34/18/908833418.db2.gz QWHADSURVDDFPR-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001317031879 908930858 /nfs/dbraw/zinc/93/08/58/908930858.db2.gz ZSOGCXBFPSULJZ-CHWSQXEVSA-N 2 0 251.374 0.444 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001317122028 908997766 /nfs/dbraw/zinc/99/77/66/908997766.db2.gz MRNQYCXYKMBXIE-OKILXGFUSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001318445078 909758747 /nfs/dbraw/zinc/75/87/47/909758747.db2.gz JHGMOSYDNYNUJY-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320758583 910844439 /nfs/dbraw/zinc/84/44/39/910844439.db2.gz MEQVDBQCHMMTTQ-ZDUSSCGKSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC#CC)CC1 ZINC001321417770 911286394 /nfs/dbraw/zinc/28/63/94/911286394.db2.gz VBHBEPUWSXCFMQ-VOTSOKGWSA-N 2 0 287.407 0.617 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001321989525 911609664 /nfs/dbraw/zinc/60/96/64/911609664.db2.gz BLWBIFHBRKZCFR-QJPTWQEYSA-N 2 0 260.341 0.251 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001322298223 911752262 /nfs/dbraw/zinc/75/22/62/911752262.db2.gz JVYGHNMVUCJDPK-UONOGXRCSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001323049806 912088420 /nfs/dbraw/zinc/08/84/20/912088420.db2.gz YWGGJOXLSMOOKJ-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001329150577 915707784 /nfs/dbraw/zinc/70/77/84/915707784.db2.gz YTTMUTDMGSZVIV-AWEZNQCLSA-N 2 0 299.415 0.226 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CC)CC1 ZINC001329202596 915740860 /nfs/dbraw/zinc/74/08/60/915740860.db2.gz MIZHZCJBYKKRGG-HUUCEWRRSA-N 2 0 289.423 0.838 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330423527 916623545 /nfs/dbraw/zinc/62/35/45/916623545.db2.gz HGCGSXXKVOCSLO-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330428182 916625216 /nfs/dbraw/zinc/62/52/16/916625216.db2.gz LQKNSISXVMDRCW-OLZOCXBDSA-N 2 0 269.389 0.330 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331004622 917017906 /nfs/dbraw/zinc/01/79/06/917017906.db2.gz GSZHFOJKNITBBG-WDEREUQCSA-N 2 0 288.342 0.759 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001332521756 918250637 /nfs/dbraw/zinc/25/06/37/918250637.db2.gz ITWQEIPHRHRKTO-KBPBESRZSA-N 2 0 283.416 0.005 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332621680 918322278 /nfs/dbraw/zinc/32/22/78/918322278.db2.gz VLIUBIPWHQBTFP-CABCVRRESA-N 2 0 297.443 0.798 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC001333748345 919135201 /nfs/dbraw/zinc/13/52/01/919135201.db2.gz CVYIZWSNCFSFLA-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC001335350724 920137291 /nfs/dbraw/zinc/13/72/91/920137291.db2.gz IPMRFNVKBIAUON-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340231980 922017852 /nfs/dbraw/zinc/01/78/52/922017852.db2.gz CMEDDZMADOJVMT-HNNXBMFYSA-N 2 0 296.459 0.812 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001340382604 922072229 /nfs/dbraw/zinc/07/22/29/922072229.db2.gz NHMPIPJONUMDPP-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC001341626323 922589327 /nfs/dbraw/zinc/58/93/27/922589327.db2.gz FTUNYKFWHUKJNI-CYBMUJFWSA-N 2 0 268.405 0.034 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC001341675308 922620548 /nfs/dbraw/zinc/62/05/48/922620548.db2.gz QUTXSLXOONWITP-NEPJUHHUSA-N 2 0 283.372 0.034 20 30 CCEDRP [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001342091566 922801624 /nfs/dbraw/zinc/80/16/24/922801624.db2.gz ZPEHZYRMUJKYJA-GOEBONIOSA-N 2 0 275.396 0.719 20 30 CCEDRP C#CC[NH2+]CC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC001342273767 922887953 /nfs/dbraw/zinc/88/79/53/922887953.db2.gz WLCULPUADHLFNH-UHFFFAOYSA-N 2 0 257.337 0.171 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001342340171 922917845 /nfs/dbraw/zinc/91/78/45/922917845.db2.gz SXCLTCJRKLOBSQ-KBPBESRZSA-N 2 0 295.427 0.945 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001343712507 923437819 /nfs/dbraw/zinc/43/78/19/923437819.db2.gz BZYPQRTZSIXRLI-NEPJUHHUSA-N 2 0 271.430 0.881 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001347440391 924447929 /nfs/dbraw/zinc/44/79/29/924447929.db2.gz GLGLWLLECVMEQF-UHFFFAOYSA-N 2 0 294.443 0.343 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001348793181 924805497 /nfs/dbraw/zinc/80/54/97/924805497.db2.gz IIKDWUZPFCOLJG-ZFWWWQNUSA-N 2 0 292.427 0.141 20 30 CCEDRP C#C[C@H](C)N(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353466866 925841973 /nfs/dbraw/zinc/84/19/73/925841973.db2.gz IGKZJPPXRZWIIO-NSHDSACASA-N 2 0 252.362 0.073 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602554173 362676287 /nfs/dbraw/zinc/67/62/87/362676287.db2.gz GOXBYLNBXWDPNF-UHFFFAOYSA-N 2 0 260.341 0.500 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C1=O ZINC000344062194 355783621 /nfs/dbraw/zinc/78/36/21/355783621.db2.gz MVGDCWKJAKAQAD-OAHLLOKOSA-N 2 0 296.459 0.589 20 30 CCEDRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CCCC#N ZINC000591681028 359637505 /nfs/dbraw/zinc/63/75/05/359637505.db2.gz MWDNURLKUOYYKP-OLZOCXBDSA-N 2 0 290.367 0.832 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000591893435 359681151 /nfs/dbraw/zinc/68/11/51/359681151.db2.gz XPUJETYXJQYWKV-MELADBBJSA-N 2 0 278.400 0.998 20 30 CCEDRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000592965749 360004701 /nfs/dbraw/zinc/00/47/01/360004701.db2.gz GUNAGSLIBVQHMF-CYBMUJFWSA-N 2 0 266.389 0.808 20 30 CCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424447 360299753 /nfs/dbraw/zinc/29/97/53/360299753.db2.gz DSIGADCFQOKYJW-AAEUAGOBSA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000594437089 360305602 /nfs/dbraw/zinc/30/56/02/360305602.db2.gz USONYPLXFLTMLJ-YNEHKIRRSA-N 2 0 264.373 0.608 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437647 360305739 /nfs/dbraw/zinc/30/57/39/360305739.db2.gz WVQOJDCVVJOLNJ-NEPJUHHUSA-N 2 0 266.389 0.902 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000594439967 360309174 /nfs/dbraw/zinc/30/91/74/360309174.db2.gz WTEDYKXPJVJSPM-STQMWFEESA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000594449321 360315147 /nfs/dbraw/zinc/31/51/47/360315147.db2.gz GNFPMTMXZOFFKL-GFCCVEGCSA-N 2 0 252.362 0.656 20 30 CCEDRP C=CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479607 412809922 /nfs/dbraw/zinc/80/99/22/412809922.db2.gz VHGQNIPLSQWOAK-ZIAGYGMSSA-N 2 0 293.411 0.964 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000103338610 389077138 /nfs/dbraw/zinc/07/71/38/389077138.db2.gz INEUFGILNKASQJ-ZDUSSCGKSA-N 2 0 293.415 0.581 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237987698 389198062 /nfs/dbraw/zinc/19/80/62/389198062.db2.gz LBQNEEQEXYXGSS-VXGBXAGGSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503838 389152822 /nfs/dbraw/zinc/15/28/22/389152822.db2.gz GYBJFDZWVLUBMO-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000329476990 389165498 /nfs/dbraw/zinc/16/54/98/389165498.db2.gz PQXHEXKRVNOFRJ-CQSZACIVSA-N 2 0 297.447 0.222 20 30 CCEDRP CN1CC[NH+]=C1NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000262664340 389292778 /nfs/dbraw/zinc/29/27/78/389292778.db2.gz NZCIEZMUIHUISP-UHFFFAOYSA-N 2 0 288.399 0.224 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1ccnc1 ZINC000264062361 389303990 /nfs/dbraw/zinc/30/39/90/389303990.db2.gz DFGWISUVMLMRND-CYBMUJFWSA-N 2 0 278.404 0.662 20 30 CCEDRP CN(C)C(=[NH2+])NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000170904371 389467596 /nfs/dbraw/zinc/46/75/96/389467596.db2.gz TZPHVVSSJPRSQM-UHFFFAOYSA-N 2 0 293.390 0.824 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)[C@H]1CCC[C@@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666961 389833946 /nfs/dbraw/zinc/83/39/46/389833946.db2.gz IQSPPCXKVPKATN-FZKCQIBNSA-N 2 0 280.412 0.680 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430958203 389840196 /nfs/dbraw/zinc/84/01/96/389840196.db2.gz RSVPCGOCCRGBGT-LLVKDONJSA-N 2 0 282.388 0.318 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CC[NH3+])C2)C1=O ZINC000420303296 389981042 /nfs/dbraw/zinc/98/10/42/389981042.db2.gz CRJHYQVIQBAGMM-OLZOCXBDSA-N 2 0 251.374 0.834 20 30 CCEDRP CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000583808483 390312793 /nfs/dbraw/zinc/31/27/93/390312793.db2.gz XXVXMJQJNROMTL-LSDHHAIUSA-N 2 0 282.432 0.657 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000577769276 390845369 /nfs/dbraw/zinc/84/53/69/390845369.db2.gz GJOHGKWHAZHKAI-LBPRGKRZSA-N 2 0 252.362 0.298 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[NH+]2CCC(OC)CC2)CCC[NH2+]1 ZINC000662747331 414756748 /nfs/dbraw/zinc/75/67/48/414756748.db2.gz SPMDDDALIQMGLJ-INIZCTEOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662412811 414715818 /nfs/dbraw/zinc/71/58/18/414715818.db2.gz QWTRFYDPRJAHIN-TZMCWYRMSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662683108 414740663 /nfs/dbraw/zinc/74/06/63/414740663.db2.gz VTGOFRXUAYXNOO-OCCSQVGLSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC[NH2+]1 ZINC000662784164 414791797 /nfs/dbraw/zinc/79/17/97/414791797.db2.gz RCCMKLRVIOIYBJ-JSGCOSHPSA-N 2 0 267.373 0.179 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364036228 262111652 /nfs/dbraw/zinc/11/16/52/262111652.db2.gz JMNCJXIZMYDWKQ-NEPJUHHUSA-N 2 0 252.362 0.540 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1snnc1C ZINC000262686145 262783650 /nfs/dbraw/zinc/78/36/50/262783650.db2.gz DOBJKMZPESYHNL-SNVBAGLBSA-N 2 0 282.417 0.735 20 30 CCEDRP CNC(NCc1ccccc1C[NH+]1CCC(O)CC1)=[NH+]C ZINC000267467620 262932460 /nfs/dbraw/zinc/93/24/60/262932460.db2.gz WWWUXCLEFKNVHX-UHFFFAOYSA-N 2 0 290.411 0.938 20 30 CCEDRP OCC[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@H]1CCO ZINC000342127120 263390463 /nfs/dbraw/zinc/39/04/63/263390463.db2.gz LPTSJIAZIJMBLE-IYBDPMFKSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125840841 264070946 /nfs/dbraw/zinc/07/09/46/264070946.db2.gz AUDATBYTYOANDJ-OLZOCXBDSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCN(CC=C)C(=O)CN1CC[C@H](C[NH2+]C)C1 ZINC000071147287 264248005 /nfs/dbraw/zinc/24/80/05/264248005.db2.gz JFCLLZXUNHQZHR-CYBMUJFWSA-N 2 0 251.374 0.728 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368615405 267191226 /nfs/dbraw/zinc/19/12/26/267191226.db2.gz QIFQGWLYDVRNTB-JHJVBQTASA-N 2 0 251.374 0.751 20 30 CCEDRP CC[C@@H](CC#N)N[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000584122264 327044756 /nfs/dbraw/zinc/04/47/56/327044756.db2.gz MHRTVGCGLUJYLZ-OLZOCXBDSA-N 2 0 266.389 0.821 20 30 CCEDRP C=CCCC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566112492 327138854 /nfs/dbraw/zinc/13/88/54/327138854.db2.gz WPQQPABHIWNANN-LSDHHAIUSA-N 2 0 269.433 0.929 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262188184 330001483 /nfs/dbraw/zinc/00/14/83/330001483.db2.gz CAQRDJUYLVLBEV-LBPRGKRZSA-N 2 0 256.394 0.656 20 30 CCEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000262431498 330010270 /nfs/dbraw/zinc/01/02/70/330010270.db2.gz FHOIMYQBZVVMTB-CYBMUJFWSA-N 2 0 268.405 0.754 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262434037 330010486 /nfs/dbraw/zinc/01/04/86/330010486.db2.gz FUBOQIYZFDCCSF-NWDGAFQWSA-N 2 0 254.378 0.506 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NC[C@@H]1CCOC1 ZINC000262792192 330031868 /nfs/dbraw/zinc/03/18/68/330031868.db2.gz KXSRONBZUXVTEO-NEPJUHHUSA-N 2 0 254.378 0.140 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000424145720 330291519 /nfs/dbraw/zinc/29/15/19/330291519.db2.gz OIFPDSKLWKBQCQ-RYUDHWBXSA-N 2 0 250.346 0.314 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424151673 330297129 /nfs/dbraw/zinc/29/71/29/330297129.db2.gz HMHZNGWJFSMEHV-NEPJUHHUSA-N 2 0 252.362 0.560 20 30 CCEDRP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424155233 330302005 /nfs/dbraw/zinc/30/20/05/330302005.db2.gz MOVAZMPTIQKDOS-GFCCVEGCSA-N 2 0 254.378 0.856 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424197202 330325637 /nfs/dbraw/zinc/32/56/37/330325637.db2.gz WJNBQJCYTKCUCG-RDBSUJKOSA-N 2 0 278.400 0.856 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000490912862 332128176 /nfs/dbraw/zinc/12/81/76/332128176.db2.gz BCQVVWJKKTXEMG-KGLIPLIRSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](CCCC)CC1 ZINC000491387108 332202555 /nfs/dbraw/zinc/20/25/55/332202555.db2.gz XFOCLHAMEFIRRW-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000491780650 332344902 /nfs/dbraw/zinc/34/49/02/332344902.db2.gz FDVVWYRKFPFAAP-ZIAGYGMSSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000491800574 332355225 /nfs/dbraw/zinc/35/52/25/332355225.db2.gz AHBMXEPUCFHSHZ-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000492092044 332382481 /nfs/dbraw/zinc/38/24/81/332382481.db2.gz WCMIODPXTJIDMP-SREVYHEPSA-N 2 0 263.385 0.708 20 30 CCEDRP C=CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172622795 335112189 /nfs/dbraw/zinc/11/21/89/335112189.db2.gz XOVMTYRAEKYZGB-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961343 332987321 /nfs/dbraw/zinc/98/73/21/332987321.db2.gz HGWWFRASHCKLSF-UHFFFAOYSA-N 2 0 295.427 0.865 20 30 CCEDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000521994506 333229643 /nfs/dbraw/zinc/22/96/43/333229643.db2.gz AYJQEEPEFAXIQA-MRXNPFEDSA-N 2 0 296.459 0.904 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241511 333529415 /nfs/dbraw/zinc/52/94/15/333529415.db2.gz QNEYAOZTZATOAJ-UKRRQHHQSA-N 2 0 295.427 0.768 20 30 CCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000576816085 335250712 /nfs/dbraw/zinc/25/07/12/335250712.db2.gz KMQDPMWSKRUKGQ-MRXNPFEDSA-N 2 0 288.395 0.256 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1 ZINC000779570880 581192857 /nfs/dbraw/zinc/19/28/57/581192857.db2.gz WYRGISPTORAJMV-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000765625310 581530326 /nfs/dbraw/zinc/53/03/26/581530326.db2.gz WFNAZYPFSLUTTO-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745948725 581891739 /nfs/dbraw/zinc/89/17/39/581891739.db2.gz SMTYVSGGIAFZHU-UHFFFAOYSA-N 2 0 293.411 0.313 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000764290329 582041182 /nfs/dbraw/zinc/04/11/82/582041182.db2.gz WRGOAUSVQAZHFV-GFCCVEGCSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877253648 613388343 /nfs/dbraw/zinc/38/83/43/613388343.db2.gz CRYQGORCVOUPDR-MWLCHTKSSA-N 2 0 259.781 0.961 20 30 CCEDRP CC(C)(CC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884347245 614083671 /nfs/dbraw/zinc/08/36/71/614083671.db2.gz NLVOPYBBWBZQRE-IQLKVPPVSA-N 2 0 264.373 0.369 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000969674214 612962786 /nfs/dbraw/zinc/96/27/86/612962786.db2.gz IFWNZPGPOYHKGD-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000970795827 612963803 /nfs/dbraw/zinc/96/38/03/612963803.db2.gz HAWLTDLURYCSHG-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000969301026 612966809 /nfs/dbraw/zinc/96/68/09/612966809.db2.gz DEDLAUXWYAUEEW-CYBMUJFWSA-N 2 0 295.346 0.705 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939256978 612968635 /nfs/dbraw/zinc/96/86/35/612968635.db2.gz HIJDHYXFTJVMPU-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969969918 612996651 /nfs/dbraw/zinc/99/66/51/612996651.db2.gz QFBITMBTUDGNES-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863588686 613022797 /nfs/dbraw/zinc/02/27/97/613022797.db2.gz DALCPZBJFHQVLB-KBPBESRZSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960177037 613043518 /nfs/dbraw/zinc/04/35/18/613043518.db2.gz UZXHKEUOLUVGDZ-XUWVNRHRSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958415378 613044601 /nfs/dbraw/zinc/04/46/01/613044601.db2.gz UJVVXCJGLUTLRM-RQJABVFESA-N 2 0 261.369 0.150 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000838624452 613073782 /nfs/dbraw/zinc/07/37/82/613073782.db2.gz ZJJCWUGFVMYEGI-UHFFFAOYSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000836315161 613076824 /nfs/dbraw/zinc/07/68/24/613076824.db2.gz BUFRTEFLDUELRY-HNNXBMFYSA-N 2 0 292.427 0.725 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971561670 613083037 /nfs/dbraw/zinc/08/30/37/613083037.db2.gz ZWKSEWMOWYTKPU-MGPQQGTHSA-N 2 0 263.385 0.493 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971793694 613092824 /nfs/dbraw/zinc/09/28/24/613092824.db2.gz FOKODKOOYFNMKI-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000928648251 613132472 /nfs/dbraw/zinc/13/24/72/613132472.db2.gz HWAXFNGOBZEYAC-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925434242 613134449 /nfs/dbraw/zinc/13/44/49/613134449.db2.gz ZXQSVSVAGIUZRH-ZDUSSCGKSA-N 2 0 264.373 0.087 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000923117298 613134566 /nfs/dbraw/zinc/13/45/66/613134566.db2.gz AHJOGIKGLYMFMI-OTVXOJSOSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000811939234 613202111 /nfs/dbraw/zinc/20/21/11/613202111.db2.gz WIMFQOPZPVYOFA-KGLIPLIRSA-N 2 0 265.401 0.929 20 30 CCEDRP C[NH+]=C(NCC(C)(C)N1CC[NH+](C)CC1)NC1CC1 ZINC000848984080 613218873 /nfs/dbraw/zinc/21/88/73/613218873.db2.gz LBBXKOIWIPGCLB-UHFFFAOYSA-N 2 0 267.421 0.340 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1C[N@H+](C)CCN1C ZINC000849008116 613220450 /nfs/dbraw/zinc/22/04/50/613220450.db2.gz REXLJLVAJMBXLB-LBPRGKRZSA-N 2 0 279.388 0.190 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900604144 613304770 /nfs/dbraw/zinc/30/47/70/613304770.db2.gz BBHLOLIDQNAUIT-GDBMZVCRSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126867 613324040 /nfs/dbraw/zinc/32/40/40/613324040.db2.gz NVCVUVMFPKKCDY-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000908345779 613364360 /nfs/dbraw/zinc/36/43/60/613364360.db2.gz DNCVTBZACAXGMT-STQMWFEESA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000900608378 613364675 /nfs/dbraw/zinc/36/46/75/613364675.db2.gz MZNIVLLKUVGWDO-UHFFFAOYSA-N 2 0 264.373 0.598 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000899991762 613364709 /nfs/dbraw/zinc/36/47/09/613364709.db2.gz YXYGQUYKIVDNHL-UHFFFAOYSA-N 2 0 282.432 0.248 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913281010 613366459 /nfs/dbraw/zinc/36/64/59/613366459.db2.gz JVETTXNPRZSZGN-GASCZTMLSA-N 2 0 265.401 0.904 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000856097639 613366491 /nfs/dbraw/zinc/36/64/91/613366491.db2.gz DRUVYFQVJWMBOY-AWEZNQCLSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000876927719 613389044 /nfs/dbraw/zinc/38/90/44/613389044.db2.gz KJSHIEZMGLSSRT-JTQLQIEISA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000876542166 613389136 /nfs/dbraw/zinc/38/91/36/613389136.db2.gz QYOZYIPOZRAKMJ-LBPRGKRZSA-N 2 0 289.807 0.813 20 30 CCEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878680788 613461294 /nfs/dbraw/zinc/46/12/94/613461294.db2.gz VLRFVVZILRAMJB-KGLIPLIRSA-N 2 0 281.400 0.520 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709583 613467358 /nfs/dbraw/zinc/46/73/58/613467358.db2.gz KYKNRGHTXYPVGX-XQQFMLRXSA-N 2 0 265.357 0.820 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969413382 613530367 /nfs/dbraw/zinc/53/03/67/613530367.db2.gz XZVZQSGEILVXAZ-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958415209 613564268 /nfs/dbraw/zinc/56/42/68/613564268.db2.gz QZSACERWONTDCP-RFQIPJPRSA-N 2 0 263.385 0.703 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000923282760 613585679 /nfs/dbraw/zinc/58/56/79/613585679.db2.gz XQCNHHSXZJIVKQ-QWHCGFSZSA-N 2 0 269.389 0.100 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960788993 613632976 /nfs/dbraw/zinc/63/29/76/613632976.db2.gz IRSGZTIFGYBMHN-FICVDOATSA-N 2 0 287.407 0.685 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971205350 613634000 /nfs/dbraw/zinc/63/40/00/613634000.db2.gz USZXBVHZHQEWIR-QWHCGFSZSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969675879 613663256 /nfs/dbraw/zinc/66/32/56/613663256.db2.gz BSGAFQXOGKOILV-DOMZBBRYSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000828841758 613674423 /nfs/dbraw/zinc/67/44/23/613674423.db2.gz FXSFAUPCNHCOHM-CYBMUJFWSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486123 613851241 /nfs/dbraw/zinc/85/12/41/613851241.db2.gz NLOMPSABIANNFB-MNOVXSKESA-N 2 0 268.361 0.057 20 30 CCEDRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852799717 614117849 /nfs/dbraw/zinc/11/78/49/614117849.db2.gz WPBUGILEMLOIHC-AWEZNQCLSA-N 2 0 265.401 0.821 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884412873 614709992 /nfs/dbraw/zinc/70/99/92/614709992.db2.gz CLNRRHXLCBZSLL-IOSBVQAASA-N 2 0 290.411 0.726 20 30 CCEDRP CCCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884207081 614948733 /nfs/dbraw/zinc/94/87/33/614948733.db2.gz MAHIOTVMNGLDOR-BBBYJDLNSA-N 2 0 292.427 0.974 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000913524329 615857921 /nfs/dbraw/zinc/85/79/21/615857921.db2.gz INGZWZPWPCGIRB-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883797 615926697 /nfs/dbraw/zinc/92/66/97/615926697.db2.gz NYIXEQIOPLVATN-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801962 616125792 /nfs/dbraw/zinc/12/57/92/616125792.db2.gz KXBPIWCDUHXWRQ-GJZGRUSLSA-N 2 0 286.379 0.389 20 30 CCEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884329 616342825 /nfs/dbraw/zinc/34/28/25/616342825.db2.gz IJRIIIHAWDYSLP-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884327 616448749 /nfs/dbraw/zinc/44/87/49/616448749.db2.gz IJRIIIHAWDYSLP-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026043659 625326274 /nfs/dbraw/zinc/32/62/74/625326274.db2.gz ADKDYSBMJOYULQ-SEBNEYGDSA-N 2 0 277.412 0.807 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148451 625343846 /nfs/dbraw/zinc/34/38/46/625343846.db2.gz KFXTXZJVOXQFBO-GRYWWWGRSA-N 2 0 275.396 0.539 20 30 CCEDRP N#CC[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930804893 625434247 /nfs/dbraw/zinc/43/42/47/625434247.db2.gz CLLHNAMJQUURLC-CQSZACIVSA-N 2 0 260.341 0.868 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)CC1 ZINC001023128225 622919647 /nfs/dbraw/zinc/91/96/47/622919647.db2.gz VGGBABNYPXVLPF-OKILXGFUSA-N 2 0 281.375 0.538 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703739 623107721 /nfs/dbraw/zinc/10/77/21/623107721.db2.gz TWSCIWIGVSYVFG-HNNXBMFYSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001027556197 630750115 /nfs/dbraw/zinc/75/01/15/630750115.db2.gz ZEHXOXKTWQRSMI-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000261772879 631581746 /nfs/dbraw/zinc/58/17/46/631581746.db2.gz MYLGIXXLUBMAFU-GFCCVEGCSA-N 2 0 254.378 0.410 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000841849751 631600626 /nfs/dbraw/zinc/60/06/26/631600626.db2.gz JYAQIQVQDHPMKV-RDBSUJKOSA-N 2 0 272.352 0.694 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000985441558 632482814 /nfs/dbraw/zinc/48/28/14/632482814.db2.gz KEIRIGIHUQSRPF-UKRRQHHQSA-N 2 0 277.412 0.883 20 30 CCEDRP CC[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303903452 632493420 /nfs/dbraw/zinc/49/34/20/632493420.db2.gz ULAPSKGHSWOSEO-GFCCVEGCSA-N 2 0 254.378 0.508 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985787792 632642828 /nfs/dbraw/zinc/64/28/28/632642828.db2.gz QCHPODXKGWTFRF-CYBMUJFWSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C)[C@@H]1C ZINC000987531088 632876776 /nfs/dbraw/zinc/87/67/76/632876776.db2.gz JWLDDPZTAUHZGN-DGCLKSJQSA-N 2 0 260.341 0.404 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000990244910 633493664 /nfs/dbraw/zinc/49/36/64/633493664.db2.gz PIBXYEJBRZTCAE-ZDUSSCGKSA-N 2 0 251.374 0.847 20 30 CCEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC#CC[NH+](C)C ZINC000913518771 636834838 /nfs/dbraw/zinc/83/48/38/636834838.db2.gz AFZXGDLQUGELMO-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301199 638814984 /nfs/dbraw/zinc/81/49/84/638814984.db2.gz RVSQZZDBJPCCTR-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000996994358 638847698 /nfs/dbraw/zinc/84/76/98/638847698.db2.gz HMHBTQJHIJPMNO-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000997364455 638864468 /nfs/dbraw/zinc/86/44/68/638864468.db2.gz NDFHEDIWHWDAOM-UHFFFAOYSA-N 2 0 287.407 0.545 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000225635 639056948 /nfs/dbraw/zinc/05/69/48/639056948.db2.gz LFXQDZGSNJDACY-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001000225642 639056960 /nfs/dbraw/zinc/05/69/60/639056960.db2.gz LFXQDZGSNJDACY-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001001413327 639296788 /nfs/dbraw/zinc/29/67/88/639296788.db2.gz LXPJCZPTCHNEEV-INIZCTEOSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003624071 639581078 /nfs/dbraw/zinc/58/10/78/639581078.db2.gz KXNBJUXHVUVNFA-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636876 639581886 /nfs/dbraw/zinc/58/18/86/639581886.db2.gz XZUMWDBFGPLYGU-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[C@H]1CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000829810308 642194686 /nfs/dbraw/zinc/19/46/86/642194686.db2.gz NROPBVGWLZZRLI-HNNXBMFYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001016631673 650750643 /nfs/dbraw/zinc/75/06/43/650750643.db2.gz ABRSMAOCQJOAKG-KFWWJZLASA-N 2 0 289.423 0.931 20 30 CCEDRP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000841850015 642843950 /nfs/dbraw/zinc/84/39/50/642843950.db2.gz TXVXFNWDPUUNCG-AVGNSLFASA-N 2 0 258.325 0.223 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000852827515 644014213 /nfs/dbraw/zinc/01/42/13/644014213.db2.gz JYUOCJQQYOCLBY-GXFFZTMASA-N 2 0 256.309 0.131 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000852873573 644035264 /nfs/dbraw/zinc/03/52/64/644035264.db2.gz ZBCQSDBPTHNPAL-UHFFFAOYSA-N 2 0 298.390 0.733 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000852882076 644040723 /nfs/dbraw/zinc/04/07/23/644040723.db2.gz XGPPXNSCBOZNMQ-KBPBESRZSA-N 2 0 261.369 0.200 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1CC[NH3+] ZINC000852895633 644047858 /nfs/dbraw/zinc/04/78/58/644047858.db2.gz GEOHFXFDTSWHQA-UKRRQHHQSA-N 2 0 277.412 0.965 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C(C)C)C2)CC1 ZINC001019815673 651008553 /nfs/dbraw/zinc/00/85/53/651008553.db2.gz KFDCLHCRMNZLGH-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000872251678 646229593 /nfs/dbraw/zinc/22/95/93/646229593.db2.gz SVOGHRKUWIPCPF-JYJNAYRXSA-N 2 0 279.428 0.376 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC1CC[NH2+]CC1 ZINC000876502590 646613552 /nfs/dbraw/zinc/61/35/52/646613552.db2.gz FJWUQZHPTKDTIX-OAHLLOKOSA-N 2 0 284.363 0.613 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508125 646614328 /nfs/dbraw/zinc/61/43/28/646614328.db2.gz IZIFLQZQIBGFNJ-ZFWWWQNUSA-N 2 0 284.363 0.613 20 30 CCEDRP C[C@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876795421 646665463 /nfs/dbraw/zinc/66/54/63/646665463.db2.gz FUNSJMVJDJUMOF-YGRLFVJLSA-N 2 0 272.352 0.599 20 30 CCEDRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877107585 646734908 /nfs/dbraw/zinc/73/49/08/646734908.db2.gz JLPCPQDXBKIEMK-IINYFYTJSA-N 2 0 272.352 0.551 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000104168422 648203757 /nfs/dbraw/zinc/20/37/57/648203757.db2.gz KIBVQRZQTRRROG-GFCCVEGCSA-N 2 0 256.394 0.802 20 30 CCEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])N1CCSCC1 ZINC000303708998 649824043 /nfs/dbraw/zinc/82/40/43/649824043.db2.gz NMBLPGXYIMZALN-UHFFFAOYSA-N 2 0 258.435 0.938 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCOC ZINC000303868666 649825927 /nfs/dbraw/zinc/82/59/27/649825927.db2.gz DKNFAUKXFGYBJA-GFCCVEGCSA-N 2 0 272.393 0.038 20 30 CCEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCCCC1 ZINC000303884868 649826284 /nfs/dbraw/zinc/82/62/84/649826284.db2.gz JIUISKZIYDWPPX-UHFFFAOYSA-N 2 0 268.405 0.634 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303907477 649826920 /nfs/dbraw/zinc/82/69/20/649826920.db2.gz WVYHPCXSVHRVKN-CQSZACIVSA-N 2 0 299.463 0.343 20 30 CCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH+]=C(N(C)C)N(C)C ZINC000303975203 649827378 /nfs/dbraw/zinc/82/73/78/649827378.db2.gz IUPIKSVVRRRFDW-ZDUSSCGKSA-N 2 0 297.447 0.408 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304757116 649838277 /nfs/dbraw/zinc/83/82/77/649838277.db2.gz OJSJPLWOELQKRB-KGLIPLIRSA-N 2 0 298.431 0.571 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304755044 649838330 /nfs/dbraw/zinc/83/83/30/649838330.db2.gz ZDTNCWDCFHYKTH-UHFFFAOYSA-N 2 0 267.421 0.493 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305048276 649840893 /nfs/dbraw/zinc/84/08/93/649840893.db2.gz ZCNYNMBCNLVOIM-STQMWFEESA-N 2 0 270.421 0.904 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305093789 649841722 /nfs/dbraw/zinc/84/17/22/649841722.db2.gz YIGDFDUJUHHZLJ-UHFFFAOYSA-N 2 0 281.448 0.815 20 30 CCEDRP C#CCN1CC[NH+](CCCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001266276041 790381694 /nfs/dbraw/zinc/38/16/94/790381694.db2.gz WMNFZKDVLATDEI-UHFFFAOYSA-N 2 0 294.443 0.085 20 30 CCEDRP CC[C@H](C(=O)NC[C@H]([NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001266414870 790659443 /nfs/dbraw/zinc/65/94/43/790659443.db2.gz LGXBJHRUHZPDQF-LSDHHAIUSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266533689 790885939 /nfs/dbraw/zinc/88/59/39/790885939.db2.gz OHDWLAFOYOEGKT-KBPBESRZSA-N 2 0 265.401 0.952 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266725371 791191516 /nfs/dbraw/zinc/19/15/16/791191516.db2.gz FILBFCHKRXPIBH-OKILXGFUSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266805062 791248045 /nfs/dbraw/zinc/24/80/45/791248045.db2.gz UGTCTIHPWWGDER-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167608260 791624884 /nfs/dbraw/zinc/62/48/84/791624884.db2.gz CMXWWGNEENYVIX-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001267249429 793243535 /nfs/dbraw/zinc/24/35/35/793243535.db2.gz VXYNBSPAWVVEBN-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001121784593 799069631 /nfs/dbraw/zinc/06/96/31/799069631.db2.gz HNMCZALSJBEBDJ-JNJRBNHSSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001122447563 799238001 /nfs/dbraw/zinc/23/80/01/799238001.db2.gz FPQTXWPBYFYBIX-RDBSUJKOSA-N 2 0 282.432 0.421 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001161215492 800028528 /nfs/dbraw/zinc/02/85/28/800028528.db2.gz UPCXYVSBZMNGGO-ZDUSSCGKSA-N 2 0 274.368 0.565 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156373962 801158446 /nfs/dbraw/zinc/15/84/46/801158446.db2.gz GXLSLJDLNCVGTI-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036293 801557578 /nfs/dbraw/zinc/55/75/78/801557578.db2.gz BOEXDFIBAIIDLU-CABCVRRESA-N 2 0 277.412 0.980 20 30 CCEDRP N#CCCN(CCC#N)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160750593 802013699 /nfs/dbraw/zinc/01/36/99/802013699.db2.gz LTAZVVGZHLJWIZ-LBPRGKRZSA-N 2 0 265.361 0.489 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161052202 802078354 /nfs/dbraw/zinc/07/83/54/802078354.db2.gz JEQWJWMPSQBMAV-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC001161306176 802121608 /nfs/dbraw/zinc/12/16/08/802121608.db2.gz FJYNJSCIEDBMQI-HNNXBMFYSA-N 2 0 272.352 0.389 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161548970 802177512 /nfs/dbraw/zinc/17/75/12/802177512.db2.gz YYTYUYNDVPVYCL-AWEZNQCLSA-N 2 0 284.363 0.392 20 30 CCEDRP C=CC[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698961 802200865 /nfs/dbraw/zinc/20/08/65/802200865.db2.gz HPWUKGSKITUPPW-UHFFFAOYSA-N 2 0 295.427 0.889 20 30 CCEDRP C=CC(NCC[C@@H]1CCOC12C[NH2+]C2)=[NH+]COC ZINC001163088657 802478644 /nfs/dbraw/zinc/47/86/44/802478644.db2.gz ZWGKXSLSIGGGOD-LLVKDONJSA-N 2 0 253.346 0.533 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264724781 809674486 /nfs/dbraw/zinc/67/44/86/809674486.db2.gz HXLXDWCRFSRXTK-HIFRSBDPSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164555793 802764322 /nfs/dbraw/zinc/76/43/22/802764322.db2.gz NYPPXISYDBOAQL-HNNXBMFYSA-N 2 0 289.423 0.838 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574707 802768330 /nfs/dbraw/zinc/76/83/30/802768330.db2.gz XGRASNQJNGMOMO-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165379262 802830013 /nfs/dbraw/zinc/83/00/13/802830013.db2.gz WACNSCMRTNFVEZ-CYBMUJFWSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267744142 811728244 /nfs/dbraw/zinc/72/82/44/811728244.db2.gz FWAVBRHNHSZPHX-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165775819 802864564 /nfs/dbraw/zinc/86/45/64/802864564.db2.gz AGNCEZCXZFJGHZ-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001166425049 802906471 /nfs/dbraw/zinc/90/64/71/802906471.db2.gz NJAXAJSMKUJAEK-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166694067 802940745 /nfs/dbraw/zinc/94/07/45/802940745.db2.gz VCXZQDODDXYWTO-OLZOCXBDSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166678189 802937126 /nfs/dbraw/zinc/93/71/26/802937126.db2.gz UVUHVEZYQUOCLP-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070157 803486067 /nfs/dbraw/zinc/48/60/67/803486067.db2.gz FIGRFHXVEHIYOD-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454176 803605084 /nfs/dbraw/zinc/60/50/84/803605084.db2.gz JXHYDXFAPRTOJY-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210494865 803652056 /nfs/dbraw/zinc/65/20/56/803652056.db2.gz YIHPETRGZRBJGA-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754147 803855436 /nfs/dbraw/zinc/85/54/36/803855436.db2.gz JFKSSTXQRNYQKT-QLFBSQMISA-N 2 0 293.411 0.024 20 30 CCEDRP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218211437 803937880 /nfs/dbraw/zinc/93/78/80/803937880.db2.gz ZKFCHZHFKFCJOR-UONOGXRCSA-N 2 0 275.352 0.339 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cnc(C#N)cn1 ZINC001218503259 803970139 /nfs/dbraw/zinc/97/01/39/803970139.db2.gz DWEOMPAKYOKSEZ-LBPRGKRZSA-N 2 0 290.371 0.782 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)cc1C#N ZINC001218986752 804175265 /nfs/dbraw/zinc/17/52/65/804175265.db2.gz CJLQCUQNZHXHLA-GFCCVEGCSA-N 2 0 295.306 0.244 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)c(C#N)c1 ZINC001219393365 804296609 /nfs/dbraw/zinc/29/66/09/804296609.db2.gz LYKUIZWMFXJPKA-PWSUYJOCSA-N 2 0 255.281 0.058 20 30 CCEDRP N#C[C@@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC001219558351 804347326 /nfs/dbraw/zinc/34/73/26/804347326.db2.gz OCPBWKQMXRXGCT-ZIAGYGMSSA-N 2 0 272.352 0.694 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345200 804580149 /nfs/dbraw/zinc/58/01/49/804580149.db2.gz REWKTVQXLUNMFU-ILXRZTDVSA-N 2 0 295.427 0.291 20 30 CCEDRP C#Cc1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001220380589 804589938 /nfs/dbraw/zinc/58/99/38/804589938.db2.gz AHYKDAHSNCFZCT-HNNXBMFYSA-N 2 0 271.364 0.611 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220702807 804651709 /nfs/dbraw/zinc/65/17/09/804651709.db2.gz LTUOSWXKXVJJJO-NWDGAFQWSA-N 2 0 254.378 0.887 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220829859 804676773 /nfs/dbraw/zinc/67/67/73/804676773.db2.gz CAIPQWZRZWMTQK-UHFFFAOYSA-N 2 0 293.367 0.175 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001220868352 804685824 /nfs/dbraw/zinc/68/58/24/804685824.db2.gz GXILPUYQTFOCDE-JSGCOSHPSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228255502 805423949 /nfs/dbraw/zinc/42/39/49/805423949.db2.gz YOHWJYNRAZRBMV-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCOC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001251847182 807716951 /nfs/dbraw/zinc/71/69/51/807716951.db2.gz AKYAILHZQYLWHO-AWEZNQCLSA-N 2 0 254.374 0.271 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001251855610 807723703 /nfs/dbraw/zinc/72/37/03/807723703.db2.gz ZNJKYGFBJRGAOB-CYBMUJFWSA-N 2 0 252.358 0.025 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001251896690 807739656 /nfs/dbraw/zinc/73/96/56/807739656.db2.gz LLUNPIGLFDQQCU-INIZCTEOSA-N 2 0 282.428 0.955 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001251906590 807743866 /nfs/dbraw/zinc/74/38/66/807743866.db2.gz HUDMWTMUGMGZIP-RBSFLKMASA-N 2 0 268.401 0.706 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001278728714 808076450 /nfs/dbraw/zinc/07/64/50/808076450.db2.gz SENWTKDBBOSYSN-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP C=C[C@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001253573910 808081713 /nfs/dbraw/zinc/08/17/13/808081713.db2.gz KQEYLMDVNAGXTJ-LBPRGKRZSA-N 2 0 262.357 0.792 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278805173 808275644 /nfs/dbraw/zinc/27/56/44/808275644.db2.gz JRVBZNHAOLQWAU-ZBFHGGJFSA-N 2 0 295.427 0.149 20 30 CCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001278815914 808280905 /nfs/dbraw/zinc/28/09/05/808280905.db2.gz LFSZKTVNDUKKCA-HNNXBMFYSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278833908 808307374 /nfs/dbraw/zinc/30/73/74/808307374.db2.gz YLNZIPIXPNTXSB-ZIAGYGMSSA-N 2 0 283.416 0.313 20 30 CCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC001263105448 809446640 /nfs/dbraw/zinc/44/66/40/809446640.db2.gz ONWFCVCSRSLIKG-XQQFMLRXSA-N 2 0 264.373 0.336 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC001263169211 809468308 /nfs/dbraw/zinc/46/83/08/809468308.db2.gz INFYSMYOKCFWNB-UHFFFAOYSA-N 2 0 293.411 0.313 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001263849577 809587520 /nfs/dbraw/zinc/58/75/20/809587520.db2.gz OIRQGUSNSUPXEN-FRRDWIJNSA-N 2 0 253.390 0.997 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462053 815301296 /nfs/dbraw/zinc/30/12/96/815301296.db2.gz GIQBUKFYKMJYMJ-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001263861577 809591397 /nfs/dbraw/zinc/59/13/97/809591397.db2.gz FRMQCYMDEHPZIV-BPUTZDHNSA-N 2 0 289.423 0.836 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157784 809635002 /nfs/dbraw/zinc/63/50/02/809635002.db2.gz SIDCDQRAUWNSED-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH+]1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001265266643 809735692 /nfs/dbraw/zinc/73/56/92/809735692.db2.gz VYLLZSYDSCSPHP-UHFFFAOYSA-N 2 0 294.443 0.084 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265571612 809806098 /nfs/dbraw/zinc/80/60/98/809806098.db2.gz URPXHHJNDOYCAU-OKILXGFUSA-N 2 0 263.385 0.732 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266039955 809924621 /nfs/dbraw/zinc/92/46/21/809924621.db2.gz FLRHJGPJLWYJST-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267283007 811093392 /nfs/dbraw/zinc/09/33/92/811093392.db2.gz ZMECUHWMCRIBIU-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267307205 811128467 /nfs/dbraw/zinc/12/84/67/811128467.db2.gz NSIXJKHNBIMZNC-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456405 811318583 /nfs/dbraw/zinc/31/85/83/811318583.db2.gz WJTCKMAWVXDCFN-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001268010954 811948820 /nfs/dbraw/zinc/94/88/20/811948820.db2.gz RTMZLLOHDLNGBO-CHWSQXEVSA-N 2 0 253.390 0.692 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CCC)C(C)C ZINC001268221099 812374407 /nfs/dbraw/zinc/37/44/07/812374407.db2.gz FINYDRAAJCEWAV-CYBMUJFWSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028629638 813008845 /nfs/dbraw/zinc/00/88/45/813008845.db2.gz PEQYGLHDUNTKEB-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC#CC ZINC001268733747 813049731 /nfs/dbraw/zinc/04/97/31/813049731.db2.gz KEEBOXHZNNTXJV-CABCVRRESA-N 2 0 275.396 0.544 20 30 CCEDRP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268747613 813060548 /nfs/dbraw/zinc/06/05/48/813060548.db2.gz STOFZNMCKIGRCW-OLZOCXBDSA-N 2 0 253.390 0.786 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268752430 813063523 /nfs/dbraw/zinc/06/35/23/813063523.db2.gz NNBYHXFPMPJRFS-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001268910815 813141002 /nfs/dbraw/zinc/14/10/02/813141002.db2.gz DWGIJXMTEBQWOG-UHFFFAOYSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268914793 813145161 /nfs/dbraw/zinc/14/51/61/813145161.db2.gz FPCHPOXWYNBDMR-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001269135312 813233515 /nfs/dbraw/zinc/23/35/15/813233515.db2.gz KHWRXXPXTLZAHH-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](CC)[NH+](C)C ZINC001269492870 813390582 /nfs/dbraw/zinc/39/05/82/813390582.db2.gz QEMNDDAZHVRDSH-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001269572324 813427718 /nfs/dbraw/zinc/42/77/18/813427718.db2.gz PPGXKZDAXMNIQH-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001270509400 813791901 /nfs/dbraw/zinc/79/19/01/813791901.db2.gz XOTKKFNGEFITLU-QWHCGFSZSA-N 2 0 253.390 0.548 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796532 814216040 /nfs/dbraw/zinc/21/60/40/814216040.db2.gz DOWXIVCTFDTURZ-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001271451218 814443896 /nfs/dbraw/zinc/44/38/96/814443896.db2.gz YKGMSMFPNFUVFT-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001271929863 814632795 /nfs/dbraw/zinc/63/27/95/814632795.db2.gz FADRJHLYUNXHLX-QWHCGFSZSA-N 2 0 253.390 0.855 20 30 CCEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503892 816324077 /nfs/dbraw/zinc/32/40/77/816324077.db2.gz KMPUWXHKUCPJQJ-ZIAGYGMSSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257369 816493670 /nfs/dbraw/zinc/49/36/70/816493670.db2.gz XYAIJVWRINVUGO-OLZOCXBDSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719003 816634381 /nfs/dbraw/zinc/63/43/81/816634381.db2.gz KQTCCIONJHXAQU-KFWWJZLASA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083728211 816734357 /nfs/dbraw/zinc/73/43/57/816734357.db2.gz KJUGXTCTLYYAGO-XQLPTFJDSA-N 2 0 295.427 0.454 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882621 816972157 /nfs/dbraw/zinc/97/21/57/816972157.db2.gz YEXPKAXSNYJVOR-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785813 817866818 /nfs/dbraw/zinc/86/68/18/817866818.db2.gz QSGMUBYDYXRJCB-UONOGXRCSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945622 818381897 /nfs/dbraw/zinc/38/18/97/818381897.db2.gz PVSFUHAOQGKXOC-OLZOCXBDSA-N 2 0 251.374 0.799 20 30 CCEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033361132 818741392 /nfs/dbraw/zinc/74/13/92/818741392.db2.gz LZDCAFSZVSJNPR-KKUMJFAQSA-N 2 0 277.412 0.883 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592035 818840481 /nfs/dbraw/zinc/84/04/81/818840481.db2.gz FBXJQGSEVWXMCD-CYBMUJFWSA-N 2 0 263.385 0.801 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033789885 818934460 /nfs/dbraw/zinc/93/44/60/818934460.db2.gz QZJSSOAOQITRRU-GJZGRUSLSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033789880 818936026 /nfs/dbraw/zinc/93/60/26/818936026.db2.gz QZJSSOAOQITRRU-CABCVRRESA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042810 819041756 /nfs/dbraw/zinc/04/17/56/819041756.db2.gz PYZXLPPLCQNPEQ-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001034614434 819260917 /nfs/dbraw/zinc/26/09/17/819260917.db2.gz PTOOQUORLMLVTG-MGPQQGTHSA-N 2 0 281.400 0.520 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001036160675 819700389 /nfs/dbraw/zinc/70/03/89/819700389.db2.gz LZHKMIPBTRJMNG-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)Cc2cncn2C)C[C@@H]1C ZINC001036254812 819715986 /nfs/dbraw/zinc/71/59/86/819715986.db2.gz VWVFIURJBZENGP-JSGCOSHPSA-N 2 0 274.368 0.422 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132815 820904326 /nfs/dbraw/zinc/90/43/26/820904326.db2.gz SLYPSERGRYRBAO-RRFJBIMHSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742172 821030267 /nfs/dbraw/zinc/03/02/67/821030267.db2.gz UGZIPUDQRVZLLH-BFHYXJOUSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166985810 821366545 /nfs/dbraw/zinc/36/65/45/821366545.db2.gz DYRFTDSGMBOFNI-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973707 821678296 /nfs/dbraw/zinc/67/82/96/821678296.db2.gz HPLJGRMXSLMXMH-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001273358429 821924196 /nfs/dbraw/zinc/92/41/96/821924196.db2.gz FEOAFPRSVFGERN-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100042072 822148148 /nfs/dbraw/zinc/14/81/48/822148148.db2.gz SPPNBSBIGHIOLZ-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086381625 822231543 /nfs/dbraw/zinc/23/15/43/822231543.db2.gz BZXUHKSABRGFCH-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086477987 822274295 /nfs/dbraw/zinc/27/42/95/822274295.db2.gz FFYOHCQBFZJLSL-AAVRWANBSA-N 2 0 265.401 0.855 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647752 844055326 /nfs/dbraw/zinc/05/53/26/844055326.db2.gz KDLOOZMOCGWSNS-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467377 837130227 /nfs/dbraw/zinc/13/02/27/837130227.db2.gz AOAIPBNUACZOOK-UHFFFAOYSA-N 2 0 295.427 0.247 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170223948 837270246 /nfs/dbraw/zinc/27/02/46/837270246.db2.gz ZKWPZLJTVXWHPI-CYBMUJFWSA-N 2 0 298.431 0.115 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130809850 837930178 /nfs/dbraw/zinc/93/01/78/837930178.db2.gz JGDUCUQKRUVTHQ-UHFFFAOYSA-N 2 0 251.374 0.897 20 30 CCEDRP C=CCCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273494879 844315930 /nfs/dbraw/zinc/31/59/30/844315930.db2.gz IFQGDCWHCMDUBD-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426041 838392704 /nfs/dbraw/zinc/39/27/04/838392704.db2.gz RDMYUQPIADBPMN-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133246388 838582585 /nfs/dbraw/zinc/58/25/85/838582585.db2.gz VUCZYAIZRHDUDN-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185214758 844363680 /nfs/dbraw/zinc/36/36/80/844363680.db2.gz XHVUUYJFFPNBLH-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134749863 839063494 /nfs/dbraw/zinc/06/34/94/839063494.db2.gz DSLKXBGXMLUUCK-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373735 839231055 /nfs/dbraw/zinc/23/10/55/839231055.db2.gz YIFYEBVCKJWKFT-UONOGXRCSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086792683 839424907 /nfs/dbraw/zinc/42/49/07/839424907.db2.gz FDWALFGGHGYMRD-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185659279 844442639 /nfs/dbraw/zinc/44/26/39/844442639.db2.gz FXTXEFZWMGPKKX-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP CCOC(=O)c1cc(C#N)c(C)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170895688 839539945 /nfs/dbraw/zinc/53/99/45/839539945.db2.gz XIDBQQJKQPXBFI-GFCCVEGCSA-N 2 0 291.355 0.874 20 30 CCEDRP N#Cc1cc2cccnc2nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899079 839546037 /nfs/dbraw/zinc/54/60/37/839546037.db2.gz WZHDBBVQCCLQJA-LLVKDONJSA-N 2 0 256.313 0.937 20 30 CCEDRP COc1cc(C#N)cc(N[C@H]([NH3+])CCC[NH3+])c1OC(C)=O ZINC001170899385 839548023 /nfs/dbraw/zinc/54/80/23/839548023.db2.gz JTNWLPJJAUAKRA-ZDUSSCGKSA-N 2 0 292.339 0.928 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001090808316 839827483 /nfs/dbraw/zinc/82/74/83/839827483.db2.gz JARAUKKMELDILS-KBPBESRZSA-N 2 0 292.383 0.319 20 30 CCEDRP C=C(C)CC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204782 840114792 /nfs/dbraw/zinc/11/47/92/840114792.db2.gz GEVZHQAXCNIHNI-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001091377150 840192289 /nfs/dbraw/zinc/19/22/89/840192289.db2.gz BNQRVHKZNXAGDR-UHFFFAOYSA-N 2 0 287.407 0.449 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408525 840296015 /nfs/dbraw/zinc/29/60/15/840296015.db2.gz KNIZTBFKEPGPTN-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147826456 840693263 /nfs/dbraw/zinc/69/32/63/840693263.db2.gz VVPKEIKJGKAHAF-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148842656 840894797 /nfs/dbraw/zinc/89/47/97/840894797.db2.gz BCDCKXAYEGVTIZ-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176058575 842321318 /nfs/dbraw/zinc/32/13/18/842321318.db2.gz YGIOYKSTSAZAOH-ZDUSSCGKSA-N 2 0 269.389 0.237 20 30 CCEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176164424 842337551 /nfs/dbraw/zinc/33/75/51/842337551.db2.gz BXZZXGBRALZINR-HNNXBMFYSA-N 2 0 297.443 0.853 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884442 842441163 /nfs/dbraw/zinc/44/11/63/842441163.db2.gz HTBINXRBCDWOLM-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715544 842911127 /nfs/dbraw/zinc/91/11/27/842911127.db2.gz CYDYVKDSRISZCY-BPUTZDHNSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001180899768 843335362 /nfs/dbraw/zinc/33/53/62/843335362.db2.gz PLEHOMOBDDUOPQ-IJEWVQPXSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121326 844652377 /nfs/dbraw/zinc/65/23/77/844652377.db2.gz HIMMFVJFUCCMCD-CQSZACIVSA-N 2 0 293.411 0.475 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187852025 844781991 /nfs/dbraw/zinc/78/19/91/844781991.db2.gz ZMTKAVSOVHRINR-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP Cc1ncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1C#N ZINC001192299699 845809556 /nfs/dbraw/zinc/80/95/56/845809556.db2.gz CCSUEVZBPMNYFD-UHFFFAOYSA-N 2 0 274.328 0.336 20 30 CCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC#N ZINC001192963856 845955904 /nfs/dbraw/zinc/95/59/04/845955904.db2.gz VNCOMEJKSRCHNI-UHFFFAOYSA-N 2 0 290.433 0.045 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001193289881 846046757 /nfs/dbraw/zinc/04/67/57/846046757.db2.gz BEKYIYKBBNOGGZ-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193460370 846080952 /nfs/dbraw/zinc/08/09/52/846080952.db2.gz BHIXZFPVBUMEMJ-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196130957 846689088 /nfs/dbraw/zinc/68/90/88/846689088.db2.gz NBDWPLJYDVJXLG-RBSFLKMASA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197024226 846834132 /nfs/dbraw/zinc/83/41/32/846834132.db2.gz BDXIENXKIWGQGH-KFWWJZLASA-N 2 0 297.443 0.700 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819923 846987195 /nfs/dbraw/zinc/98/71/95/846987195.db2.gz QOGUSXSZLALMTD-ZIAGYGMSSA-N 2 0 293.411 0.210 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947956 847005732 /nfs/dbraw/zinc/00/57/32/847005732.db2.gz ASAVLCHJPIKIOQ-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199097072 847222756 /nfs/dbraw/zinc/22/27/56/847222756.db2.gz VKZMKPAFOFRZQT-CHWSQXEVSA-N 2 0 269.389 0.064 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277842 847759409 /nfs/dbraw/zinc/75/94/09/847759409.db2.gz YNLZQGDDXOOVRE-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343870 847772013 /nfs/dbraw/zinc/77/20/13/847772013.db2.gz NGAJLZADCQQXPC-LSDHHAIUSA-N 2 0 295.427 0.413 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001273895021 847784200 /nfs/dbraw/zinc/78/42/00/847784200.db2.gz ZUOJJJDHCZRPEF-GOEBONIOSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201809439 847814663 /nfs/dbraw/zinc/81/46/63/847814663.db2.gz NUXXJRCZRNZNCX-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863383 847817507 /nfs/dbraw/zinc/81/75/07/847817507.db2.gz LXTNQFFFWNVFMF-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201924057 847838457 /nfs/dbraw/zinc/83/84/57/847838457.db2.gz BDBPDULRBXCGRG-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001274906339 848590795 /nfs/dbraw/zinc/59/07/95/848590795.db2.gz AHGYOQSJKLNNIL-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001275039717 848618127 /nfs/dbraw/zinc/61/81/27/848618127.db2.gz XBTZKHBUHYTONS-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CC#CCOC ZINC001275976943 848878913 /nfs/dbraw/zinc/87/89/13/848878913.db2.gz KIUKRJRUEWZQPA-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039026429 850128260 /nfs/dbraw/zinc/12/82/60/850128260.db2.gz GCIQIYPSDCXNMW-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040937237 850329818 /nfs/dbraw/zinc/32/98/18/850329818.db2.gz VOXJVNPMLZVPNW-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059705 852152542 /nfs/dbraw/zinc/15/25/42/852152542.db2.gz DRQXALVHAWPUGY-APIJFGDWSA-N 2 0 275.396 0.208 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938470 852673739 /nfs/dbraw/zinc/67/37/39/852673739.db2.gz YMVWNUUERZARRB-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050204408 853335914 /nfs/dbraw/zinc/33/59/14/853335914.db2.gz XZZCVBJIKQPVRN-LSDHHAIUSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072981460 854507377 /nfs/dbraw/zinc/50/73/77/854507377.db2.gz IDNRQQRARVXEIA-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223285 854852354 /nfs/dbraw/zinc/85/23/54/854852354.db2.gz DMDFRVUXFRSCLM-MCIONIFRSA-N 2 0 275.396 0.990 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1)C2 ZINC001098492105 854869787 /nfs/dbraw/zinc/86/97/87/854869787.db2.gz AQMFTDPOBLZSKH-MCIONIFRSA-N 2 0 272.352 0.628 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099159901 854918870 /nfs/dbraw/zinc/91/88/70/854918870.db2.gz LQCUHDIEPZKYPY-ZOBUZTSGSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100065216 855089638 /nfs/dbraw/zinc/08/96/38/855089638.db2.gz ZJPRBDPXMJEYRR-STQMWFEESA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131997 855103872 /nfs/dbraw/zinc/10/38/72/855103872.db2.gz LWDUKDYPDPIWKJ-QWHCGFSZSA-N 2 0 269.389 0.064 20 30 CCEDRP C=C(C)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637100 855201541 /nfs/dbraw/zinc/20/15/41/855201541.db2.gz BSNIQLRVEJZBQT-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(C)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870676 855232924 /nfs/dbraw/zinc/23/29/24/855232924.db2.gz LJMPUCDDYQCVLZ-UHFFFAOYSA-N 2 0 283.416 0.625 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477325 855291318 /nfs/dbraw/zinc/29/13/18/855291318.db2.gz OIBRUSDYIKTRKQ-ZBFHGGJFSA-N 2 0 277.412 0.740 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579361 855447111 /nfs/dbraw/zinc/44/71/11/855447111.db2.gz UFKVLZOXOUMSGN-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001118216731 856208164 /nfs/dbraw/zinc/20/81/64/856208164.db2.gz ONWMZYXNSPDXSP-AWEZNQCLSA-N 2 0 294.399 0.331 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001119242834 856595111 /nfs/dbraw/zinc/59/51/11/856595111.db2.gz IFKDCOUNDQGJBN-SECBINFHSA-N 2 0 261.753 0.080 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC001120472421 857081420 /nfs/dbraw/zinc/08/14/20/857081420.db2.gz MMRXMQPUIGOJJX-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001480905559 891732865 /nfs/dbraw/zinc/73/28/65/891732865.db2.gz YJTMUQUJRUIBPZ-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001325864035 913613937 /nfs/dbraw/zinc/61/39/37/913613937.db2.gz CABUWBGPLFLFED-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001481062076 892124073 /nfs/dbraw/zinc/12/40/73/892124073.db2.gz ILAVNHUFNZHHKP-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481151308 892233660 /nfs/dbraw/zinc/23/36/60/892233660.db2.gz BPXCFNREDRPYDC-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314839 892566416 /nfs/dbraw/zinc/56/64/16/892566416.db2.gz MPAPSVWOUNEOHI-NSHDSACASA-N 2 0 259.781 0.739 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001284437951 893559848 /nfs/dbraw/zinc/55/98/48/893559848.db2.gz BAYOHISJSNYPPX-AWEZNQCLSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482861288 894652495 /nfs/dbraw/zinc/65/24/95/894652495.db2.gz UNUVZSLKBNXQTD-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482892090 894674715 /nfs/dbraw/zinc/67/47/15/894674715.db2.gz WDKJHJJRJWLTTC-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483215951 895122615 /nfs/dbraw/zinc/12/26/15/895122615.db2.gz WQISMCXJZNNVKO-STQMWFEESA-N 2 0 269.389 0.378 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001483512307 895622893 /nfs/dbraw/zinc/62/28/93/895622893.db2.gz VHXJFMYLYMXAFA-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507503839 895625905 /nfs/dbraw/zinc/62/59/05/895625905.db2.gz JULCYBHOQXIWTG-UONOGXRCSA-N 2 0 283.416 0.313 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484070914 896182627 /nfs/dbraw/zinc/18/26/27/896182627.db2.gz IYOXVBOPLYADTO-GDBMZVCRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484422314 896389395 /nfs/dbraw/zinc/38/93/95/896389395.db2.gz XGCWKRRLWNUKBD-HNNXBMFYSA-N 2 0 296.459 0.683 20 30 CCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001484963008 896681944 /nfs/dbraw/zinc/68/19/44/896681944.db2.gz JGMIJSVQAYSMJO-UHFFFAOYSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001326822030 914206031 /nfs/dbraw/zinc/20/60/31/914206031.db2.gz LPDOMZRKJYPDLU-CQSZACIVSA-N 2 0 275.396 0.590 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078007590 898175190 /nfs/dbraw/zinc/17/51/90/898175190.db2.gz UWSVPFBJNUKGOU-MGPQQGTHSA-N 2 0 281.400 0.066 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001485915588 898501656 /nfs/dbraw/zinc/50/16/56/898501656.db2.gz AEEFXHOAFWPNHT-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001486356629 898815001 /nfs/dbraw/zinc/81/50/01/898815001.db2.gz PFOYQGDZUTVHEL-KGLIPLIRSA-N 2 0 283.416 0.265 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)CCO1 ZINC001327033606 914327600 /nfs/dbraw/zinc/32/76/00/914327600.db2.gz DIGKSYWUJRZLPR-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175049288 899954884 /nfs/dbraw/zinc/95/48/84/899954884.db2.gz SIQBQUYVFBZFAI-OAHLLOKOSA-N 2 0 297.443 0.853 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187306496 900006805 /nfs/dbraw/zinc/00/68/05/900006805.db2.gz LTXLMEIRXSSECB-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001489141854 900437509 /nfs/dbraw/zinc/43/75/09/900437509.db2.gz RNMOQFVCECZMQS-MJBXVCDLSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001491261070 903471861 /nfs/dbraw/zinc/47/18/61/903471861.db2.gz IJUWQAUJSHYFNM-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001316606057 904152670 /nfs/dbraw/zinc/15/26/70/904152670.db2.gz SQCWPMJDBAKTMM-KGLIPLIRSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001281185862 904238800 /nfs/dbraw/zinc/23/88/00/904238800.db2.gz YHOLJJDKQLMDLJ-INIZCTEOSA-N 2 0 295.427 0.295 20 30 CCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281643611 904319649 /nfs/dbraw/zinc/31/96/49/904319649.db2.gz XWEJKJOIQOUXJY-AWEZNQCLSA-N 2 0 295.427 0.457 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001281769981 904344613 /nfs/dbraw/zinc/34/46/13/904344613.db2.gz BZLXUIOXMRZTQP-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001282241472 904439843 /nfs/dbraw/zinc/43/98/43/904439843.db2.gz LYEMYTVMPDKYGN-ZIAGYGMSSA-N 2 0 275.396 0.448 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283813700 905030985 /nfs/dbraw/zinc/03/09/85/905030985.db2.gz PUFUHJYLGRKZMV-LSDHHAIUSA-N 2 0 297.443 0.894 20 30 CCEDRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001491641277 907475986 /nfs/dbraw/zinc/47/59/86/907475986.db2.gz OKYDAGMZFDQVST-QWHCGFSZSA-N 2 0 269.389 0.071 20 30 CCEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491643456 907476073 /nfs/dbraw/zinc/47/60/73/907476073.db2.gz ZWSVGTGNBZTHIU-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492044947 907681056 /nfs/dbraw/zinc/68/10/56/907681056.db2.gz YFBULSNQIFDUGR-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492044949 907682144 /nfs/dbraw/zinc/68/21/44/907682144.db2.gz YFBULSNQIFDUGR-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001317119057 908993153 /nfs/dbraw/zinc/99/31/53/908993153.db2.gz HBAPSHNJUZBQMU-OKILXGFUSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317127155 909001732 /nfs/dbraw/zinc/00/17/32/909001732.db2.gz DGPMNOFEMYYRSM-IYBDPMFKSA-N 2 0 287.407 0.592 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001317219862 909052623 /nfs/dbraw/zinc/05/26/23/909052623.db2.gz BJAPYBJZQHMRGL-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001317243964 909083714 /nfs/dbraw/zinc/08/37/14/909083714.db2.gz DHQOSSAFTWKKDX-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317501034 909274284 /nfs/dbraw/zinc/27/42/84/909274284.db2.gz FAKIBLUVLFCGIK-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001318538997 909801856 /nfs/dbraw/zinc/80/18/56/909801856.db2.gz AYCUQYYIOTUVIK-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001318570752 909820672 /nfs/dbraw/zinc/82/06/72/909820672.db2.gz QMQWKRHZCOTHQC-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001318607884 909835029 /nfs/dbraw/zinc/83/50/29/909835029.db2.gz SDLMKAVMNCIMMN-INIZCTEOSA-N 2 0 289.423 0.839 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319224485 910046593 /nfs/dbraw/zinc/04/65/93/910046593.db2.gz HXKSLXKBOPPGHL-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319561120 910205421 /nfs/dbraw/zinc/20/54/21/910205421.db2.gz TUROKVLEADJBSI-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001319860560 910324965 /nfs/dbraw/zinc/32/49/65/910324965.db2.gz GUAPDRSVBIJHCL-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001320455224 910680201 /nfs/dbraw/zinc/68/02/01/910680201.db2.gz QNZCHMZGWJZKMV-OLZOCXBDSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321057795 911053911 /nfs/dbraw/zinc/05/39/11/911053911.db2.gz SLSQNCGTDBNSRN-VBROQKIQSA-N 2 0 263.385 0.754 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321532355 911356076 /nfs/dbraw/zinc/35/60/76/911356076.db2.gz DLTGPJCMPJPVTP-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001329328213 915819373 /nfs/dbraw/zinc/81/93/73/915819373.db2.gz QTPSFQPFQVRXEB-UHFFFAOYSA-N 2 0 253.390 0.646 20 30 CCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592977 916044944 /nfs/dbraw/zinc/04/49/44/916044944.db2.gz WIYJNWKZBBNNFE-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001330423538 916623748 /nfs/dbraw/zinc/62/37/48/916623748.db2.gz AJWODESCIWCYOW-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC(C[NH+](C)C)C2)CC1 ZINC001331204565 917178494 /nfs/dbraw/zinc/17/84/94/917178494.db2.gz DBVZMTAYOGRZST-UHFFFAOYSA-N 2 0 263.385 0.352 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC001332929043 918540211 /nfs/dbraw/zinc/54/02/11/918540211.db2.gz SAQWQLZHGPAJGF-LBPRGKRZSA-N 2 0 252.362 0.608 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001333294038 918780536 /nfs/dbraw/zinc/78/05/36/918780536.db2.gz VLCAOTXSWNZAMF-GFCCVEGCSA-N 2 0 285.338 0.350 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406249605 919135130 /nfs/dbraw/zinc/13/51/30/919135130.db2.gz ULQFBJYRPOLYNQ-NEPJUHHUSA-N 2 0 289.807 0.290 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001336892782 921085915 /nfs/dbraw/zinc/08/59/15/921085915.db2.gz BYONERXMPOFJMO-GDBMZVCRSA-N 2 0 292.427 0.854 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC001340839666 922234334 /nfs/dbraw/zinc/23/43/34/922234334.db2.gz UVBVCOUPWVYMIX-OAHLLOKOSA-N 2 0 287.363 0.391 20 30 CCEDRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001341064904 922331179 /nfs/dbraw/zinc/33/11/79/922331179.db2.gz UVOKUTZALXTYPB-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1CCCCCC1 ZINC001341534406 922538519 /nfs/dbraw/zinc/53/85/19/922538519.db2.gz NQAFJBLVGCOORU-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001341734311 922648354 /nfs/dbraw/zinc/64/83/54/922648354.db2.gz VTMQTAUJNYGTOS-ZIAGYGMSSA-N 2 0 282.432 0.422 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCC[NH2+]C1 ZINC001342176504 922848712 /nfs/dbraw/zinc/84/87/12/922848712.db2.gz ZXMGQDIZZVJTHT-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001358093813 926634031 /nfs/dbraw/zinc/63/40/31/926634031.db2.gz FOYIKSZOSMEGLY-FBIMIBRVSA-N 2 0 259.781 0.900 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C[NH+]2CCC1CC2 ZINC000602592667 362697784 /nfs/dbraw/zinc/69/77/84/362697784.db2.gz JRRCGUXINCXRTN-KGLIPLIRSA-N 2 0 278.400 0.950 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066245386 348738838 /nfs/dbraw/zinc/73/88/38/348738838.db2.gz XUASATWCOKRHFJ-HNNXBMFYSA-N 2 0 288.395 0.496 20 30 CCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000573914292 334976433 /nfs/dbraw/zinc/97/64/33/334976433.db2.gz XHPWYFYPILOVAJ-GPANFISMSA-N 2 0 294.443 0.514 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000277510566 353247005 /nfs/dbraw/zinc/24/70/05/353247005.db2.gz KIWMCAVPRIZWHO-ZNMIVQPWSA-N 2 0 295.427 0.524 20 30 CCEDRP N#Cc1cccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420460957 234652799 /nfs/dbraw/zinc/65/27/99/234652799.db2.gz SRTFZVQIVVXGFB-UHFFFAOYSA-N 2 0 296.396 0.247 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000594436586 360304730 /nfs/dbraw/zinc/30/47/30/360304730.db2.gz OEXBIDZLKWKWND-BDAKNGLRSA-N 2 0 280.294 0.794 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438332 360307545 /nfs/dbraw/zinc/30/75/45/360307545.db2.gz OCJPHOQMJMLMLV-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@]1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCC[NH2+]C1 ZINC000594437902 360307655 /nfs/dbraw/zinc/30/76/55/360307655.db2.gz FYNWCAWIPKYBJU-JSGCOSHPSA-N 2 0 266.389 0.904 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCCC1 ZINC000594469571 360321088 /nfs/dbraw/zinc/32/10/88/360321088.db2.gz ZHAULMVKHDEMSW-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638102858 374667551 /nfs/dbraw/zinc/66/75/51/374667551.db2.gz XRDAVNIFTNOAPF-DZGCQCFKSA-N 2 0 281.400 0.520 20 30 CCEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638828774 375395560 /nfs/dbraw/zinc/39/55/60/375395560.db2.gz GKXAPMROXUAEKF-ZDUSSCGKSA-N 2 0 270.417 0.996 20 30 CCEDRP C=CCCn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)nn1 ZINC000657296093 412953872 /nfs/dbraw/zinc/95/38/72/412953872.db2.gz RKCAHGMUDZBBBO-UHFFFAOYSA-N 2 0 292.431 0.581 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NC[C@@](C)(O)c1ccco1 ZINC000262495268 389287268 /nfs/dbraw/zinc/28/72/68/389287268.db2.gz ZZGRAAYCXHJXEK-IUODEOHRSA-N 2 0 294.399 0.604 20 30 CCEDRP CCNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264086246 389305679 /nfs/dbraw/zinc/30/56/79/389305679.db2.gz JJWOFYKPBCRESH-UHFFFAOYSA-N 2 0 291.399 0.402 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000267472244 389371178 /nfs/dbraw/zinc/37/11/78/389371178.db2.gz YCXKVYZHTBDHFG-IUODEOHRSA-N 2 0 294.399 0.876 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000334165550 389457664 /nfs/dbraw/zinc/45/76/64/389457664.db2.gz AJMYRSXHGRSGFT-UHFFFAOYSA-N 2 0 280.416 0.984 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431029151 389846491 /nfs/dbraw/zinc/84/64/91/389846491.db2.gz YORBAQMZRBCXFZ-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CCC[NH2+]1 ZINC000662770977 414778510 /nfs/dbraw/zinc/77/85/10/414778510.db2.gz DVDDFWSQQKGFDP-OUCADQQQSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000662402602 414714630 /nfs/dbraw/zinc/71/46/30/414714630.db2.gz LLWUJVFLRSIOJU-GXTWGEPZSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662431968 414718148 /nfs/dbraw/zinc/71/81/48/414718148.db2.gz NSCCTNGFSAKTEV-OUCADQQQSA-N 2 0 267.373 0.259 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2CCOC)CCC[NH2+]1 ZINC000662710556 414745071 /nfs/dbraw/zinc/74/50/71/414745071.db2.gz HADHSWQANXKHNL-ZBFHGGJFSA-N 2 0 295.427 0.912 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccco1 ZINC000178484913 261745237 /nfs/dbraw/zinc/74/52/37/261745237.db2.gz QCGTUGBAVOELPH-CYBMUJFWSA-N 2 0 291.399 0.287 20 30 CCEDRP CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272883273 263009594 /nfs/dbraw/zinc/00/95/94/263009594.db2.gz HTYUDXLHKUVKBZ-ZDUSSCGKSA-N 2 0 262.357 0.287 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)nn1C ZINC000283962896 263085129 /nfs/dbraw/zinc/08/51/29/263085129.db2.gz KPSMBMFGTXZXBW-LBPRGKRZSA-N 2 0 278.404 0.617 20 30 CCEDRP CC[C@@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@](O)(CC)C2)C1 ZINC000342176661 263392601 /nfs/dbraw/zinc/39/26/01/263392601.db2.gz WGRKKLUDCMCZHU-HZPDHXFCSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000178768871 329200151 /nfs/dbraw/zinc/20/01/51/329200151.db2.gz DOACFQZNQZQMBA-CYBMUJFWSA-N 2 0 251.374 0.895 20 30 CCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262271626 330003451 /nfs/dbraw/zinc/00/34/51/330003451.db2.gz GXTLXDQCFGCBPK-ZDUSSCGKSA-N 2 0 295.431 0.068 20 30 CCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262286125 330004263 /nfs/dbraw/zinc/00/42/63/330004263.db2.gz KEJBOVMAEVDMAD-INIZCTEOSA-N 2 0 288.395 0.969 20 30 CCEDRP C[NH+]=C(NCc1noc(C)n1)NC1CC[NH+](C(C)C)CC1 ZINC000262468006 330015105 /nfs/dbraw/zinc/01/51/05/330015105.db2.gz YXCMXVRPFGFYRB-UHFFFAOYSA-N 2 0 294.403 0.916 20 30 CCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC(C)(C)C ZINC000262737616 330029099 /nfs/dbraw/zinc/02/90/99/330029099.db2.gz AVMMFWHCZLGMRH-LBPRGKRZSA-N 2 0 267.421 0.340 20 30 CCEDRP CSC1(CNC(=[NH2+])N2CCC2)CC[NH+](C)CC1 ZINC000263051631 330040898 /nfs/dbraw/zinc/04/08/98/330040898.db2.gz DMCNMVIIDFWEIW-UHFFFAOYSA-N 2 0 256.419 0.834 20 30 CCEDRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424074745 330220553 /nfs/dbraw/zinc/22/05/53/330220553.db2.gz HVCUHFUPXPHWOD-YPMHNXCESA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000424145719 330291444 /nfs/dbraw/zinc/29/14/44/330291444.db2.gz OIFPDSKLWKBQCQ-NWDGAFQWSA-N 2 0 250.346 0.314 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000424199184 330326235 /nfs/dbraw/zinc/32/62/35/330326235.db2.gz QAYWEQDDMSSGHK-HZSPNIEDSA-N 2 0 278.400 0.998 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000490635618 332098144 /nfs/dbraw/zinc/09/81/44/332098144.db2.gz IIYCQRFGRTZDKE-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000491395609 332204230 /nfs/dbraw/zinc/20/42/30/332204230.db2.gz UAXXKTNJVHQECJ-UHFFFAOYSA-N 2 0 280.416 0.630 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000491641135 332260846 /nfs/dbraw/zinc/26/08/46/332260846.db2.gz ZPITWLQJRDQKPU-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000491652802 332265394 /nfs/dbraw/zinc/26/53/94/332265394.db2.gz AZVPMXOGQRPZEO-STQMWFEESA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000491706238 332299092 /nfs/dbraw/zinc/29/90/92/332299092.db2.gz WWRMXNNDSFIUMA-OAHLLOKOSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C[NH3+])CCCC ZINC000491745175 332323082 /nfs/dbraw/zinc/32/30/82/332323082.db2.gz NBOVAGXCXKYDHZ-ZDUSSCGKSA-N 2 0 268.405 0.758 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000491771610 332338190 /nfs/dbraw/zinc/33/81/90/332338190.db2.gz PBGJHFXVGJZUNX-CQSZACIVSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000491813888 332365586 /nfs/dbraw/zinc/36/55/86/332365586.db2.gz LICSQUCRBUEGOI-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000491820139 332370002 /nfs/dbraw/zinc/37/00/02/332370002.db2.gz QAWHGFNJAGOUMW-CYBMUJFWSA-N 2 0 280.416 0.723 20 30 CCEDRP COCC[N@H+](C)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190757568 536796049 /nfs/dbraw/zinc/79/60/49/536796049.db2.gz IDDAOERVCGXECW-UHFFFAOYSA-N 2 0 264.373 0.955 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000765506606 581522407 /nfs/dbraw/zinc/52/24/07/581522407.db2.gz JUSMARACOUWFEZ-GFCCVEGCSA-N 2 0 251.374 0.446 20 30 CCEDRP C[NH+](C)CCCNC(=S)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765575062 581525764 /nfs/dbraw/zinc/52/57/64/581525764.db2.gz FWJLHSLZSQNNCI-GFCCVEGCSA-N 2 0 283.445 0.626 20 30 CCEDRP C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CC[NH3+])C1=O ZINC000420308817 581580884 /nfs/dbraw/zinc/58/08/84/581580884.db2.gz DLHHHCYKQIHGDO-CHWSQXEVSA-N 2 0 251.374 0.977 20 30 CCEDRP CC(=NNC(N)=[NH2+])c1cccc(OCC[NH+](C)C)c1 ZINC000743531082 581816536 /nfs/dbraw/zinc/81/65/36/581816536.db2.gz DATUGBCICZLJJK-UHFFFAOYSA-N 2 0 263.345 0.834 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000764580636 582056929 /nfs/dbraw/zinc/05/69/29/582056929.db2.gz ZYVMOKBQTZJVAY-CYBMUJFWSA-N 2 0 253.390 0.904 20 30 CCEDRP C#CCOCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849017920 612985145 /nfs/dbraw/zinc/98/51/45/612985145.db2.gz NLYITNUKRWATKC-GFCCVEGCSA-N 2 0 252.362 0.234 20 30 CCEDRP C#CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905004780 612946595 /nfs/dbraw/zinc/94/65/95/612946595.db2.gz RLKWJTHSDLQJDU-OKILXGFUSA-N 2 0 276.384 0.230 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000965063122 612954792 /nfs/dbraw/zinc/95/47/92/612954792.db2.gz JWIBISPVNDNDND-PHUJGXCVSA-N 2 0 289.423 0.834 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000970802759 612962958 /nfs/dbraw/zinc/96/29/58/612962958.db2.gz BPAKKWDRTUGMDL-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176050 613004199 /nfs/dbraw/zinc/00/41/99/613004199.db2.gz KNDMUBPEWACMLU-MRXNPFEDSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961769875 613042628 /nfs/dbraw/zinc/04/26/28/613042628.db2.gz FJBSEAYRVYMHGI-TTZDDIAXSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000886579080 613066013 /nfs/dbraw/zinc/06/60/13/613066013.db2.gz XFDBMAVGQYFBND-UHFFFAOYSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270771 613072622 /nfs/dbraw/zinc/07/26/22/613072622.db2.gz ZKTJPJJRMRXURV-KBPBESRZSA-N 2 0 291.395 0.411 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891921740 613073909 /nfs/dbraw/zinc/07/39/09/613073909.db2.gz UFJCHFGWLPLSJW-AWEZNQCLSA-N 2 0 280.416 0.854 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851661193 613074181 /nfs/dbraw/zinc/07/41/81/613074181.db2.gz GHGUSWYGNDNJKS-KGLIPLIRSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000868653635 613074292 /nfs/dbraw/zinc/07/42/92/613074292.db2.gz ZCQFXNHBHXRUAR-LSDHHAIUSA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629604 613080727 /nfs/dbraw/zinc/08/07/27/613080727.db2.gz WUENKNLOYHAWGO-CQSZACIVSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000970788145 613129231 /nfs/dbraw/zinc/12/92/31/613129231.db2.gz KFDCLHCRMNZLGH-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012706 613140685 /nfs/dbraw/zinc/14/06/85/613140685.db2.gz FBGIUIQNPOZMBO-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012707 613140776 /nfs/dbraw/zinc/14/07/76/613140776.db2.gz FBGIUIQNPOZMBO-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000981843205 613142235 /nfs/dbraw/zinc/14/22/35/613142235.db2.gz WDJKCAXGCIZXLW-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP CNC(NCc1ccncc1OCCC[NH+](C)C)=[NH+]C ZINC000849028465 613218715 /nfs/dbraw/zinc/21/87/15/613218715.db2.gz WXCBAFVGAAPTRG-UHFFFAOYSA-N 2 0 279.388 0.707 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598136 613258155 /nfs/dbraw/zinc/25/81/55/613258155.db2.gz RVIPKIWBGLGZNH-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517237 613305399 /nfs/dbraw/zinc/30/53/99/613305399.db2.gz CIDSFMOXQTWOQB-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978366393 613308135 /nfs/dbraw/zinc/30/81/35/613308135.db2.gz JQBKJSRRQGTYCK-XQLPTFJDSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961965484 613315174 /nfs/dbraw/zinc/31/51/74/613315174.db2.gz ZGOASGNVMBUTGP-WCVJEAGWSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961965458 613316044 /nfs/dbraw/zinc/31/60/44/613316044.db2.gz ZGOASGNVMBUTGP-CAOSSQGBSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961142675 613319510 /nfs/dbraw/zinc/31/95/10/613319510.db2.gz FNULOURHDVHVHQ-FICVDOATSA-N 2 0 280.331 0.628 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374791 613339560 /nfs/dbraw/zinc/33/95/60/613339560.db2.gz OHDNBJCMMCAYJN-HUUCEWRRSA-N 2 0 295.427 0.313 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959926415 613345351 /nfs/dbraw/zinc/34/53/51/613345351.db2.gz VUFQWJPAMCQESX-CAOSSQGBSA-N 2 0 289.423 0.951 20 30 CCEDRP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136988 613362442 /nfs/dbraw/zinc/36/24/42/613362442.db2.gz QIWIHXCFVRQBGC-OAGGEKHMSA-N 2 0 281.444 0.881 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000901057568 613364585 /nfs/dbraw/zinc/36/45/85/613364585.db2.gz KJFSEYCKTFPUDD-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000908526777 613364907 /nfs/dbraw/zinc/36/49/07/613364907.db2.gz OFPWPLUUMKCPLU-AWEZNQCLSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000813854768 613365760 /nfs/dbraw/zinc/36/57/60/613365760.db2.gz HWLSTDMEJBSIFP-UHFFFAOYSA-N 2 0 284.448 0.446 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913677766 613365900 /nfs/dbraw/zinc/36/59/00/613365900.db2.gz DOHHXNHARDUOHG-UHFFFAOYSA-N 2 0 269.389 0.019 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831723304 613366590 /nfs/dbraw/zinc/36/65/90/613366590.db2.gz GDUQBTMLWLNMEI-LBPRGKRZSA-N 2 0 257.378 0.187 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000876799664 613388092 /nfs/dbraw/zinc/38/80/92/613388092.db2.gz IZBPRNGLQLTCMI-ZYHUDNBSSA-N 2 0 259.781 0.962 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876736852 613388242 /nfs/dbraw/zinc/38/82/42/613388242.db2.gz LEHUNXGJEHSVLO-MWLCHTKSSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877371623 613389705 /nfs/dbraw/zinc/38/97/05/613389705.db2.gz KMRCUJICURBVDN-JBLDHEPKSA-N 2 0 257.765 0.524 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000876847246 613390300 /nfs/dbraw/zinc/39/03/00/613390300.db2.gz AZACQMQRKGBPGE-CZULRBLNSA-N 2 0 259.781 0.959 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387465 613390491 /nfs/dbraw/zinc/39/04/91/613390491.db2.gz ZEBYUYPZFAIUTO-UMNHJUIQSA-N 2 0 257.765 0.857 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969971101 613531384 /nfs/dbraw/zinc/53/13/84/613531384.db2.gz WVVCLUTYPCYHMZ-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595021 613557084 /nfs/dbraw/zinc/55/70/84/613557084.db2.gz OGFCOGNIOPHWQJ-KGLIPLIRSA-N 2 0 293.411 0.067 20 30 CCEDRP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978987633 613560083 /nfs/dbraw/zinc/56/00/83/613560083.db2.gz QYMOONYZELXGJJ-QKDCVEJESA-N 2 0 289.423 0.952 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923411839 613586746 /nfs/dbraw/zinc/58/67/46/613586746.db2.gz SNIURNKXDPDVTP-CHWSQXEVSA-N 2 0 265.361 0.311 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978680415 613628662 /nfs/dbraw/zinc/62/86/62/613628662.db2.gz RXTQTNGRAVPONX-PHZGNYQRSA-N 2 0 289.423 0.646 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC000961774342 613634206 /nfs/dbraw/zinc/63/42/06/613634206.db2.gz QYUONGZCUXFOLX-TTZDDIAXSA-N 2 0 275.396 0.540 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876756134 613674856 /nfs/dbraw/zinc/67/48/56/613674856.db2.gz ORYZEFWWKLWGCE-YPMHNXCESA-N 2 0 269.364 0.701 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923493235 613778225 /nfs/dbraw/zinc/77/82/25/613778225.db2.gz FXLWVVOLYURFMA-AVGNSLFASA-N 2 0 251.374 0.690 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000969800166 613863099 /nfs/dbraw/zinc/86/30/99/613863099.db2.gz LHKWGEDTZUGEIR-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000968904569 613863203 /nfs/dbraw/zinc/86/32/03/613863203.db2.gz VSKTXOCLWQXZNR-GFCCVEGCSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CCOCCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925705341 613880414 /nfs/dbraw/zinc/88/04/14/613880414.db2.gz ALIQJPJHEDQYOA-LVEBTZEWSA-N 2 0 254.374 0.921 20 30 CCEDRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852901365 613926697 /nfs/dbraw/zinc/92/66/97/613926697.db2.gz FHLCCHRCBBVAIO-CQSZACIVSA-N 2 0 277.412 0.978 20 30 CCEDRP CC[NH+]=C(NCCO)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000153693471 614420810 /nfs/dbraw/zinc/42/08/10/614420810.db2.gz FKOLZYOBGHMOJT-WDEREUQCSA-N 2 0 254.378 0.159 20 30 CCEDRP CC[NH+](CC)C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198447 615003664 /nfs/dbraw/zinc/00/36/64/615003664.db2.gz WXKUCHPLHUAYKR-PGOFDVKTSA-N 2 0 292.427 0.972 20 30 CCEDRP CC[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876865080 615523547 /nfs/dbraw/zinc/52/35/47/615523547.db2.gz ZAXKWKYZHYPCFX-TZMCWYRMSA-N 2 0 272.352 0.599 20 30 CCEDRP CN(C)C(=[NH+]CCC[NH+]1CCC(O)CC1)N(C)C ZINC000848987836 615944906 /nfs/dbraw/zinc/94/49/06/615944906.db2.gz GCAQIDPPDHBANT-UHFFFAOYSA-N 2 0 256.394 0.312 20 30 CCEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852860404 616204749 /nfs/dbraw/zinc/20/47/49/616204749.db2.gz PYEATLGPDCUUCA-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843459239 616972232 /nfs/dbraw/zinc/97/22/32/616972232.db2.gz CRGIRVOQOXBGES-GXTWGEPZSA-N 2 0 272.352 0.290 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001022646299 622607950 /nfs/dbraw/zinc/60/79/50/622607950.db2.gz HZMDRGHNGASGTF-BETUJISGSA-N 2 0 251.374 0.751 20 30 CCEDRP CCN1CC[NH+](CCCCNC(NC)=[NH+]C)CC1 ZINC000161499218 622852177 /nfs/dbraw/zinc/85/21/77/622852177.db2.gz GBQWJHZTDUZJFO-UHFFFAOYSA-N 2 0 255.410 0.199 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CC3)C2)CC1 ZINC001023128771 622922253 /nfs/dbraw/zinc/92/22/53/622922253.db2.gz RUCYMKOCTQJGDE-IYBDPMFKSA-N 2 0 289.423 0.978 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001023275669 622975282 /nfs/dbraw/zinc/97/52/82/622975282.db2.gz QNGUJRZHEJRSEJ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCF)C1 ZINC001023423999 623026787 /nfs/dbraw/zinc/02/67/87/623026787.db2.gz LIVBGYLDBLDJRL-GJZGRUSLSA-N 2 0 295.402 0.882 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001024803410 623447402 /nfs/dbraw/zinc/44/74/02/623447402.db2.gz HUDCQFUJGVIBNZ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CCCCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303972295 624465500 /nfs/dbraw/zinc/46/55/00/624465500.db2.gz FORQRYJKMRNMSA-UHFFFAOYSA-N 2 0 269.437 0.718 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001022411685 624951782 /nfs/dbraw/zinc/95/17/82/624951782.db2.gz RYPCBNPLNQDVDI-BETUJISGSA-N 2 0 295.346 0.751 20 30 CCEDRP C=CC[N@@H+](CCOC)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914412 634676356 /nfs/dbraw/zinc/67/63/56/634676356.db2.gz URBXZSBNIFTOHC-AWEZNQCLSA-N 2 0 280.416 0.980 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001027650209 630833879 /nfs/dbraw/zinc/83/38/79/630833879.db2.gz CGFUFFDKKCUKAJ-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CCN1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007352472 650075496 /nfs/dbraw/zinc/07/54/96/650075496.db2.gz ZBGQXCVXTDZOFM-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC000987577412 632881774 /nfs/dbraw/zinc/88/17/74/632881774.db2.gz UMASTVOIJHBCOY-GOEBONIOSA-N 2 0 287.407 0.544 20 30 CCEDRP C=CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989662293 633340356 /nfs/dbraw/zinc/34/03/56/633340356.db2.gz RWQJPYGLTFXQPG-CYBMUJFWSA-N 2 0 251.374 0.658 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009201574 650139148 /nfs/dbraw/zinc/13/91/48/650139148.db2.gz LDGPZZFEEDGOHV-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)Nc1ccccn1 ZINC000170903744 637103508 /nfs/dbraw/zinc/10/35/08/637103508.db2.gz IPQJAEAJXDCIEA-UHFFFAOYSA-N 2 0 277.372 0.921 20 30 CCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992432149 637405156 /nfs/dbraw/zinc/40/51/56/637405156.db2.gz POMYCKJKVPZUMH-RHSMWYFYSA-N 2 0 287.407 0.829 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993759464 637843212 /nfs/dbraw/zinc/84/32/12/637843212.db2.gz LDIVKNWHMJCRSL-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997187970 638858314 /nfs/dbraw/zinc/85/83/14/638858314.db2.gz YFJFCHSQBSHVLL-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000997337442 638862896 /nfs/dbraw/zinc/86/28/96/638862896.db2.gz TXDSQHKCROHXNE-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997860867 638886586 /nfs/dbraw/zinc/88/65/86/638886586.db2.gz MSKZHDJXCWIHBH-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189880 638966151 /nfs/dbraw/zinc/96/61/51/638966151.db2.gz NYZXBUNDVYYYMM-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001001461332 639300978 /nfs/dbraw/zinc/30/09/78/639300978.db2.gz JDFPYGMPIICYKZ-HNNXBMFYSA-N 2 0 293.411 0.641 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794608 639339462 /nfs/dbraw/zinc/33/94/62/639339462.db2.gz JGQFATJIIYFILV-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831594 639466500 /nfs/dbraw/zinc/46/65/00/639466500.db2.gz HYIWRZUFBYHQCF-HNNXBMFYSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015610977 650590922 /nfs/dbraw/zinc/59/09/22/650590922.db2.gz CBEIXSWMFMKJRY-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015700833 650612228 /nfs/dbraw/zinc/61/22/28/650612228.db2.gz BQAGTQPSNWRXQY-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016931662 650772228 /nfs/dbraw/zinc/77/22/28/650772228.db2.gz UBFQRGXBRZYHOO-AWEZNQCLSA-N 2 0 287.407 0.686 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016969154 650775258 /nfs/dbraw/zinc/77/52/58/650775258.db2.gz JWEACOOOAVRITB-KBPBESRZSA-N 2 0 275.396 0.542 20 30 CCEDRP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000841850017 642843048 /nfs/dbraw/zinc/84/30/48/642843048.db2.gz TXVXFNWDPUUNCG-XQQFMLRXSA-N 2 0 258.325 0.223 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCCO[C@@H](C)C2)N1 ZINC000849022677 643702509 /nfs/dbraw/zinc/70/25/09/643702509.db2.gz QVIDNGJFGUVCAY-NEPJUHHUSA-N 2 0 254.378 0.425 20 30 CCEDRP [NH3+]CCOc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852796258 644002070 /nfs/dbraw/zinc/00/20/70/644002070.db2.gz OIZOZRNUYKAHQK-UHFFFAOYSA-N 2 0 287.363 0.966 20 30 CCEDRP C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852868666 644033296 /nfs/dbraw/zinc/03/32/96/644033296.db2.gz UJAAMZSXXQWSBZ-GXTWGEPZSA-N 2 0 263.385 0.588 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000852874570 644036569 /nfs/dbraw/zinc/03/65/69/644036569.db2.gz RJUNZRKPFMFUDA-HZPDHXFCSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001019023304 650931143 /nfs/dbraw/zinc/93/11/43/650931143.db2.gz IRCXGQPLDPCZEP-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC000868007674 645703899 /nfs/dbraw/zinc/70/38/99/645703899.db2.gz RVPIFMCUXZWEFY-DGCLKSJQSA-N 2 0 266.389 0.902 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179057 651046300 /nfs/dbraw/zinc/04/63/00/651046300.db2.gz MLHZKJVZWIRHCD-KBUPBQIOSA-N 2 0 293.411 0.663 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001020301142 651057755 /nfs/dbraw/zinc/05/77/55/651057755.db2.gz QDAPKHDJSLBZSG-JHJVBQTASA-N 2 0 251.374 0.894 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877273036 646775700 /nfs/dbraw/zinc/77/57/00/646775700.db2.gz BTEMAKHFFHSYLT-UONOGXRCSA-N 2 0 261.369 0.342 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC000884267943 647688710 /nfs/dbraw/zinc/68/87/10/647688710.db2.gz RKZWFEMAYQZTAD-GARWAMKOSA-N 2 0 288.395 0.479 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303771596 649824578 /nfs/dbraw/zinc/82/45/78/649824578.db2.gz CSVOIETUNRGRRO-CHWSQXEVSA-N 2 0 286.420 0.282 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303868079 649825907 /nfs/dbraw/zinc/82/59/07/649825907.db2.gz DITYTZYASKBBOX-LLVKDONJSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C)C1 ZINC000303882469 649826352 /nfs/dbraw/zinc/82/63/52/649826352.db2.gz ICEYJYPWSNUWFU-OLZOCXBDSA-N 3 0 267.421 0.327 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000303896416 649826616 /nfs/dbraw/zinc/82/66/16/649826616.db2.gz PZWIALYHQRVHOZ-ZDUSSCGKSA-N 2 0 267.421 0.493 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048685 805578852 /nfs/dbraw/zinc/57/88/52/805578852.db2.gz OQHLPPJFCILYKZ-UHFFFAOYSA-N 2 0 269.389 0.331 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048843 805579101 /nfs/dbraw/zinc/57/91/01/805579101.db2.gz WBOPIGOLBCOERY-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266432091 790692604 /nfs/dbraw/zinc/69/26/04/790692604.db2.gz QYZQLPKTSHQQNJ-CYBMUJFWSA-N 2 0 253.390 0.644 20 30 CCEDRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001266632421 791057157 /nfs/dbraw/zinc/05/71/57/791057157.db2.gz DOPXZBCINRGWPS-IHRRRGAJSA-N 2 0 281.400 0.213 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266879423 791317545 /nfs/dbraw/zinc/31/75/45/791317545.db2.gz WGLSFCOJOGSZHB-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277937810 806409197 /nfs/dbraw/zinc/40/91/97/806409197.db2.gz JAJBVPRDIPNEGB-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235871804 806512464 /nfs/dbraw/zinc/51/24/64/806512464.db2.gz ZDLMWLKPAMMOIP-UHFFFAOYSA-N 2 0 293.440 0.204 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278078566 806654190 /nfs/dbraw/zinc/65/41/90/806654190.db2.gz XLKRTILQRXZYOA-KBPBESRZSA-N 2 0 283.416 0.502 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001120574246 798871488 /nfs/dbraw/zinc/87/14/88/798871488.db2.gz LOVYZSUMTZJWKX-KGLIPLIRSA-N 2 0 268.405 0.124 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001120574424 798872065 /nfs/dbraw/zinc/87/20/65/798872065.db2.gz LOVYZSUMTZJWKX-UONOGXRCSA-N 2 0 268.405 0.124 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001121930194 799097720 /nfs/dbraw/zinc/09/77/20/799097720.db2.gz XUPYAULTAVZKEM-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001151049577 800389690 /nfs/dbraw/zinc/38/96/90/800389690.db2.gz SLCGCYJPGSBOPW-HNNXBMFYSA-N 2 0 286.379 0.716 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152457330 800523116 /nfs/dbraw/zinc/52/31/16/800523116.db2.gz BYZQBYLTCDQKCG-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152474021 800527186 /nfs/dbraw/zinc/52/71/86/800527186.db2.gz YLKHCXFCNCKYHW-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445716 800631706 /nfs/dbraw/zinc/63/17/06/800631706.db2.gz GYGWJMDLCJUKIN-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP N#Cc1cnc(NC(=[NH2+])NCCCC[NH3+])c(F)c1 ZINC001157100008 801300101 /nfs/dbraw/zinc/30/01/01/801300101.db2.gz WCMNUSOLKFSNHL-UHFFFAOYSA-N 2 0 250.281 0.768 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157886192 801510450 /nfs/dbraw/zinc/51/04/50/801510450.db2.gz BNVKLUWTRLCBMB-CYBMUJFWSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOc1cc(C)nc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001159785735 801870564 /nfs/dbraw/zinc/87/05/64/801870564.db2.gz SHEHHAFIOUIPPU-JTQLQIEISA-N 2 0 251.334 0.785 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001160267582 801924058 /nfs/dbraw/zinc/92/40/58/801924058.db2.gz OGKPODHVGDKFMB-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426925 801939003 /nfs/dbraw/zinc/93/90/03/801939003.db2.gz KHUGPQPQNUMZTM-ZDUSSCGKSA-N 2 0 253.390 0.692 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C#N ZINC001160636606 801984312 /nfs/dbraw/zinc/98/43/12/801984312.db2.gz IQYBBKYYHHSCQE-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP N#C[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160640550 801986142 /nfs/dbraw/zinc/98/61/42/801986142.db2.gz HGVCVOFBYUZRNN-QWHCGFSZSA-N 2 0 276.384 0.623 20 30 CCEDRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)CC[NH2+]1 ZINC001161017167 802063818 /nfs/dbraw/zinc/06/38/18/802063818.db2.gz JAOVXNCCCSBPAM-BXUZGUMPSA-N 2 0 272.352 0.768 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161548411 802176861 /nfs/dbraw/zinc/17/68/61/802176861.db2.gz RRMNSSFTYMMDKL-HNNXBMFYSA-N 2 0 298.390 0.783 20 30 CCEDRP N#Cc1cnc(Cl)nc1NCCC[NH2+]CCCC[NH3+] ZINC001162290359 802301315 /nfs/dbraw/zinc/30/13/15/802301315.db2.gz QKRMHOHDEFXEKB-UHFFFAOYSA-N 2 0 282.779 0.554 20 30 CCEDRP C=CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162460056 802342958 /nfs/dbraw/zinc/34/29/58/802342958.db2.gz RIDCEVQIYFTOGI-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278799425 808267164 /nfs/dbraw/zinc/26/71/64/808267164.db2.gz AVEVCAYFAAMXMF-HOCLYGCPSA-N 2 0 295.427 0.600 20 30 CCEDRP N#Cc1c2c(cnc1N1CCC([NH3+])CC1)C[NH2+]CCC2 ZINC001166661848 802932682 /nfs/dbraw/zinc/93/26/82/802932682.db2.gz UGMSSRZCMKUXKA-UHFFFAOYSA-N 2 0 271.368 0.917 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028538319 812828025 /nfs/dbraw/zinc/82/80/25/812828025.db2.gz BMKLEAWGWVNTOA-GOEBONIOSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537078 812829113 /nfs/dbraw/zinc/82/91/13/812829113.db2.gz GTYZYEWKZCSWJU-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001276421600 803046405 /nfs/dbraw/zinc/04/64/05/803046405.db2.gz LOSSJSFEDMYBBM-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001205457750 803142183 /nfs/dbraw/zinc/14/21/83/803142183.db2.gz NYUTVGSMNVKWOT-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208453642 803515197 /nfs/dbraw/zinc/51/51/97/803515197.db2.gz MDMZPLFXUIWQBO-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001276656881 803616070 /nfs/dbraw/zinc/61/60/70/803616070.db2.gz SRRJLFXAYZGNKZ-JSGCOSHPSA-N 2 0 263.385 0.446 20 30 CCEDRP C=C1CC[NH2+]C[C@H]1OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833429 803917440 /nfs/dbraw/zinc/91/74/40/803917440.db2.gz WFWKPLHOHQTMDZ-FQUUOJAGSA-N 2 0 252.358 0.688 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(C#N)c1C ZINC001218555595 804003222 /nfs/dbraw/zinc/00/32/22/804003222.db2.gz JFRYWSIGRMDASB-NSHDSACASA-N 2 0 263.345 0.898 20 30 CCEDRP Cc1coc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1C#N ZINC001218763628 804114919 /nfs/dbraw/zinc/11/49/19/804114919.db2.gz BGZZALJHUBBGRG-QMTHXVAHSA-N 2 0 274.324 0.597 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218980309 804172635 /nfs/dbraw/zinc/17/26/35/804172635.db2.gz ARAQHLLCJQQUED-LLVKDONJSA-N 2 0 285.351 0.347 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(C#N)c1 ZINC001219392993 804295762 /nfs/dbraw/zinc/29/57/62/804295762.db2.gz HRWZTHALOYSNDG-CQSZACIVSA-N 2 0 283.335 0.695 20 30 CCEDRP N#CC1(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCC1 ZINC001219632074 804382622 /nfs/dbraw/zinc/38/26/22/804382622.db2.gz GYNRQSSHQCPGGR-LLVKDONJSA-N 2 0 250.346 0.123 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830491 804430237 /nfs/dbraw/zinc/43/02/37/804430237.db2.gz YCTSMZGFBIWTHY-KFWWJZLASA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219853978 804432989 /nfs/dbraw/zinc/43/29/89/804432989.db2.gz ARORSLCRVLZIAH-ZOBORPQBSA-N 2 0 281.400 0.553 20 30 CCEDRP Cc1ccc(C(=NC(=O)C[C@@H]([NH3+])CCCC[NH3+])NO)nc1 ZINC001220337718 804577894 /nfs/dbraw/zinc/57/78/94/804577894.db2.gz XXTBTMAZPVCJMP-NSHDSACASA-N 2 0 293.371 0.488 20 30 CCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC001220885008 804689837 /nfs/dbraw/zinc/68/98/37/804689837.db2.gz VNZDUPXYCODWPX-KGLIPLIRSA-N 2 0 272.352 0.296 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC001220886922 804691246 /nfs/dbraw/zinc/69/12/46/804691246.db2.gz PNUWGPJPZMOVJI-ZIAGYGMSSA-N 2 0 272.352 0.816 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091371 804730150 /nfs/dbraw/zinc/73/01/50/804730150.db2.gz LUVCDCMLFDKWQQ-KGLIPLIRSA-N 2 0 283.416 0.454 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCCC[NH3+] ZINC001221345048 804783395 /nfs/dbraw/zinc/78/33/95/804783395.db2.gz LUZPACODRPEVTQ-ZDUSSCGKSA-N 2 0 260.341 0.283 20 30 CCEDRP N#CC1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC001221365847 804787970 /nfs/dbraw/zinc/78/79/70/804787970.db2.gz CTOFIYHXLGAHRX-HNNXBMFYSA-N 2 0 298.390 0.491 20 30 CCEDRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001229678311 805547433 /nfs/dbraw/zinc/54/74/33/805547433.db2.gz AQYFBWXMDAPCIQ-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278399185 807066759 /nfs/dbraw/zinc/06/67/59/807066759.db2.gz VEWYHKIIWQLMSB-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984279 807107242 /nfs/dbraw/zinc/10/72/42/807107242.db2.gz IVVTZSCPXAZBDC-UONOGXRCSA-N 2 0 267.417 0.777 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989702 807107788 /nfs/dbraw/zinc/10/77/88/807107788.db2.gz NROMCBFKVGCGHP-CQSZACIVSA-N 2 0 253.390 0.339 20 30 CCEDRP C#Cc1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246260773 807199546 /nfs/dbraw/zinc/19/95/46/807199546.db2.gz ALGXMCZTZHPMSK-HNNXBMFYSA-N 2 0 255.365 0.852 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001278486764 807462800 /nfs/dbraw/zinc/46/28/00/807462800.db2.gz JKMQTWLCVATUFX-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001272226209 815127204 /nfs/dbraw/zinc/12/72/04/815127204.db2.gz UNEQKKXMRQYCKC-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037580 815139707 /nfs/dbraw/zinc/13/97/07/815139707.db2.gz SNSWJIIJMFDCBP-UHFFFAOYSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001251857535 807722882 /nfs/dbraw/zinc/72/28/82/807722882.db2.gz FFMMGMFRCPZHQW-QLFBSQMISA-N 2 0 266.385 0.271 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001251857538 807723390 /nfs/dbraw/zinc/72/33/90/807723390.db2.gz FFMMGMFRCPZHQW-ZNMIVQPWSA-N 2 0 266.385 0.271 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001252470378 807880861 /nfs/dbraw/zinc/88/08/61/807880861.db2.gz KITXKWORDZMIMB-UONOGXRCSA-N 2 0 254.374 0.578 20 30 CCEDRP CC[NH+](CC)C[C@H](O)CNC1(C#N)CC[NH+](C)CC1 ZINC001253214138 808035770 /nfs/dbraw/zinc/03/57/70/808035770.db2.gz NUVUAZMVHXTWGW-CYBMUJFWSA-N 2 0 268.405 0.267 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001278728715 808076790 /nfs/dbraw/zinc/07/67/90/808076790.db2.gz SENWTKDBBOSYSN-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777108 808215175 /nfs/dbraw/zinc/21/51/75/808215175.db2.gz SUPCPPOWSWIFPJ-ZBFHGGJFSA-N 2 0 295.427 0.598 20 30 CCEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)O1 ZINC001254642775 808268374 /nfs/dbraw/zinc/26/83/74/808268374.db2.gz GVUSAZICFUQUGM-RYMFRWLXSA-N 2 0 267.373 0.993 20 30 CCEDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC[C@H](C#N)C2)O1 ZINC001254642774 808268502 /nfs/dbraw/zinc/26/85/02/808268502.db2.gz GVUSAZICFUQUGM-ODXJTPSBSA-N 2 0 267.373 0.993 20 30 CCEDRP C[NH+](C)CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254654501 808270703 /nfs/dbraw/zinc/27/07/03/808270703.db2.gz UXXLJGWEMPLCEU-KGLIPLIRSA-N 2 0 250.390 0.858 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001278804221 808274948 /nfs/dbraw/zinc/27/49/48/808274948.db2.gz OFTXPZFZLMZTID-AWEZNQCLSA-N 2 0 283.416 0.313 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001278868775 808391420 /nfs/dbraw/zinc/39/14/20/808391420.db2.gz IIQJNGBJUQABCD-ZIAGYGMSSA-N 2 0 283.416 0.408 20 30 CCEDRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC001262038815 809169278 /nfs/dbraw/zinc/16/92/78/809169278.db2.gz ALQCIUTYVHXQLW-LOWDOPEQSA-N 2 0 278.400 0.900 20 30 CCEDRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC001262038816 809169423 /nfs/dbraw/zinc/16/94/23/809169423.db2.gz ALQCIUTYVHXQLW-RVMXOQNASA-N 2 0 278.400 0.900 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2([C@H](C)[NH3+])CCOCC2)CC1 ZINC001263100064 809442557 /nfs/dbraw/zinc/44/25/57/809442557.db2.gz BXIDEOFZFAXVAT-ZDUSSCGKSA-N 2 0 295.427 0.897 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001263101618 809444539 /nfs/dbraw/zinc/44/45/39/809444539.db2.gz XEDRGTDNHICPSZ-GFCCVEGCSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001263975305 809614962 /nfs/dbraw/zinc/61/49/62/809614962.db2.gz DJNLYVSEMKWXOU-RRFJBIMHSA-N 2 0 295.427 0.577 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266143629 809947389 /nfs/dbraw/zinc/94/73/89/809947389.db2.gz HYBHTYUFCVCAMW-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266169178 809953883 /nfs/dbraw/zinc/95/38/83/809953883.db2.gz SGAYQUKXIKHIOH-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174588 809954275 /nfs/dbraw/zinc/95/42/75/809954275.db2.gz MYEWEHXAIMLWTR-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001267334169 811170843 /nfs/dbraw/zinc/17/08/43/811170843.db2.gz ATQNLFCZRFWKBP-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267766621 811763201 /nfs/dbraw/zinc/76/32/01/811763201.db2.gz JTJBWXUKQFMRRX-KBPBESRZSA-N 2 0 265.401 0.739 20 30 CCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C3(CC3)C2)c1 ZINC001161545551 812075444 /nfs/dbraw/zinc/07/54/44/812075444.db2.gz XDRKVPUXQHTFKQ-AWEZNQCLSA-N 2 0 284.363 0.392 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027894258 812125877 /nfs/dbraw/zinc/12/58/77/812125877.db2.gz LKMBUWVJSISBBT-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028094285 812273770 /nfs/dbraw/zinc/27/37/70/812273770.db2.gz WRKFACYWJUYNPD-CABCVRRESA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421823 812524667 /nfs/dbraw/zinc/52/46/67/812524667.db2.gz NYRODVTWWAYEHK-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028262933 812529195 /nfs/dbraw/zinc/52/91/95/812529195.db2.gz GFHROTHNACRHRH-ZDUSSCGKSA-N 2 0 261.369 0.296 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684814 812561993 /nfs/dbraw/zinc/56/19/93/812561993.db2.gz UGHFWEFCMZLUMA-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028444905 812711415 /nfs/dbraw/zinc/71/14/15/812711415.db2.gz IGWWOAZOPDWDIW-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269142906 813238629 /nfs/dbraw/zinc/23/86/29/813238629.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028933434 813672539 /nfs/dbraw/zinc/67/25/39/813672539.db2.gz OWJBOUSGRMJXLN-CYBMUJFWSA-N 2 0 286.379 0.833 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028986941 813726311 /nfs/dbraw/zinc/72/63/11/813726311.db2.gz VBXZQRRPZQVZDS-STQMWFEESA-N 2 0 251.374 0.562 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908704 814266827 /nfs/dbraw/zinc/26/68/27/814266827.db2.gz KZLBSGWQWCCBLJ-PMPSAXMXSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170350 814437292 /nfs/dbraw/zinc/43/72/92/814437292.db2.gz OJKHAEAQPAEJML-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP CC#CC[NH2+]CCN(CCO)C(=O)C[NH+]1CCC(C)CC1 ZINC001272284691 816252723 /nfs/dbraw/zinc/25/27/23/816252723.db2.gz OGACZXMUJZJZIC-UHFFFAOYSA-N 2 0 295.427 0.152 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046319707 816501220 /nfs/dbraw/zinc/50/12/20/816501220.db2.gz VLSCPSDLPGCSED-NVXWUHKLSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127262654 816535322 /nfs/dbraw/zinc/53/53/22/816535322.db2.gz PGBAUFBCJKFUHQ-UONOGXRCSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001122046324 816556542 /nfs/dbraw/zinc/55/65/42/816556542.db2.gz BGMJPUIXBGHSCT-JHJVBQTASA-N 2 0 269.389 0.492 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031921282 817464894 /nfs/dbraw/zinc/46/48/94/817464894.db2.gz LXZVPLSYMQXEFA-OAHLLOKOSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976510 817514534 /nfs/dbraw/zinc/51/45/34/817514534.db2.gz NHEPTMXXKNMUOI-TZMCWYRMSA-N 2 0 263.385 0.255 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130156 817657274 /nfs/dbraw/zinc/65/72/74/817657274.db2.gz GXOVQFIZTQUICJ-UHFFFAOYSA-N 2 0 261.369 0.154 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC=C)C2)CC1 ZINC001032207668 817703947 /nfs/dbraw/zinc/70/39/47/817703947.db2.gz XEKFAWBLXUPUQO-UHFFFAOYSA-N 2 0 289.423 0.956 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032315164 817846696 /nfs/dbraw/zinc/84/66/96/817846696.db2.gz DALTZSPAOOIKOA-IHRRRGAJSA-N 2 0 263.385 0.942 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034489379 819220337 /nfs/dbraw/zinc/22/03/37/819220337.db2.gz BXUCKVJALLFIDJ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079494772 820412690 /nfs/dbraw/zinc/41/26/90/820412690.db2.gz OGGIGOWUUGUOLP-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC=C)C[C@H]2C)CC1 ZINC001080998237 820669560 /nfs/dbraw/zinc/66/95/60/820669560.db2.gz WQVKQTANZXKOLP-GDBMZVCRSA-N 2 0 289.423 0.954 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520740 820994692 /nfs/dbraw/zinc/99/46/92/820994692.db2.gz QBPDBUBTTZCQTL-AAVRWANBSA-N 2 0 263.385 0.396 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082919879 821060465 /nfs/dbraw/zinc/06/04/65/821060465.db2.gz IRVKWDGMWBRAMY-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099988305 821870245 /nfs/dbraw/zinc/87/02/45/821870245.db2.gz GOYTXTOOFLYXAR-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001086278428 822185082 /nfs/dbraw/zinc/18/50/82/822185082.db2.gz WFTFCUUUMHOOQF-ZNMIVQPWSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086465458 822269185 /nfs/dbraw/zinc/26/91/85/822269185.db2.gz FATSSSDCSYVZEB-MQMHXKEQSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115341984 836701949 /nfs/dbraw/zinc/70/19/49/836701949.db2.gz NLVMKROGWWQUED-NHAGDIPZSA-N 2 0 290.367 0.132 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550295 836863147 /nfs/dbraw/zinc/86/31/47/836863147.db2.gz CKCDPCNVUHUILR-JHJVBQTASA-N 2 0 251.374 0.609 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158525 844849103 /nfs/dbraw/zinc/84/91/03/844849103.db2.gz RVOJASUHJVLSOU-CQSZACIVSA-N 2 0 283.416 0.720 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196524 838019579 /nfs/dbraw/zinc/01/95/79/838019579.db2.gz JHSVMXZUKXGMDC-UHFFFAOYSA-N 2 0 283.335 0.610 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286697 838352596 /nfs/dbraw/zinc/35/25/96/838352596.db2.gz MXADZQAIJHSGDO-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893624 838514761 /nfs/dbraw/zinc/51/47/61/838514761.db2.gz WFXLXQRGSXJFHN-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230611 844366191 /nfs/dbraw/zinc/36/61/91/844366191.db2.gz WWPJVGVDAJMFBU-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021367 838819497 /nfs/dbraw/zinc/81/94/97/838819497.db2.gz ZPSCGXKDKUCGFL-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054714 838839428 /nfs/dbraw/zinc/83/94/28/838839428.db2.gz QANAVTIQTGLXRI-ZDUSSCGKSA-N 2 0 269.389 0.379 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185266037 844390730 /nfs/dbraw/zinc/39/07/30/844390730.db2.gz YGRXJXIZFMAOAS-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134766390 839067060 /nfs/dbraw/zinc/06/70/60/839067060.db2.gz GYTWEJGRLVPUMH-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102956 839162429 /nfs/dbraw/zinc/16/24/29/839162429.db2.gz RAKORVJXCSPEFF-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688088 839360540 /nfs/dbraw/zinc/36/05/40/839360540.db2.gz ATQOGACMTMBRLY-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185683313 844444949 /nfs/dbraw/zinc/44/49/49/844444949.db2.gz WURSLLXRBYRDQB-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP N#Cc1nc(N[C@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170895332 839540498 /nfs/dbraw/zinc/54/04/98/839540498.db2.gz RNBQXAJWPHYWAY-VIFPVBQESA-N 2 0 250.262 0.297 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090541773 839629236 /nfs/dbraw/zinc/62/92/36/839629236.db2.gz XYIBMJMCENIZLI-UONOGXRCSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CCC[NH2+]C1 ZINC001246313754 839785072 /nfs/dbraw/zinc/78/50/72/839785072.db2.gz SRNCXKFHRFRZAB-STQMWFEESA-N 2 0 269.389 0.555 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146398018 840295356 /nfs/dbraw/zinc/29/53/56/840295356.db2.gz LEYRDLQWBJTDER-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[C@]1(C(=O)N(C)[C@@H]2CCCC[C@H]2[NH3+])CCC[NH2+]1 ZINC001161065603 840692010 /nfs/dbraw/zinc/69/20/10/840692010.db2.gz YAEQCJOUFBUKEG-UMVBOHGHSA-N 2 0 263.385 0.860 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148153480 840747948 /nfs/dbraw/zinc/74/79/48/840747948.db2.gz OHHOQTAXLSNRLK-UHFFFAOYSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774455 841071357 /nfs/dbraw/zinc/07/13/57/841071357.db2.gz MUJAXVKBVFXXQV-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349688 842171612 /nfs/dbraw/zinc/17/16/12/842171612.db2.gz XFCNDIQKIPNAGV-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731151 842912858 /nfs/dbraw/zinc/91/28/58/842912858.db2.gz MPWBVAXZTPBWAF-BARDWOONSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179986891 843091404 /nfs/dbraw/zinc/09/14/04/843091404.db2.gz GDFYZQONVDKTSY-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471998 845138625 /nfs/dbraw/zinc/13/86/25/845138625.db2.gz ZOEQBQOVDHCFML-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001273591330 845307731 /nfs/dbraw/zinc/30/77/31/845307731.db2.gz OFPXIQDOIDWOBV-CYBMUJFWSA-N 2 0 251.374 0.352 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190370982 845398940 /nfs/dbraw/zinc/39/89/40/845398940.db2.gz MYBFUZFFUGWLPY-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046315 845769293 /nfs/dbraw/zinc/76/92/93/845769293.db2.gz MRBMRBTXOKIUFB-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193600904 846137655 /nfs/dbraw/zinc/13/76/55/846137655.db2.gz OKOBOGONURFFNT-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193892576 846176424 /nfs/dbraw/zinc/17/64/24/846176424.db2.gz SUMHOIGHBRKCTJ-RRFJBIMHSA-N 2 0 295.427 0.598 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273710443 846662508 /nfs/dbraw/zinc/66/25/08/846662508.db2.gz VFTQCYYBXDTPTF-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057563 846834166 /nfs/dbraw/zinc/83/41/66/846834166.db2.gz DVHFLGZDNDJSFD-RBSFLKMASA-N 2 0 297.443 0.844 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)C[N@H+](C)C(C)C ZINC001273772559 847166382 /nfs/dbraw/zinc/16/63/82/847166382.db2.gz YUDNQISAIVLOMY-UHFFFAOYSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536896 847646019 /nfs/dbraw/zinc/64/60/19/847646019.db2.gz IQPKORFMQWLGPH-QLFBSQMISA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536289 847646141 /nfs/dbraw/zinc/64/61/41/847646141.db2.gz CEZZBMBTPIFHDG-RBSFLKMASA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200858879 847694227 /nfs/dbraw/zinc/69/42/27/847694227.db2.gz IIHHGDJLLWNDPP-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334500 847770930 /nfs/dbraw/zinc/77/09/30/847770930.db2.gz JLBYTIXYNLLPNP-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863381 847817068 /nfs/dbraw/zinc/81/70/68/847817068.db2.gz LXTNQFFFWNVFMF-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049363 847851845 /nfs/dbraw/zinc/85/18/45/847851845.db2.gz MKEJGUOZWVBTSO-CQSZACIVSA-N 2 0 281.400 0.475 20 30 CCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001273931256 847866169 /nfs/dbraw/zinc/86/61/69/847866169.db2.gz ZUTPCMHMMBVHET-ZBFHGGJFSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001252589174 848027574 /nfs/dbraw/zinc/02/75/74/848027574.db2.gz KKSCKAKDJJRLHP-CQSZACIVSA-N 2 0 255.406 0.493 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001275135025 848646886 /nfs/dbraw/zinc/64/68/86/848646886.db2.gz DYSNQEVCNMJURD-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788768 850501500 /nfs/dbraw/zinc/50/15/00/850501500.db2.gz IFZZBOWGLSRMOB-MRXNPFEDSA-N 2 0 287.407 0.640 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788767 850502641 /nfs/dbraw/zinc/50/26/41/850502641.db2.gz IFZZBOWGLSRMOB-INIZCTEOSA-N 2 0 287.407 0.640 20 30 CCEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046570327 851553551 /nfs/dbraw/zinc/55/35/51/851553551.db2.gz ZCPLWXOMGJWGFF-OFQRWUPVSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776311 851611616 /nfs/dbraw/zinc/61/16/16/851611616.db2.gz DHVVRIHMIHGOAF-OAHLLOKOSA-N 2 0 275.396 0.686 20 30 CCEDRP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047528480 851801143 /nfs/dbraw/zinc/80/11/43/851801143.db2.gz RSYFZARQFVIOKB-ILXRZTDVSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048721286 852031964 /nfs/dbraw/zinc/03/19/64/852031964.db2.gz ZRMSRVMXHLDAMK-HZSPNIEDSA-N 2 0 261.369 0.104 20 30 CCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823974 852075857 /nfs/dbraw/zinc/07/58/57/852075857.db2.gz OZEBLUQVOQGRLP-OWCLPIDISA-N 2 0 289.423 0.904 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001048849166 852081731 /nfs/dbraw/zinc/08/17/31/852081731.db2.gz DLSLDCMUAMOBCK-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130619 853320384 /nfs/dbraw/zinc/32/03/84/853320384.db2.gz CVUWCRWIHMPFMP-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC)C2)CC1 ZINC001051943452 853660753 /nfs/dbraw/zinc/66/07/53/853660753.db2.gz MGMLIHPFJYZJET-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001072752359 854457651 /nfs/dbraw/zinc/45/76/51/854457651.db2.gz GZVDYEVGJHXQSC-LSDHHAIUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001072858843 854481514 /nfs/dbraw/zinc/48/15/14/854481514.db2.gz KOVHABJIWKNYJR-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072982934 854506424 /nfs/dbraw/zinc/50/64/24/854506424.db2.gz GJZYRHPGDNDVHB-KBPBESRZSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073128029 854534525 /nfs/dbraw/zinc/53/45/25/854534525.db2.gz OPJYYLBWSVHOQZ-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](CC#C)CC3)C2)C1 ZINC001073459209 854559814 /nfs/dbraw/zinc/55/98/14/854559814.db2.gz RQOXOPGHSAJPHG-UHFFFAOYSA-N 2 0 299.418 0.499 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890545 854660344 /nfs/dbraw/zinc/66/03/44/854660344.db2.gz GBVYLCJAWMPBQM-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081456 855094311 /nfs/dbraw/zinc/09/43/11/855094311.db2.gz SRUVJSYOFDOFAV-GJZGRUSLSA-N 2 0 295.427 0.293 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100187900 855113195 /nfs/dbraw/zinc/11/31/95/855113195.db2.gz RJRDUFJDOSWMRC-RUXDESIVSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001100562305 855189035 /nfs/dbraw/zinc/18/90/35/855189035.db2.gz ICNZTQUARNMPQX-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C[NH+]1CCC(NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001256200342 855218637 /nfs/dbraw/zinc/21/86/37/855218637.db2.gz RQVMEZXQGOZZHW-UHFFFAOYSA-N 2 0 295.408 0.890 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111875067 855601984 /nfs/dbraw/zinc/60/19/84/855601984.db2.gz PQFUBEZMKOJTAJ-DZKIICNBSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926766 855606151 /nfs/dbraw/zinc/60/61/51/855606151.db2.gz HNCMHVXLPVDEBB-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115153155 855646838 /nfs/dbraw/zinc/64/68/38/855646838.db2.gz ZMKUUVKUBIMBCF-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001120472758 857081703 /nfs/dbraw/zinc/08/17/03/857081703.db2.gz SGBRJKFGLQSXMU-HNNXBMFYSA-N 2 0 294.443 0.658 20 30 CCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325866329 913620869 /nfs/dbraw/zinc/62/08/69/913620869.db2.gz VPNICYIFQCFSDU-GOEBONIOSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481170284 892262811 /nfs/dbraw/zinc/26/28/11/892262811.db2.gz KVDAJUADTCTZKR-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481424052 892640371 /nfs/dbraw/zinc/64/03/71/892640371.db2.gz NBKLHBUSYVSIJG-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481639419 892944910 /nfs/dbraw/zinc/94/49/10/892944910.db2.gz ZIEKJNLFJWQZCL-CQSZACIVSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482728098 894549421 /nfs/dbraw/zinc/54/94/21/894549421.db2.gz DZSMHODNNSBLRQ-KGLIPLIRSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383058 895522173 /nfs/dbraw/zinc/52/21/73/895522173.db2.gz DZTZUVQJCSQKOC-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001483779404 896050194 /nfs/dbraw/zinc/05/01/94/896050194.db2.gz URXADDNRDFJOFK-UHFFFAOYSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001483941213 896125912 /nfs/dbraw/zinc/12/59/12/896125912.db2.gz PUBKZNPGMUNQGR-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485802727 897255219 /nfs/dbraw/zinc/25/52/19/897255219.db2.gz BCZBENMYFOCIQP-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485827785 897469986 /nfs/dbraw/zinc/46/99/86/897469986.db2.gz REXPPMJGNQZCLV-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272782308 897664928 /nfs/dbraw/zinc/66/49/28/897664928.db2.gz NHEGUSZYIPNSQP-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnc1 ZINC001032551270 897737605 /nfs/dbraw/zinc/73/76/05/897737605.db2.gz OZSNUPWJCYWDBR-STQMWFEESA-N 2 0 260.341 0.744 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174452 898282505 /nfs/dbraw/zinc/28/25/05/898282505.db2.gz LUCPXCIYGUMVNH-MGPQQGTHSA-N 2 0 281.400 0.066 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001326879119 914246552 /nfs/dbraw/zinc/24/65/52/914246552.db2.gz IUXWPBTUIZJGTP-VXGBXAGGSA-N 2 0 252.362 0.595 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001485899984 898512386 /nfs/dbraw/zinc/51/23/86/898512386.db2.gz ZMORFOSPVNTJMH-ZDUSSCGKSA-N 2 0 297.362 0.951 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486239954 898723720 /nfs/dbraw/zinc/72/37/20/898723720.db2.gz HNRXBEYTEDVOGA-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001324272937 899642054 /nfs/dbraw/zinc/64/20/54/899642054.db2.gz FBVSCTWFIVXLIS-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390202 900012725 /nfs/dbraw/zinc/01/27/25/900012725.db2.gz PBTKPHQBTWBEGL-GJZGRUSLSA-N 2 0 293.411 0.263 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC001326047182 900053638 /nfs/dbraw/zinc/05/36/38/900053638.db2.gz QMXHEKUYITUXPK-GHMZBOCLSA-N 2 0 252.362 0.512 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001490700378 900711146 /nfs/dbraw/zinc/71/11/46/900711146.db2.gz SLVAVUDDRPMEKT-AWEZNQCLSA-N 2 0 277.412 0.836 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001327660520 914687093 /nfs/dbraw/zinc/68/70/93/914687093.db2.gz AQPXKSVVIBOYCL-NEPJUHHUSA-N 2 0 252.362 0.513 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001327670497 914695640 /nfs/dbraw/zinc/69/56/40/914695640.db2.gz WIRKDVPRWVSDSG-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001490947964 903263718 /nfs/dbraw/zinc/26/37/18/903263718.db2.gz FILBFCHKRXPIBH-HDJSIYSDSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491070700 903333431 /nfs/dbraw/zinc/33/34/31/903333431.db2.gz XGWHQFCBHGKXLK-MCIONIFRSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001491556568 903926137 /nfs/dbraw/zinc/92/61/37/903926137.db2.gz AJGAVLOKRSKPEX-UKRRQHHQSA-N 2 0 295.427 0.910 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001282449336 904478282 /nfs/dbraw/zinc/47/82/82/904478282.db2.gz KAFJLHVOUOUFEQ-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCCOCC[N@@H+](C)CC ZINC001283377142 904832321 /nfs/dbraw/zinc/83/23/21/904832321.db2.gz IRSLQVKDSUCLFT-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283556058 904908001 /nfs/dbraw/zinc/90/80/01/904908001.db2.gz KDGMGDCCOMJGCN-HUUCEWRRSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001327926824 914867464 /nfs/dbraw/zinc/86/74/64/914867464.db2.gz UIIUAGVRSAMLRZ-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001284460223 905305052 /nfs/dbraw/zinc/30/50/52/905305052.db2.gz QTQDAXYCRNXROE-HNNXBMFYSA-N 2 0 295.427 0.151 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501416 905336335 /nfs/dbraw/zinc/33/63/35/905336335.db2.gz DHKLDKRTHGIZFV-LSDHHAIUSA-N 2 0 295.427 0.245 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492026948 907695602 /nfs/dbraw/zinc/69/56/02/907695602.db2.gz FRIBHDATCIGABL-MGPQQGTHSA-N 2 0 265.401 0.834 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313437695 908665943 /nfs/dbraw/zinc/66/59/43/908665943.db2.gz CCMAVJKXZURIAI-OAHLLOKOSA-N 2 0 292.427 0.821 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317343489 909150739 /nfs/dbraw/zinc/15/07/39/909150739.db2.gz LLFOXTMACRGBGC-UONOGXRCSA-N 2 0 265.401 0.952 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001317471445 909248285 /nfs/dbraw/zinc/24/82/85/909248285.db2.gz IYCZKERSAVEONE-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001319198381 910035162 /nfs/dbraw/zinc/03/51/62/910035162.db2.gz VAJHJJOJUILBJC-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319268731 910064429 /nfs/dbraw/zinc/06/44/29/910064429.db2.gz FBZUQUYINBSOMI-GJZGRUSLSA-N 2 0 295.427 0.320 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001319460413 910162259 /nfs/dbraw/zinc/16/22/59/910162259.db2.gz LVBJQKRCPJSSKW-CYBMUJFWSA-N 2 0 291.399 0.128 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001320073192 910449075 /nfs/dbraw/zinc/44/90/75/910449075.db2.gz UMKTUDLKWXYFEE-CYBMUJFWSA-N 2 0 253.390 0.740 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320216436 910529416 /nfs/dbraw/zinc/52/94/16/910529416.db2.gz KKQYVDIGXSMKNO-KGLIPLIRSA-N 2 0 283.416 0.502 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320421581 910670861 /nfs/dbraw/zinc/67/08/61/910670861.db2.gz LUOBPVKEUMYCJY-RRFJBIMHSA-N 2 0 295.427 0.461 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320839368 910896629 /nfs/dbraw/zinc/89/66/29/910896629.db2.gz AXAXWPDSPDGLHR-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2nccn2C1 ZINC001321897421 911561485 /nfs/dbraw/zinc/56/14/85/911561485.db2.gz TXAGFXRWPZSTFY-STQMWFEESA-N 2 0 274.368 0.563 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001321990395 911609012 /nfs/dbraw/zinc/60/90/12/911609012.db2.gz HOKBKADXMSFGEY-AWEZNQCLSA-N 2 0 297.443 0.708 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322793903 911958601 /nfs/dbraw/zinc/95/86/01/911958601.db2.gz XUELKRGBUBSBEM-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001328219457 915035852 /nfs/dbraw/zinc/03/58/52/915035852.db2.gz FLWBAUGUURGCFA-TUAOUCFPSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC#C ZINC001328734476 915399328 /nfs/dbraw/zinc/39/93/28/915399328.db2.gz WUPAPQARVNURCG-CVEARBPZSA-N 2 0 287.407 0.640 20 30 CCEDRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001330593196 916725176 /nfs/dbraw/zinc/72/51/76/916725176.db2.gz ZLTVVULUKMASQD-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001330938453 916976932 /nfs/dbraw/zinc/97/69/32/916976932.db2.gz UVOKUTZALXTYPB-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001403860389 918068001 /nfs/dbraw/zinc/06/80/01/918068001.db2.gz BDSFDJNTLBLNAK-RYUDHWBXSA-N 2 0 291.823 0.488 20 30 CCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332528996 918255068 /nfs/dbraw/zinc/25/50/68/918255068.db2.gz LAMIGGDGARUJEO-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332528998 918255125 /nfs/dbraw/zinc/25/51/25/918255125.db2.gz LAMIGGDGARUJEO-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332565651 918278179 /nfs/dbraw/zinc/27/81/79/918278179.db2.gz GECMEDGCPFVPDD-UONOGXRCSA-N 2 0 283.416 0.005 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001333657136 919075108 /nfs/dbraw/zinc/07/51/08/919075108.db2.gz NFUDSKQVTSTLMC-SECBINFHSA-N 2 0 280.294 0.747 20 30 CCEDRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001333683306 919095472 /nfs/dbraw/zinc/09/54/72/919095472.db2.gz LQXKSROJOMTAAT-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001406249608 919137781 /nfs/dbraw/zinc/13/77/81/919137781.db2.gz ULQFBJYRPOLYNQ-NWDGAFQWSA-N 2 0 289.807 0.290 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001335443008 920196979 /nfs/dbraw/zinc/19/69/79/920196979.db2.gz FAOFHULUKSSJJN-ZFWWWQNUSA-N 2 0 292.427 0.982 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001340854383 922244632 /nfs/dbraw/zinc/24/46/32/922244632.db2.gz SENOPAXFVUJBTN-CJNGLKHVSA-N 2 0 293.411 0.379 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC001340882347 922258576 /nfs/dbraw/zinc/25/85/76/922258576.db2.gz XTKFRZZCIPELFC-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001346453540 924221120 /nfs/dbraw/zinc/22/11/20/924221120.db2.gz LCNWOBGNDVLKNF-LBPRGKRZSA-N 2 0 266.389 0.320 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001480119041 925522415 /nfs/dbraw/zinc/52/24/15/925522415.db2.gz BQORLOPJTCVQLE-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC001353614173 925885529 /nfs/dbraw/zinc/88/55/29/925885529.db2.gz XDHFOHDROBOWDA-CHWSQXEVSA-N 2 0 258.325 0.029 20 30 CCEDRP C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CC[NH+](C)CC1 ZINC000600724310 362045432 /nfs/dbraw/zinc/04/54/32/362045432.db2.gz GRHPYAGVAPULAQ-CABCVRRESA-N 2 0 294.443 0.514 20 30 CCEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600728600 362047223 /nfs/dbraw/zinc/04/72/23/362047223.db2.gz VLELTCOSIAIZDZ-UONOGXRCSA-N 2 0 283.416 0.988 20 30 CCEDRP CCNC(NCCN1CCC[N@H+](C)CC1)=[NH+]CC ZINC000066245658 348738530 /nfs/dbraw/zinc/73/85/30/348738530.db2.gz BEINXKUGEFEGHQ-UHFFFAOYSA-N 2 0 255.410 0.199 20 30 CCEDRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000573953492 359014683 /nfs/dbraw/zinc/01/46/83/359014683.db2.gz ALKOTITTYIEIEM-HNNXBMFYSA-N 2 0 282.432 0.655 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726613 359648275 /nfs/dbraw/zinc/64/82/75/359648275.db2.gz WDLKNHBZXUYWJP-RBSFLKMASA-N 2 0 280.416 0.409 20 30 CCEDRP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1CC[NH+](C)CC1 ZINC000591739755 359651332 /nfs/dbraw/zinc/65/13/32/359651332.db2.gz ZHLRUHCYXMBDLR-ZFWWWQNUSA-N 2 0 282.432 0.513 20 30 CCEDRP C[C@H](NC(=O)[C@@]1(C#N)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000592958547 359999187 /nfs/dbraw/zinc/99/91/87/359999187.db2.gz DCBKGSRZUJUJAA-SMDDNHRTSA-N 2 0 264.373 0.336 20 30 CCEDRP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426660 360301133 /nfs/dbraw/zinc/30/11/33/360301133.db2.gz QMXCDWURLSQMBU-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594427053 360301428 /nfs/dbraw/zinc/30/14/28/360301428.db2.gz SLBGKKXKKDMMLG-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000594427881 360302024 /nfs/dbraw/zinc/30/20/24/360302024.db2.gz WKDQXIGQUVMTEW-AGIUHOORSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594442782 360312066 /nfs/dbraw/zinc/31/20/66/360312066.db2.gz VGJSMNBPGLBWPO-QJPTWQEYSA-N 2 0 252.362 0.606 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595946645 360725546 /nfs/dbraw/zinc/72/55/46/360725546.db2.gz LZTAGTYOOZKDSL-QWKFWESOSA-N 2 0 250.346 0.266 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000635532076 372593936 /nfs/dbraw/zinc/59/39/36/372593936.db2.gz YXHRIHINPRRSBR-GJZGRUSLSA-N 2 0 293.411 0.616 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635532070 372594827 /nfs/dbraw/zinc/59/48/27/372594827.db2.gz YXHRIHINPRRSBR-CABCVRRESA-N 2 0 293.411 0.616 20 30 CCEDRP C=C(C)C[NH+]1CCC(NCc2cnc(N)nc2N)CC1 ZINC000638524896 375116504 /nfs/dbraw/zinc/11/65/04/375116504.db2.gz UQMPWCVGWLWODB-UHFFFAOYSA-N 2 0 276.388 0.432 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638643243 375248551 /nfs/dbraw/zinc/24/85/51/375248551.db2.gz ZMCMUZCGPVRCSE-SGMGOOAPSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C[NH3+])OC)C(C)C ZINC000290127470 388901498 /nfs/dbraw/zinc/90/14/98/388901498.db2.gz ZVNQFUMCDGLPBD-UONOGXRCSA-N 2 0 283.416 0.775 20 30 CCEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000338970034 389119243 /nfs/dbraw/zinc/11/92/43/389119243.db2.gz MKNAWYDXYZLPES-UONOGXRCSA-N 2 0 251.374 0.973 20 30 CCEDRP C[NH+](C)CCOc1ccc(CCNC(N)=[NH2+])cc1 ZINC000264323627 389321395 /nfs/dbraw/zinc/32/13/95/389321395.db2.gz YBPMKDOVXFQFMW-UHFFFAOYSA-N 2 0 250.346 0.443 20 30 CCEDRP CNC(NCc1ccc(N2CC[NH+](C)CC2)nc1)=[NH+]C ZINC000264151851 389309392 /nfs/dbraw/zinc/30/93/92/389309392.db2.gz ZIUYOGFJPFHARB-UHFFFAOYSA-N 2 0 276.388 0.128 20 30 CCEDRP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442788862 389863161 /nfs/dbraw/zinc/86/31/61/389863161.db2.gz JFCAODXAZKDIRX-HZSPNIEDSA-N 2 0 250.390 0.904 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000491405279 390113021 /nfs/dbraw/zinc/11/30/21/390113021.db2.gz HWQZRFDPOXJFMZ-OAHLLOKOSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491441114 390113462 /nfs/dbraw/zinc/11/34/62/390113462.db2.gz UEOCQNSSGYLAJM-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000584410880 390341602 /nfs/dbraw/zinc/34/16/02/390341602.db2.gz YFMSTRGOLFSLSV-KBPBESRZSA-N 2 0 296.415 0.217 20 30 CCEDRP C=CC[C@@H](CC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563003318 390491792 /nfs/dbraw/zinc/49/17/92/390491792.db2.gz QPGJFZHHPAZCKL-ZIAGYGMSSA-N 2 0 255.406 0.539 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC000662772776 414778601 /nfs/dbraw/zinc/77/86/01/414778601.db2.gz QTRLNRGXEWRXOX-UMVBOHGHSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000662771484 414779495 /nfs/dbraw/zinc/77/94/95/414779495.db2.gz XUTLPUASKPYWFB-OUCADQQQSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662691402 414741668 /nfs/dbraw/zinc/74/16/68/414741668.db2.gz HYZZGZLGZAQNMW-JSGCOSHPSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662721125 414746373 /nfs/dbraw/zinc/74/63/73/414746373.db2.gz JPJXMHHNADRBNJ-STQMWFEESA-N 2 0 267.373 0.117 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000313013183 260234273 /nfs/dbraw/zinc/23/42/73/260234273.db2.gz OLHBNPPERNSQJZ-HNNXBMFYSA-N 2 0 278.400 0.776 20 30 CCEDRP COC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](COC)C2)C1 ZINC000341890571 263363866 /nfs/dbraw/zinc/36/38/66/263363866.db2.gz ALSZREPJQQMIQO-HZPDHXFCSA-N 2 0 280.412 0.926 20 30 CCEDRP C[C@@]1(O)CCC[N@H+](CC#CC[NH+]2CCC[C@](C)(O)C2)C1 ZINC000341904084 263364742 /nfs/dbraw/zinc/36/47/42/263364742.db2.gz DCYQEISKFVUSRB-IYBDPMFKSA-N 2 0 280.412 0.683 20 30 CCEDRP CNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190528173 264393966 /nfs/dbraw/zinc/39/39/66/264393966.db2.gz BPZBXTDDUPWCGF-CQSZACIVSA-N 2 0 276.384 0.812 20 30 CCEDRP C=CCNC(NCC1([NH+](C)C)CCOCC1)=[NH+]C ZINC000262407577 330008328 /nfs/dbraw/zinc/00/83/28/330008328.db2.gz BUOMZHNRVHQFTQ-UHFFFAOYSA-N 2 0 254.378 0.448 20 30 CCEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000262431499 330010275 /nfs/dbraw/zinc/01/02/75/330010275.db2.gz FHOIMYQBZVVMTB-ZDUSSCGKSA-N 2 0 268.405 0.754 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])N1CCO[C@@H](C)C1)C1CC1 ZINC000262448374 330013731 /nfs/dbraw/zinc/01/37/31/330013731.db2.gz JGGGJEBBFYXUQO-NSHDSACASA-N 2 0 254.378 0.506 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262471192 330015653 /nfs/dbraw/zinc/01/56/53/330015653.db2.gz OGSRZZJPPRMMTA-CHWSQXEVSA-N 2 0 290.415 0.587 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000262473143 330015860 /nfs/dbraw/zinc/01/58/60/330015860.db2.gz PMMPNLASPNOGMY-ZIAGYGMSSA-N 2 0 297.447 0.048 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1C[NH3+] ZINC000424078451 330221211 /nfs/dbraw/zinc/22/12/11/330221211.db2.gz PXGDOZXMYHDZMD-GRYCIOLGSA-N 2 0 252.362 0.593 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1C[NH3+] ZINC000424078453 330221378 /nfs/dbraw/zinc/22/13/78/330221378.db2.gz PXGDOZXMYHDZMD-UTUOFQBUSA-N 2 0 252.362 0.593 20 30 CCEDRP CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424142155 330284173 /nfs/dbraw/zinc/28/41/73/330284173.db2.gz DHJKFNIPXJBMBX-LBPRGKRZSA-N 2 0 252.362 0.608 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143035 330286614 /nfs/dbraw/zinc/28/66/14/330286614.db2.gz VUKNOKNGRVHHNZ-UONOGXRCSA-N 2 0 296.415 0.481 20 30 CCEDRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424151674 330297112 /nfs/dbraw/zinc/29/71/12/330297112.db2.gz HMHZNGWJFSMEHV-NWDGAFQWSA-N 2 0 252.362 0.560 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424155217 330302033 /nfs/dbraw/zinc/30/20/33/330302033.db2.gz MNGHTOGMTXZAHW-CMPLNLGQSA-N 2 0 250.346 0.360 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424155220 330302041 /nfs/dbraw/zinc/30/20/41/330302041.db2.gz MNGHTOGMTXZAHW-ZYHUDNBSSA-N 2 0 250.346 0.360 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424162413 330307302 /nfs/dbraw/zinc/30/73/02/330307302.db2.gz CQWUTAXTNBANCN-WYUUTHIRSA-N 2 0 252.362 0.510 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000424180773 330319041 /nfs/dbraw/zinc/31/90/41/330319041.db2.gz WKDTTXMLYMZTGD-KGLIPLIRSA-N 2 0 278.400 0.856 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000490655431 332100309 /nfs/dbraw/zinc/10/03/09/332100309.db2.gz AIYJBHZENFSHHP-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000490720962 332109053 /nfs/dbraw/zinc/10/90/53/332109053.db2.gz UZDVDFZJHNHKSN-LSDHHAIUSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000490912864 332128075 /nfs/dbraw/zinc/12/80/75/332128075.db2.gz BCQVVWJKKTXEMG-ZIAGYGMSSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000491619845 332245553 /nfs/dbraw/zinc/24/55/53/332245553.db2.gz DXWSDRMHDYPTIM-CQSZACIVSA-N 2 0 280.416 0.535 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000491703729 332297549 /nfs/dbraw/zinc/29/75/49/332297549.db2.gz ZMFYIBMHHFHZLD-OAHLLOKOSA-N 2 0 294.443 0.923 20 30 CCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CCCCC1 ZINC000262790216 334571480 /nfs/dbraw/zinc/57/14/80/334571480.db2.gz NXFMWPYCAVFGHN-ZDUSSCGKSA-N 2 0 265.405 0.223 20 30 CCEDRP C=CC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000578619364 335654432 /nfs/dbraw/zinc/65/44/32/335654432.db2.gz LIQCHVNSQSYYSP-ZDUSSCGKSA-N 2 0 255.406 0.397 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000334905485 526428426 /nfs/dbraw/zinc/42/84/26/526428426.db2.gz BFLYUMHNJNVIJY-LBPRGKRZSA-N 2 0 266.389 0.640 20 30 CCEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=[NH2+])N(C)C1CC1 ZINC000305818868 649880455 /nfs/dbraw/zinc/88/04/55/649880455.db2.gz NQOBBAMWPXBHAP-ZDUSSCGKSA-N 2 0 295.431 0.338 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000876799662 613390243 /nfs/dbraw/zinc/39/02/43/613390243.db2.gz IZBPRNGLQLTCMI-JQWIXIFHSA-N 2 0 259.781 0.962 20 30 CCEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944919026 613017251 /nfs/dbraw/zinc/01/72/51/613017251.db2.gz MEDNIRPXSDMPPP-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959846658 613043566 /nfs/dbraw/zinc/04/35/66/613043566.db2.gz GHXLWDAYRYMUGQ-XUWVNRHRSA-N 2 0 289.423 0.929 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000858494043 613075475 /nfs/dbraw/zinc/07/54/75/613075475.db2.gz LSYJEEMEXHVHFF-HNNXBMFYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000820688608 613077919 /nfs/dbraw/zinc/07/79/19/613077919.db2.gz UWUNXELCGAUJLX-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000972484615 613080296 /nfs/dbraw/zinc/08/02/96/613080296.db2.gz FDQGRACAWQRHSM-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC)C2)CC1 ZINC000970792702 613129257 /nfs/dbraw/zinc/12/92/57/613129257.db2.gz SBRSQVHXPCZQNH-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)CC1 ZINC000816768123 613129640 /nfs/dbraw/zinc/12/96/40/613129640.db2.gz OBUIZRWDKBDMST-HIFRSBDPSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000928654133 613132840 /nfs/dbraw/zinc/13/28/40/613132840.db2.gz OPHHSXBMISRHJJ-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000928654552 613132928 /nfs/dbraw/zinc/13/29/28/613132928.db2.gz HFAOMTYLKCBTBG-AWEZNQCLSA-N 2 0 295.452 0.638 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000924022480 613134272 /nfs/dbraw/zinc/13/42/72/613134272.db2.gz RQWCRSFMWJDKRU-CQSZACIVSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000920404209 613134776 /nfs/dbraw/zinc/13/47/76/613134776.db2.gz LUIMWIQILWSFCK-UKRRQHHQSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000921406330 613134791 /nfs/dbraw/zinc/13/47/91/613134791.db2.gz HDGYSSOMXYZQGT-DZGCQCFKSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000969144369 613145964 /nfs/dbraw/zinc/14/59/64/613145964.db2.gz KMVXCOIAJLTIQW-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925609114 613304846 /nfs/dbraw/zinc/30/48/46/613304846.db2.gz OYONJALBFNYNPH-CQSZACIVSA-N 2 0 253.390 0.605 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872229220 613325774 /nfs/dbraw/zinc/32/57/74/613325774.db2.gz OZWQDAZWGGXKDN-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000912766420 613364002 /nfs/dbraw/zinc/36/40/02/613364002.db2.gz WVSYFEZKVOVKFG-CYBMUJFWSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000901057510 613364605 /nfs/dbraw/zinc/36/46/05/613364605.db2.gz IIVNCGFHRKTLIB-UHFFFAOYSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000901139280 613364845 /nfs/dbraw/zinc/36/48/45/613364845.db2.gz QBQPHYYQCXRZQU-OAHLLOKOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000823722000 613366580 /nfs/dbraw/zinc/36/65/80/613366580.db2.gz RVUGLQQTINRWJD-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000876725239 613387757 /nfs/dbraw/zinc/38/77/57/613387757.db2.gz PWLJMUZGBJXNJT-GFCCVEGCSA-N 2 0 289.807 0.685 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000876724180 613389930 /nfs/dbraw/zinc/38/99/30/613389930.db2.gz POCSVSZISPLBOC-LBPRGKRZSA-N 2 0 289.807 0.419 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000876781862 613390253 /nfs/dbraw/zinc/39/02/53/613390253.db2.gz KKIYFNLEVVTYNQ-RYUDHWBXSA-N 2 0 288.823 0.208 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969699107 613536046 /nfs/dbraw/zinc/53/60/46/613536046.db2.gz IHRPAHNYSCXESN-GZBFAFLISA-N 2 0 277.412 0.786 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374648 613556701 /nfs/dbraw/zinc/55/67/01/613556701.db2.gz NUPXANQEPBQJDW-CABCVRRESA-N 2 0 295.427 0.313 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413780 613586782 /nfs/dbraw/zinc/58/67/82/613586782.db2.gz HCKWFAHNALRJOX-DGAVXFQQSA-N 2 0 295.383 0.180 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958215897 613816793 /nfs/dbraw/zinc/81/67/93/613816793.db2.gz YIGNOUXVPAPSGZ-ZIAGYGMSSA-N 2 0 293.411 0.210 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486121 613851141 /nfs/dbraw/zinc/85/11/41/613851141.db2.gz NLOMPSABIANNFB-GHMZBOCLSA-N 2 0 268.361 0.057 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496714 613851930 /nfs/dbraw/zinc/85/19/30/613851930.db2.gz ZSMWAPODNLPZKL-GRYCIOLGSA-N 2 0 282.388 0.303 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000969086276 613863012 /nfs/dbraw/zinc/86/30/12/613863012.db2.gz GIUSOSORCKITSS-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP CC[NH+](CC)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852856937 614994487 /nfs/dbraw/zinc/99/44/87/614994487.db2.gz XXOAXRWFSWOLFC-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000104183195 616185750 /nfs/dbraw/zinc/18/57/50/616185750.db2.gz ZFRCJXYRAXGSQW-UHFFFAOYSA-N 2 0 281.448 0.718 20 30 CCEDRP CN(C)C(=[NH+]CC(C)(C)N1CC[NH+](C)CC1)N(C)C ZINC000848984203 616232413 /nfs/dbraw/zinc/23/24/13/616232413.db2.gz YPFAFKRLVUURAN-UHFFFAOYSA-N 2 0 269.437 0.492 20 30 CCEDRP CCOCCCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000178573184 625331673 /nfs/dbraw/zinc/33/16/73/625331673.db2.gz PWLKZUNZRVXSRV-UHFFFAOYSA-N 2 0 286.420 0.428 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139700 625341278 /nfs/dbraw/zinc/34/12/78/625341278.db2.gz LBBQZUOJOVUTGP-SUJAAXHWSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC)C2)CC1 ZINC001023127991 622919654 /nfs/dbraw/zinc/91/96/54/622919654.db2.gz LZBYYRIKTXDGBA-OKILXGFUSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001023128762 622922382 /nfs/dbraw/zinc/92/23/82/622922382.db2.gz RNRMVMJPPHUTAU-GASCZTMLSA-N 2 0 273.380 0.202 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024441267 623324946 /nfs/dbraw/zinc/32/49/46/623324946.db2.gz CHMAPWRTLCZVQX-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N(C)C2CC2)C[C@H](C)O1 ZINC000305828884 624822342 /nfs/dbraw/zinc/82/23/42/624822342.db2.gz SJGTUBPFNFSDRN-TXEJJXNPSA-N 2 0 268.405 0.895 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001027515217 625932397 /nfs/dbraw/zinc/93/23/97/625932397.db2.gz XDLYFYIXUHCDEK-AWEZNQCLSA-N 2 0 274.368 0.829 20 30 CCEDRP CC[C@](C)(O)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261859603 631659670 /nfs/dbraw/zinc/65/96/70/631659670.db2.gz ZDJSHJBLKZDULX-LNSITVRQSA-N 2 0 282.432 0.795 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989450806 633274040 /nfs/dbraw/zinc/27/40/40/633274040.db2.gz PYITVUJGAOMAMQ-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC)C[C@@H]2C)CC1 ZINC000989828787 633365062 /nfs/dbraw/zinc/36/50/62/633365062.db2.gz ITZQOMOPZCPCST-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009512137 650146506 /nfs/dbraw/zinc/14/65/06/650146506.db2.gz ASCIZBSIHIULQT-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC000998583024 638929019 /nfs/dbraw/zinc/92/90/19/638929019.db2.gz NFODUQCYUKBBAI-JXQTWKCFSA-N 2 0 281.400 0.472 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379523 638977413 /nfs/dbraw/zinc/97/74/13/638977413.db2.gz ZBOBKACZDQVXQZ-UONOGXRCSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000332759 639073814 /nfs/dbraw/zinc/07/38/14/639073814.db2.gz KEDNSRREWNQIJP-AWEZNQCLSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000919316 639195324 /nfs/dbraw/zinc/19/53/24/639195324.db2.gz LIIHUSJSJBPOBD-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003624072 639580587 /nfs/dbraw/zinc/58/05/87/639580587.db2.gz KXNBJUXHVUVNFA-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC001003843592 639633863 /nfs/dbraw/zinc/63/38/63/639633863.db2.gz BSPHWEKMEFKRKV-UHFFFAOYSA-N 2 0 260.341 0.556 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015822385 650635711 /nfs/dbraw/zinc/63/57/11/650635711.db2.gz HVHXHDZJMGSMAZ-AWEZNQCLSA-N 2 0 291.399 0.435 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001017943963 650835869 /nfs/dbraw/zinc/83/58/69/650835869.db2.gz JGHLMKTWOJGAHD-LVQVYYBASA-N 2 0 289.423 0.883 20 30 CCEDRP [NH3+][C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccccc1 ZINC000852796811 644001705 /nfs/dbraw/zinc/00/17/05/644001705.db2.gz YFVZZHQXSDBTPL-HNNXBMFYSA-N 2 0 271.364 0.806 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852862973 644030161 /nfs/dbraw/zinc/03/01/61/644030161.db2.gz NZJAHFCDEDOADU-ZDUSSCGKSA-N 2 0 261.369 0.342 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514217 646616010 /nfs/dbraw/zinc/61/60/10/646616010.db2.gz UUVGSDPIIBQEBD-XJKSGUPXSA-N 2 0 298.390 0.942 20 30 CCEDRP C[C@H]([NH3+])CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876519381 646617482 /nfs/dbraw/zinc/61/74/82/646617482.db2.gz YIPOXPIHCWEPSM-HZMBPMFUSA-N 2 0 272.352 0.599 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000876801346 646669248 /nfs/dbraw/zinc/66/92/48/646669248.db2.gz BKWZGYBPHNMALU-RYUDHWBXSA-N 2 0 262.357 0.090 20 30 CCEDRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876860996 646683939 /nfs/dbraw/zinc/68/39/39/646683939.db2.gz OVYYLBYSPCXXHC-PKFCDNJMSA-N 2 0 272.352 0.597 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)NC1CC1 ZINC000303409404 649819142 /nfs/dbraw/zinc/81/91/42/649819142.db2.gz VEKJJTLSXVRUEY-CYBMUJFWSA-N 2 0 268.405 0.671 20 30 CCEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])N2CCOCC2)C[C@@H](C)O1 ZINC000303792010 649825348 /nfs/dbraw/zinc/82/53/48/649825348.db2.gz YCBBRHMTOHVRQR-CHWSQXEVSA-N 2 0 284.404 0.133 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCCCC2)CC1 ZINC000303882516 649826144 /nfs/dbraw/zinc/82/61/44/649826144.db2.gz IDKOKWMOGWSALF-CQSZACIVSA-N 2 0 281.448 0.813 20 30 CCEDRP CC[C@@H](C)NC(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303892398 649826399 /nfs/dbraw/zinc/82/63/99/649826399.db2.gz REBOARGNQJKSRQ-OLZOCXBDSA-N 2 0 297.447 0.680 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303908636 649826770 /nfs/dbraw/zinc/82/67/70/649826770.db2.gz XSABPTYWEWQLHC-CYBMUJFWSA-N 2 0 269.437 0.669 20 30 CCEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH+]=C(N(C)C)N(C)C ZINC000303975202 649827616 /nfs/dbraw/zinc/82/76/16/649827616.db2.gz IUPIKSVVRRRFDW-CYBMUJFWSA-N 2 0 297.447 0.408 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000303985529 649828045 /nfs/dbraw/zinc/82/80/45/649828045.db2.gz SYCBGRCYGFJNNS-CYBMUJFWSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[C@H](C(=O)NCC[N@H+](C)CC#CCOC)[NH+](C)C ZINC001266288589 790421073 /nfs/dbraw/zinc/42/10/73/790421073.db2.gz JVVWGXMKWXGHQD-CYBMUJFWSA-N 2 0 269.389 0.024 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266349494 790563210 /nfs/dbraw/zinc/56/32/10/790563210.db2.gz HSJRKMKZFHSPII-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001266349493 790563510 /nfs/dbraw/zinc/56/35/10/790563510.db2.gz HSJRKMKZFHSPII-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266815475 791259518 /nfs/dbraw/zinc/25/95/18/791259518.db2.gz UWWIZEDJCAYJSD-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492963 790894248 /nfs/dbraw/zinc/89/42/48/790894248.db2.gz GKIWSGHRQWLUHO-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001266725596 791191028 /nfs/dbraw/zinc/19/10/28/791191028.db2.gz MVOMVGVGOIUUEW-OKILXGFUSA-N 2 0 265.401 0.978 20 30 CCEDRP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266992443 791427227 /nfs/dbraw/zinc/42/72/27/791427227.db2.gz BLRBNSFKUXGYCK-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)Cn1ccnc1 ZINC001266995551 791429206 /nfs/dbraw/zinc/42/92/06/791429206.db2.gz IPALQJFKOYFMGS-JTQLQIEISA-N 2 0 256.737 0.730 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267205473 791672362 /nfs/dbraw/zinc/67/23/62/791672362.db2.gz LPSSVFRDSJRYLM-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267215996 791685903 /nfs/dbraw/zinc/68/59/03/791685903.db2.gz KBUCNIXRXOVSMP-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001038141419 791704209 /nfs/dbraw/zinc/70/42/09/791704209.db2.gz KZNRQNVWLTYIHW-STQMWFEESA-N 2 0 267.373 0.084 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267242080 793230930 /nfs/dbraw/zinc/23/09/30/793230930.db2.gz VRRMNIMTGJLYRK-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122277534 799185460 /nfs/dbraw/zinc/18/54/60/799185460.db2.gz MDHICXBSZLPAQV-AWEZNQCLSA-N 2 0 295.431 0.199 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)Cc1ncc[nH]1)C1CCCC1 ZINC001278282079 806805729 /nfs/dbraw/zinc/80/57/29/806805729.db2.gz MEBFICZCDYGPHX-CYBMUJFWSA-N 2 0 274.368 0.850 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150587134 800349604 /nfs/dbraw/zinc/34/96/04/800349604.db2.gz FCWOOSZAEQSBBP-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP Cc1cc(C[NH3+])nn1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156038945 801098736 /nfs/dbraw/zinc/09/87/36/801098736.db2.gz ZVSIKFMIFOWEDU-UHFFFAOYSA-N 2 0 282.351 0.942 20 30 CCEDRP C=CCCNC(=S)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239362489 806892168 /nfs/dbraw/zinc/89/21/68/806892168.db2.gz KFHWXKUZTPBGCF-LBPRGKRZSA-N 2 0 282.457 0.901 20 30 CCEDRP CCc1nc(C#N)c(C#N)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157101764 801301568 /nfs/dbraw/zinc/30/15/68/801301568.db2.gz MSQTXAFZCWOCRS-UHFFFAOYSA-N 2 0 286.343 0.458 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157715856 801461299 /nfs/dbraw/zinc/46/12/99/801461299.db2.gz JSWFZLRHYNGWPR-KGLIPLIRSA-N 2 0 283.416 0.897 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001157887140 801510655 /nfs/dbraw/zinc/51/06/55/801510655.db2.gz RGYBXGUTUWNFFC-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP Cc1nc(CC[NH3+])nn1-c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001158126695 801574354 /nfs/dbraw/zinc/57/43/54/801574354.db2.gz YECOONPIVQVREL-UHFFFAOYSA-N 2 0 297.366 0.379 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159916263 801889347 /nfs/dbraw/zinc/88/93/47/801889347.db2.gz QENYWWRTSGHMMU-CQSZACIVSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160267583 801924140 /nfs/dbraw/zinc/92/41/40/801924140.db2.gz OGKPODHVGDKFMB-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274496 801925834 /nfs/dbraw/zinc/92/58/34/801925834.db2.gz UMRJYOUCQZJPLX-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C#N)C1 ZINC001160640742 801985985 /nfs/dbraw/zinc/98/59/85/801985985.db2.gz NTVWYQAQYTUZPV-OLZOCXBDSA-N 2 0 266.389 0.808 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160670280 801994998 /nfs/dbraw/zinc/99/49/98/801994998.db2.gz VVQMMJKANDLIIB-OAHLLOKOSA-N 2 0 286.379 0.866 20 30 CCEDRP C#CC1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001160912617 802046235 /nfs/dbraw/zinc/04/62/35/802046235.db2.gz KRHUTFZXCYNOGC-AWEZNQCLSA-N 2 0 265.401 0.917 20 30 CCEDRP N#Cc1c(NC/C=C/C[NH3+])ncc2c1CCC[NH2+]C2 ZINC001160977964 802056015 /nfs/dbraw/zinc/05/60/15/802056015.db2.gz SSXLIGKNKVYNSP-OWOJBTEDSA-N 2 0 257.341 0.916 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161501460 802167034 /nfs/dbraw/zinc/16/70/34/802167034.db2.gz YQEPOZRUNUYEAN-QWHCGFSZSA-N 2 0 281.400 0.636 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872278 802432020 /nfs/dbraw/zinc/43/20/20/802432020.db2.gz MQGOPYDOGBAPPN-BBBYJDLNSA-N 2 0 293.411 0.522 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163819865 802618960 /nfs/dbraw/zinc/61/89/60/802618960.db2.gz BDRCUSBOFSGKMQ-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165379263 802830008 /nfs/dbraw/zinc/83/00/08/802830008.db2.gz WACNSCMRTNFVEZ-ZDUSSCGKSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166864035 802972146 /nfs/dbraw/zinc/97/21/46/802972146.db2.gz WRSSSAUTITUDFT-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616041 803036977 /nfs/dbraw/zinc/03/69/77/803036977.db2.gz TXCZCDCOZHFTQV-KGLIPLIRSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209643716 803620339 /nfs/dbraw/zinc/62/03/39/803620339.db2.gz VUILSQIYDNVWST-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213377064 803691969 /nfs/dbraw/zinc/69/19/69/803691969.db2.gz WPYJUIJVAJIRAD-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP C[N+](C)(C)C[C@@H](CC#N)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217865422 803920987 /nfs/dbraw/zinc/92/09/87/803920987.db2.gz JRKZVJGEKXNMBO-XGUBFFRZSA-N 2 0 282.408 0.758 20 30 CCEDRP Cc1noc2nc(O[C@@H]3C[NH2+]C[C@@H]3C#N)c3c(c12)CC[NH2+]C3 ZINC001218200826 803935458 /nfs/dbraw/zinc/93/54/58/803935458.db2.gz NPVKBAHSDCYFFP-JOYOIKCWSA-N 2 0 299.334 0.667 20 30 CCEDRP C#Cc1cc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)ccn1 ZINC001218520218 803982581 /nfs/dbraw/zinc/98/25/81/803982581.db2.gz MFPIPCYIAYAIKN-AWEZNQCLSA-N 2 0 284.363 0.298 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1oc(C)nc1C#N ZINC001218650014 804061285 /nfs/dbraw/zinc/06/12/85/804061285.db2.gz QRLIFGHRXBRQNW-VIFPVBQESA-N 2 0 265.317 0.510 20 30 CCEDRP C#Cc1cnc(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)c(C#C)n1 ZINC001218657203 804068749 /nfs/dbraw/zinc/06/87/49/804068749.db2.gz DTCPZBYYXYILBI-ZDUSSCGKSA-N 2 0 285.351 0.095 20 30 CCEDRP N=C(c1ccccc1N)N(O)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218968318 804169341 /nfs/dbraw/zinc/16/93/41/804169341.db2.gz JZGDHKYLZIKKML-JTQLQIEISA-N 2 0 293.371 0.658 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218980397 804173759 /nfs/dbraw/zinc/17/37/59/804173759.db2.gz DBRFYBAEZFSOIB-JTQLQIEISA-N 2 0 293.396 0.558 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001219649432 804391098 /nfs/dbraw/zinc/39/10/98/804391098.db2.gz IUPSEOOFYOJFLD-JKOKRWQUSA-N 2 0 251.374 0.656 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845788 804432039 /nfs/dbraw/zinc/43/20/39/804432039.db2.gz SLVHGIPFBHGEGU-RDBSUJKOSA-N 2 0 283.416 0.310 20 30 CCEDRP N#C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220094811 804497779 /nfs/dbraw/zinc/49/77/79/804497779.db2.gz JHFGNZKNMNEGNK-SRVKXCTJSA-N 2 0 252.362 0.641 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001220413455 804598512 /nfs/dbraw/zinc/59/85/12/804598512.db2.gz JHPCYTXCQXYHJL-NSHDSACASA-N 2 0 285.413 0.395 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220701259 804651827 /nfs/dbraw/zinc/65/18/27/804651827.db2.gz YVOBNQBBKJKQKY-NWDGAFQWSA-N 2 0 252.362 0.368 20 30 CCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220857512 804683122 /nfs/dbraw/zinc/68/31/22/804683122.db2.gz GJKPOSUQJONGPN-KBPBESRZSA-N 2 0 288.395 0.918 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220868900 804683578 /nfs/dbraw/zinc/68/35/78/804683578.db2.gz YPVNGSCDJMUJSF-KBPBESRZSA-N 3 0 282.432 0.470 20 30 CCEDRP CC[C@H](CC#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220898439 804695910 /nfs/dbraw/zinc/69/59/10/804695910.db2.gz JXXLECVJNDLTLY-NEPJUHHUSA-N 2 0 254.378 0.854 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937446 804703381 /nfs/dbraw/zinc/70/33/81/804703381.db2.gz RNDCSZNUOXHZFW-KBPBESRZSA-N 2 0 283.416 0.945 20 30 CCEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001272171584 815036754 /nfs/dbraw/zinc/03/67/54/815036754.db2.gz AFYQPJSRCGCQLC-OAHLLOKOSA-N 2 0 297.443 0.921 20 30 CCEDRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437541 804817505 /nfs/dbraw/zinc/81/75/05/804817505.db2.gz WEVGZYHHGAEYCL-GJZGRUSLSA-N 2 0 294.443 0.971 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245984267 807107058 /nfs/dbraw/zinc/10/70/58/807107058.db2.gz IVVTZSCPXAZBDC-KBPBESRZSA-N 2 0 267.417 0.777 20 30 CCEDRP N#Cc1csc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246504733 807267371 /nfs/dbraw/zinc/26/73/71/807267371.db2.gz RQGAGIBQEWBMHL-LLVKDONJSA-N 2 0 262.382 0.803 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278499710 807507092 /nfs/dbraw/zinc/50/70/92/807507092.db2.gz WWHGOKDWESXINH-NVXWUHKLSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001251847183 807717484 /nfs/dbraw/zinc/71/74/84/807717484.db2.gz AKYAILHZQYLWHO-CQSZACIVSA-N 2 0 254.374 0.271 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+](CCC)CCC[NH+](C)C ZINC001251857596 807725032 /nfs/dbraw/zinc/72/50/32/807725032.db2.gz GLNGGVBDOAIEKB-CQSZACIVSA-N 2 0 256.390 0.661 20 30 CCEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038117678 815154872 /nfs/dbraw/zinc/15/48/72/815154872.db2.gz PPSSPRGIPHNFQP-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001278689450 807991042 /nfs/dbraw/zinc/99/10/42/807991042.db2.gz BJRSQEWICOYGAH-CYBMUJFWSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001278777106 808214362 /nfs/dbraw/zinc/21/43/62/808214362.db2.gz SUPCPPOWSWIFPJ-GOEBONIOSA-N 2 0 295.427 0.598 20 30 CCEDRP N#Cc1ncn(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC001261177556 808920504 /nfs/dbraw/zinc/92/05/04/808920504.db2.gz WRURSSNPTIVBGO-NWDGAFQWSA-N 2 0 260.345 0.366 20 30 CCEDRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC001261502146 809000233 /nfs/dbraw/zinc/00/02/33/809000233.db2.gz BABGFYQZZYQNEH-YNEHKIRRSA-N 2 0 266.389 0.997 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001261552138 809019290 /nfs/dbraw/zinc/01/92/90/809019290.db2.gz HMTJHHMRBQRZCU-KGLIPLIRSA-N 2 0 295.431 0.150 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467541 815301111 /nfs/dbraw/zinc/30/11/11/815301111.db2.gz MMHAYGBOVRGPJT-UONOGXRCSA-N 2 0 273.380 0.248 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001264161114 809635174 /nfs/dbraw/zinc/63/51/74/809635174.db2.gz BQUCWXXXEZDYTJ-AGIUHOORSA-N 2 0 251.374 0.539 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265224591 809728644 /nfs/dbraw/zinc/72/86/44/809728644.db2.gz GMTJDISLJBBLRC-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076568963 815312593 /nfs/dbraw/zinc/31/25/93/815312593.db2.gz FEKWTBLFBMUTAV-BFHYXJOUSA-N 2 0 263.385 0.657 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265590985 809811187 /nfs/dbraw/zinc/81/11/87/809811187.db2.gz LZACNOWZSUMXKH-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001265691780 809826388 /nfs/dbraw/zinc/82/63/88/809826388.db2.gz RNQZRMNLCKYSKX-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001265916220 809893445 /nfs/dbraw/zinc/89/34/45/809893445.db2.gz JTCIYQQUBWILAV-AWEZNQCLSA-N 2 0 275.396 0.829 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266189390 809958092 /nfs/dbraw/zinc/95/80/92/809958092.db2.gz QSAZUXFIHAFOQL-KGLIPLIRSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001279114529 809969574 /nfs/dbraw/zinc/96/95/74/809969574.db2.gz SARSUFQNHORKHS-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001267275578 811081415 /nfs/dbraw/zinc/08/14/15/811081415.db2.gz XYGNICMUZGUKBN-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001267283010 811092574 /nfs/dbraw/zinc/09/25/74/811092574.db2.gz ZMECUHWMCRIBIU-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267766239 811763535 /nfs/dbraw/zinc/76/35/35/811763535.db2.gz GGAWZVKYMLWUGQ-CHWSQXEVSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(C)C ZINC001038366765 811791858 /nfs/dbraw/zinc/79/18/58/811791858.db2.gz JCGPLSHBBUWJKY-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267997970 811933721 /nfs/dbraw/zinc/93/37/21/811933721.db2.gz HYCIGJMABMCBRT-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027893500 812126464 /nfs/dbraw/zinc/12/64/64/812126464.db2.gz XYVLOVGWXVLQSR-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027982409 812194118 /nfs/dbraw/zinc/19/41/18/812194118.db2.gz VQMWNKBIGLYSIC-ZIAGYGMSSA-N 2 0 286.379 0.659 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268811133 813096019 /nfs/dbraw/zinc/09/60/19/813096019.db2.gz MKSKWABUMSGQPX-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001269135313 813233303 /nfs/dbraw/zinc/23/33/03/813233303.db2.gz KHWRXXPXTLZAHH-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C1CC1 ZINC001269140999 813237347 /nfs/dbraw/zinc/23/73/47/813237347.db2.gz VNQDDXVHMNQRBG-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1CC ZINC001269176297 813250527 /nfs/dbraw/zinc/25/05/27/813250527.db2.gz XBXUUUWCRJYHGS-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001270259757 813700487 /nfs/dbraw/zinc/70/04/87/813700487.db2.gz UTTSYUZIOIMMPJ-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001270303808 813714578 /nfs/dbraw/zinc/71/45/78/813714578.db2.gz JUTNQBDUYXUOBX-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001087577854 814169794 /nfs/dbraw/zinc/16/97/94/814169794.db2.gz NCGUURDVBSZTTE-APIJFGDWSA-N 2 0 277.412 0.929 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001271451224 814444666 /nfs/dbraw/zinc/44/46/66/814444666.db2.gz YKGMSMFPNFUVFT-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001271751207 814565728 /nfs/dbraw/zinc/56/57/28/814565728.db2.gz MJZIRGTXPJVWRE-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001271930668 814633185 /nfs/dbraw/zinc/63/31/85/814633185.db2.gz WEKUXHXPSLLVQN-LSDHHAIUSA-N 2 0 297.443 0.871 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001271953374 814648574 /nfs/dbraw/zinc/64/85/74/814648574.db2.gz CMEQUHAUAWPWLA-OKILXGFUSA-N 2 0 263.385 0.943 20 30 CCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001271987157 814664851 /nfs/dbraw/zinc/66/48/51/814664851.db2.gz DPKAMWSPABMUAL-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001272461160 816448098 /nfs/dbraw/zinc/44/80/98/816448098.db2.gz LZNZPADTSSLYSJ-LSDHHAIUSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127317329 816725437 /nfs/dbraw/zinc/72/54/37/816725437.db2.gz OQKASXQLOOEWFE-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C=C(C)CCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385493 817021403 /nfs/dbraw/zinc/02/14/03/817021403.db2.gz GEDNZMZRBDURLM-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031579191 817158455 /nfs/dbraw/zinc/15/84/55/817158455.db2.gz DBPBJHQVKVATIB-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCF)C2)CC1 ZINC001032207648 817703927 /nfs/dbraw/zinc/70/39/27/817703927.db2.gz WPFFCEMEWXSWST-UHFFFAOYSA-N 2 0 295.402 0.739 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598849 817790458 /nfs/dbraw/zinc/79/04/58/817790458.db2.gz VTEHILAQNMNPSD-KBPBESRZSA-N 2 0 293.411 0.162 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019055 818433345 /nfs/dbraw/zinc/43/33/45/818433345.db2.gz RMWSBPLJSWDLMT-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001033151105 818575777 /nfs/dbraw/zinc/57/57/77/818575777.db2.gz IFFNFSYJXDNBQI-KBPBESRZSA-N 2 0 286.379 0.926 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533415 818611486 /nfs/dbraw/zinc/61/14/86/818611486.db2.gz LYKRJHRAJQAQKZ-GFCCVEGCSA-N 2 0 257.353 0.395 20 30 CCEDRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC#CCOC ZINC001128533556 818611514 /nfs/dbraw/zinc/61/15/14/818611514.db2.gz OBOLYDRTZYYHOC-ZDUSSCGKSA-N 2 0 287.379 0.022 20 30 CCEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033361136 818741508 /nfs/dbraw/zinc/74/15/08/818741508.db2.gz LZDCAFSZVSJNPR-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034207686 819124813 /nfs/dbraw/zinc/12/48/13/819124813.db2.gz NOWQYNCKQMFXJP-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP CNC(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000702603347 819154254 /nfs/dbraw/zinc/15/42/54/819154254.db2.gz RUURDHGGIKTZMR-OAHLLOKOSA-N 2 0 276.384 0.418 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526364 819227193 /nfs/dbraw/zinc/22/71/93/819227193.db2.gz XMMWGDNZAMLSFA-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035851688 819631941 /nfs/dbraw/zinc/63/19/41/819631941.db2.gz IYOKDPMXZJSSMF-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132696 820905753 /nfs/dbraw/zinc/90/57/53/820905753.db2.gz NRBCTQXSEIKUNI-RRFJBIMHSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086465800 822268731 /nfs/dbraw/zinc/26/87/31/822268731.db2.gz VPUMCVDZWARCRK-MQMHXKEQSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394862 836002956 /nfs/dbraw/zinc/00/29/56/836002956.db2.gz LJYFRPRJCYJFII-ZBFHGGJFSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)CC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545297 837155418 /nfs/dbraw/zinc/15/54/18/837155418.db2.gz IBCCNKDYIIFBCF-UHFFFAOYSA-N 2 0 283.416 0.675 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790051 838219019 /nfs/dbraw/zinc/21/90/19/838219019.db2.gz DXIBQAVGQMJHOV-HNNXBMFYSA-N 2 0 293.411 0.216 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001132738038 838480976 /nfs/dbraw/zinc/48/09/76/838480976.db2.gz UHQDTNFRAJROGE-OAHLLOKOSA-N 2 0 295.427 0.464 20 30 CCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC#CCOC)C1 ZINC001132738037 838480958 /nfs/dbraw/zinc/48/09/58/838480958.db2.gz UHQDTNFRAJROGE-HNNXBMFYSA-N 2 0 295.427 0.464 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132859296 838505534 /nfs/dbraw/zinc/50/55/34/838505534.db2.gz ZAWQXZAQDOIVOZ-LBPRGKRZSA-N 2 0 289.807 0.554 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122218 844654290 /nfs/dbraw/zinc/65/42/90/844654290.db2.gz QTEMQFNJACQUPX-CYBMUJFWSA-N 2 0 261.369 0.296 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103262 839161817 /nfs/dbraw/zinc/16/18/17/839161817.db2.gz ZEBZWAWWTRMHFD-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185491773 844424214 /nfs/dbraw/zinc/42/42/14/844424214.db2.gz JMQDEQLWIKCYGG-GJZGRUSLSA-N 2 0 295.427 0.272 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688642 839360247 /nfs/dbraw/zinc/36/02/47/839360247.db2.gz ZAQRWNDKOUARMY-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP N#Cc1c(Cl)nc(Cl)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170899139 839544518 /nfs/dbraw/zinc/54/45/18/839544518.db2.gz SBJFZMNEBNHHTH-ZCFIWIBFSA-N 2 0 275.143 0.513 20 30 CCEDRP CCc1nc(C#N)c(N[C@H]([NH3+])CCC[NH3+])nc1Cl ZINC001170899530 839546845 /nfs/dbraw/zinc/54/68/45/839546845.db2.gz VMUCEFQSOGGLLQ-VIFPVBQESA-N 2 0 268.752 1.000 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187276517 844685570 /nfs/dbraw/zinc/68/55/70/844685570.db2.gz MMEHJHCLTFCBMJ-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001091201517 840131057 /nfs/dbraw/zinc/13/10/57/840131057.db2.gz WHXWAHACLHATDR-NRXISQOPSA-N 2 0 295.427 0.766 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594783 840332706 /nfs/dbraw/zinc/33/27/06/840332706.db2.gz UTCVHGXPRKQCBJ-STQMWFEESA-N 2 0 253.390 0.833 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)C1 ZINC001147835135 840695507 /nfs/dbraw/zinc/69/55/07/840695507.db2.gz CQPZDRZQDPNJIZ-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504587 841029318 /nfs/dbraw/zinc/02/93/18/841029318.db2.gz SIOFUPSYDNKXMB-MCIONIFRSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110475 842328523 /nfs/dbraw/zinc/32/85/23/842328523.db2.gz SFQWEPGFZWNSHY-UHFFFAOYSA-N 2 0 269.389 0.381 20 30 CCEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176158525 842336138 /nfs/dbraw/zinc/33/61/38/842336138.db2.gz ZOVHLKYRMXFSLN-HNNXBMFYSA-N 2 0 297.443 0.853 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176152714 842336808 /nfs/dbraw/zinc/33/68/08/842336808.db2.gz HIWZTVCEWGIABR-CQSZACIVSA-N 2 0 283.416 0.627 20 30 CCEDRP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150626201 842411919 /nfs/dbraw/zinc/41/19/19/842411919.db2.gz TYRKRJDQNXXINX-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176880168 842439279 /nfs/dbraw/zinc/43/92/79/842439279.db2.gz RVOORIBDDAHOET-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716536 842592199 /nfs/dbraw/zinc/59/21/99/842592199.db2.gz SFXVSLPJUXKAQE-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901176 845524680 /nfs/dbraw/zinc/52/46/80/845524680.db2.gz VOUTZQQVCGGTCQ-ZIAGYGMSSA-N 2 0 265.401 0.883 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169696 845796251 /nfs/dbraw/zinc/79/62/51/845796251.db2.gz COMUBWATZFAATJ-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194038362 846202642 /nfs/dbraw/zinc/20/26/42/846202642.db2.gz KGALJEMXLNJTBE-HNNXBMFYSA-N 2 0 293.411 0.265 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)CCC[NH+]1CCCC1 ZINC001273764201 847078533 /nfs/dbraw/zinc/07/85/33/847078533.db2.gz AOZFRFLVZBZMCP-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788606 847432816 /nfs/dbraw/zinc/43/28/16/847432816.db2.gz TULVGKWGCRUIMS-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200122918 847554365 /nfs/dbraw/zinc/55/43/65/847554365.db2.gz JVBHTPGCSVSISF-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882496 847727258 /nfs/dbraw/zinc/72/72/58/847727258.db2.gz ZPAZQUCLHDFHPM-GOEBONIOSA-N 2 0 295.427 0.552 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059931 847851650 /nfs/dbraw/zinc/85/16/50/847851650.db2.gz SWIQWXJCDVTNQR-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=C[C@](C)(O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252556800 848004087 /nfs/dbraw/zinc/00/40/87/848004087.db2.gz FDONYRJMHHMYMX-AWEZNQCLSA-N 2 0 255.406 0.493 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114411572 848052081 /nfs/dbraw/zinc/05/20/81/848052081.db2.gz HACZFXLSTHGHGH-NHAGDIPZSA-N 2 0 263.385 0.703 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114426475 848056652 /nfs/dbraw/zinc/05/66/52/848056652.db2.gz NHTCXOCCZDBXOB-NYTXWWLZSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001274398221 848468793 /nfs/dbraw/zinc/46/87/93/848468793.db2.gz GHZBAFMCCADNPJ-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506480 849148626 /nfs/dbraw/zinc/14/86/26/849148626.db2.gz YEXCUZAFQNZHAN-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750195 849386342 /nfs/dbraw/zinc/38/63/42/849386342.db2.gz CMKRXETWAAKIIY-FOLVSLTJSA-N 2 0 295.427 0.577 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041296578 850424563 /nfs/dbraw/zinc/42/45/63/850424563.db2.gz JPXXAZDPTKTDMN-BFYDXBDKSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001041402171 850442179 /nfs/dbraw/zinc/44/21/79/850442179.db2.gz HPYMBIUYUJFEDO-GDBMZVCRSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041831675 850508626 /nfs/dbraw/zinc/50/86/26/850508626.db2.gz PDWVZCPMPKETKL-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045557177 851279208 /nfs/dbraw/zinc/27/92/08/851279208.db2.gz XGMMPSLQZSYZOS-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329263 851466048 /nfs/dbraw/zinc/46/60/48/851466048.db2.gz NJNDMWDAIWAFNJ-FMKPAKJESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@H]2C1 ZINC001049087489 852161050 /nfs/dbraw/zinc/16/10/50/852161050.db2.gz RFDJZJRWCQDCMJ-SOUVJXGZSA-N 2 0 286.379 0.858 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001072983505 854510037 /nfs/dbraw/zinc/51/00/37/854510037.db2.gz YNRDCFGZWWOCDZ-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001098393804 854861170 /nfs/dbraw/zinc/86/11/70/854861170.db2.gz DDHQVGRSSXDZHY-TUVASFSCSA-N 2 0 275.396 0.683 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878968 855015948 /nfs/dbraw/zinc/01/59/48/855015948.db2.gz CEBKDRKXSHFHOG-CABCVRRESA-N 2 0 295.427 0.598 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973809 855057737 /nfs/dbraw/zinc/05/77/37/855057737.db2.gz JNEUUCNYRSICIN-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC001100016995 855073280 /nfs/dbraw/zinc/07/32/80/855073280.db2.gz CMPFDFLKSGKYQE-KBPBESRZSA-N 2 0 292.383 0.470 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407613 855161886 /nfs/dbraw/zinc/16/18/86/855161886.db2.gz CFJYUQRYTCCCNH-PESDSKBTSA-N 2 0 277.412 0.834 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100445993 855169513 /nfs/dbraw/zinc/16/95/13/855169513.db2.gz JMSLOEMXBYKWPV-YMAMQOFZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101026585 855255317 /nfs/dbraw/zinc/25/53/17/855255317.db2.gz PGTYVWKEXFNUGH-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2cncn2C)C1 ZINC001103643848 855526053 /nfs/dbraw/zinc/52/60/53/855526053.db2.gz SWGZUGGINRXVMF-ZIAGYGMSSA-N 2 0 288.395 0.670 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC001118384019 856285706 /nfs/dbraw/zinc/28/57/06/856285706.db2.gz OIDGYRJFKMRAMH-GFCCVEGCSA-N 2 0 250.346 0.434 20 30 CCEDRP C[C@H](CC[NH2+]C[C@H](O)CN(C)CCC#N)[NH+](C)C ZINC001120488870 857090072 /nfs/dbraw/zinc/09/00/72/857090072.db2.gz KZHCBNILNMJZKC-OLZOCXBDSA-N 2 0 256.394 0.123 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211072976 891579753 /nfs/dbraw/zinc/57/97/53/891579753.db2.gz XWJSVQBZLDUZAV-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001283583237 891908194 /nfs/dbraw/zinc/90/81/94/891908194.db2.gz SNKQVAAAIXFAEH-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001326134162 913764115 /nfs/dbraw/zinc/76/41/15/913764115.db2.gz BJFGPLKOAUJADC-LSDHHAIUSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001284558169 893618770 /nfs/dbraw/zinc/61/87/70/893618770.db2.gz JUBSDUXREZCWIT-CQSZACIVSA-N 2 0 265.401 0.740 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001482445478 893995181 /nfs/dbraw/zinc/99/51/81/893995181.db2.gz BZQFXFSAZUIVQM-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001483265284 895398672 /nfs/dbraw/zinc/39/86/72/895398672.db2.gz GTGTYHVAOWYFAV-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001483924508 896118497 /nfs/dbraw/zinc/11/84/97/896118497.db2.gz JBZZSCTZQDPIPM-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001032400596 897449065 /nfs/dbraw/zinc/44/90/65/897449065.db2.gz OGAFAAMYWTUINS-KKUMJFAQSA-N 2 0 275.396 0.778 20 30 CCEDRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001326828079 914215286 /nfs/dbraw/zinc/21/52/86/914215286.db2.gz HWUXPRBZVUYUIK-UTUOFQBUSA-N 2 0 252.362 0.736 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174451 898283853 /nfs/dbraw/zinc/28/38/53/898283853.db2.gz LUCPXCIYGUMVNH-BFHYXJOUSA-N 2 0 281.400 0.066 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486126885 898686356 /nfs/dbraw/zinc/68/63/56/898686356.db2.gz DWWJZXDIMSBAOT-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001486293101 898762117 /nfs/dbraw/zinc/76/21/17/898762117.db2.gz SLEXEFINDKCDNV-CQSZACIVSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486316548 898776037 /nfs/dbraw/zinc/77/60/37/898776037.db2.gz DCXWTZYJDIAADI-RYUDHWBXSA-N 2 0 289.807 0.100 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390684 900011535 /nfs/dbraw/zinc/01/15/35/900011535.db2.gz SYRVHAOTZNVGBQ-GJZGRUSLSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001491512708 903632291 /nfs/dbraw/zinc/63/22/91/903632291.db2.gz HIZKRFLEBNQPSY-ZDUSSCGKSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001331455174 903987907 /nfs/dbraw/zinc/98/79/07/903987907.db2.gz LDLXYIQNTFGLJW-ZDUSSCGKSA-N 2 0 293.415 0.681 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001280632173 904130995 /nfs/dbraw/zinc/13/09/95/904130995.db2.gz WGIAHRULPWFRJC-KKUMJFAQSA-N 2 0 295.427 0.720 20 30 CCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001282493159 904491674 /nfs/dbraw/zinc/49/16/74/904491674.db2.gz AUIUEDWISMSQLZ-GJZGRUSLSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001282914767 904599369 /nfs/dbraw/zinc/59/93/69/904599369.db2.gz LKLZAEPBFIFQPQ-UONOGXRCSA-N 2 0 293.411 0.167 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001327926825 914869431 /nfs/dbraw/zinc/86/94/31/914869431.db2.gz UIIUAGVRSAMLRZ-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001284876246 905452128 /nfs/dbraw/zinc/45/21/28/905452128.db2.gz QXGOBGOPYNQFNZ-AWEZNQCLSA-N 2 0 281.400 0.026 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@H]21 ZINC001335790073 907071560 /nfs/dbraw/zinc/07/15/60/907071560.db2.gz ZXRFVCSDTRLXRT-JHJVBQTASA-N 2 0 264.373 0.560 20 30 CCEDRP C=CCC[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491642055 907477238 /nfs/dbraw/zinc/47/72/38/907477238.db2.gz XUQMKNCJIDZGAT-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492055991 907685413 /nfs/dbraw/zinc/68/54/13/907685413.db2.gz LSTMAHCJMPMJOT-CYBMUJFWSA-N 2 0 297.362 0.999 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001317031882 908931429 /nfs/dbraw/zinc/93/14/29/908931429.db2.gz ZSOGCXBFPSULJZ-STQMWFEESA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317058469 908947307 /nfs/dbraw/zinc/94/73/07/908947307.db2.gz ZOYFQKNRMCOKHU-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317459554 909239907 /nfs/dbraw/zinc/23/99/07/909239907.db2.gz LKDAZLKBBPLMGV-CYBMUJFWSA-N 2 0 253.390 0.644 20 30 CCEDRP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587597 909387188 /nfs/dbraw/zinc/38/71/88/909387188.db2.gz OZCUBJPZAAHIJH-CQSZACIVSA-N 2 0 265.401 0.952 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317620758 909411815 /nfs/dbraw/zinc/41/18/15/909411815.db2.gz VXSAAZJDZNPECA-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001338610860 921525826 /nfs/dbraw/zinc/52/58/26/921525826.db2.gz ZQMJMJASUXYBAP-FRRDWIJNSA-N 2 0 264.373 0.134 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001323014917 912072216 /nfs/dbraw/zinc/07/22/16/912072216.db2.gz LLUHUILEQFRLNQ-CQSZACIVSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001328352980 915132534 /nfs/dbraw/zinc/13/25/34/915132534.db2.gz XMXFDLQYBBFNPD-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329051789 915627009 /nfs/dbraw/zinc/62/70/09/915627009.db2.gz CQXGAWWFMTUGNZ-STQMWFEESA-N 2 0 265.401 0.977 20 30 CCEDRP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001329398247 915876392 /nfs/dbraw/zinc/87/63/92/915876392.db2.gz SKGSHLZCKFAMOW-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330085574 916405563 /nfs/dbraw/zinc/40/55/63/916405563.db2.gz MFABGOJLKIBMCW-ZDUSSCGKSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001330686996 916792858 /nfs/dbraw/zinc/79/28/58/916792858.db2.gz TVAUXOLJEATLTB-MGPQQGTHSA-N 2 0 263.385 0.446 20 30 CCEDRP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001331844074 917658609 /nfs/dbraw/zinc/65/86/09/917658609.db2.gz ZXBZTKQLNDRDMA-CABCVRRESA-N 2 0 297.443 0.894 20 30 CCEDRP C=CCO[C@H]1CC[N@@H+](C[C@H](O)CN(C)CCOC)C1 ZINC001332839301 918472417 /nfs/dbraw/zinc/47/24/17/918472417.db2.gz BMYIHWNSQQTNAT-KGLIPLIRSA-N 2 0 272.389 0.202 20 30 CCEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C2 ZINC001332998367 918592328 /nfs/dbraw/zinc/59/23/28/918592328.db2.gz DRIZPDUMXNHCPI-GMXVVIOVSA-N 2 0 250.346 0.075 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC001335425935 920188941 /nfs/dbraw/zinc/18/89/41/920188941.db2.gz KIDLFKVTIVIGMI-UONOGXRCSA-N 2 0 254.374 0.053 20 30 CCEDRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001335896239 920500008 /nfs/dbraw/zinc/50/00/08/920500008.db2.gz FFJYCTMCXGCYIC-OAHLLOKOSA-N 2 0 296.459 0.904 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001336878379 921079712 /nfs/dbraw/zinc/07/97/12/921079712.db2.gz ZEJWWJLMQPCXEF-KGLIPLIRSA-N 2 0 280.416 0.568 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001340107351 921960873 /nfs/dbraw/zinc/96/08/73/921960873.db2.gz XYRMMHAVXRXGGM-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001342274415 922890412 /nfs/dbraw/zinc/89/04/12/922890412.db2.gz HDBHIADPNJOJCM-DGCLKSJQSA-N 2 0 250.346 0.362 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1CC[NH3+] ZINC001342448202 922965989 /nfs/dbraw/zinc/96/59/89/922965989.db2.gz IPJXNSLXUXPYBV-JHJVBQTASA-N 2 0 266.389 0.841 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001479621987 923235332 /nfs/dbraw/zinc/23/53/32/923235332.db2.gz ACDLRCFKDKLNBJ-UHFFFAOYSA-N 2 0 280.416 0.677 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(CC[NH3+])cc1 ZINC001353614186 925884629 /nfs/dbraw/zinc/88/46/29/925884629.db2.gz XDHFOHDROBOWDA-QWHCGFSZSA-N 2 0 258.325 0.029 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC001354683998 926152880 /nfs/dbraw/zinc/15/28/80/926152880.db2.gz SHHFBCAXVQTOTB-GRYCIOLGSA-N 2 0 252.362 0.369 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH3+])CC2)CC1 ZINC001357669284 926582533 /nfs/dbraw/zinc/58/25/33/926582533.db2.gz XXUFZVIMRLCUFU-UHFFFAOYSA-N 2 0 252.362 0.427 20 30 CCEDRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1C ZINC001358177998 926651782 /nfs/dbraw/zinc/65/17/82/926651782.db2.gz VNVCXQUPPFRSCI-FIQHERPVSA-N 2 0 252.362 0.605 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000601976486 362447247 /nfs/dbraw/zinc/44/72/47/362447247.db2.gz QWTLHUSZXYMPII-VXGBXAGGSA-N 2 0 266.389 0.902 20 30 CCEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000602725657 362774005 /nfs/dbraw/zinc/77/40/05/362774005.db2.gz SJAQCLWJGOPBRV-ZIAGYGMSSA-N 2 0 281.400 0.742 20 30 CCEDRP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)ccc1C#N ZINC000234922044 352178251 /nfs/dbraw/zinc/17/82/51/352178251.db2.gz KJEUYOPVTBGPBR-UHFFFAOYSA-N 2 0 288.395 0.904 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)Cn1ccnc1 ZINC000296168252 353934785 /nfs/dbraw/zinc/93/47/85/353934785.db2.gz BGFNGIUUWIGSOQ-ZDUSSCGKSA-N 2 0 277.372 0.526 20 30 CCEDRP CN1CCN(C(=O)NCc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000557113820 291022865 /nfs/dbraw/zinc/02/28/65/291022865.db2.gz WMPARAOZQUZTEB-AWEZNQCLSA-N 2 0 287.367 0.343 20 30 CCEDRP C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+]1CCCCC1 ZINC000584048072 359162051 /nfs/dbraw/zinc/16/20/51/359162051.db2.gz BSCAGDOBEWKFHK-HZPDHXFCSA-N 2 0 296.459 0.904 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726610 359648540 /nfs/dbraw/zinc/64/85/40/359648540.db2.gz WDLKNHBZXUYWJP-QLFBSQMISA-N 2 0 280.416 0.409 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000591770772 359657367 /nfs/dbraw/zinc/65/73/67/359657367.db2.gz YNFAMDYPBOVDHI-LSDHHAIUSA-N 2 0 282.432 0.514 20 30 CCEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592153756 359771697 /nfs/dbraw/zinc/77/16/97/359771697.db2.gz OIBNPZKFKJTANJ-MRXNPFEDSA-N 2 0 294.443 0.753 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[NH3+] ZINC000593915318 360210422 /nfs/dbraw/zinc/21/04/22/360210422.db2.gz ITODWCXGRLOXIF-UPJWGTAASA-N 2 0 266.389 0.983 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)[NH2+]1 ZINC000594426671 360301284 /nfs/dbraw/zinc/30/12/84/360301284.db2.gz QRQDWGJRCLGNQF-TUAOUCFPSA-N 2 0 252.362 0.606 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000594440712 360310024 /nfs/dbraw/zinc/31/00/24/360310024.db2.gz BDQGGLNKBMHTOW-AVGNSLFASA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000594442390 360310081 /nfs/dbraw/zinc/31/00/81/360310081.db2.gz QVVQNZLZJIDLNJ-UTUOFQBUSA-N 2 0 252.362 0.784 20 30 CCEDRP C[C@@H](CCNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000595938903 360715522 /nfs/dbraw/zinc/71/55/22/360715522.db2.gz RAAARNSHUANKTF-RYUDHWBXSA-N 2 0 254.378 0.854 20 30 CCEDRP C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000574462753 335021706 /nfs/dbraw/zinc/02/17/06/335021706.db2.gz LZAFQTIYZQEULV-LBPRGKRZSA-N 2 0 264.373 0.432 20 30 CCEDRP C#CC[N@H+](C)CCCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000292911431 388968334 /nfs/dbraw/zinc/96/83/34/388968334.db2.gz XNIDHJVLFZOCSQ-UHFFFAOYSA-N 2 0 285.355 0.612 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348998072 389399684 /nfs/dbraw/zinc/39/96/84/389399684.db2.gz KADNOOZAHROZEG-UHFFFAOYSA-N 2 0 267.373 0.132 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000171127330 389471763 /nfs/dbraw/zinc/47/17/63/389471763.db2.gz NIQZKBQPIAHZCY-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442774490 389862830 /nfs/dbraw/zinc/86/28/30/389862830.db2.gz AKMDRBIYTSAUTD-RDBSUJKOSA-N 2 0 250.390 0.904 20 30 CCEDRP CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000516283077 390481557 /nfs/dbraw/zinc/48/15/57/390481557.db2.gz QWJAQQSZAPLMII-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000645944939 390541805 /nfs/dbraw/zinc/54/18/05/390541805.db2.gz IRHHRTNNXHWSED-LLVKDONJSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000662394855 414714042 /nfs/dbraw/zinc/71/40/42/414714042.db2.gz OTMCMHFDWBHORI-AWEZNQCLSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662431972 414718077 /nfs/dbraw/zinc/71/80/77/414718077.db2.gz NSCCTNGFSAKTEV-YRGRVCCFSA-N 2 0 267.373 0.259 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662683107 414740616 /nfs/dbraw/zinc/74/06/16/414740616.db2.gz VTGOFRXUAYXNOO-JSGCOSHPSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662721119 414746225 /nfs/dbraw/zinc/74/62/25/414746225.db2.gz JPJXMHHNADRBNJ-CHWSQXEVSA-N 2 0 267.373 0.117 20 30 CCEDRP CC1(C)C[NH+](CC#CC[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000342181644 263394357 /nfs/dbraw/zinc/39/43/57/263394357.db2.gz ZWYZIDPGDPPLAJ-ZIAGYGMSSA-N 2 0 280.412 0.395 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)CC1(CO)CC1)CC1(CO)CC1 ZINC000342181632 263394436 /nfs/dbraw/zinc/39/44/36/263394436.db2.gz ZUCJNXDTCDKHLR-UHFFFAOYSA-N 2 0 280.412 0.398 20 30 CCEDRP CC[C@H](CC#N)N[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000584122263 327044904 /nfs/dbraw/zinc/04/49/04/327044904.db2.gz MHRTVGCGLUJYLZ-CHWSQXEVSA-N 2 0 266.389 0.821 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000561164066 327370352 /nfs/dbraw/zinc/37/03/52/327370352.db2.gz GEJPGWHBBMEQTH-UHFFFAOYSA-N 2 0 280.416 0.936 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N(C)C[C@H]1CCOC1 ZINC000178964454 329203198 /nfs/dbraw/zinc/20/31/98/329203198.db2.gz RPYKKAYLNIOETL-CYBMUJFWSA-N 2 0 268.405 0.626 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000262501535 330018035 /nfs/dbraw/zinc/01/80/35/330018035.db2.gz YPFBIHGHKQWUCN-QWHCGFSZSA-N 2 0 268.405 0.896 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262799670 330032293 /nfs/dbraw/zinc/03/22/93/330032293.db2.gz QTBSGDKPFCXMCH-UHFFFAOYSA-N 2 0 280.416 0.693 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424135256 330269485 /nfs/dbraw/zinc/26/94/85/330269485.db2.gz OPMKJAGRWMGITF-RYUDHWBXSA-N 2 0 252.362 0.464 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424143032 330286608 /nfs/dbraw/zinc/28/66/08/330286608.db2.gz VUKNOKNGRVHHNZ-KGLIPLIRSA-N 2 0 296.415 0.481 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160787 330306301 /nfs/dbraw/zinc/30/63/01/330306301.db2.gz UVBCZCOTDKKQSO-CHWSQXEVSA-N 2 0 282.388 0.235 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000491326309 332190326 /nfs/dbraw/zinc/19/03/26/332190326.db2.gz LVONCDXGHFIONP-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000491675499 332281169 /nfs/dbraw/zinc/28/11/69/332281169.db2.gz ZGFQCWMKEGFYTD-UHFFFAOYSA-N 2 0 268.405 0.568 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000491714315 332305030 /nfs/dbraw/zinc/30/50/30/332305030.db2.gz MHSDMXQZRSCAAK-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCCOCC ZINC000491728519 332311105 /nfs/dbraw/zinc/31/11/05/332311105.db2.gz DKDXFBGRHPBHMM-UHFFFAOYSA-N 2 0 254.378 0.482 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000491744292 332322249 /nfs/dbraw/zinc/32/22/49/332322249.db2.gz IUTGGZFWOIIZHL-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000491767653 332335315 /nfs/dbraw/zinc/33/53/15/332335315.db2.gz JAHGCEPIYUAGJC-GFCCVEGCSA-N 2 0 252.362 0.234 20 30 CCEDRP C[NH+](C)C/C=C\C(=O)N(CCC#N)CCC[NH+](C)C ZINC000491882328 332373369 /nfs/dbraw/zinc/37/33/69/332373369.db2.gz JGCPTNUDLNDAGX-YVMONPNESA-N 2 0 266.389 0.798 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000581487184 336087780 /nfs/dbraw/zinc/08/77/80/336087780.db2.gz XSANDQXHVHBWCT-AAEUAGOBSA-N 2 0 251.374 0.751 20 30 CCEDRP C=C(C)[C@@H](CO)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679319139 545406817 /nfs/dbraw/zinc/40/68/17/545406817.db2.gz ROHKMUVXUZICRF-CQSZACIVSA-N 2 0 255.406 0.493 20 30 CCEDRP C[C@H]1CC(=NNC(=S)NCCC[NH+](C)C)CC[N@@H+]1C ZINC000741465050 581754583 /nfs/dbraw/zinc/75/45/83/581754583.db2.gz YBLFKAYAMBSEKR-NSHDSACASA-N 2 0 285.461 0.872 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+](CC)CC)CC1 ZINC000743489924 581814013 /nfs/dbraw/zinc/81/40/13/581814013.db2.gz MJEHUUAWWRWEEK-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841911130 613076065 /nfs/dbraw/zinc/07/60/65/613076065.db2.gz YSMBCNXTSOBLNU-CYBMUJFWSA-N 2 0 266.389 0.383 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970448189 612960141 /nfs/dbraw/zinc/96/01/41/612960141.db2.gz RYKNQJJFQLKYLY-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCCN(CCOC)C[C@H](O)C[N@H+](C)C(C)C ZINC000852749443 612989334 /nfs/dbraw/zinc/98/93/34/612989334.db2.gz YGTOSVGQXWFUOS-CQSZACIVSA-N 2 0 256.390 0.659 20 30 CCEDRP C#CCCN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000874263867 613009451 /nfs/dbraw/zinc/00/94/51/613009451.db2.gz NTTVZHNYQUVDRM-CQSZACIVSA-N 2 0 263.385 0.496 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000962768980 613043576 /nfs/dbraw/zinc/04/35/76/613043576.db2.gz YEZQLKKVQKOWJT-XUWVNRHRSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000959999573 613044348 /nfs/dbraw/zinc/04/43/48/613044348.db2.gz DOSYQZCYRKHYSS-AALSBFMBSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CCN(C(=O)N[C@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000914315296 613068170 /nfs/dbraw/zinc/06/81/70/613068170.db2.gz PKVSCZPYCMVPSQ-AWEZNQCLSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000972334772 613080896 /nfs/dbraw/zinc/08/08/96/613080896.db2.gz JUSSEKZGIALAKM-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000856486026 613129122 /nfs/dbraw/zinc/12/91/22/613129122.db2.gz UFUKRRQOGTUOHV-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000920404206 613135027 /nfs/dbraw/zinc/13/50/27/613135027.db2.gz LUIMWIQILWSFCK-DZGCQCFKSA-N 2 0 292.427 0.866 20 30 CCEDRP C[NH+]=C(NCCC[N@H+](C)C(C)C)NCCN1CCOCC1 ZINC000848987704 613219594 /nfs/dbraw/zinc/21/95/94/613219594.db2.gz SOLQZYUDVAMYPY-UHFFFAOYSA-N 2 0 299.463 0.214 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167015 613223590 /nfs/dbraw/zinc/22/35/90/613223590.db2.gz OSOWBMRQFFTGLV-CQSZACIVSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000940648665 613263580 /nfs/dbraw/zinc/26/35/80/613263580.db2.gz GNHKRGKVMPGCQX-KGLIPLIRSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982798754 613293346 /nfs/dbraw/zinc/29/33/46/613293346.db2.gz NRMLIOFFKRIXNI-OIISXLGYSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978161249 613307718 /nfs/dbraw/zinc/30/77/18/613307718.db2.gz SZYDMMCYPKHDCQ-JONQDZQNSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC000979080604 613308757 /nfs/dbraw/zinc/30/87/57/613308757.db2.gz SDWYRVRHUQHCCC-LVQVYYBASA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978145184 613309060 /nfs/dbraw/zinc/30/90/60/613309060.db2.gz OYCYEZZABPPYPV-YHUYYLMFSA-N 2 0 287.407 0.255 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961344893 613314812 /nfs/dbraw/zinc/31/48/12/613314812.db2.gz WENBVINMSXQISG-FXUDXRNXSA-N 2 0 287.407 0.540 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592557 613339620 /nfs/dbraw/zinc/33/96/20/613339620.db2.gz RRHPPSNJCSBWFU-ZIAGYGMSSA-N 2 0 293.411 0.067 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000900373978 613363681 /nfs/dbraw/zinc/36/36/81/613363681.db2.gz KTGDRJOJBYXOPA-UHFFFAOYSA-N 2 0 283.416 0.675 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000900602837 613363793 /nfs/dbraw/zinc/36/37/93/613363793.db2.gz TWUWZRSOVQESFK-UHFFFAOYSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000900696182 613364921 /nfs/dbraw/zinc/36/49/21/613364921.db2.gz RJXUQYBCNLFESS-CQSZACIVSA-N 2 0 282.432 0.246 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900373032 613365697 /nfs/dbraw/zinc/36/56/97/613365697.db2.gz YNYDGJUEAOUHFZ-LBPRGKRZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(CO)C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC000870667119 613367463 /nfs/dbraw/zinc/36/74/63/613367463.db2.gz RHODNUCVQASXMO-UHFFFAOYSA-N 2 0 276.340 0.320 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000876843812 613387546 /nfs/dbraw/zinc/38/75/46/613387546.db2.gz XBNWEFJUXLLADC-LPEHRKFASA-N 2 0 263.744 0.615 20 30 CCEDRP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972992475 613554949 /nfs/dbraw/zinc/55/49/49/613554949.db2.gz RSTIQSQUUXUBFW-KGLIPLIRSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283164 613585564 /nfs/dbraw/zinc/58/55/64/613585564.db2.gz SJUWPSSFGMTJSX-LSDHHAIUSA-N 2 0 295.427 0.457 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366791 613586789 /nfs/dbraw/zinc/58/67/89/613586789.db2.gz ORFGJPORFBJSFF-ZIAGYGMSSA-N 2 0 253.390 0.293 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000923282758 613590973 /nfs/dbraw/zinc/59/09/73/613590973.db2.gz XQCNHHSXZJIVKQ-OLZOCXBDSA-N 2 0 269.389 0.100 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629831 613611794 /nfs/dbraw/zinc/61/17/94/613611794.db2.gz YLVYIUUWCVJITQ-CQSZACIVSA-N 2 0 295.427 0.816 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978152986 613628766 /nfs/dbraw/zinc/62/87/66/613628766.db2.gz HBISZRYOJCIJAE-QCODTGAPSA-N 2 0 289.423 0.644 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980397930 613633899 /nfs/dbraw/zinc/63/38/99/613633899.db2.gz SQSRQHIBQBTRBS-STQMWFEESA-N 2 0 251.374 0.657 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC000958414623 613635019 /nfs/dbraw/zinc/63/50/19/613635019.db2.gz HTSXVUYIDXOSAG-RFQIPJPRSA-N 2 0 261.369 0.150 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)C1=O ZINC000843355569 613738137 /nfs/dbraw/zinc/73/81/37/613738137.db2.gz VXIVFSCIHMKZRX-WXRRBKDZSA-N 2 0 251.374 0.975 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962295856 613837038 /nfs/dbraw/zinc/83/70/38/613837038.db2.gz HNDUBYYNIQLVEA-ITGUQSILSA-N 2 0 261.369 0.315 20 30 CCEDRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876532814 614228077 /nfs/dbraw/zinc/22/80/77/614228077.db2.gz BSCGAYYVOTXOIE-CABCVRRESA-N 2 0 286.379 0.845 20 30 CCEDRP CCCC[C@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884042715 614483052 /nfs/dbraw/zinc/48/30/52/614483052.db2.gz GSQBYTABNLFLRC-SBEAFCBVSA-N 2 0 278.400 0.759 20 30 CCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884304032 614808168 /nfs/dbraw/zinc/80/81/68/614808168.db2.gz DUPYCXXLNRTPDM-XWAURUHHSA-N 2 0 276.384 0.382 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000104174545 614962197 /nfs/dbraw/zinc/96/21/97/614962197.db2.gz ZDAGMIXRMQTOSW-ZDUSSCGKSA-N 2 0 269.437 0.574 20 30 CCEDRP CC[NH+](CC)C[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862036 615001884 /nfs/dbraw/zinc/00/18/84/615001884.db2.gz QQZFHXWJWBOIAP-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP CCN1CC[NH+](CCCCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000848990067 615157043 /nfs/dbraw/zinc/15/70/43/615157043.db2.gz WWEUDDZJRSTSFV-ZDUSSCGKSA-N 2 0 267.421 0.341 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000104174740 615158853 /nfs/dbraw/zinc/15/88/53/615158853.db2.gz LNQYLPSHVWFKBL-UONOGXRCSA-N 2 0 299.463 0.199 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000913522509 615859680 /nfs/dbraw/zinc/85/96/80/615859680.db2.gz MQSDYFUOPNZQTQ-OAHLLOKOSA-N 2 0 283.391 0.880 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884325596 616083478 /nfs/dbraw/zinc/08/34/78/616083478.db2.gz VQSYTKDVTREIRI-UYJPIKCFSA-N 2 0 290.411 0.678 20 30 CCEDRP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801961 616125468 /nfs/dbraw/zinc/12/54/68/616125468.db2.gz KXBPIWCDUHXWRQ-CABCVRRESA-N 2 0 286.379 0.389 20 30 CCEDRP C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884197668 616189355 /nfs/dbraw/zinc/18/93/55/616189355.db2.gz ARRHKVMYFAQMEZ-SBEAFCBVSA-N 2 0 276.384 0.336 20 30 CCEDRP C[NH2+]CCN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876792399 616955348 /nfs/dbraw/zinc/95/53/48/616955348.db2.gz UZQAIDDNFOISAD-CQSZACIVSA-N 2 0 272.352 0.423 20 30 CCEDRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876526285 616984895 /nfs/dbraw/zinc/98/48/95/616984895.db2.gz RQLIXCAADPHAKR-XJKSGUPXSA-N 2 0 298.390 0.813 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]12 ZINC001026420559 625440260 /nfs/dbraw/zinc/44/02/60/625440260.db2.gz IZDNEKNAEFQDRR-RBSFLKMASA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001022716399 622693766 /nfs/dbraw/zinc/69/37/66/622693766.db2.gz WTSUMMCSJGBUGQ-RWMBFGLXSA-N 2 0 251.374 0.751 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCOC1 ZINC000245926874 622955852 /nfs/dbraw/zinc/95/58/52/622955852.db2.gz WWJRYXQKGBVNTI-CHWSQXEVSA-N 2 0 268.405 0.802 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001023446433 623034473 /nfs/dbraw/zinc/03/44/73/623034473.db2.gz PMESNJGRPBFVPH-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569727 623068675 /nfs/dbraw/zinc/06/86/75/623068675.db2.gz QPSVYXYOLAWBSE-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744876 623124801 /nfs/dbraw/zinc/12/48/01/623124801.db2.gz WICKPWHFMHJIQI-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001024801292 623446674 /nfs/dbraw/zinc/44/66/74/623446674.db2.gz MFNCPALKQMANPP-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC1 ZINC000261968233 624930342 /nfs/dbraw/zinc/93/03/42/624930342.db2.gz CFNYOHVCMNHHEL-VXGBXAGGSA-N 2 0 254.378 0.412 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000261970778 624944658 /nfs/dbraw/zinc/94/46/58/624944658.db2.gz DDEQEPWADNZFRD-ZDUSSCGKSA-N 2 0 269.437 0.492 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576661 630768705 /nfs/dbraw/zinc/76/87/05/630768705.db2.gz TWJFNLNOWBLYAR-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N(C)Cc1cccn1C ZINC000261944279 631717607 /nfs/dbraw/zinc/71/76/07/631717607.db2.gz FHRVRQBJHBBAJY-CYBMUJFWSA-N 2 0 277.416 0.984 20 30 CCEDRP C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261962264 631735879 /nfs/dbraw/zinc/73/58/79/631735879.db2.gz KNFNDCBUEAOGJD-MBNYWOFBSA-N 2 0 281.448 0.584 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC[C@@H](C)C1 ZINC000262781693 632737619 /nfs/dbraw/zinc/73/76/19/632737619.db2.gz LDKSSBOYMXFUGQ-HUUCEWRRSA-N 2 0 293.459 0.684 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC000987577413 632881193 /nfs/dbraw/zinc/88/11/93/632881193.db2.gz UMASTVOIJHBCOY-HOCLYGCPSA-N 2 0 287.407 0.544 20 30 CCEDRP C=CCN1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989666493 633341715 /nfs/dbraw/zinc/34/17/15/633341715.db2.gz DQSKZKKDEGQLPH-UHFFFAOYSA-N 2 0 251.374 0.803 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989673233 633343871 /nfs/dbraw/zinc/34/38/71/633343871.db2.gz KFBHGCBJPKHXTG-UHFFFAOYSA-N 2 0 274.368 0.749 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203477 650139900 /nfs/dbraw/zinc/13/99/00/650139900.db2.gz RKHYSTITVUEAMW-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC#CC[NH+](C)C ZINC000913518772 636834509 /nfs/dbraw/zinc/83/45/09/636834509.db2.gz AFZXGDLQUGELMO-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170913005 637105213 /nfs/dbraw/zinc/10/52/13/637105213.db2.gz BSGFVMWGHQETIR-CYBMUJFWSA-N 2 0 290.415 0.834 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001015781134 638023942 /nfs/dbraw/zinc/02/39/42/638023942.db2.gz JDDXYRJWHNFPGA-ZDUSSCGKSA-N 2 0 274.368 0.830 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N[C@H]1CCN(C2CC2)C1 ZINC000083102383 638791761 /nfs/dbraw/zinc/79/17/61/638791761.db2.gz ZHWZSUOIFCWYIV-ZDUSSCGKSA-N 2 0 279.432 0.484 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC000995924538 638804530 /nfs/dbraw/zinc/80/45/30/638804530.db2.gz PVGLMEQAGCGDBK-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001001278969 639274098 /nfs/dbraw/zinc/27/40/98/639274098.db2.gz OJWABDRFNZRDIF-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003630917 639579954 /nfs/dbraw/zinc/57/99/54/639579954.db2.gz QIKQRXLVRYCZGE-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006298949 640219184 /nfs/dbraw/zinc/21/91/84/640219184.db2.gz MGQCWLCFWMNFCK-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000834490373 642582021 /nfs/dbraw/zinc/58/20/21/642582021.db2.gz UTARMCWSUNVDDL-OAGGEKHMSA-N 2 0 298.390 0.879 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCCC2)CC1 ZINC001016974267 650775193 /nfs/dbraw/zinc/77/51/93/650775193.db2.gz KYPXUUAJWVWHAK-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000841849743 642843899 /nfs/dbraw/zinc/84/38/99/642843899.db2.gz JNZXHAZNMNTZJV-QWQWKMKNSA-N 2 0 262.357 0.135 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000848413004 643634868 /nfs/dbraw/zinc/63/48/68/643634868.db2.gz HUFYGYAHDQSFID-MCIONIFRSA-N 2 0 294.399 0.377 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000848427730 643635697 /nfs/dbraw/zinc/63/56/97/643635697.db2.gz QFLXIRMWRJLEJO-UWVGGRQHSA-N 2 0 274.315 0.511 20 30 CCEDRP C=CC[C@@H](CO)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849016186 643700698 /nfs/dbraw/zinc/70/06/98/643700698.db2.gz RNAMFSRBDCWLGO-OLZOCXBDSA-N 2 0 268.405 0.769 20 30 CCEDRP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC000852795373 644000868 /nfs/dbraw/zinc/00/08/68/644000868.db2.gz XRIUROFQDFWYQJ-JSGCOSHPSA-N 2 0 263.385 0.494 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000852859699 644027802 /nfs/dbraw/zinc/02/78/02/644027802.db2.gz XXNXNRGWPAHNOQ-CABCVRRESA-N 2 0 275.396 0.732 20 30 CCEDRP CC[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000852878752 644038948 /nfs/dbraw/zinc/03/89/48/644038948.db2.gz NXUBZXUBZZUSHD-KBPBESRZSA-N 2 0 263.385 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000852880890 644039751 /nfs/dbraw/zinc/03/97/51/644039751.db2.gz FPBKMWDQZAFHJV-NSHDSACASA-N 2 0 271.311 0.103 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000852882079 644040355 /nfs/dbraw/zinc/04/03/55/644040355.db2.gz XGPPXNSCBOZNMQ-ZIAGYGMSSA-N 2 0 261.369 0.200 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000852882849 644041424 /nfs/dbraw/zinc/04/14/24/644041424.db2.gz RCCNPHYNBQUZQO-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189486 650945488 /nfs/dbraw/zinc/94/54/88/650945488.db2.gz NPRCWXJPLOMTPI-GJZGRUSLSA-N 2 0 275.396 0.685 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000867961302 645689711 /nfs/dbraw/zinc/68/97/11/645689711.db2.gz WCROBQABCXHDAM-LSDHHAIUSA-N 2 0 284.363 0.599 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001020288700 651056261 /nfs/dbraw/zinc/05/62/61/651056261.db2.gz HLIXXNIZMDQJIW-AJNGGQMLSA-N 2 0 275.396 0.873 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171545 646746854 /nfs/dbraw/zinc/74/68/54/646746854.db2.gz AIKTUHHOMMFUMT-IJEWVQPXSA-N 2 0 296.374 0.708 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227472 647672262 /nfs/dbraw/zinc/67/22/62/647672262.db2.gz QHQXRXIJJZVXAQ-PGOFDVKTSA-N 2 0 290.411 0.584 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)C[NH2+]1 ZINC000884246390 647678259 /nfs/dbraw/zinc/67/82/59/647678259.db2.gz PWPZQHOJGBOMIT-CZAVRGAYSA-N 2 0 276.384 0.335 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[C@H]1CCC[NH2+]1)C2 ZINC000884300401 647701701 /nfs/dbraw/zinc/70/17/01/647701701.db2.gz ZCQVTUVJUFYAKP-IOSBVQAASA-N 2 0 290.411 0.774 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000245639956 649646985 /nfs/dbraw/zinc/64/69/85/649646985.db2.gz SAXPUPBSGVWYDG-DZGCQCFKSA-N 2 0 280.416 0.626 20 30 CCEDRP CCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303889977 649826484 /nfs/dbraw/zinc/82/64/84/649826484.db2.gz PTURYPKEGQOWHA-GFCCVEGCSA-N 2 0 255.410 0.184 20 30 CCEDRP C=CCNC(=[NH2+])NCCCC[NH+]1CCN(CC)CC1 ZINC000303252154 649813399 /nfs/dbraw/zinc/81/33/99/649813399.db2.gz BBTKJWHQGBNNDT-UHFFFAOYSA-N 2 0 267.421 0.494 20 30 CCEDRP CCNC(NCCCC[NH+]1CCN(C)CC1)=[NH+]CC ZINC000303365303 649817521 /nfs/dbraw/zinc/81/75/21/649817521.db2.gz GKKOJUPTAABDJA-UHFFFAOYSA-N 2 0 269.437 0.589 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303370712 649817581 /nfs/dbraw/zinc/81/75/81/649817581.db2.gz KNTZVISHPUDCGW-CYBMUJFWSA-N 2 0 269.437 0.717 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303776138 649824549 /nfs/dbraw/zinc/82/45/49/649824549.db2.gz HNKLHSHEXOBKHE-STQMWFEESA-N 2 0 268.405 0.966 20 30 CCEDRP C[C@H]1C[NH+](CCC[NH+]=C(N(C)C)N(C)C)C[C@H](C)O1 ZINC000303790532 649824824 /nfs/dbraw/zinc/82/48/24/649824824.db2.gz WHIUROYCTBTKRM-STQMWFEESA-N 2 0 270.421 0.965 20 30 CCEDRP C[C@@H]1CCCN(C(=[NH2+])NCCN2CCC[N@H+](C)CC2)C1 ZINC000303878817 649826303 /nfs/dbraw/zinc/82/63/03/649826303.db2.gz JIXIVZCZAXHZHW-CQSZACIVSA-N 2 0 281.448 0.671 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)C[NH+]1CCN(C)CC1 ZINC000303893706 649826678 /nfs/dbraw/zinc/82/66/78/649826678.db2.gz SCLZVRILUFKXPR-ZDUSSCGKSA-N 2 0 299.488 0.233 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000303969665 649827273 /nfs/dbraw/zinc/82/72/73/649827273.db2.gz BXSBETQNEZSYMH-ZIAGYGMSSA-N 2 0 281.448 0.669 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303976753 649827524 /nfs/dbraw/zinc/82/75/24/649827524.db2.gz KNVSCUWENXBLDV-QWRGUYRKSA-N 2 0 270.377 0.184 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000304738614 649837567 /nfs/dbraw/zinc/83/75/67/649837567.db2.gz AUZOMYQTXITCAZ-LLVKDONJSA-N 2 0 256.394 0.800 20 30 CCEDRP CCCCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304759670 649838197 /nfs/dbraw/zinc/83/81/97/649838197.db2.gz RLHNRFUUCFGSIG-UHFFFAOYSA-N 2 0 256.394 0.802 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCSCC1 ZINC000304822184 649839432 /nfs/dbraw/zinc/83/94/32/649839432.db2.gz CSWFUUQYVIMJOQ-GFCCVEGCSA-N 2 0 288.461 0.707 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)Cn2cncc2C)C1 ZINC001266523784 790867555 /nfs/dbraw/zinc/86/75/55/790867555.db2.gz VHFYQMVYVBVNGR-CQSZACIVSA-N 2 0 274.368 0.653 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001266540345 790902373 /nfs/dbraw/zinc/90/23/73/790902373.db2.gz VBYKCXBLCJKYGO-GFCCVEGCSA-N 2 0 260.341 0.414 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266564826 790936108 /nfs/dbraw/zinc/93/61/08/790936108.db2.gz CFOPZAHMCOHRLX-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266940269 791376462 /nfs/dbraw/zinc/37/64/62/791376462.db2.gz ZQFUQNJMAQADQH-GXTWGEPZSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267012166 791443791 /nfs/dbraw/zinc/44/37/91/791443791.db2.gz ZVRRCLUACKNFQO-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267129375 791574146 /nfs/dbraw/zinc/57/41/46/791574146.db2.gz OEMIFIZCOPVAGX-RBSFLKMASA-N 2 0 295.427 0.461 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC)CC1 ZINC001267232745 791714013 /nfs/dbraw/zinc/71/40/13/791714013.db2.gz LQPKPMBSKLIIKQ-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267253894 793249865 /nfs/dbraw/zinc/24/98/65/793249865.db2.gz UXYPJHVRSHMUSZ-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277937813 806408113 /nfs/dbraw/zinc/40/81/13/806408113.db2.gz JAJBVPRDIPNEGB-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP C[NH+](C)CCN1CCC2(C[NH+](CCCC#N)C2)C1 ZINC001277945054 806422509 /nfs/dbraw/zinc/42/25/09/806422509.db2.gz KRRSDMZDTUUUCJ-UHFFFAOYSA-N 2 0 250.390 0.859 20 30 CCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001277979827 806546766 /nfs/dbraw/zinc/54/67/66/806546766.db2.gz RGHWGXYPZQSTEO-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122022860 799124948 /nfs/dbraw/zinc/12/49/48/799124948.db2.gz LUNCRRWKGUZDJA-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001122241707 799177245 /nfs/dbraw/zinc/17/72/45/799177245.db2.gz AOTHCTCJDQFEMN-KXUCPTDWSA-N 2 0 292.305 0.746 20 30 CCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001278165163 806737217 /nfs/dbraw/zinc/73/72/17/806737217.db2.gz UIVHQAIPBFCWOO-HUUCEWRRSA-N 2 0 295.427 0.339 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001278201702 806770496 /nfs/dbraw/zinc/77/04/96/806770496.db2.gz JICWPPCWCASNFE-KBPBESRZSA-N 2 0 283.416 0.360 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C#N)nc1 ZINC001140542716 799922384 /nfs/dbraw/zinc/92/23/84/799922384.db2.gz FXMCMZIBVIGING-UHFFFAOYSA-N 2 0 275.400 0.878 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230874 800504241 /nfs/dbraw/zinc/50/42/41/800504241.db2.gz PEDNDSQMVGTQMO-UHFFFAOYSA-N 2 0 283.416 0.771 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306356 801617421 /nfs/dbraw/zinc/61/74/21/801617421.db2.gz QNKAVFIHCMMYJA-SOUVJXGZSA-N 2 0 284.363 0.248 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868826 801884036 /nfs/dbraw/zinc/88/40/36/801884036.db2.gz MNWBURXZSXZLFS-OAHLLOKOSA-N 2 0 293.411 0.359 20 30 CCEDRP C=CCN1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160435890 801940641 /nfs/dbraw/zinc/94/06/41/801940641.db2.gz FIILYCZTQODSDT-ZDUSSCGKSA-N 2 0 268.405 0.163 20 30 CCEDRP N#CCCN(CCC#N)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160750238 802014510 /nfs/dbraw/zinc/01/45/10/802014510.db2.gz GDMNFYWMMSSWFW-NSHDSACASA-N 2 0 251.334 0.099 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278326667 806965002 /nfs/dbraw/zinc/96/50/02/806965002.db2.gz SNXOGTQDZHHCFZ-CABCVRRESA-N 2 0 295.427 0.555 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163231337 802509460 /nfs/dbraw/zinc/50/94/60/802509460.db2.gz CLIYDIGNIHRAMX-HNNXBMFYSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC(N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1)=[NH+]COC ZINC001163313413 802531960 /nfs/dbraw/zinc/53/19/60/802531960.db2.gz XLFIPJBPYMNCLM-YPMHNXCESA-N 2 0 253.346 0.676 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165246863 802804043 /nfs/dbraw/zinc/80/40/43/802804043.db2.gz VBDGZGJBGOAKKM-UHFFFAOYSA-N 2 0 263.341 0.684 20 30 CCEDRP CCNC(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)=[NH+]CC ZINC000395587551 811711976 /nfs/dbraw/zinc/71/19/76/811711976.db2.gz ZADAKFAXKYGDLL-VXGBXAGGSA-N 2 0 254.378 0.425 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971162 803003579 /nfs/dbraw/zinc/00/35/79/803003579.db2.gz JRIOFZCZWCLZSR-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C=CCN(CC[N@@H+]1CCCC[C@](O)(C[NH3+])C1)C(=O)OCC ZINC001205664093 803153770 /nfs/dbraw/zinc/15/37/70/803153770.db2.gz LKWDWBSAZIFOGR-HNNXBMFYSA-N 2 0 299.415 0.807 20 30 CCEDRP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206927625 803309781 /nfs/dbraw/zinc/30/97/81/803309781.db2.gz HWNVXAWKZDIGOE-CQSZACIVSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697490 803439207 /nfs/dbraw/zinc/43/92/07/803439207.db2.gz BBEIHIAFCVWJDR-RBSFLKMASA-N 2 0 297.443 0.966 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208062967 803484781 /nfs/dbraw/zinc/48/47/81/803484781.db2.gz HWVBKMRXWVGOCH-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210529656 803652794 /nfs/dbraw/zinc/65/27/94/803652794.db2.gz ZAAZKXLKGPVUGC-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001272085127 814955702 /nfs/dbraw/zinc/95/57/02/814955702.db2.gz HVDFKBJIPKDLGK-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214648820 803754914 /nfs/dbraw/zinc/75/49/14/803754914.db2.gz XRNWPRFCKVXABA-VNQPRFMTSA-N 2 0 289.423 0.788 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455872 803810139 /nfs/dbraw/zinc/81/01/39/803810139.db2.gz HMEVJJDVQMBLPE-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000402125704 803814122 /nfs/dbraw/zinc/81/41/22/803814122.db2.gz CNSNTVKDEZZRHD-TZMCWYRMSA-N 2 0 275.352 0.579 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001276728030 803825178 /nfs/dbraw/zinc/82/51/78/803825178.db2.gz RVKOPFJXBFRCFI-PHZGNYQRSA-N 2 0 289.423 0.646 20 30 CCEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCCN1CC[NH2+]CC1 ZINC001217927836 803927175 /nfs/dbraw/zinc/92/71/75/803927175.db2.gz YDGNMIGMIQFRQK-ZIAGYGMSSA-N 2 0 253.390 0.605 20 30 CCEDRP Cc1noc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1C#N ZINC001218503485 803970466 /nfs/dbraw/zinc/97/04/66/803970466.db2.gz NUVIWEMMGRMCQV-SNVBAGLBSA-N 2 0 263.301 0.120 20 30 CCEDRP Cc1cc(C#N)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001218554075 804001752 /nfs/dbraw/zinc/00/17/52/804001752.db2.gz GPDQSVZINTXYNT-SNVBAGLBSA-N 2 0 276.365 0.676 20 30 CCEDRP N#CCc1cccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218988639 804176225 /nfs/dbraw/zinc/17/62/25/804176225.db2.gz YSPRUFPBYFKZLD-ZDUSSCGKSA-N 2 0 270.336 0.500 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC001219940622 804453487 /nfs/dbraw/zinc/45/34/87/804453487.db2.gz AEZCPTIOYMBXQT-HNNXBMFYSA-N 2 0 293.411 0.488 20 30 CCEDRP N#CCCCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220191249 804531959 /nfs/dbraw/zinc/53/19/59/804531959.db2.gz BQAZTNUCFYSEIJ-LBPRGKRZSA-N 2 0 264.373 0.671 20 30 CCEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220596733 804634434 /nfs/dbraw/zinc/63/44/34/804634434.db2.gz GYDBQYTWROCYDY-ZIAGYGMSSA-N 2 0 272.352 0.728 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220701258 804652403 /nfs/dbraw/zinc/65/24/03/804652403.db2.gz YVOBNQBBKJKQKY-NEPJUHHUSA-N 2 0 252.362 0.368 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC001220884647 804689761 /nfs/dbraw/zinc/68/97/61/804689761.db2.gz JOVZXLNKWFAZDF-GJZGRUSLSA-N 2 0 286.379 0.686 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001277292069 805439352 /nfs/dbraw/zinc/43/93/52/805439352.db2.gz UUMWHFAEBSRGHK-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246058915 807135781 /nfs/dbraw/zinc/13/57/81/807135781.db2.gz HRODHPGNIVIJEO-MJBXVCDLSA-N 2 0 254.374 0.624 20 30 CCEDRP C#CCCC1(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)N=N1 ZINC001246515461 807270286 /nfs/dbraw/zinc/27/02/86/807270286.db2.gz NLWDZPATOJDBPO-GFCCVEGCSA-N 2 0 261.373 0.636 20 30 CCEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246834181 807400497 /nfs/dbraw/zinc/40/04/97/807400497.db2.gz NFWYTSKLWHYTOV-FQUUOJAGSA-N 2 0 260.385 0.847 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001251821402 807708658 /nfs/dbraw/zinc/70/86/58/807708658.db2.gz NVMBNXYFYZQMLU-CQSZACIVSA-N 2 0 254.374 0.319 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001251880917 807732010 /nfs/dbraw/zinc/73/20/10/807732010.db2.gz KELAXOXQBQTGGH-MRXNPFEDSA-N 2 0 276.380 0.849 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001251881511 807732752 /nfs/dbraw/zinc/73/27/52/807732752.db2.gz WNSLKXDTKDMPIO-AWEZNQCLSA-N 2 0 254.374 0.460 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001252455322 807871547 /nfs/dbraw/zinc/87/15/47/807871547.db2.gz ZUJUGFICHCBWFX-OAHLLOKOSA-N 2 0 277.368 0.767 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278787386 808248910 /nfs/dbraw/zinc/24/89/10/808248910.db2.gz QZMALIQJXDKOSZ-GOEBONIOSA-N 2 0 295.427 0.149 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001278839764 808315392 /nfs/dbraw/zinc/31/53/92/808315392.db2.gz UCUOYMPKODZXDS-OAHLLOKOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCC[NH2+]C2CC2)CCC[NH2+]1 ZINC001261644213 809043414 /nfs/dbraw/zinc/04/34/14/809043414.db2.gz TZHJOSWDYSGUMN-AWEZNQCLSA-N 2 0 251.374 0.943 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001076254919 815267799 /nfs/dbraw/zinc/26/77/99/815267799.db2.gz ORRULOXMNXGVMG-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001263842611 809585449 /nfs/dbraw/zinc/58/54/49/809585449.db2.gz YHXHOLFKCXQPBN-OTVXOJSOSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264410234 809652769 /nfs/dbraw/zinc/65/27/69/809652769.db2.gz LDYNYQVPGDEWCW-MCIONIFRSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001264617429 809665432 /nfs/dbraw/zinc/66/54/32/809665432.db2.gz NJKMPNYCNKBLQT-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265146035 809715322 /nfs/dbraw/zinc/71/53/22/809715322.db2.gz KFKZVZWQQOVSGA-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP CC#CC[N@H+](CCCNC(=O)CC[NH+](C)C)C1CC1 ZINC001265174963 809720328 /nfs/dbraw/zinc/72/03/28/809720328.db2.gz PITYVCARGQXXLJ-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001265377905 809767635 /nfs/dbraw/zinc/76/76/35/809767635.db2.gz DVATVRVBEDIUMC-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265914816 809893133 /nfs/dbraw/zinc/89/31/33/809893133.db2.gz XOLQETTXUYIYEJ-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266012360 809917257 /nfs/dbraw/zinc/91/72/57/809917257.db2.gz BFONFBSVIVSAGI-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001266182940 809956570 /nfs/dbraw/zinc/95/65/70/809956570.db2.gz SCUXJRZKIOPQME-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001279114531 809970474 /nfs/dbraw/zinc/97/04/74/809970474.db2.gz SARSUFQNHORKHS-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001279847351 809998716 /nfs/dbraw/zinc/99/87/16/809998716.db2.gz NXWTXSIKRLONNM-OAHLLOKOSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267281979 811090204 /nfs/dbraw/zinc/09/02/04/811090204.db2.gz NNVGZMGATZLDLW-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008530628 811904658 /nfs/dbraw/zinc/90/46/58/811904658.db2.gz BGWLAQRFBDUJPC-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001267971279 811905176 /nfs/dbraw/zinc/90/51/76/811905176.db2.gz TXENYWDASHXQOP-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001268179066 812347858 /nfs/dbraw/zinc/34/78/58/812347858.db2.gz OAHBYBLIPAKIQH-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001268179067 812347869 /nfs/dbraw/zinc/34/78/69/812347869.db2.gz OAHBYBLIPAKIQH-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001268211222 812365742 /nfs/dbraw/zinc/36/57/42/812365742.db2.gz DFKONWKJVCBJLU-ZDUSSCGKSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[C@H](C(=O)NC[C@H]([NH2+]CC#CCOC)C(C)C)[NH+](C)C ZINC001268210665 812366060 /nfs/dbraw/zinc/36/60/60/812366060.db2.gz GGKJJYGGNLYWRD-LSDHHAIUSA-N 2 0 297.443 0.707 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268321704 812485131 /nfs/dbraw/zinc/48/51/31/812485131.db2.gz UZJUVYABJOVCQD-KGLIPLIRSA-N 2 0 283.416 0.361 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001268867607 813124151 /nfs/dbraw/zinc/12/41/51/813124151.db2.gz QXALKTPBBBRHDY-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCOCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001269273111 813300840 /nfs/dbraw/zinc/30/08/40/813300840.db2.gz RJSGHQZZQMNHSY-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001269958527 813566757 /nfs/dbraw/zinc/56/67/57/813566757.db2.gz GSPBHNNNBYWWDW-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001270625629 813849465 /nfs/dbraw/zinc/84/94/65/813849465.db2.gz ZJHKGJQWMDNYNG-AWEZNQCLSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828327 814227070 /nfs/dbraw/zinc/22/70/70/814227070.db2.gz IEMSCFNUUKBZFL-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001271930665 814632633 /nfs/dbraw/zinc/63/26/33/814632633.db2.gz WEKUXHXPSLLVQN-CABCVRRESA-N 2 0 297.443 0.871 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001272584310 816671670 /nfs/dbraw/zinc/67/16/70/816671670.db2.gz MXHOYBVJJJGEIP-CABCVRRESA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001272584312 816672374 /nfs/dbraw/zinc/67/23/74/816672374.db2.gz MXHOYBVJJJGEIP-GJZGRUSLSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106634436 816829090 /nfs/dbraw/zinc/82/90/90/816829090.db2.gz DURIWTXESHTNNH-RBSFLKMASA-N 2 0 279.428 0.890 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001032197742 817695137 /nfs/dbraw/zinc/69/51/37/817695137.db2.gz UQUUZCKZANGGGZ-CQSZACIVSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001032205620 817701398 /nfs/dbraw/zinc/70/13/98/817701398.db2.gz CYQVQNAIASJVEL-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272985997 818247174 /nfs/dbraw/zinc/24/71/74/818247174.db2.gz PDQCCYODBBSXHR-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP CN1CCN(C(=[NH2+])Nc2ccc(OCC#N)cn2)CC1 ZINC001168736459 818548074 /nfs/dbraw/zinc/54/80/74/818548074.db2.gz MSNLRTNHJFHGQH-UHFFFAOYSA-N 2 0 274.328 0.578 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594866 818843255 /nfs/dbraw/zinc/84/32/55/818843255.db2.gz RTUJVJBQGUSCTQ-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666813 818873762 /nfs/dbraw/zinc/87/37/62/818873762.db2.gz ZTDNYDNJGLKCKD-CYBMUJFWSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001033681113 818884856 /nfs/dbraw/zinc/88/48/56/818884856.db2.gz RUQSTHRNIJSEHD-KBPBESRZSA-N 2 0 281.400 0.426 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080940058 820658373 /nfs/dbraw/zinc/65/83/73/820658373.db2.gz VTKGLJVMTZGNQF-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406534 821287718 /nfs/dbraw/zinc/28/77/18/821287718.db2.gz RLUVWCBQDOFWGU-BZUAXINKSA-N 2 0 289.423 0.883 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775393 821387559 /nfs/dbraw/zinc/38/75/59/821387559.db2.gz FBEMEGLQDJVNNB-ARFHVFGLSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086177168 822143992 /nfs/dbraw/zinc/14/39/92/822143992.db2.gz JICKKQWVTRCXKD-QLFBSQMISA-N 2 0 293.411 0.213 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197757 822151254 /nfs/dbraw/zinc/15/12/54/822151254.db2.gz ZMGQXNLJQYDZTP-YIYPIFLZSA-N 2 0 263.385 0.302 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082690 822252734 /nfs/dbraw/zinc/25/27/34/822252734.db2.gz GYSGSTJMCOKPMQ-HUUCEWRRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110686 822308769 /nfs/dbraw/zinc/30/87/69/822308769.db2.gz ZORIITGPWZIELW-LSDHHAIUSA-N 2 0 295.427 0.600 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189087 837718891 /nfs/dbraw/zinc/71/88/91/837718891.db2.gz NCWUQHIPQXPLNG-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183648073 844054124 /nfs/dbraw/zinc/05/41/24/844054124.db2.gz ODYMSNUUBQZURK-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CCN1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108420917 836046701 /nfs/dbraw/zinc/04/67/01/836046701.db2.gz CGBUWXHHZLCHSS-MRXNPFEDSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283812 838349958 /nfs/dbraw/zinc/34/99/58/838349958.db2.gz JSVVHYRQKWFHPI-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272798 838352543 /nfs/dbraw/zinc/35/25/43/838352543.db2.gz BSPPTTVAFXBVTP-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086697803 838522664 /nfs/dbraw/zinc/52/26/64/838522664.db2.gz VLKLRRPKWUMEEK-NUEKZKHPSA-N 2 0 289.423 0.836 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102863 839162575 /nfs/dbraw/zinc/16/25/75/839162575.db2.gz PMILORVGOXYNRL-CABCVRRESA-N 2 0 295.427 0.912 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135376004 839230804 /nfs/dbraw/zinc/23/08/04/839230804.db2.gz QDWYIAZZWQGIBS-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185660192 844444150 /nfs/dbraw/zinc/44/41/50/844444150.db2.gz ZVSRFIUBMRIMKS-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP N#Cc1ccc2c(c1)ncnc2N[C@H]([NH3+])CCC[NH3+] ZINC001170897367 839542996 /nfs/dbraw/zinc/54/29/96/839542996.db2.gz FOGUCVBQDQCREE-LBPRGKRZSA-N 2 0 256.313 0.937 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185724228 844453929 /nfs/dbraw/zinc/45/39/29/844453929.db2.gz VHNAJGRXGGNCLH-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090538415 839625834 /nfs/dbraw/zinc/62/58/34/839625834.db2.gz QUMHVFPUGWLYNP-LSDHHAIUSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574774 839653406 /nfs/dbraw/zinc/65/34/06/839653406.db2.gz WZCYGSCXHXSYOX-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP CN(CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cn1 ZINC001144163309 839966591 /nfs/dbraw/zinc/96/65/91/839966591.db2.gz AOUHKBGWEGNGJK-UHFFFAOYSA-N 2 0 273.384 0.632 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001091201376 840131589 /nfs/dbraw/zinc/13/15/89/840131589.db2.gz PLKDDYXSFYFEQN-LQULJDIASA-N 2 0 277.412 0.834 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408527 840295438 /nfs/dbraw/zinc/29/54/38/840295438.db2.gz KNIZTBFKEPGPTN-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834465 840694358 /nfs/dbraw/zinc/69/43/58/840694358.db2.gz JJLJNCAFTMYNEN-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605399 840843140 /nfs/dbraw/zinc/84/31/40/840843140.db2.gz QYASXHUYUNBOTN-UHFFFAOYSA-N 2 0 281.400 0.285 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899700 840958439 /nfs/dbraw/zinc/95/84/39/840958439.db2.gz XBSGJYPCMNNMDZ-ZIAGYGMSSA-N 2 0 295.427 0.291 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176845739 842446579 /nfs/dbraw/zinc/44/65/79/842446579.db2.gz VOUOHEOJVPARAK-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176931204 842454219 /nfs/dbraw/zinc/45/42/19/842454219.db2.gz VWRLYPKPPOMGIZ-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138296 843104666 /nfs/dbraw/zinc/10/46/66/843104666.db2.gz AMVUYCXFEFGORY-IHRRRGAJSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138926 843105668 /nfs/dbraw/zinc/10/56/68/843105668.db2.gz RMGYNLFLUYBRHH-ZNMIVQPWSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCCC[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273542774 844734773 /nfs/dbraw/zinc/73/47/73/844734773.db2.gz ZPIZGZZQFJSTOU-MRXNPFEDSA-N 2 0 293.411 0.265 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187824967 844776885 /nfs/dbraw/zinc/77/68/85/844776885.db2.gz DQKYOJANSUEPCP-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189400930 845131837 /nfs/dbraw/zinc/13/18/37/845131837.db2.gz QONNSNJGQRZZCM-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192141498 845797650 /nfs/dbraw/zinc/79/76/50/845797650.db2.gz CKHRONPBCODYBY-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194284536 846266963 /nfs/dbraw/zinc/26/69/63/846266963.db2.gz HZUJNGALDYMICQ-CYBMUJFWSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCOC2)CC1 ZINC001152330817 846893923 /nfs/dbraw/zinc/89/39/23/846893923.db2.gz WCWHBOCAQREJNX-CQSZACIVSA-N 2 0 293.411 0.074 20 30 CCEDRP COCC#CCN1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001198097769 847042341 /nfs/dbraw/zinc/04/23/41/847042341.db2.gz HDLHMHNXBBPOJS-HNNXBMFYSA-N 2 0 293.411 0.122 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC001251891287 847354125 /nfs/dbraw/zinc/35/41/25/847354125.db2.gz PZHZWEBHLZZDPQ-AWEZNQCLSA-N 2 0 254.374 0.463 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200122091 847553752 /nfs/dbraw/zinc/55/37/52/847553752.db2.gz BFLWFEMVNQBUSY-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C[C@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273881878 847725668 /nfs/dbraw/zinc/72/56/68/847725668.db2.gz SGWMVQZBSMLRQP-AWEZNQCLSA-N 2 0 295.427 0.409 20 30 CCEDRP CC[C@H](C(=O)N1CCC([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001201240607 847746748 /nfs/dbraw/zinc/74/67/48/847746748.db2.gz XMQDEYLZKJGEDW-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201909517 847834213 /nfs/dbraw/zinc/83/42/13/847834213.db2.gz XIIZMWGGEBRVBV-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056814 847851478 /nfs/dbraw/zinc/85/14/78/847851478.db2.gz BWEOZOIFBQMAPK-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCNC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001202568847 848177879 /nfs/dbraw/zinc/17/78/79/848177879.db2.gz HWPMYTXPANDKQC-UHFFFAOYSA-N 2 0 280.416 0.841 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275405939 848711536 /nfs/dbraw/zinc/71/15/36/848711536.db2.gz ILBJSAOSZGDCLS-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275411859 848715006 /nfs/dbraw/zinc/71/50/06/848715006.db2.gz DKKYCPJELJQMLZ-QWHCGFSZSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275468558 848728445 /nfs/dbraw/zinc/72/84/45/848728445.db2.gz DGXCQUJZZDXQMY-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276003803 848888009 /nfs/dbraw/zinc/88/80/09/848888009.db2.gz UGGVYFAPHRTOFP-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])CCCC#N ZINC000720886987 849559098 /nfs/dbraw/zinc/55/90/98/849559098.db2.gz HTXNFQXPRRYZII-YNEHKIRRSA-N 2 0 264.373 0.703 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663177 849973130 /nfs/dbraw/zinc/97/31/30/849973130.db2.gz MPDJWNFRVGBCIT-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001045442271 851258145 /nfs/dbraw/zinc/25/81/45/851258145.db2.gz QPQUQOKRCMNGJU-HNNXBMFYSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322903 851464732 /nfs/dbraw/zinc/46/47/32/851464732.db2.gz DMEDUUYXJBOUKF-NVXWUHKLSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCCN2C)C1 ZINC001047429301 851762207 /nfs/dbraw/zinc/76/22/07/851762207.db2.gz SJIMEXKKXUUHJH-ILXRZTDVSA-N 2 0 295.427 0.550 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048721287 852034300 /nfs/dbraw/zinc/03/43/00/852034300.db2.gz ZRMSRVMXHLDAMK-MJBXVCDLSA-N 2 0 261.369 0.104 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C1 ZINC001048793213 852061081 /nfs/dbraw/zinc/06/10/81/852061081.db2.gz ZDKVVOPVAPBNCM-BETUJISGSA-N 2 0 272.352 0.366 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897069 852101956 /nfs/dbraw/zinc/10/19/56/852101956.db2.gz PQHYYPPYTACCOA-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024787 852140046 /nfs/dbraw/zinc/14/00/46/852140046.db2.gz BSUNADLTZQMOPU-GASCZTMLSA-N 2 0 275.396 0.352 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059759 852153973 /nfs/dbraw/zinc/15/39/73/852153973.db2.gz FWQDFHWGICPXQV-XQLPTFJDSA-N 2 0 277.412 0.760 20 30 CCEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096543278 852302481 /nfs/dbraw/zinc/30/24/81/852302481.db2.gz NLFYSDRKCSUXFG-MQYQWHSLSA-N 2 0 263.385 0.846 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001097100387 852500486 /nfs/dbraw/zinc/50/04/86/852500486.db2.gz NQMOKYIMSSTLKC-RYPNDVFKSA-N 2 0 275.396 0.681 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)CC[NH2+]C(C)(C)C ZINC000392769438 854094869 /nfs/dbraw/zinc/09/48/69/854094869.db2.gz QPKBUZPJERYSMV-UHFFFAOYSA-N 2 0 253.390 0.836 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072814459 854470913 /nfs/dbraw/zinc/47/09/13/854470913.db2.gz FQWSJTHIWBSPAF-OAHLLOKOSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072940360 854497883 /nfs/dbraw/zinc/49/78/83/854497883.db2.gz XGAZQTNVFAIBCM-UHFFFAOYSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073891314 854659589 /nfs/dbraw/zinc/65/95/89/854659589.db2.gz OHQZRXKUGXEMIK-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100066097 855090732 /nfs/dbraw/zinc/09/07/32/855090732.db2.gz CAIYWLFMIUFCEY-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407906 855161833 /nfs/dbraw/zinc/16/18/33/855161833.db2.gz NWPPAORGTLTIAD-ZALBZXLWSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342559 855284018 /nfs/dbraw/zinc/28/40/18/855284018.db2.gz AAMGHNNJOCNIRF-ZBFHGGJFSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511430 855442462 /nfs/dbraw/zinc/44/24/62/855442462.db2.gz XAYBDZRQLSBQOX-ZIAGYGMSSA-N 2 0 283.416 0.435 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241042 855653875 /nfs/dbraw/zinc/65/38/75/855653875.db2.gz ATYPXNPLRHVGON-FOLVSLTJSA-N 2 0 293.411 0.331 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)CCN1CCOCC1 ZINC001323320974 912263962 /nfs/dbraw/zinc/26/39/62/912263962.db2.gz YETBWYHDNGCCML-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325866334 913618760 /nfs/dbraw/zinc/61/87/60/913618760.db2.gz VPNICYIFQCFSDU-ZBFHGGJFSA-N 2 0 295.427 0.457 20 30 CCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481107397 892172057 /nfs/dbraw/zinc/17/20/57/892172057.db2.gz ANMMHLPRACHWKQ-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001268716376 893490003 /nfs/dbraw/zinc/49/00/03/893490003.db2.gz BNCFKLJIYKUQAH-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001501135287 893922383 /nfs/dbraw/zinc/92/23/83/893922383.db2.gz DJPZRUVWARSWIW-LSDHHAIUSA-N 2 0 295.427 0.272 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001271878027 894206502 /nfs/dbraw/zinc/20/65/02/894206502.db2.gz OJAHHTHIVUMHAY-CHWSQXEVSA-N 2 0 251.374 0.444 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482623164 894426335 /nfs/dbraw/zinc/42/63/35/894426335.db2.gz VJHJQKVGYGRVQO-UHFFFAOYSA-N 2 0 295.427 0.368 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001482846550 894647981 /nfs/dbraw/zinc/64/79/81/894647981.db2.gz KXRCUQVZMSWHOB-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410355 895547267 /nfs/dbraw/zinc/54/72/67/895547267.db2.gz 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/nfs/dbraw/zinc/91/89/22/898918922.db2.gz KITWWSOAUBHMJH-UHFFFAOYSA-N 2 0 275.396 0.854 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001488954695 900420027 /nfs/dbraw/zinc/42/00/27/900420027.db2.gz KXGKQDWHJFLMBE-SOUVJXGZSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490569914 900667956 /nfs/dbraw/zinc/66/79/56/900667956.db2.gz LRYUQDBSLSWFAQ-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490569913 900669109 /nfs/dbraw/zinc/66/91/09/900669109.db2.gz LRYUQDBSLSWFAQ-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001327291213 914465586 /nfs/dbraw/zinc/46/55/86/914465586.db2.gz NQWVHGWLXWEBSK-UHFFFAOYSA-N 2 0 251.374 0.496 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001490706461 900698410 /nfs/dbraw/zinc/69/84/10/900698410.db2.gz YGISMMMRYBXVFT-UONOGXRCSA-N 2 0 265.401 0.690 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001320284214 900921850 /nfs/dbraw/zinc/92/18/50/900921850.db2.gz UBSIZEYOPCMSPM-AWEZNQCLSA-N 2 0 283.416 0.361 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490857336 902176885 /nfs/dbraw/zinc/17/68/85/902176885.db2.gz HDUCHGXTJWIKJY-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491118351 903381710 /nfs/dbraw/zinc/38/17/10/903381710.db2.gz OVMMETCUNFJWRK-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC)CC1 ZINC001282242531 904440818 /nfs/dbraw/zinc/44/08/18/904440818.db2.gz RTPAIBZVAQAJDZ-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001284416669 905282305 /nfs/dbraw/zinc/28/23/05/905282305.db2.gz OMMFBDFEERKAOZ-CYBMUJFWSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001284515210 905349933 /nfs/dbraw/zinc/34/99/33/905349933.db2.gz BFRLEHQLSHLDHY-GJZGRUSLSA-N 2 0 295.427 0.103 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001491602282 907439353 /nfs/dbraw/zinc/43/93/53/907439353.db2.gz OJUFOISNZCJHPT-ZIAGYGMSSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCN2CCOCC2)C1 ZINC001317359747 908180206 /nfs/dbraw/zinc/18/02/06/908180206.db2.gz OVLFANNTJBJQRU-HUUCEWRRSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478831 908481580 /nfs/dbraw/zinc/48/15/80/908481580.db2.gz YQJIHLDGMDRLSM-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001316869372 908659627 /nfs/dbraw/zinc/65/96/27/908659627.db2.gz HDQGYRQMWGLILM-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138748 909011333 /nfs/dbraw/zinc/01/13/33/909011333.db2.gz VWTRTQIOPKBQPR-HNNXBMFYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317157260 909017631 /nfs/dbraw/zinc/01/76/31/909017631.db2.gz IBQXQISAVMOCNX-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001317643110 909438064 /nfs/dbraw/zinc/43/80/64/909438064.db2.gz DPBYAZOQHPNCLZ-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319207181 910036944 /nfs/dbraw/zinc/03/69/44/910036944.db2.gz HGBABXJQWJBLPG-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001320262714 910565022 /nfs/dbraw/zinc/56/50/22/910565022.db2.gz YLHXUWRUFKIZBD-OAHLLOKOSA-N 2 0 295.427 0.341 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320770149 910856799 /nfs/dbraw/zinc/85/67/99/910856799.db2.gz WCLNLXWHRMQVJY-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001321875074 911546483 /nfs/dbraw/zinc/54/64/83/911546483.db2.gz DAWGMFNXOLLQFK-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001492878340 914978774 /nfs/dbraw/zinc/97/87/74/914978774.db2.gz INBHKBUHBDWAAG-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329516615 915981487 /nfs/dbraw/zinc/98/14/87/915981487.db2.gz REFIQSWNPKUVFZ-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330425840 916622852 /nfs/dbraw/zinc/62/28/52/916622852.db2.gz GFLZUPDIUIVSJD-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001330423481 916625264 /nfs/dbraw/zinc/62/52/64/916625264.db2.gz HCOWVLFAIDOETF-UONOGXRCSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331560403 917417179 /nfs/dbraw/zinc/41/71/79/917417179.db2.gz KQVBFPWKARRNDK-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001333075613 918639708 /nfs/dbraw/zinc/63/97/08/918639708.db2.gz NZBFEOSUKYWKSX-JXQTWKCFSA-N 2 0 283.391 0.879 20 30 CCEDRP C=CCONC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001336111853 920613168 /nfs/dbraw/zinc/61/31/68/920613168.db2.gz YOHLMUFUBFZNLW-OKILXGFUSA-N 2 0 294.399 0.714 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC[NH2+]1 ZINC001341152684 922358538 /nfs/dbraw/zinc/35/85/38/922358538.db2.gz FXHBLZZEQGPNLF-GZBFAFLISA-N 2 0 263.385 0.753 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001342274417 922890172 /nfs/dbraw/zinc/89/01/72/922890172.db2.gz HDBHIADPNJOJCM-YPMHNXCESA-N 2 0 250.346 0.362 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[C@H]1CCC[NH2+]CC1 ZINC001342886466 923123050 /nfs/dbraw/zinc/12/30/50/923123050.db2.gz IHAKQCNFXKMIGZ-AWEZNQCLSA-N 2 0 277.412 0.885 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001343507983 923355068 /nfs/dbraw/zinc/35/50/68/923355068.db2.gz IYNLFNRDOHZZPC-KGLIPLIRSA-N 2 0 280.416 0.176 20 30 CCEDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600738264 362050702 /nfs/dbraw/zinc/05/07/02/362050702.db2.gz FZVAMSCIGABMTI-OAHLLOKOSA-N 2 0 294.443 0.657 20 30 CCEDRP N#CCCN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000601332787 362230115 /nfs/dbraw/zinc/23/01/15/362230115.db2.gz NWICWXBFBAAJKK-CQSZACIVSA-N 2 0 250.390 0.907 20 30 CCEDRP C[C@H]1C[C@@H](C[NH+]2CCN(CCC#N)CC2)CC[NH2+]1 ZINC000602022192 362461209 /nfs/dbraw/zinc/46/12/09/362461209.db2.gz RGKLHDKHHNIVRE-KBPBESRZSA-N 2 0 250.390 0.906 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602657924 362735512 /nfs/dbraw/zinc/73/55/12/362735512.db2.gz UHZIEYHMYAAUOP-UHFFFAOYSA-N 2 0 275.400 0.878 20 30 CCEDRP C[NH+](C)CCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000066664790 348753074 /nfs/dbraw/zinc/75/30/74/348753074.db2.gz UODMTHBWWXAHBC-UHFFFAOYSA-N 2 0 252.362 0.290 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000081355634 349259418 /nfs/dbraw/zinc/25/94/18/349259418.db2.gz QAKYGTOQKJKOIS-UHFFFAOYSA-N 2 0 294.443 0.391 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000573795725 358999672 /nfs/dbraw/zinc/99/96/72/358999672.db2.gz USYYHXFQPJYXTG-OAHLLOKOSA-N 2 0 282.432 0.514 20 30 CCEDRP C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+]1CCCC1 ZINC000591729137 359648704 /nfs/dbraw/zinc/64/87/04/359648704.db2.gz PRDQIBOCUBGEHN-HUUCEWRRSA-N 2 0 282.432 0.514 20 30 CCEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592153754 359771898 /nfs/dbraw/zinc/77/18/98/359771898.db2.gz OIBNPZKFKJTANJ-INIZCTEOSA-N 2 0 294.443 0.753 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]1 ZINC000592245430 359804411 /nfs/dbraw/zinc/80/44/11/359804411.db2.gz IOUPUHXHQRENKV-VXGBXAGGSA-N 2 0 252.362 0.464 20 30 CCEDRP CC[C@@H](C#N)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000593450852 360091028 /nfs/dbraw/zinc/09/10/28/360091028.db2.gz PFJLXIZJARSSRW-LBPRGKRZSA-N 2 0 254.378 0.488 20 30 CCEDRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438562 360306952 /nfs/dbraw/zinc/30/69/52/360306952.db2.gz OJZYLBMTEXWXPK-STQMWFEESA-N 2 0 282.388 0.235 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000594439375 360308646 /nfs/dbraw/zinc/30/86/46/360308646.db2.gz QCZNDBNOYXOHIC-GXTWGEPZSA-N 2 0 264.373 0.610 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594439663 360309024 /nfs/dbraw/zinc/30/90/24/360309024.db2.gz YKADELNMPGKJQY-AAEUAGOBSA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000594449742 360314815 /nfs/dbraw/zinc/31/48/15/360314815.db2.gz MQAZTDDZSORTEE-GRYCIOLGSA-N 2 0 252.362 0.784 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598668729 361477190 /nfs/dbraw/zinc/47/71/90/361477190.db2.gz ZIKTXHXBWOINDD-GMXVVIOVSA-N 2 0 250.346 0.347 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145354 800494871 /nfs/dbraw/zinc/49/48/71/800494871.db2.gz BBPKECXZHASEQE-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP N#CCCOCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000338913212 389118464 /nfs/dbraw/zinc/11/84/64/389118464.db2.gz PABWTYJHSWNFBY-UHFFFAOYSA-N 2 0 281.400 0.961 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000329801954 389203275 /nfs/dbraw/zinc/20/32/75/389203275.db2.gz JZLXUHATRLLHLM-XBFCOCLRSA-N 2 0 296.415 0.303 20 30 CCEDRP CNC(NCCc1ccc(OCC[NH+](C)C)cc1)=[NH+]C ZINC000264232982 389314522 /nfs/dbraw/zinc/31/45/22/389314522.db2.gz CPYGSKZPJPLREP-UHFFFAOYSA-N 2 0 278.400 0.964 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)NC1CC[NH+](C(C)C)CC1 ZINC000262210255 389282939 /nfs/dbraw/zinc/28/29/39/389282939.db2.gz JTLCJDDXFGFEDM-UHFFFAOYSA-N 2 0 292.431 0.958 20 30 CCEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1CCC[N@@H+]1C ZINC000262805865 389295953 /nfs/dbraw/zinc/29/59/53/389295953.db2.gz NLZGXLUPWVVIPB-CYBMUJFWSA-N 2 0 292.431 0.796 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000417529535 389826858 /nfs/dbraw/zinc/82/68/58/389826858.db2.gz PXSAVOYPHWHEHM-LBPRGKRZSA-N 2 0 268.405 0.792 20 30 CCEDRP C#CCN(C)CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000491454574 390113611 /nfs/dbraw/zinc/11/36/11/390113611.db2.gz ZUYWPLKCHJXHBL-OAGGEKHMSA-N 2 0 297.443 0.001 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000491737989 390116392 /nfs/dbraw/zinc/11/63/92/390116392.db2.gz OOQPVIHWPYMDAN-UHFFFAOYSA-N 2 0 296.484 0.747 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346910 412032906 /nfs/dbraw/zinc/03/29/06/412032906.db2.gz LGPPFDPTKBADHJ-BYNSBNAKSA-N 2 0 295.427 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662407112 414715371 /nfs/dbraw/zinc/71/53/71/414715371.db2.gz SKFSBLYEGFBBHI-OCCSQVGLSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000662944989 414908648 /nfs/dbraw/zinc/90/86/48/414908648.db2.gz FJFHLYFFIBWWHW-WZRBSPASSA-N 2 0 255.337 0.582 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252882509 264319479 /nfs/dbraw/zinc/31/94/79/264319479.db2.gz ZNEPSNUOLSUNRR-CYDGBPFRSA-N 2 0 251.374 0.736 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000584294056 327224464 /nfs/dbraw/zinc/22/44/64/327224464.db2.gz AVWBDMMFOUTBEP-CQSZACIVSA-N 2 0 251.374 0.895 20 30 CCEDRP C[C@]1(CO)CCC[NH+]1CC#CC[N@H+]1CCC[C@]1(C)CO ZINC000560162190 327287797 /nfs/dbraw/zinc/28/77/97/327287797.db2.gz NOSDWTPMFCVMNG-HZPDHXFCSA-N 2 0 280.412 0.683 20 30 CCEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000178990922 329203632 /nfs/dbraw/zinc/20/36/32/329203632.db2.gz DJRZWVRAGZADCK-CYBMUJFWSA-N 2 0 289.383 0.422 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000179197657 329206062 /nfs/dbraw/zinc/20/60/62/329206062.db2.gz VPAPMGRVJZPMCT-HNNXBMFYSA-N 2 0 280.416 0.770 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000262503265 330018361 /nfs/dbraw/zinc/01/83/61/330018361.db2.gz ATGZVFYNLOMVKM-UPJWGTAASA-N 2 0 268.405 0.536 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262675210 330026049 /nfs/dbraw/zinc/02/60/49/330026049.db2.gz SXCRUQOASVEILJ-RYUDHWBXSA-N 2 0 254.378 0.281 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262675209 330026113 /nfs/dbraw/zinc/02/61/13/330026113.db2.gz SXCRUQOASVEILJ-NWDGAFQWSA-N 2 0 254.378 0.281 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)CCC1 ZINC000262795309 330032063 /nfs/dbraw/zinc/03/20/63/330032063.db2.gz PECRFXNOJOMKDL-LLVKDONJSA-N 2 0 254.378 0.554 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000262798706 330032320 /nfs/dbraw/zinc/03/23/20/330032320.db2.gz QIKQCCCZTHUGBZ-ZDUSSCGKSA-N 2 0 297.447 0.048 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)N1CCCC1 ZINC000263275303 330051419 /nfs/dbraw/zinc/05/14/19/330051419.db2.gz YDMSVFZMCCRUDC-CYBMUJFWSA-N 2 0 268.405 0.768 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424135254 330269462 /nfs/dbraw/zinc/26/94/62/330269462.db2.gz OPMKJAGRWMGITF-NEPJUHHUSA-N 2 0 252.362 0.464 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424141606 330283314 /nfs/dbraw/zinc/28/33/14/330283314.db2.gz GQWDAMQXAHYJGJ-RTXFEEFZSA-N 2 0 264.373 0.606 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1C[C@H](C)O ZINC000424149225 330295742 /nfs/dbraw/zinc/29/57/42/330295742.db2.gz VYJRFEBHPIIWSV-BFHYXJOUSA-N 2 0 296.415 0.311 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000424152649 330298255 /nfs/dbraw/zinc/29/82/55/330298255.db2.gz JSFCAYRDHAXFQM-UONOGXRCSA-N 2 0 278.400 0.998 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@]1(C)C[NH3+] ZINC000424194843 330324480 /nfs/dbraw/zinc/32/44/80/330324480.db2.gz MEDKDRWLIRDPGY-NTZNESFSSA-N 2 0 252.362 0.451 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000490679655 332103171 /nfs/dbraw/zinc/10/31/71/332103171.db2.gz UDPQZMRUYGMLDB-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000490715615 332108069 /nfs/dbraw/zinc/10/80/69/332108069.db2.gz XYRFGZOTDVHMGO-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000491698181 332293402 /nfs/dbraw/zinc/29/34/02/332293402.db2.gz LVRRYAUWIDCZDQ-UONOGXRCSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000491728924 332311654 /nfs/dbraw/zinc/31/16/54/332311654.db2.gz DPFOEWJKEZMQKS-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000491777895 332343016 /nfs/dbraw/zinc/34/30/16/332343016.db2.gz GQJULSOKGNINIP-UHFFFAOYSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000491780645 332344930 /nfs/dbraw/zinc/34/49/30/332344930.db2.gz FDVVWYRKFPFAAP-KBPBESRZSA-N 2 0 280.416 0.758 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(C#N)c1 ZINC000543709155 333890112 /nfs/dbraw/zinc/89/01/12/333890112.db2.gz IZSHRGDYKVXOEB-UHFFFAOYSA-N 2 0 277.372 0.452 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+](C)C)CC1 ZINC000080393045 334171145 /nfs/dbraw/zinc/17/11/45/334171145.db2.gz ZZPONLCSTZWCNO-UHFFFAOYSA-N 2 0 251.374 0.352 20 30 CCEDRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000578497979 335641173 /nfs/dbraw/zinc/64/11/73/335641173.db2.gz TZKNEPIDASPQCK-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000791380398 581219022 /nfs/dbraw/zinc/21/90/22/581219022.db2.gz QCKFBAGMQFRKLY-AWEZNQCLSA-N 2 0 281.400 0.285 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000730282138 581690749 /nfs/dbraw/zinc/69/07/49/581690749.db2.gz GSLAJAMHEYSIJH-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000742238142 581775470 /nfs/dbraw/zinc/77/54/70/581775470.db2.gz VJUALMBXAYJOAK-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000764376193 582043772 /nfs/dbraw/zinc/04/37/72/582043772.db2.gz IXUVSUAEYUQBSP-LBPRGKRZSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000764470371 582049437 /nfs/dbraw/zinc/04/94/37/582049437.db2.gz ICNMPYFGMPHFHV-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131380 612950288 /nfs/dbraw/zinc/95/02/88/612950288.db2.gz WKESPUVAILTIAV-KBPBESRZSA-N 2 0 286.379 0.730 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000911667408 612956825 /nfs/dbraw/zinc/95/68/25/612956825.db2.gz QLNNAXRCVSJQNA-LBPRGKRZSA-N 2 0 261.325 0.034 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979066623 613041831 /nfs/dbraw/zinc/04/18/31/613041831.db2.gz AMCRSURSNLUNEA-ZQDZILKHSA-N 2 0 275.396 0.255 20 30 CCEDRP C#CCN(C(=O)NC1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000913882373 613066727 /nfs/dbraw/zinc/06/67/27/613066727.db2.gz XVYPICSSHCHNMW-UHFFFAOYSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841910398 613076477 /nfs/dbraw/zinc/07/64/77/613076477.db2.gz POFWPYKBUYQXRX-CYBMUJFWSA-N 2 0 266.389 0.383 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000969799350 613117607 /nfs/dbraw/zinc/11/76/07/613117607.db2.gz WBJUVJYXXBADAN-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000855639025 613128549 /nfs/dbraw/zinc/12/85/49/613128549.db2.gz BMQUOMWOIAQQOK-UHFFFAOYSA-N 2 0 263.385 0.352 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC3CC3)C2)CC1 ZINC000970792539 613129006 /nfs/dbraw/zinc/12/90/06/613129006.db2.gz NGXWRECFUGQIKZ-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000827330689 613129505 /nfs/dbraw/zinc/12/95/05/613129505.db2.gz QSESBLHQZVKTEX-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000918894277 613134693 /nfs/dbraw/zinc/13/46/93/613134693.db2.gz 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RGOCITBGPJYZCG-CYBMUJFWSA-N 2 0 251.374 0.623 20 30 CCEDRP CC[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876508944 615085859 /nfs/dbraw/zinc/08/58/59/615085859.db2.gz CGSNVZBXHDTZMC-OAHLLOKOSA-N 2 0 286.379 0.861 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000104169034 615144340 /nfs/dbraw/zinc/14/43/40/615144340.db2.gz OYWHIPQXAABXAC-ZDUSSCGKSA-N 2 0 295.431 0.388 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1C[NH+](C)C ZINC000866011520 615931283 /nfs/dbraw/zinc/93/12/83/615931283.db2.gz GJLBTOLUNWLIRM-CHWSQXEVSA-N 2 0 288.399 0.524 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899909644 616177065 /nfs/dbraw/zinc/17/70/65/616177065.db2.gz FZWQKKFOQUORNW-CQSZACIVSA-N 2 0 280.416 0.363 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001022198052 624891991 /nfs/dbraw/zinc/89/19/91/624891991.db2.gz DNRKVCSKNNNQFC-KFWWJZLASA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001022321016 624923457 /nfs/dbraw/zinc/92/34/57/624923457.db2.gz DBMAZDKJKXNOIX-UPJWGTAASA-N 2 0 286.379 0.693 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001027465279 625897124 /nfs/dbraw/zinc/89/71/24/625897124.db2.gz UFEDDMAOOSJBHO-RBSFLKMASA-N 2 0 295.427 0.814 20 30 CCEDRP N#C[C@H]1CCCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000903564257 634608529 /nfs/dbraw/zinc/60/85/29/634608529.db2.gz SCNGFCCPLBMFTI-GFCCVEGCSA-N 2 0 250.346 0.044 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681741 630851917 /nfs/dbraw/zinc/85/19/17/630851917.db2.gz BWVMCEREJPGFIJ-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP CC[C@H](C)NC(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303892404 632493505 /nfs/dbraw/zinc/49/35/05/632493505.db2.gz REBOARGNQJKSRQ-STQMWFEESA-N 2 0 297.447 0.680 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987127892 632825757 /nfs/dbraw/zinc/82/57/57/632825757.db2.gz ZTJPKSVNDPIMCV-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000989605263 633335624 /nfs/dbraw/zinc/33/56/24/633335624.db2.gz JWAJILYRKFCISV-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009526750 650147271 /nfs/dbraw/zinc/14/72/71/650147271.db2.gz FQYNZABWSXUTKD-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP C[C@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCCCCC1 ZINC000913518948 636834458 /nfs/dbraw/zinc/83/44/58/636834458.db2.gz HRJYVJSRDJYZCJ-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP COCCNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181378181 638353634 /nfs/dbraw/zinc/35/36/34/638353634.db2.gz FELLOYBYMCIKOI-GFCCVEGCSA-N 2 0 256.394 0.802 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000997308922 638862658 /nfs/dbraw/zinc/86/26/58/638862658.db2.gz IVFVTGYKXKDIJN-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000997832780 638885687 /nfs/dbraw/zinc/88/56/87/638885687.db2.gz UJDDFWQWZHGLPO-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014501295 650456827 /nfs/dbraw/zinc/45/68/27/650456827.db2.gz IXAIINJIYDNVIB-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000522402 639108622 /nfs/dbraw/zinc/10/86/22/639108622.db2.gz QZHYJZHCUOIXHY-OAHLLOKOSA-N 2 0 275.396 0.852 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000688573 639152721 /nfs/dbraw/zinc/15/27/21/639152721.db2.gz KRWRPNXWJQJRAP-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001833247 639343106 /nfs/dbraw/zinc/34/31/06/639343106.db2.gz JYABQUOIFMCBMF-DZGCQCFKSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832910 639466051 /nfs/dbraw/zinc/46/60/51/639466051.db2.gz NEWNWAVAVNKZGC-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001016335201 639466264 /nfs/dbraw/zinc/46/62/64/639466264.db2.gz BPIMCQILRXWJOV-OAHLLOKOSA-N 2 0 295.402 0.882 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003982868 639662238 /nfs/dbraw/zinc/66/22/38/639662238.db2.gz DAQXLMNQXVNESW-UHFFFAOYSA-N 2 0 275.396 0.686 20 30 CCEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCN(C(C)=O)CC1 ZINC000086804656 639942646 /nfs/dbraw/zinc/94/26/46/639942646.db2.gz DQCQKRYGUUYEHX-UHFFFAOYSA-N 2 0 297.447 0.504 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006002508 640061654 /nfs/dbraw/zinc/06/16/54/640061654.db2.gz XWQGQZGVKDNAJR-DZGCQCFKSA-N 2 0 277.412 0.740 20 30 CCEDRP N#Cc1ccc(CNC(C[NH3+])C[NH3+])c(C(F)(F)F)c1 ZINC000923359223 640101917 /nfs/dbraw/zinc/10/19/17/640101917.db2.gz OGBPOTJHXLWIQH-UHFFFAOYSA-N 2 0 272.274 0.953 20 30 CCEDRP C[C@@H]1CN(C)CC1=NNCCCN1CCOCC1 ZINC000799486738 640575820 /nfs/dbraw/zinc/57/58/20/640575820.db2.gz NCIINBLSROJBOQ-GFCCVEGCSA-N 2 0 254.378 0.236 20 30 CCEDRP C#C[C@@H](C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000820446720 641507201 /nfs/dbraw/zinc/50/72/01/641507201.db2.gz OICGRQXDCWVSHB-CQSZACIVSA-N 2 0 282.432 0.923 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001016333639 650719706 /nfs/dbraw/zinc/71/97/06/650719706.db2.gz YEYNPKCZVIABPW-INIZCTEOSA-N 2 0 287.407 0.545 20 30 CCEDRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485433 642576258 /nfs/dbraw/zinc/57/62/58/642576258.db2.gz XAWFGYNDWPHURA-DRZSPHRISA-N 2 0 258.325 0.223 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000841849812 642842975 /nfs/dbraw/zinc/84/29/75/642842975.db2.gz LRORCPAKEBAGFR-NWDGAFQWSA-N 2 0 264.373 0.513 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000841849587 642843085 /nfs/dbraw/zinc/84/30/85/642843085.db2.gz BZWFSKQDXYEMPP-XPKDYRNWSA-N 2 0 284.363 0.145 20 30 CCEDRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852798353 644002819 /nfs/dbraw/zinc/00/28/19/644002819.db2.gz IUTVRTOCCCYPNM-UONOGXRCSA-N 2 0 263.385 0.623 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000852875390 644036337 /nfs/dbraw/zinc/03/63/37/644036337.db2.gz JDUBPUFCCYXNPF-HNNXBMFYSA-N 2 0 261.369 0.201 20 30 CCEDRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@@H]21 ZINC000852874811 644036724 /nfs/dbraw/zinc/03/67/24/644036724.db2.gz CGZIQVNPOSJBFB-QLFBSQMISA-N 2 0 275.396 0.575 20 30 CCEDRP C[C@H](CCCC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852881769 644040703 /nfs/dbraw/zinc/04/07/03/644040703.db2.gz PMRTWLGGVRUYOJ-GFCCVEGCSA-N 2 0 251.374 0.623 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852891847 644046142 /nfs/dbraw/zinc/04/61/42/644046142.db2.gz ZIFZVESWILDXJP-JKSUJKDBSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000852892082 644046293 /nfs/dbraw/zinc/04/62/93/644046293.db2.gz GMDXCHZSFBOAKZ-OAHLLOKOSA-N 2 0 261.369 0.344 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018835632 650915074 /nfs/dbraw/zinc/91/50/74/650915074.db2.gz LLDZOJJZWREJNE-KBPBESRZSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019076024 650936265 /nfs/dbraw/zinc/93/62/65/650936265.db2.gz IBWUOGRKDCCGBL-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876517484 646617988 /nfs/dbraw/zinc/61/79/88/646617988.db2.gz SSTZDPSWVIRNOJ-IUODEOHRSA-N 2 0 284.363 0.552 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877006310 646715260 /nfs/dbraw/zinc/71/52/60/646715260.db2.gz ZXMPDDFYFVSBFM-ZDUSSCGKSA-N 2 0 261.369 0.390 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387738 646808928 /nfs/dbraw/zinc/80/89/28/646808928.db2.gz QNJJUCBZWPRNFA-GVXVVHGQSA-N 2 0 250.346 0.408 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006410405 647990502 /nfs/dbraw/zinc/99/05/02/647990502.db2.gz KBLVYNZNTQWOGR-ZDUSSCGKSA-N 2 0 263.385 0.494 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCC(F)F ZINC000189575644 649378699 /nfs/dbraw/zinc/37/86/99/649378699.db2.gz RVYZSDHBBHTCNQ-SNVBAGLBSA-N 2 0 278.347 0.657 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)COC ZINC000245930148 649659497 /nfs/dbraw/zinc/65/94/97/649659497.db2.gz YPVFGJZDXZWYAX-RYUDHWBXSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303379869 649817337 /nfs/dbraw/zinc/81/73/37/649817337.db2.gz QMJFWPDCSIMOGG-CHWSQXEVSA-N 2 0 269.437 0.573 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000303369489 649817587 /nfs/dbraw/zinc/81/75/87/649817587.db2.gz JQGXLXFSYREVGB-ZIAGYGMSSA-N 2 0 283.464 0.963 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC(C)C)CC1 ZINC000303876764 649825950 /nfs/dbraw/zinc/82/59/50/649825950.db2.gz IISZFQYGMYIOFD-ZDUSSCGKSA-N 2 0 269.437 0.573 20 30 CCEDRP CC[C@@H](C)NC(=O)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303892395 649826512 /nfs/dbraw/zinc/82/65/12/649826512.db2.gz REBOARGNQJKSRQ-CHWSQXEVSA-N 2 0 297.447 0.680 20 30 CCEDRP CC[C@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+]1CCCC1 ZINC000303897251 649826659 /nfs/dbraw/zinc/82/66/59/649826659.db2.gz QJRIJCAXGXOKFN-NWDGAFQWSA-N 2 0 256.394 0.800 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303898849 649826665 /nfs/dbraw/zinc/82/66/65/649826665.db2.gz RHHWAKORGMJONV-UHFFFAOYSA-N 2 0 256.394 0.659 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)N1CC[NH+](C)CC1 ZINC000303987495 649828008 /nfs/dbraw/zinc/82/80/08/649828008.db2.gz VNGOKERZXUFGTM-CYBMUJFWSA-N 2 0 267.421 0.423 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000305001094 649840613 /nfs/dbraw/zinc/84/06/13/649840613.db2.gz HGAAUXNTFCXVCU-CYBMUJFWSA-N 2 0 268.405 0.611 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001020381636 651065337 /nfs/dbraw/zinc/06/53/37/651065337.db2.gz RYPCBNPLNQDVDI-JOCQHMNTSA-N 2 0 295.346 0.751 20 30 CCEDRP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266313059 790490075 /nfs/dbraw/zinc/49/00/75/790490075.db2.gz FKKLOAYLKYGVLC-GJZGRUSLSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266326638 790512779 /nfs/dbraw/zinc/51/27/79/790512779.db2.gz GQOPZJORMJCJIY-HNNXBMFYSA-N 2 0 283.391 0.880 20 30 CCEDRP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001266437806 790702386 /nfs/dbraw/zinc/70/23/86/790702386.db2.gz MPBQELZOHDEPHP-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266805061 791248424 /nfs/dbraw/zinc/24/84/24/791248424.db2.gz UGTCTIHPWWGDER-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001277845292 806219477 /nfs/dbraw/zinc/21/94/77/806219477.db2.gz LVIZBCYYJLHUJM-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@@H]2C1 ZINC001277942796 806415736 /nfs/dbraw/zinc/41/57/36/806415736.db2.gz DTULKMVICJQVRP-CHWSQXEVSA-N 2 0 276.384 0.432 20 30 CCEDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCCC#N)C[C@@H]21 ZINC001277945332 806424609 /nfs/dbraw/zinc/42/46/09/806424609.db2.gz WTEXOHZKUHQNPR-KBPBESRZSA-N 2 0 266.389 0.237 20 30 CCEDRP C=CC[NH2+]CCN(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001236924962 806619823 /nfs/dbraw/zinc/61/98/23/806619823.db2.gz UMVGDUCCXZIIQK-CQSZACIVSA-N 3 0 254.422 0.378 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001122002244 799118932 /nfs/dbraw/zinc/11/89/32/799118932.db2.gz BLLQBHFSDNLGQD-AWEZNQCLSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001278165161 806737154 /nfs/dbraw/zinc/73/71/54/806737154.db2.gz UIVHQAIPBFCWOO-GJZGRUSLSA-N 2 0 295.427 0.339 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202857209 799748031 /nfs/dbraw/zinc/74/80/31/799748031.db2.gz PKPDWXQKYUMFOE-STQMWFEESA-N 2 0 286.379 0.993 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149886824 800305120 /nfs/dbraw/zinc/30/51/20/800305120.db2.gz CHARQEODARYLFG-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471518 800527004 /nfs/dbraw/zinc/52/70/04/800527004.db2.gz LVXNQIHLZPBRIQ-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255225 800940701 /nfs/dbraw/zinc/94/07/01/800940701.db2.gz NXXFXFUHSDGVFS-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP Cc1nc(C#N)cc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)n1 ZINC001155381597 800962768 /nfs/dbraw/zinc/96/27/68/800962768.db2.gz GWWSNCHGOKJPNM-AWEZNQCLSA-N 2 0 286.383 0.516 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427773 801938624 /nfs/dbraw/zinc/93/86/24/801938624.db2.gz SWDMJKVUKNGCRN-AWEZNQCLSA-N 2 0 285.432 0.871 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C#N)nc(C)n1 ZINC001163130108 802489132 /nfs/dbraw/zinc/48/91/32/802489132.db2.gz VNWHWVNPSXLDHJ-UHFFFAOYSA-N 2 0 275.360 0.935 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576280 803036384 /nfs/dbraw/zinc/03/63/84/803036384.db2.gz BTBUNIVKQGHHOU-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP N#Cc1ccc2c(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c[nH]c2c1 ZINC001206525527 803259503 /nfs/dbraw/zinc/25/95/03/803259503.db2.gz SFMCLYMINNSIOF-NHYWBVRUSA-N 2 0 270.336 0.791 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CCN(CC[NH+](C)C)CC1 ZINC001208129847 803493901 /nfs/dbraw/zinc/49/39/01/803493901.db2.gz KDJCOVXOBWCHGT-UHFFFAOYSA-N 2 0 280.460 0.840 20 30 CCEDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001208414178 803513353 /nfs/dbraw/zinc/51/33/53/803513353.db2.gz JHADYWSRPSMBDE-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494391 803518533 /nfs/dbraw/zinc/51/85/33/803518533.db2.gz SNOIDYQYTQHQQI-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314740 803647788 /nfs/dbraw/zinc/64/77/88/803647788.db2.gz DPVZQGMSYRRJBE-CHWSQXEVSA-N 2 0 269.389 0.187 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674564 803657101 /nfs/dbraw/zinc/65/71/01/803657101.db2.gz ZEBSEGBNMSCPOF-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210674561 803657278 /nfs/dbraw/zinc/65/72/78/803657278.db2.gz ZEBSEGBNMSCPOF-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399795 803692699 /nfs/dbraw/zinc/69/26/99/803692699.db2.gz LHZDYWHXFAQFGJ-RBSFLKMASA-N 2 0 295.427 0.411 20 30 CCEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])s1 ZINC001218555699 804002874 /nfs/dbraw/zinc/00/28/74/804002874.db2.gz RVDCBEOESZHPOD-VIFPVBQESA-N 2 0 252.343 0.933 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218623847 804041454 /nfs/dbraw/zinc/04/14/54/804041454.db2.gz CDXRVXSLAXIANK-JTQLQIEISA-N 2 0 293.396 0.309 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218658488 804069049 /nfs/dbraw/zinc/06/90/49/804069049.db2.gz DYHGGWXYQXBHGY-LLVKDONJSA-N 2 0 271.324 0.009 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccc(C#N)cc1O ZINC001218988704 804176483 /nfs/dbraw/zinc/17/64/83/804176483.db2.gz KRRHKDHEOOGDAN-LBPRGKRZSA-N 2 0 276.340 0.919 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C#N)c1 ZINC001219393876 804299057 /nfs/dbraw/zinc/29/90/57/804299057.db2.gz TZTJYKDBDLWEQG-NSHDSACASA-N 2 0 289.364 0.388 20 30 CCEDRP N#C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001219558126 804347889 /nfs/dbraw/zinc/34/78/89/804347889.db2.gz KKMPYKJNOFTNSE-QWHCGFSZSA-N 2 0 270.336 0.176 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC1(C#N)CCC1 ZINC001219632553 804383077 /nfs/dbraw/zinc/38/30/77/804383077.db2.gz OVHOFUWBMGGOMX-NSHDSACASA-N 2 0 252.362 0.513 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)NC2CC3(C2)CC[NH2+]CC3)C1 ZINC001219777533 804421830 /nfs/dbraw/zinc/42/18/30/804421830.db2.gz LDFHSSXDUGVDJL-AWEZNQCLSA-N 2 0 263.385 0.943 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345201 804580445 /nfs/dbraw/zinc/58/04/45/804580445.db2.gz REWKTVQXLUNMFU-KFWWJZLASA-N 2 0 295.427 0.291 20 30 CCEDRP C#Cc1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001220382519 804589541 /nfs/dbraw/zinc/58/95/41/804589541.db2.gz ZEADKSAHGUFHIG-ZDUSSCGKSA-N 2 0 277.393 0.303 20 30 CCEDRP C=C[C@@H](CO)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220393381 804594483 /nfs/dbraw/zinc/59/44/83/804594483.db2.gz UGCUHUWJWIEBOF-RYUDHWBXSA-N 2 0 257.378 0.145 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001220413842 804598721 /nfs/dbraw/zinc/59/87/21/804598721.db2.gz QYDMYDKHAVCYHX-BDJLRTHQSA-N 2 0 291.395 0.575 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1F ZINC001220449256 804607020 /nfs/dbraw/zinc/60/70/20/804607020.db2.gz QTQNCWMQVQDPEE-LBPRGKRZSA-N 2 0 296.371 0.333 20 30 CCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246070 804758256 /nfs/dbraw/zinc/75/82/56/804758256.db2.gz OBWOKCYNRUDOBO-BPLDGKMQSA-N 2 0 263.385 0.928 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221292500 804768278 /nfs/dbraw/zinc/76/82/78/804768278.db2.gz NEPSHYCLJGTETM-WCQYABFASA-N 2 0 264.373 0.240 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223839018 804995436 /nfs/dbraw/zinc/99/54/36/804995436.db2.gz OUPHAIUGMIVOEF-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224325791 805027338 /nfs/dbraw/zinc/02/73/38/805027338.db2.gz IBQSJOKTLBKNGF-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001277094242 805187930 /nfs/dbraw/zinc/18/79/30/805187930.db2.gz PEDJZOYRMDOPLX-UONOGXRCSA-N 2 0 275.396 0.875 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001277299315 805445131 /nfs/dbraw/zinc/44/51/31/805445131.db2.gz PWGCAVDHQGTOMV-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278399187 807066617 /nfs/dbraw/zinc/06/66/17/807066617.db2.gz VEWYHKIIWQLMSB-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246278999 807206220 /nfs/dbraw/zinc/20/62/20/807206220.db2.gz CXUXHWSVEOLPMZ-JTQLQIEISA-N 2 0 262.382 0.803 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001251634708 807690110 /nfs/dbraw/zinc/69/01/10/807690110.db2.gz IFAVMPJAFKDHEG-MGPQQGTHSA-N 2 0 278.400 0.191 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1CC[C@@H]([NH+](C)C)CC1 ZINC001251903809 807743107 /nfs/dbraw/zinc/74/31/07/807743107.db2.gz PELLPFQKIOZVMC-MJBXVCDLSA-N 2 0 254.374 0.460 20 30 CCEDRP CC(C)(C)[NH2+]C[C@@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001253407804 808061539 /nfs/dbraw/zinc/06/15/39/808061539.db2.gz QBADNBDFCJJZCY-LBPRGKRZSA-N 2 0 292.383 0.240 20 30 CCEDRP CC(C)[N@H+](C)CCNC(=O)NCC#CC[NH+](C)C ZINC001256579603 808535909 /nfs/dbraw/zinc/53/59/09/808535909.db2.gz MRXMTXJLFIEFEU-UHFFFAOYSA-N 2 0 254.378 0.191 20 30 CCEDRP CC1(C)[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]2CCC[NH2+][C@H]21 ZINC001262038817 809169672 /nfs/dbraw/zinc/16/96/72/809169672.db2.gz ALQCIUTYVHXQLW-UMSGYPCISA-N 2 0 278.400 0.900 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC001263101635 809444393 /nfs/dbraw/zinc/44/43/93/809444393.db2.gz XTPDRWGNZPGLRD-UHFFFAOYSA-N 2 0 285.391 0.425 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC2(C[NH2+]C2)CC1 ZINC001263151989 809461930 /nfs/dbraw/zinc/46/19/30/809461930.db2.gz SJBUDTCTTAMHFX-UHFFFAOYSA-N 2 0 261.369 0.201 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263878392 809597393 /nfs/dbraw/zinc/59/73/93/809597393.db2.gz WEAPASRBNCMKFQ-KKUMJFAQSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001264566798 809663307 /nfs/dbraw/zinc/66/33/07/809663307.db2.gz IFAQSNAMGYAMBN-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265478358 809789109 /nfs/dbraw/zinc/78/91/09/809789109.db2.gz AGPZMVQAWGMLSO-ZQDZILKHSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266119684 809939125 /nfs/dbraw/zinc/93/91/25/809939125.db2.gz KCADCIHFBLJBJP-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001279621036 809988487 /nfs/dbraw/zinc/98/84/87/809988487.db2.gz AWDDWMIYRMEMTN-UHFFFAOYSA-N 2 0 263.385 0.710 20 30 CCEDRP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267320625 811148778 /nfs/dbraw/zinc/14/87/78/811148778.db2.gz QDMHWALPPQAYTM-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001267320570 811151369 /nfs/dbraw/zinc/15/13/69/811151369.db2.gz OSBQJIAQYLDUOP-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267391015 811277224 /nfs/dbraw/zinc/27/72/24/811277224.db2.gz YXZFDPMEMIZRBQ-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267769899 811767518 /nfs/dbraw/zinc/76/75/18/811767518.db2.gz DWPLNZDICDSVQM-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167737562 811770370 /nfs/dbraw/zinc/77/03/70/811770370.db2.gz VHDYAOPDZSMFHG-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105011028 811806289 /nfs/dbraw/zinc/80/62/89/811806289.db2.gz HTDCOFNBGJZQNG-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267969143 811905412 /nfs/dbraw/zinc/90/54/12/811905412.db2.gz GIMDBRYYICMJFF-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268226197 812382654 /nfs/dbraw/zinc/38/26/54/812382654.db2.gz FEQYVYGVASINOW-STQMWFEESA-N 2 0 251.374 0.302 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268322775 812487986 /nfs/dbraw/zinc/48/79/86/812487986.db2.gz ZPHHSNJKKYDNMA-GJZGRUSLSA-N 2 0 297.443 0.751 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333093 812622997 /nfs/dbraw/zinc/62/29/97/812622997.db2.gz DHFAIEDATCFJSS-INIZCTEOSA-N 2 0 287.407 0.545 20 30 CCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628942 813004979 /nfs/dbraw/zinc/00/49/79/813004979.db2.gz BWZFPRPSKKMENU-MGPQQGTHSA-N 2 0 281.400 0.330 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001268747979 813063334 /nfs/dbraw/zinc/06/33/34/813063334.db2.gz WNYMNTGAMJUOQZ-CYBMUJFWSA-N 2 0 269.389 0.024 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268916171 813145256 /nfs/dbraw/zinc/14/52/56/813145256.db2.gz ZZPFKJWSPVPCTE-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001269034080 813185922 /nfs/dbraw/zinc/18/59/22/813185922.db2.gz OUXSFBIOCSVDSC-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269407580 813360090 /nfs/dbraw/zinc/36/00/90/813360090.db2.gz FVQYBUXYKGDKGU-MGPQQGTHSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC#CCOC ZINC001269460504 813379665 /nfs/dbraw/zinc/37/96/65/813379665.db2.gz ISKJXPRZXCMMQU-OAHLLOKOSA-N 2 0 295.427 0.462 20 30 CCEDRP CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001270437097 813764492 /nfs/dbraw/zinc/76/44/92/813764492.db2.gz WCJMAZITYYMBSU-ZIAGYGMSSA-N 2 0 283.416 0.318 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065605 815620505 /nfs/dbraw/zinc/62/05/05/815620505.db2.gz BVLIDNYLEZLQEB-CQSZACIVSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424871 814681388 /nfs/dbraw/zinc/68/13/88/814681388.db2.gz HVGLUNHTYNIHRI-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001272049136 814882435 /nfs/dbraw/zinc/88/24/35/814882435.db2.gz NBLQZHDBIHNVON-CYBMUJFWSA-N 2 0 253.390 0.740 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941920 816017059 /nfs/dbraw/zinc/01/70/59/816017059.db2.gz QJRISEHTRFQDQE-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322181 816740619 /nfs/dbraw/zinc/74/06/19/816740619.db2.gz NFDKMDKMDLNYNP-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981658 817567987 /nfs/dbraw/zinc/56/79/87/817567987.db2.gz YPDLHOOLUGLVGT-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001124872724 817607125 /nfs/dbraw/zinc/60/71/25/817607125.db2.gz MCDXNFCHQOYUEP-CYBMUJFWSA-N 2 0 292.408 0.920 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718254 818041636 /nfs/dbraw/zinc/04/16/36/818041636.db2.gz MZZVKWOJTFIGSI-GJZGRUSLSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032960318 818390198 /nfs/dbraw/zinc/39/01/98/818390198.db2.gz QWEGQXUAGLQDJK-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033096989 818514114 /nfs/dbraw/zinc/51/41/14/818514114.db2.gz SLPHMNBSQAOOHX-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033596280 818842575 /nfs/dbraw/zinc/84/25/75/818842575.db2.gz XMKBILYYWFPAOM-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662222 818882787 /nfs/dbraw/zinc/88/27/87/818882787.db2.gz PAEOMQKAAQMWLW-QWHCGFSZSA-N 2 0 251.374 0.657 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033786850 818935421 /nfs/dbraw/zinc/93/54/21/818935421.db2.gz ACESVRWGDYFMKT-GJZGRUSLSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCN1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034014277 819032221 /nfs/dbraw/zinc/03/22/21/819032221.db2.gz VZVWAEMZZWWGNO-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034207687 819124895 /nfs/dbraw/zinc/12/48/95/819124895.db2.gz NOWQYNCKQMFXJP-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035613910 819590216 /nfs/dbraw/zinc/59/02/16/819590216.db2.gz MKGZOPLICOZHAI-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326941 820940804 /nfs/dbraw/zinc/94/08/04/820940804.db2.gz VZFJNRAHZKTPOT-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166694890 821283122 /nfs/dbraw/zinc/28/31/22/821283122.db2.gz YIVUWVOZKLJQCB-ZIAGYGMSSA-N 2 0 283.416 0.483 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630668 821330120 /nfs/dbraw/zinc/33/01/20/821330120.db2.gz POZLNACMDRWDEH-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261995 821488872 /nfs/dbraw/zinc/48/88/72/821488872.db2.gz ZYLOTJAFUCGGPA-HUUCEWRRSA-N 2 0 293.411 0.331 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085093077 821493635 /nfs/dbraw/zinc/49/36/35/821493635.db2.gz DXGPOJVKFKWUIS-PMPSAXMXSA-N 2 0 289.423 0.884 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001273358428 821923091 /nfs/dbraw/zinc/92/30/91/821923091.db2.gz FEOAFPRSVFGERN-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100079036 822244812 /nfs/dbraw/zinc/24/48/12/822244812.db2.gz SLDLGXJTEKVFHJ-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130167585 837713274 /nfs/dbraw/zinc/71/32/74/837713274.db2.gz XKVFCXWFSOHSAV-UHFFFAOYSA-N 2 0 251.374 0.754 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130192491 837719385 /nfs/dbraw/zinc/71/93/85/837719385.db2.gz NRPDMERPLFQCSB-QWHCGFSZSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398341 835999951 /nfs/dbraw/zinc/99/99/51/835999951.db2.gz GJZHJMVFCUKYOD-INIZCTEOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710765 837899082 /nfs/dbraw/zinc/89/90/82/837899082.db2.gz DBPCYFNZDBWQDU-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCn2ccnc2)CC[C@@H]1C ZINC001132221349 838340267 /nfs/dbraw/zinc/34/02/67/838340267.db2.gz GGLAIKRTWSJQLO-KBPBESRZSA-N 2 0 274.368 0.876 20 30 CCEDRP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277059 838352307 /nfs/dbraw/zinc/35/23/07/838352307.db2.gz ANNFHPRSJIELML-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436604 838398728 /nfs/dbraw/zinc/39/87/28/838398728.db2.gz MXYRJGRSELONHQ-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cncc2C)CC[C@H]1C ZINC001132977339 838528509 /nfs/dbraw/zinc/52/85/09/838528509.db2.gz LCIYWPORVUMSLH-HIFRSBDPSA-N 2 0 288.395 0.899 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135928239 839474059 /nfs/dbraw/zinc/47/40/59/839474059.db2.gz RIZPSIWSGJISLO-ZIAGYGMSSA-N 2 0 283.416 0.461 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963346 839482131 /nfs/dbraw/zinc/48/21/31/839482131.db2.gz HIAIHJUPERSLFD-UHFFFAOYSA-N 2 0 269.389 0.379 20 30 CCEDRP N#Cc1cnc(N[C@@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170897781 839542423 /nfs/dbraw/zinc/54/24/23/839542423.db2.gz KFHUPVOCSHQWBI-SECBINFHSA-N 2 0 250.262 0.297 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246023858 839584031 /nfs/dbraw/zinc/58/40/31/839584031.db2.gz SKGAVPYRCOBZSN-KGLIPLIRSA-N 2 0 254.374 0.448 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001185789139 844459509 /nfs/dbraw/zinc/45/95/09/844459509.db2.gz SKXAOMQAPWYJMP-GJZGRUSLSA-N 2 0 288.395 0.981 20 30 CCEDRP C[C@@H](CC[NH+](C)C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001144004289 839911533 /nfs/dbraw/zinc/91/15/33/839911533.db2.gz WNICAQLOJWNWTJ-LBPRGKRZSA-N 2 0 266.389 0.678 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C(=C)C[NH+](C)C)CC1 ZINC001144417514 840041893 /nfs/dbraw/zinc/04/18/93/840041893.db2.gz APMDTHXJNUYJMX-UHFFFAOYSA-N 2 0 251.374 0.871 20 30 CCEDRP C=C(Cl)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303582 840586171 /nfs/dbraw/zinc/58/61/71/840586171.db2.gz RMMYDVVDXCNURE-UHFFFAOYSA-N 2 0 271.792 0.931 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148638989 840873595 /nfs/dbraw/zinc/87/35/95/840873595.db2.gz WNWCWYKWWUXXTC-UHFFFAOYSA-N 2 0 292.221 0.943 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC001187421215 844723177 /nfs/dbraw/zinc/72/31/77/844723177.db2.gz XVSCOXFFBAPNFZ-GFCCVEGCSA-N 2 0 260.341 0.474 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171355027 840944395 /nfs/dbraw/zinc/94/43/95/840944395.db2.gz WDNKXFKXVSEIFB-UHFFFAOYSA-N 2 0 274.368 0.880 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788059 840965191 /nfs/dbraw/zinc/96/51/91/840965191.db2.gz RGTUVUGHWTUANI-VYDXJSESSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895872 841663884 /nfs/dbraw/zinc/66/38/84/841663884.db2.gz FWJYWKVDYCGBJA-GJZGRUSLSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676329 843884382 /nfs/dbraw/zinc/88/43/82/843884382.db2.gz HKCWZPTZWYZZKM-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001187299270 844701166 /nfs/dbraw/zinc/70/11/66/844701166.db2.gz YRDFMSXBBWYTKG-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCCC[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273542772 844734469 /nfs/dbraw/zinc/73/44/69/844734469.db2.gz ZPIZGZZQFJSTOU-INIZCTEOSA-N 2 0 293.411 0.265 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001187982816 844812625 /nfs/dbraw/zinc/81/26/25/844812625.db2.gz RZKSGHHUKYYLMQ-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001187983015 844812799 /nfs/dbraw/zinc/81/27/99/844812799.db2.gz WHEOAJNJEGEXJE-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037672 846199257 /nfs/dbraw/zinc/19/92/57/846199257.db2.gz IAYFFLWBMMDKKJ-OAHLLOKOSA-N 2 0 295.427 0.818 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152148355 846403020 /nfs/dbraw/zinc/40/30/20/846403020.db2.gz ORQCBCHYTFPTLS-OKILXGFUSA-N 2 0 283.416 0.768 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196498095 846764582 /nfs/dbraw/zinc/76/45/82/846764582.db2.gz APENVKUOVYPTGJ-BFHYXJOUSA-N 2 0 292.383 0.572 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152457510 847119832 /nfs/dbraw/zinc/11/98/32/847119832.db2.gz GPDCLGDYNITTOQ-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201482513 847788384 /nfs/dbraw/zinc/78/83/84/847788384.db2.gz JEIWQRZZTALOBT-AWEZNQCLSA-N 2 0 292.383 0.735 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057164 847851995 /nfs/dbraw/zinc/85/19/95/847851995.db2.gz DMQWGPYCJIIIMS-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001275915678 848865290 /nfs/dbraw/zinc/86/52/90/848865290.db2.gz OURMKZOUSMSGCO-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276002388 848887570 /nfs/dbraw/zinc/88/75/70/848887570.db2.gz KXNCBLBQCGJTIC-CABCVRRESA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691956 850486396 /nfs/dbraw/zinc/48/63/96/850486396.db2.gz HPYMBIUYUJFEDO-GOEBONIOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046596524 851559907 /nfs/dbraw/zinc/55/99/07/851559907.db2.gz ZAOKXHKLQXSJCK-MRXNPFEDSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829492 852075598 /nfs/dbraw/zinc/07/55/98/852075598.db2.gz PMHAJSFFFSIGKK-APIJFGDWSA-N 2 0 275.396 0.350 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058487 852149425 /nfs/dbraw/zinc/14/94/25/852149425.db2.gz DXDXWXBZEIUROU-SOUVJXGZSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049064438 852152821 /nfs/dbraw/zinc/15/28/21/852152821.db2.gz GIKMQMRUMQIKOP-ZNMIVQPWSA-N 2 0 277.412 0.740 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049132637 852173514 /nfs/dbraw/zinc/17/35/14/852173514.db2.gz VKPZVTRDRVDGHH-IYBDPMFKSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049170815 852182971 /nfs/dbraw/zinc/18/29/71/852182971.db2.gz FWHPMPUQIMDPIR-KFWWJZLASA-N 2 0 275.396 0.352 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049172609 852184007 /nfs/dbraw/zinc/18/40/07/852184007.db2.gz YSATVBYQNNAKTP-SOUVJXGZSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001072811967 854468382 /nfs/dbraw/zinc/46/83/82/854468382.db2.gz NJWDUOTUVJQVTM-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073554643 854592245 /nfs/dbraw/zinc/59/22/45/854592245.db2.gz KOGLWIFENQXJOY-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001099119262 854916513 /nfs/dbraw/zinc/91/65/13/854916513.db2.gz LPTQETWONWBDFK-VYDXJSESSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879708 855015469 /nfs/dbraw/zinc/01/54/69/855015469.db2.gz OMHAGOREVPYIFK-KBPBESRZSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898830 855024016 /nfs/dbraw/zinc/02/40/16/855024016.db2.gz INQWLCAZEBXSGG-OLZOCXBDSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974046 855058098 /nfs/dbraw/zinc/05/80/98/855058098.db2.gz MNRXYAQQMPPOGE-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100084831 855096391 /nfs/dbraw/zinc/09/63/91/855096391.db2.gz BPOPRNRGZSDFPW-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635939 855202307 /nfs/dbraw/zinc/20/23/07/855202307.db2.gz NZJDLCUQHDECHC-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678614 855208058 /nfs/dbraw/zinc/20/80/58/855208058.db2.gz QRHSDILQFOXLMR-WLYUNCDWSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678613 855208114 /nfs/dbraw/zinc/20/81/14/855208114.db2.gz QRHSDILQFOXLMR-NFOMZHRRSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495730 855440582 /nfs/dbraw/zinc/44/05/82/855440582.db2.gz JVLHPYXSPAFVDY-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514516 855442201 /nfs/dbraw/zinc/44/22/01/855442201.db2.gz ZVRBTPPBBVTEKS-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001114996685 855633503 /nfs/dbraw/zinc/63/35/03/855633503.db2.gz COPCATUEDFWDQX-FOLVSLTJSA-N 2 0 293.411 0.024 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC1=CC[NH2+]CC1 ZINC001118384020 856285322 /nfs/dbraw/zinc/28/53/22/856285322.db2.gz OIDGYRJFKMRAMH-LBPRGKRZSA-N 2 0 250.346 0.434 20 30 CCEDRP C#CCN1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001323356785 912289165 /nfs/dbraw/zinc/28/91/65/912289165.db2.gz KKRINLZBMZCZSO-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)CCn1ccnc1 ZINC001480991589 892027634 /nfs/dbraw/zinc/02/76/34/892027634.db2.gz ZAMRBQAOVZJNPS-UHFFFAOYSA-N 2 0 262.357 0.735 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001481070019 892129109 /nfs/dbraw/zinc/12/91/09/892129109.db2.gz GMGSHFAOGSFXEQ-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001342960307 892860145 /nfs/dbraw/zinc/86/01/45/892860145.db2.gz MPSHHLJBRBOUTP-OBJOEFQTSA-N 2 0 264.373 0.737 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481669352 892984365 /nfs/dbraw/zinc/98/43/65/892984365.db2.gz IULNRMZKALAIIU-UHFFFAOYSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481820572 893187605 /nfs/dbraw/zinc/18/76/05/893187605.db2.gz GGXOMMDKZRPLMP-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001482068439 893353406 /nfs/dbraw/zinc/35/34/06/893353406.db2.gz NFWZPNNYQYQYLY-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482327361 893875498 /nfs/dbraw/zinc/87/54/98/893875498.db2.gz JTCMYNVTRTTXJJ-HUUCEWRRSA-N 2 0 297.443 0.659 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001482566612 894248816 /nfs/dbraw/zinc/24/88/16/894248816.db2.gz YLVFRPHMBXAFHO-CQSZACIVSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001482570903 894254028 /nfs/dbraw/zinc/25/40/28/894254028.db2.gz PGUHUWCPMOBHRD-KGLIPLIRSA-N 2 0 265.401 0.692 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001483409269 895548214 /nfs/dbraw/zinc/54/82/14/895548214.db2.gz JQIHYMWIWZBHAN-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483588622 895670325 /nfs/dbraw/zinc/67/03/25/895670325.db2.gz WLIRJWGTGANSNW-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483598989 895672680 /nfs/dbraw/zinc/67/26/80/895672680.db2.gz PAMJHKBTVLRDFS-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC)CC2)CC1 ZINC001483793824 896059159 /nfs/dbraw/zinc/05/91/59/896059159.db2.gz ATIVXGVGAGJFTP-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001484187455 896224209 /nfs/dbraw/zinc/22/42/09/896224209.db2.gz KKPMYTRLYQVUQG-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484311499 896334592 /nfs/dbraw/zinc/33/45/92/896334592.db2.gz AQNYTBPRQKZBST-AWEZNQCLSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001484380330 896371835 /nfs/dbraw/zinc/37/18/35/896371835.db2.gz HVQHPJDREXRQAX-KBPBESRZSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484976036 896691578 /nfs/dbraw/zinc/69/15/78/896691578.db2.gz KUELSNUZPLXLKW-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001485370289 897001615 /nfs/dbraw/zinc/00/16/15/897001615.db2.gz OPSCQGGAFUUVBK-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001485382462 897008796 /nfs/dbraw/zinc/00/87/96/897008796.db2.gz FLDMFQAIDRMMGT-KGLIPLIRSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC#CC)CC1 ZINC001485387898 897025081 /nfs/dbraw/zinc/02/50/81/897025081.db2.gz JSFOKJUBDCLXTO-OAHLLOKOSA-N 2 0 289.423 0.791 20 30 CCEDRP C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001108031038 898245963 /nfs/dbraw/zinc/24/59/63/898245963.db2.gz WRFWKDLGXJBXCQ-HOCLYGCPSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486086686 898647021 /nfs/dbraw/zinc/64/70/21/898647021.db2.gz YRWXJDJSZSRVPZ-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001486476984 898895463 /nfs/dbraw/zinc/89/54/63/898895463.db2.gz WLTIUCCPQKFSKA-NFOMZHRRSA-N 2 0 277.412 0.931 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001327131458 914391940 /nfs/dbraw/zinc/39/19/40/914391940.db2.gz RUMXZGXMRJPWNL-NWDGAFQWSA-N 2 0 264.373 0.656 20 30 CCEDRP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490232257 900572017 /nfs/dbraw/zinc/57/20/17/900572017.db2.gz BTLDPOKWPGBSSJ-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001490776683 900722859 /nfs/dbraw/zinc/72/28/59/900722859.db2.gz KCBQQPLYDAYIHA-OAHLLOKOSA-N 2 0 277.412 0.886 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC001331689716 904007135 /nfs/dbraw/zinc/00/71/35/904007135.db2.gz OEFHWNINIJATOU-CMPLNLGQSA-N 2 0 252.362 0.512 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491566764 904097801 /nfs/dbraw/zinc/09/78/01/904097801.db2.gz AZGLBDDCUAFMJB-LBPRGKRZSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001316605348 904138793 /nfs/dbraw/zinc/13/87/93/904138793.db2.gz HIKQPXBPWOVKJM-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001281743466 904340340 /nfs/dbraw/zinc/34/03/40/904340340.db2.gz BYHWLZUCOHAWAZ-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001281768341 904346465 /nfs/dbraw/zinc/34/64/65/904346465.db2.gz LYMLYGQOLNYRLJ-UONOGXRCSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001283051356 904682394 /nfs/dbraw/zinc/68/23/94/904682394.db2.gz IAQYVTCBIDNCND-JOCQHMNTSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001491602279 907439274 /nfs/dbraw/zinc/43/92/74/907439274.db2.gz OJUFOISNZCJHPT-UONOGXRCSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491638695 907473443 /nfs/dbraw/zinc/47/34/43/907473443.db2.gz AUHDRUSZIKTTTQ-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491675929 907530624 /nfs/dbraw/zinc/53/06/24/907530624.db2.gz XTQCFWCCDAGEQD-OLZOCXBDSA-N 2 0 269.389 0.235 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491732669 907541422 /nfs/dbraw/zinc/54/14/22/907541422.db2.gz BIEGEWIDXCDURK-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001491812163 907615380 /nfs/dbraw/zinc/61/53/80/907615380.db2.gz JQZTYOURXUTCMZ-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001492256739 907809818 /nfs/dbraw/zinc/80/98/18/907809818.db2.gz FUMFLVWFJHYUEZ-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001303792747 908111360 /nfs/dbraw/zinc/11/13/60/908111360.db2.gz PLNABRZXJGKPRT-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CCC ZINC001317411260 908208456 /nfs/dbraw/zinc/20/84/56/908208456.db2.gz DJRLVUXICGBYOD-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001328280222 908660070 /nfs/dbraw/zinc/66/00/70/908660070.db2.gz SABNIHKZSHCXMP-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317104307 908982290 /nfs/dbraw/zinc/98/22/90/908982290.db2.gz FSMYYKXUPVRJOX-FRRDWIJNSA-N 2 0 251.374 0.894 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317186175 909035943 /nfs/dbraw/zinc/03/59/43/909035943.db2.gz JGGRJUWRDYHYAC-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317414141 909185169 /nfs/dbraw/zinc/18/51/69/909185169.db2.gz MDUPSGKWEMJQCI-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)N1CC[NH+](C)CC1 ZINC001338468881 921476327 /nfs/dbraw/zinc/47/63/27/921476327.db2.gz ZAGKSCDNYPDZTJ-ZIAGYGMSSA-N 2 0 263.389 0.655 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840799 909522763 /nfs/dbraw/zinc/52/27/63/909522763.db2.gz VHMFOLPWXNDGMK-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318276824 909685703 /nfs/dbraw/zinc/68/57/03/909685703.db2.gz UIIYCLMHYBIFQB-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319168118 910014764 /nfs/dbraw/zinc/01/47/64/910014764.db2.gz RYKRIAFVWWJNQJ-ZIAGYGMSSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001319286698 910071578 /nfs/dbraw/zinc/07/15/78/910071578.db2.gz XZIPNUDGEOKMQI-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001320111290 910471680 /nfs/dbraw/zinc/47/16/80/910471680.db2.gz NUTKBHCYPPJVRW-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320257841 910559599 /nfs/dbraw/zinc/55/95/99/910559599.db2.gz MXYXUGPJLAEHHH-AWEZNQCLSA-N 2 0 297.443 0.894 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001320445734 910675947 /nfs/dbraw/zinc/67/59/47/910675947.db2.gz ITOSUWIOUBGWCA-AWEZNQCLSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321066700 911061147 /nfs/dbraw/zinc/06/11/47/911061147.db2.gz OADHOCHVMAFCHI-HYLRALAJSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001321418917 911291432 /nfs/dbraw/zinc/29/14/32/911291432.db2.gz LZMGUEPLNAXDEX-AFNCTOJWSA-N 2 0 263.385 0.756 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321563235 911374704 /nfs/dbraw/zinc/37/47/04/911374704.db2.gz JBIVCSSWRZQDIH-KGLIPLIRSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001322353901 911771057 /nfs/dbraw/zinc/77/10/57/911771057.db2.gz IZAMMQVPSYPTGM-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328206957 915029388 /nfs/dbraw/zinc/02/93/88/915029388.db2.gz FCFVUOYTQRYXIY-UHFFFAOYSA-N 2 0 293.411 0.211 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001329168939 915723090 /nfs/dbraw/zinc/72/30/90/915723090.db2.gz OCEKUWJPIHYTSZ-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001401548001 916316967 /nfs/dbraw/zinc/31/69/67/916316967.db2.gz CVDBMVJCPKFNHT-GFCCVEGCSA-N 2 0 289.807 0.147 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001330422514 916620312 /nfs/dbraw/zinc/62/03/12/916620312.db2.gz CSNJTIQRWYUCFI-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330425837 916622900 /nfs/dbraw/zinc/62/29/00/916622900.db2.gz GFLZUPDIUIVSJD-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)C)CC1 ZINC001330678525 916785951 /nfs/dbraw/zinc/78/59/51/916785951.db2.gz UUCZWBDRKNGKTO-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001332217482 917965050 /nfs/dbraw/zinc/96/50/50/917965050.db2.gz HOQSUSGLRGVYFV-KBPBESRZSA-N 2 0 265.401 0.929 20 30 CCEDRP [NH3+][C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C12CCC2 ZINC001332419993 918141684 /nfs/dbraw/zinc/14/16/84/918141684.db2.gz IBXMUZCCEGRDIC-XWMVSFSJSA-N 2 0 290.367 0.372 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC001335383010 920160535 /nfs/dbraw/zinc/16/05/35/920160535.db2.gz STOPVKQEVKAYRG-CVEARBPZSA-N 2 0 276.380 0.626 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336712740 920946547 /nfs/dbraw/zinc/94/65/47/920946547.db2.gz HBOIBGUBUYPLGO-ZDUSSCGKSA-N 2 0 294.399 0.379 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC001336771140 920994326 /nfs/dbraw/zinc/99/43/26/920994326.db2.gz PTDMMJHGLRRRCW-CQSZACIVSA-N 2 0 266.389 0.044 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC001340350018 922062309 /nfs/dbraw/zinc/06/23/09/922062309.db2.gz QTQHWZRDKCZQHZ-LSDHHAIUSA-N 2 0 289.354 0.692 20 30 CCEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1[NH3+] ZINC001341081542 922339862 /nfs/dbraw/zinc/33/98/62/922339862.db2.gz ZJVFULWISMZWCQ-WDEREUQCSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001341556089 922551010 /nfs/dbraw/zinc/55/10/10/922551010.db2.gz SYCBDLVBBOSWAA-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346430043 924208737 /nfs/dbraw/zinc/20/87/37/924208737.db2.gz GUEUZVWCHFCDKD-RYUDHWBXSA-N 2 0 252.362 0.513 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC001353468837 925843242 /nfs/dbraw/zinc/84/32/42/925843242.db2.gz ICFRUEKLTPAFCI-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@H]21 ZINC001353632592 925890637 /nfs/dbraw/zinc/89/06/37/925890637.db2.gz CZOBCVCFHFJPCV-RRFJBIMHSA-N 2 0 292.427 0.581 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC001354683999 926153032 /nfs/dbraw/zinc/15/30/32/926153032.db2.gz SHHFBCAXVQTOTB-WOPDTQHZSA-N 2 0 252.362 0.369 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001356569590 926402135 /nfs/dbraw/zinc/40/21/35/926402135.db2.gz GCUSQRGVTJMBJD-GASCZTMLSA-N 2 0 295.427 0.605 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000602586110 362692182 /nfs/dbraw/zinc/69/21/82/362692182.db2.gz ZGIDGEWVMICONN-HNNXBMFYSA-N 2 0 286.379 0.970 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000602590227 362696831 /nfs/dbraw/zinc/69/68/31/362696831.db2.gz CNXBLFYCLVTWJY-QWHCGFSZSA-N 2 0 264.373 0.560 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000313105284 354212331 /nfs/dbraw/zinc/21/23/31/354212331.db2.gz YVPJRTURXOBACI-FZMZJTMJSA-N 2 0 280.372 0.059 20 30 CCEDRP C=CCC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000571910278 358926429 /nfs/dbraw/zinc/92/64/29/358926429.db2.gz OHFBMASMXPACJD-CQSZACIVSA-N 2 0 269.433 0.787 20 30 CCEDRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000573953493 359014747 /nfs/dbraw/zinc/01/47/47/359014747.db2.gz ALKOTITTYIEIEM-OAHLLOKOSA-N 2 0 282.432 0.655 20 30 CCEDRP N#CCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592471076 359848393 /nfs/dbraw/zinc/84/83/93/359848393.db2.gz XWVLFCANGOWJOM-UMVBOHGHSA-N 2 0 262.401 0.952 20 30 CCEDRP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611266464 363699671 /nfs/dbraw/zinc/69/96/71/363699671.db2.gz YJKNOMPHPAODRW-LSDHHAIUSA-N 2 0 267.417 0.635 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441807 360309855 /nfs/dbraw/zinc/30/98/55/360309855.db2.gz XABHJZCQBLQGKI-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445165 360313291 /nfs/dbraw/zinc/31/32/91/360313291.db2.gz AZNYCTSQZFMXOA-LLVKDONJSA-N 2 0 254.378 0.854 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@H]1C[C@@H](O)C1)C[C@H]1C[C@@H](O)C1 ZINC000626046813 368412225 /nfs/dbraw/zinc/41/22/25/368412225.db2.gz SKOKGZNPKUQLSB-RUPPMWDTSA-N 2 0 280.412 0.395 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000490760771 261204482 /nfs/dbraw/zinc/20/44/82/261204482.db2.gz PDEMPTUJQKNUAK-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971930 803003774 /nfs/dbraw/zinc/00/37/74/803003774.db2.gz RQEHDSVBHCRBQA-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CC[C@@H](CO)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000186624339 388843296 /nfs/dbraw/zinc/84/32/96/388843296.db2.gz BEJAXMMMPPKFJB-ZDUSSCGKSA-N 2 0 298.431 0.249 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000066484346 388944242 /nfs/dbraw/zinc/94/42/42/388944242.db2.gz NLZCTLULFWCUJF-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP CC1CCN(C(=[NH2+])NCCN2CCC[N@H+](C)CC2)CC1 ZINC000303368893 389081357 /nfs/dbraw/zinc/08/13/57/389081357.db2.gz JFPPVKNZQCCAAN-UHFFFAOYSA-N 2 0 281.448 0.671 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)cn1 ZINC000107595208 389096751 /nfs/dbraw/zinc/09/67/51/389096751.db2.gz IJLPOTKOAYDWTG-UHFFFAOYSA-N 2 0 289.383 0.519 20 30 CCEDRP CN(CC[N@H+](C)CCOCCC#N)C1CC[NH+](C)CC1 ZINC000339055051 389123379 /nfs/dbraw/zinc/12/33/79/389123379.db2.gz UJOMLBHSXKWDOG-UHFFFAOYSA-N 2 0 282.432 0.874 20 30 CCEDRP O[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339782858 389139740 /nfs/dbraw/zinc/13/97/40/389139740.db2.gz ZRYWDIGFXOTBDE-HOTGVXAUSA-N 2 0 280.412 0.683 20 30 CCEDRP CN(C)C(=[NH+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)N(C)C ZINC000360573286 389199826 /nfs/dbraw/zinc/19/98/26/389199826.db2.gz PZBLMYFIZKGIHH-RYUDHWBXSA-N 2 0 254.378 0.329 20 30 CCEDRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000330713891 389253146 /nfs/dbraw/zinc/25/31/46/389253146.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 0 285.436 0.076 20 30 CCEDRP CN1CC[NH+]=C1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000262471838 389287391 /nfs/dbraw/zinc/28/73/91/389287391.db2.gz BGAZFLQVJDGXCD-HNNXBMFYSA-N 2 0 288.395 0.644 20 30 CCEDRP CCN(CCC#N)C(=O)C[N@H+](C)CCCn1ccnc1 ZINC000181059374 389680590 /nfs/dbraw/zinc/68/05/90/389680590.db2.gz QJZQVONDKSQVFO-UHFFFAOYSA-N 2 0 277.372 0.967 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH2+]CC)CC1 ZINC000417537427 389827938 /nfs/dbraw/zinc/82/79/38/389827938.db2.gz LWQOIUQXCHKROI-UHFFFAOYSA-N 2 0 268.405 0.936 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338397 389985800 /nfs/dbraw/zinc/98/58/00/389985800.db2.gz KVGHWIIJBSGZBJ-MELADBBJSA-N 2 0 265.401 0.999 20 30 CCEDRP C[C@H](C#N)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000542874230 390274809 /nfs/dbraw/zinc/27/48/09/390274809.db2.gz FQGDDBNNDVMGEH-GFCCVEGCSA-N 2 0 269.393 0.281 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC(C[NH2+]C)CC2)C1=O ZINC000566244735 390595807 /nfs/dbraw/zinc/59/58/07/390595807.db2.gz HCPOGAHIRRJBIE-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759616 414769404 /nfs/dbraw/zinc/76/94/04/414769404.db2.gz UNUNYNBFHQJWRI-HIFRSBDPSA-N 2 0 280.416 0.047 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@]2(COC)CCC[NH2+]2)CCC[NH2+]1 ZINC000662778842 414785829 /nfs/dbraw/zinc/78/58/29/414785829.db2.gz JFHOZHPJXWITSO-LSDHHAIUSA-N 2 0 281.400 0.570 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000662402604 414714860 /nfs/dbraw/zinc/71/48/60/414714860.db2.gz LLWUJVFLRSIOJU-OCCSQVGLSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665275192 415583081 /nfs/dbraw/zinc/58/30/81/415583081.db2.gz FANQAUWDUGCQQV-MELADBBJSA-N 2 0 254.374 0.936 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000341639157 263345063 /nfs/dbraw/zinc/34/50/63/263345063.db2.gz MWQHCUYJPGZEHL-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CC1 ZINC000334505411 264360730 /nfs/dbraw/zinc/36/07/30/264360730.db2.gz LUYACEYTQMUVDZ-HIFRSBDPSA-N 2 0 292.427 0.982 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362800850 267047438 /nfs/dbraw/zinc/04/74/38/267047438.db2.gz JFUJUGKSTSYQBN-JSGCOSHPSA-N 2 0 265.401 0.951 20 30 CCEDRP CN(C)C(=[NH+]CCN1CCOC(C)(C)C1)N(C)C ZINC000170912886 329072321 /nfs/dbraw/zinc/07/23/21/329072321.db2.gz PPEKHGOSUZFCNO-UHFFFAOYSA-N 2 0 256.394 0.576 20 30 CCEDRP C[NH+]=C(NCC(=O)NC1CC1)NC1CC[NH+](C(C)C)CC1 ZINC000262253269 330002923 /nfs/dbraw/zinc/00/29/23/330002923.db2.gz QTQJQYQHLXBLIX-UHFFFAOYSA-N 2 0 295.431 0.303 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@H](COC)C1 ZINC000262430996 330010282 /nfs/dbraw/zinc/01/02/82/330010282.db2.gz DYYCJXWOUHRIKQ-QWHCGFSZSA-N 2 0 268.405 0.482 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262505430 330018592 /nfs/dbraw/zinc/01/85/92/330018592.db2.gz ZTLNMUVWQIXOMD-STQMWFEESA-N 2 0 284.404 0.133 20 30 CCEDRP C=CC[C@H](CO)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423036878 330166419 /nfs/dbraw/zinc/16/64/19/330166419.db2.gz LWVZABLRPMIEFX-CHWSQXEVSA-N 2 0 284.400 0.834 20 30 CCEDRP N#C[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423182932 330175339 /nfs/dbraw/zinc/17/53/39/330175339.db2.gz KMXSOQDVZJODHZ-KBPBESRZSA-N 2 0 250.390 0.954 20 30 CCEDRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424129640 330260093 /nfs/dbraw/zinc/26/00/93/330260093.db2.gz GJJPAGMKYKCLHH-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424139432 330278995 /nfs/dbraw/zinc/27/89/95/330278995.db2.gz VGVSTRXQLMJBPA-MCIONIFRSA-N 2 0 296.415 0.623 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000424162096 330307371 /nfs/dbraw/zinc/30/73/71/330307371.db2.gz ZFUBGPRBZIJFJF-NWDGAFQWSA-N 2 0 250.346 0.360 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300498 330337151 /nfs/dbraw/zinc/33/71/51/330337151.db2.gz WJVHZSTXBTZTPX-GFCCVEGCSA-N 2 0 294.399 0.462 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000490679659 332103153 /nfs/dbraw/zinc/10/31/53/332103153.db2.gz UDPQZMRUYGMLDB-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@](C)(O)CC[NH+](C)C)CC1 ZINC000490739165 332110229 /nfs/dbraw/zinc/11/02/29/332110229.db2.gz BOZDDBXLQXYRMW-MRXNPFEDSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000491069172 332145325 /nfs/dbraw/zinc/14/53/25/332145325.db2.gz UCKBZVZPQXBVAZ-SOUVJXGZSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000491381525 332201118 /nfs/dbraw/zinc/20/11/18/332201118.db2.gz FXRTYGAVXVYTMK-UONOGXRCSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000491473162 332217452 /nfs/dbraw/zinc/21/74/52/332217452.db2.gz BGUJHXAAZGECDR-OAHLLOKOSA-N 2 0 294.443 0.971 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491524832 332229915 /nfs/dbraw/zinc/22/99/15/332229915.db2.gz OIKSLUKEWOWYDQ-CABCVRRESA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000491537905 332232798 /nfs/dbraw/zinc/23/27/98/332232798.db2.gz UTDUKKRQMCFLFR-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000491630531 332253286 /nfs/dbraw/zinc/25/32/86/332253286.db2.gz NBXVQXOJRDXODH-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000491663652 332272725 /nfs/dbraw/zinc/27/27/25/332272725.db2.gz HEGQJSISRYCLEX-KBPBESRZSA-N 2 0 280.416 0.629 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491751295 332327731 /nfs/dbraw/zinc/32/77/31/332327731.db2.gz KIOQIZCVBNRLHX-UHFFFAOYSA-N 2 0 292.427 0.868 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236659506 333374425 /nfs/dbraw/zinc/37/44/25/333374425.db2.gz SLZLGFAVKPIDJH-CQSZACIVSA-N 2 0 281.400 0.522 20 30 CCEDRP N#CCCC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576519764 335214088 /nfs/dbraw/zinc/21/40/88/335214088.db2.gz OBPHITKUDCGJRS-UHFFFAOYSA-N 2 0 278.400 0.824 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000581127439 336011987 /nfs/dbraw/zinc/01/19/87/336011987.db2.gz TZIGLSQWFGFKDP-QXKUPLGCSA-N 2 0 298.427 0.637 20 30 CCEDRP N#CCCC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000581251799 336032364 /nfs/dbraw/zinc/03/23/64/336032364.db2.gz QAPBLGSYFDOJAC-UHFFFAOYSA-N 2 0 250.390 0.907 20 30 CCEDRP C#Cc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000728985560 581527014 /nfs/dbraw/zinc/52/70/14/581527014.db2.gz NOSOHJRVJOGJEM-UHFFFAOYSA-N 2 0 288.395 0.628 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000732058268 581800067 /nfs/dbraw/zinc/80/00/67/581800067.db2.gz QVQUBFZWECIGMH-KKUMJFAQSA-N 2 0 275.396 0.827 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000774100607 581959618 /nfs/dbraw/zinc/95/96/18/581959618.db2.gz KCYVEYVMYUXAFU-ZDUSSCGKSA-N 2 0 283.416 0.408 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887131382 612948033 /nfs/dbraw/zinc/94/80/33/612948033.db2.gz WKESPUVAILTIAV-UONOGXRCSA-N 2 0 286.379 0.730 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260820 612950262 /nfs/dbraw/zinc/95/02/62/612950262.db2.gz GGXVWDNMGUYFNS-KBPBESRZSA-N 2 0 286.379 0.730 20 30 CCEDRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1C#N ZINC000904396407 617186104 /nfs/dbraw/zinc/18/61/04/617186104.db2.gz NSSDMCPFTGUOSJ-UHFFFAOYSA-N 2 0 274.368 0.562 20 30 CCEDRP C#CCNC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865244614 612953567 /nfs/dbraw/zinc/95/35/67/612953567.db2.gz BZOGNYCWINHGAF-CHWSQXEVSA-N 2 0 282.457 0.165 20 30 CCEDRP C#CCN(C(=O)[C@@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886573784 613068418 /nfs/dbraw/zinc/06/84/18/613068418.db2.gz WISLYCBUSHDPRZ-GFCCVEGCSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922630806 613074978 /nfs/dbraw/zinc/07/49/78/613074978.db2.gz RWCTZOXXXUZFRW-UHFFFAOYSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CCOCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000851934318 612982229 /nfs/dbraw/zinc/98/22/29/612982229.db2.gz IMUAPAJOWXLVLJ-UHFFFAOYSA-N 2 0 293.455 0.986 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900797545 612999053 /nfs/dbraw/zinc/99/90/53/612999053.db2.gz GMVXLIRZLBLNSJ-HOCLYGCPSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000895057250 613073355 /nfs/dbraw/zinc/07/33/55/613073355.db2.gz TXKADYRIRIECEB-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000972334771 613089717 /nfs/dbraw/zinc/08/97/17/613089717.db2.gz JUSSEKZGIALAKM-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](C(C)C)C2)CC1 ZINC000856486025 613129110 /nfs/dbraw/zinc/12/91/10/613129110.db2.gz UFUKRRQOGTUOHV-HNNXBMFYSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC000887934639 613130038 /nfs/dbraw/zinc/13/00/38/613130038.db2.gz PFLCDFDYINRBJM-WBVHZDCISA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000921406333 613135541 /nfs/dbraw/zinc/13/55/41/613135541.db2.gz HDGYSSOMXYZQGT-ZFWWWQNUSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000928655923 613135719 /nfs/dbraw/zinc/13/57/19/613135719.db2.gz DENGVRJKEWLWGE-CQSZACIVSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961776647 613313636 /nfs/dbraw/zinc/31/36/36/613313636.db2.gz FDSDJWBKGOVXCA-NHAGDIPZSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000961937613 613316671 /nfs/dbraw/zinc/31/66/71/613316671.db2.gz AJIUCKAUUVBCMT-QXSJWSMHSA-N 2 0 289.423 0.929 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000764578122 613365807 /nfs/dbraw/zinc/36/58/07/613365807.db2.gz WFWSCMYKYZZCRJ-AAEUAGOBSA-N 2 0 253.390 0.903 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755059 613366128 /nfs/dbraw/zinc/36/61/28/613366128.db2.gz CXBFLAOAWSJNDG-ZIAGYGMSSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755058 613366311 /nfs/dbraw/zinc/36/63/11/613366311.db2.gz CXBFLAOAWSJNDG-UONOGXRCSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827277926 613366339 /nfs/dbraw/zinc/36/63/39/613366339.db2.gz RHMVFGNBXCWOOD-OLZOCXBDSA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000876515722 613390097 /nfs/dbraw/zinc/39/00/97/613390097.db2.gz FCLQRUGYQZNKCQ-DCAQKATOSA-N 2 0 259.781 0.961 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000876781859 613390392 /nfs/dbraw/zinc/39/03/92/613390392.db2.gz KKIYFNLEVVTYNQ-NEPJUHHUSA-N 2 0 288.823 0.208 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000876847249 613390443 /nfs/dbraw/zinc/39/04/43/613390443.db2.gz AZACQMQRKGBPGE-DMLMCSCLSA-N 2 0 259.781 0.959 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000911880679 613472848 /nfs/dbraw/zinc/47/28/48/613472848.db2.gz ADOOLAFDGLFCLY-SRVKXCTJSA-N 2 0 255.362 0.245 20 30 CCEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)NC(C[NH3+])C[NH3+] ZINC000923350999 613651707 /nfs/dbraw/zinc/65/17/07/613651707.db2.gz DPIBUPRLTZKHEG-NSHDSACASA-N 2 0 296.440 0.527 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884214053 613675854 /nfs/dbraw/zinc/67/58/54/613675854.db2.gz RXPRHBCSELUCPD-ZDUSSCGKSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961776660 613837620 /nfs/dbraw/zinc/83/76/20/613837620.db2.gz XAFFLEGTWJQWKQ-CXTNEJHOSA-N 2 0 263.385 0.703 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961787114 613837872 /nfs/dbraw/zinc/83/78/72/613837872.db2.gz JPFFXENQTMYWML-CXTNEJHOSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959921088 613840347 /nfs/dbraw/zinc/84/03/47/613840347.db2.gz LXRAWWAKWNTWMG-BYNSBNAKSA-N 2 0 275.396 0.561 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407316 613864688 /nfs/dbraw/zinc/86/46/88/613864688.db2.gz DJQLVQUGJHUGDU-IQXANGCESA-N 2 0 291.395 0.226 20 30 CCEDRP CC(C)(CCC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852881870 614082866 /nfs/dbraw/zinc/08/28/66/614082866.db2.gz RHZVQKRJXRELLR-UHFFFAOYSA-N 2 0 251.374 0.623 20 30 CCEDRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834499847 614324575 /nfs/dbraw/zinc/32/45/75/614324575.db2.gz NKHIMQCJNNOVHA-QWHCGFSZSA-N 2 0 264.373 0.335 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524886 614650629 /nfs/dbraw/zinc/65/06/29/614650629.db2.gz AMDORAZYBMNBPE-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP CC[NH+](CC)C[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198446 615001551 /nfs/dbraw/zinc/00/15/51/615001551.db2.gz WXKUCHPLHUAYKR-ILTLLKDXSA-N 2 0 292.427 0.972 20 30 CCEDRP CC[NH2+]CC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852798883 615084887 /nfs/dbraw/zinc/08/48/87/615084887.db2.gz PDKNTWIEMUEQJW-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000104172525 615144397 /nfs/dbraw/zinc/14/43/97/615144397.db2.gz CAQMJZTXVLOYBU-ZFWWWQNUSA-N 3 0 293.459 0.859 20 30 CCEDRP C[N@@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863323 616204950 /nfs/dbraw/zinc/20/49/50/616204950.db2.gz MLQZKQTYIHTBPP-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP C[N@@H+]1CCC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000852887463 616215357 /nfs/dbraw/zinc/21/53/57/616215357.db2.gz AMGBOQDYIMHKQW-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP CN(C)C(=[NH+]CCCC[NH+]1CCN(C)CC1)N(C)C ZINC000104169861 616240506 /nfs/dbraw/zinc/24/05/06/616240506.db2.gz FJTRCWHLPMLBRR-UHFFFAOYSA-N 2 0 269.437 0.493 20 30 CCEDRP C[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876521376 616962384 /nfs/dbraw/zinc/96/23/84/616962384.db2.gz VVLFHGVBYKPAKO-CYBMUJFWSA-N 2 0 258.325 0.081 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023274186 622974691 /nfs/dbraw/zinc/97/46/91/622974691.db2.gz UWVQQWKFLLGDBW-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)no1 ZINC000170911911 623813741 /nfs/dbraw/zinc/81/37/41/623813741.db2.gz BPHFXXLQGNZFDU-LLVKDONJSA-N 2 0 265.361 0.872 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406231 624469677 /nfs/dbraw/zinc/46/96/77/624469677.db2.gz NWRDRVIVXIAGBE-JGNFHWBKSA-N 2 0 291.395 0.272 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001021898399 624850768 /nfs/dbraw/zinc/85/07/68/624850768.db2.gz ZRBOJEPAWPEIBH-FRRDWIJNSA-N 2 0 251.374 0.894 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001022119309 624876403 /nfs/dbraw/zinc/87/64/03/624876403.db2.gz CWKVAXNXVXTORU-BETUJISGSA-N 2 0 286.379 0.632 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000104174627 630767297 /nfs/dbraw/zinc/76/72/97/630767297.db2.gz TYRBIYXYHOZQTI-CYBMUJFWSA-N 2 0 267.421 0.350 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000262008511 631752982 /nfs/dbraw/zinc/75/29/82/631752982.db2.gz WDEOFFAPEUMQDD-OLZOCXBDSA-N 2 0 299.488 0.293 20 30 CCEDRP CCNC(NC[C@H]1CCC[N@@H+]1CCOC)=[NH+]CC ZINC000303982783 632503279 /nfs/dbraw/zinc/50/32/79/632503279.db2.gz QQTTXQJYPLCXMJ-GFCCVEGCSA-N 2 0 256.394 0.672 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000985653297 632609905 /nfs/dbraw/zinc/60/99/05/632609905.db2.gz KZICBUNMVWEXPR-UKRRQHHQSA-N 2 0 277.412 0.740 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC[C@H](C)C1 ZINC000262781695 632737942 /nfs/dbraw/zinc/73/79/42/632737942.db2.gz LDKSSBOYMXFUGQ-LSDHHAIUSA-N 2 0 293.459 0.684 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCF)C[C@@H]2C)CC1 ZINC000989829681 633359194 /nfs/dbraw/zinc/35/91/94/633359194.db2.gz UXLQHKKQKXVMCR-DZGCQCFKSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001009211192 650139926 /nfs/dbraw/zinc/13/99/26/650139926.db2.gz AXHFPDYNCPOBCT-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001009203476 650140154 /nfs/dbraw/zinc/14/01/54/650140154.db2.gz RKHYSTITVUEAMW-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP [NH2+]=C(NCCC[NH+]1CCCCC1)N1CCOCC1 ZINC000170908565 637104230 /nfs/dbraw/zinc/10/42/30/637104230.db2.gz IVDMDRUSJQWXLE-UHFFFAOYSA-N 2 0 254.378 0.509 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995920204 638804694 /nfs/dbraw/zinc/80/46/94/638804694.db2.gz TXQOZUAKIJBEBE-CQSZACIVSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008931 638848452 /nfs/dbraw/zinc/84/84/52/638848452.db2.gz NFWCVHFKEYNQNB-JSGCOSHPSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999207182 638967740 /nfs/dbraw/zinc/96/77/40/638967740.db2.gz KCSHYYIHAIHZAP-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681316 638990295 /nfs/dbraw/zinc/99/02/95/638990295.db2.gz DGHPHYWNRXXTOB-IYXRBSQSSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000183691 639049513 /nfs/dbraw/zinc/04/95/13/639049513.db2.gz KORFYUGKRKIUSN-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001000843837 639182136 /nfs/dbraw/zinc/18/21/36/639182136.db2.gz INGDUFIXHYHXOQ-UKRRQHHQSA-N 2 0 293.411 0.640 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001447795 639305022 /nfs/dbraw/zinc/30/50/22/639305022.db2.gz CUYZKUKLGPJZIV-OAHLLOKOSA-N 2 0 275.396 0.710 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005412871 639908962 /nfs/dbraw/zinc/90/89/62/639908962.db2.gz MMLWAWCCAYNWII-UKRRQHHQSA-N 2 0 277.412 0.883 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015700834 650612360 /nfs/dbraw/zinc/61/23/60/650612360.db2.gz BQAGTQPSNWRXQY-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015899654 650652127 /nfs/dbraw/zinc/65/21/27/650652127.db2.gz PIZHURINMAELRP-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000834485640 642577933 /nfs/dbraw/zinc/57/79/33/642577933.db2.gz ZQJACAQLYNVGSS-ZLDLUXBVSA-N 2 0 297.362 0.265 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000834490375 642581193 /nfs/dbraw/zinc/58/11/93/642581193.db2.gz UTARMCWSUNVDDL-PMPSAXMXSA-N 2 0 298.390 0.879 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000848413006 643633903 /nfs/dbraw/zinc/63/39/03/643633903.db2.gz HUFYGYAHDQSFID-RDBSUJKOSA-N 2 0 294.399 0.377 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848428071 643635363 /nfs/dbraw/zinc/63/53/63/643635363.db2.gz UVZANTLLLVAXHD-WOPDTQHZSA-N 2 0 250.346 0.218 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852828516 644015113 /nfs/dbraw/zinc/01/51/13/644015113.db2.gz YGXWLFLDIULZHO-MRVWCRGKSA-N 2 0 270.336 0.449 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858707 644027730 /nfs/dbraw/zinc/02/77/30/644027730.db2.gz GMDDOSZGNGVHPL-CQSZACIVSA-N 2 0 277.412 0.980 20 30 CCEDRP [NH3+]CCOc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852876079 644037265 /nfs/dbraw/zinc/03/72/65/644037265.db2.gz VCDZMJPBUYUORR-UHFFFAOYSA-N 2 0 287.363 0.966 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000852879932 644039646 /nfs/dbraw/zinc/03/96/46/644039646.db2.gz YMVXZFOBWOQNOY-OKILXGFUSA-N 2 0 261.369 0.342 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000852881472 644040521 /nfs/dbraw/zinc/04/05/21/644040521.db2.gz LIBHEISRADVABF-GASCZTMLSA-N 2 0 275.396 0.447 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852882447 644041388 /nfs/dbraw/zinc/04/13/88/644041388.db2.gz HHTBTJGNICANAV-HZPDHXFCSA-N 2 0 289.423 0.838 20 30 CCEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885011 644042083 /nfs/dbraw/zinc/04/20/83/644042083.db2.gz RLNGLYVGYKUJJU-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001018938160 650922960 /nfs/dbraw/zinc/92/29/60/650922960.db2.gz BVIQVQJHGDGJKN-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001018963032 650925043 /nfs/dbraw/zinc/92/50/43/650925043.db2.gz VSKTXOCLWQXZNR-LBPRGKRZSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001019661780 650996844 /nfs/dbraw/zinc/99/68/44/650996844.db2.gz FFOPZSITDLAGLZ-LBPRGKRZSA-N 2 0 272.352 0.585 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001019779189 651004462 /nfs/dbraw/zinc/00/44/62/651004462.db2.gz POPVCIATXJFHLY-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000867964438 645691969 /nfs/dbraw/zinc/69/19/69/645691969.db2.gz YNGUXPNEAUDVCS-ZFWWWQNUSA-N 2 0 284.363 0.613 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877243869 646766053 /nfs/dbraw/zinc/76/60/53/646766053.db2.gz QTGWBWJLIOLMGF-WHOFXGATSA-N 2 0 284.363 0.599 20 30 CCEDRP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000877253934 646770052 /nfs/dbraw/zinc/77/00/52/646770052.db2.gz KPQQABHXWCMQTB-LBPRGKRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884013024 647610390 /nfs/dbraw/zinc/61/03/90/647610390.db2.gz ANCMOEZCPPWTHL-LCEPCISISA-N 2 0 290.411 0.854 20 30 CCEDRP C[C@](C[NH3+])(NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884031446 647618613 /nfs/dbraw/zinc/61/86/13/647618613.db2.gz PFWLEFBVNUFIRN-UQWUEBAGSA-N 2 0 276.384 0.369 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCCC1)C2 ZINC000884180214 647660019 /nfs/dbraw/zinc/66/00/19/647660019.db2.gz QBLCMSUBWGBYDO-OWYJLGKBSA-N 2 0 276.384 0.338 20 30 CCEDRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884271409 647689801 /nfs/dbraw/zinc/68/98/01/647689801.db2.gz DGHVPGFNEBYDQY-POXRMXKUSA-N 2 0 276.384 0.382 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCCC1 ZINC000104174521 648204704 /nfs/dbraw/zinc/20/47/04/648204704.db2.gz KHWHDMRESPOLSD-RYUDHWBXSA-N 2 0 256.394 0.658 20 30 CCEDRP N#CC[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929762064 648788234 /nfs/dbraw/zinc/78/82/34/648788234.db2.gz CFSQUOOOJCMKOF-CQSZACIVSA-N 2 0 281.400 0.838 20 30 CCEDRP C[NH+]=C(NC[C@@H](C(C)C)N1CC[NH+](C)CC1)NC1CC1 ZINC000303391788 649818282 /nfs/dbraw/zinc/81/82/82/649818282.db2.gz FCOJYYLNKRRUIG-AWEZNQCLSA-N 2 0 281.448 0.586 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303787680 649825020 /nfs/dbraw/zinc/82/50/20/649825020.db2.gz SQZLIYOIYFVDNC-AWEZNQCLSA-N 2 0 281.448 0.739 20 30 CCEDRP CC(C)CNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303793601 649825433 /nfs/dbraw/zinc/82/54/33/649825433.db2.gz ZQZZIJJIKTZDAM-ZDUSSCGKSA-N 2 0 270.421 0.904 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303898165 649826645 /nfs/dbraw/zinc/82/66/45/649826645.db2.gz VJVPAQHXCKKNBV-UONOGXRCSA-N 2 0 292.431 0.908 20 30 CCEDRP CC[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303903454 649826749 /nfs/dbraw/zinc/82/67/49/649826749.db2.gz ULAPSKGHSWOSEO-LBPRGKRZSA-N 2 0 254.378 0.508 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303987300 649827960 /nfs/dbraw/zinc/82/79/60/649827960.db2.gz VHMHGXOYFMIPEV-CYBMUJFWSA-N 2 0 286.420 0.428 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])N2CCCCC2)CC1 ZINC000304697193 649837699 /nfs/dbraw/zinc/83/76/99/649837699.db2.gz IQLNOXJEUUURNK-UHFFFAOYSA-N 2 0 281.448 0.813 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])NC2CC2)CC1 ZINC000304736556 649837750 /nfs/dbraw/zinc/83/77/50/649837750.db2.gz SIFJIAIKPDYNTL-UHFFFAOYSA-N 2 0 253.394 0.079 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266352851 790570861 /nfs/dbraw/zinc/57/08/61/790570861.db2.gz JFDVEVIGSPFVKB-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236242 790728860 /nfs/dbraw/zinc/72/88/60/790728860.db2.gz INCZRVFQZLWXIF-KGLIPLIRSA-N 2 0 277.412 0.693 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266453381 790743637 /nfs/dbraw/zinc/74/36/37/790743637.db2.gz DUNHQGVACLXLFQ-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266695108 791149674 /nfs/dbraw/zinc/14/96/74/791149674.db2.gz KQOAXVWEAWZBFT-QLFBSQMISA-N 2 0 295.427 0.910 20 30 CCEDRP C=C(C)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001277476109 805702663 /nfs/dbraw/zinc/70/26/63/805702663.db2.gz MVRRXBPMTUKIDS-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266992441 791426714 /nfs/dbraw/zinc/42/67/14/791426714.db2.gz BLRBNSFKUXGYCK-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001266994667 791429680 /nfs/dbraw/zinc/42/96/80/791429680.db2.gz OIXRPRYETDKPRC-CYBMUJFWSA-N 2 0 261.369 0.059 20 30 CCEDRP C#CCC[N@@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267230521 791709171 /nfs/dbraw/zinc/70/91/71/791709171.db2.gz QKQWSZVDCJFQKW-CQSZACIVSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001120624912 798891824 /nfs/dbraw/zinc/89/18/24/798891824.db2.gz UWOMXYWAVBZVSZ-OLZOCXBDSA-N 2 0 266.389 0.368 20 30 CCEDRP C[NH2+]CCN(C(=O)[C@H]([NH3+])CCCCC#N)C(C)C ZINC001122254642 799180301 /nfs/dbraw/zinc/18/03/01/799180301.db2.gz PVVCTSCSCNUVEI-GFCCVEGCSA-N 2 0 254.378 0.854 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001122582236 799269430 /nfs/dbraw/zinc/26/94/30/799269430.db2.gz YHPQMSPCFUSAOD-QWRGUYRKSA-N 2 0 259.781 0.962 20 30 CCEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242073 800324417 /nfs/dbraw/zinc/32/44/17/800324417.db2.gz UPKREZLSGFFLJE-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717019 800362790 /nfs/dbraw/zinc/36/27/90/800362790.db2.gz VCVWOJQIDMRJRH-CQSZACIVSA-N 2 0 281.400 0.475 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409735 801162461 /nfs/dbraw/zinc/16/24/61/801162461.db2.gz WNPIZCBLVKCQOY-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1c2c(cnc1-n1ccc(C[NH3+])cc1=N)C[NH2+]CCC2 ZINC001156850118 801249512 /nfs/dbraw/zinc/24/95/12/801249512.db2.gz RAOYTFZKMNXLQS-UHFFFAOYSA-N 2 0 294.362 0.718 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428656 801647792 /nfs/dbraw/zinc/64/77/92/801647792.db2.gz MXZBTDINFCFORW-ZIAGYGMSSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506541 801660081 /nfs/dbraw/zinc/66/00/81/801660081.db2.gz LUBYVJNOOVBMOM-GJZGRUSLSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932370 801892881 /nfs/dbraw/zinc/89/28/81/801892881.db2.gz PVJVQNASUKKIOA-AWEZNQCLSA-N 2 0 283.416 0.625 20 30 CCEDRP N#C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160642730 801987951 /nfs/dbraw/zinc/98/79/51/801987951.db2.gz LVIXAPULHUMIKD-JQWIXIFHSA-N 2 0 250.346 0.075 20 30 CCEDRP C=C(C)CN(CC)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160689822 802001219 /nfs/dbraw/zinc/00/12/19/802001219.db2.gz SPJULRFAXWZHHB-ZDUSSCGKSA-N 2 0 268.405 0.161 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161261307 802117492 /nfs/dbraw/zinc/11/74/92/802117492.db2.gz DYARCZCXHNXQDQ-HNNXBMFYSA-N 2 0 265.401 0.964 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872468 802431964 /nfs/dbraw/zinc/43/19/64/802431964.db2.gz STZPXIHFRHMGCL-JVWICGRDSA-N 2 0 279.384 0.132 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001163822247 802618464 /nfs/dbraw/zinc/61/84/64/802618464.db2.gz WSBQDJWPRMZQFP-CYBMUJFWSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733005 811728988 /nfs/dbraw/zinc/72/89/88/811728988.db2.gz RTIHKAFLJLRXDM-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166925097 802978136 /nfs/dbraw/zinc/97/81/36/802978136.db2.gz XHFVAJGYCWUKRC-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166930484 802982033 /nfs/dbraw/zinc/98/20/33/802982033.db2.gz GHKUGRRZLJKLMX-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP COCC#CC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166972382 803004093 /nfs/dbraw/zinc/00/40/93/803004093.db2.gz YHJWHZHGACXLRO-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001276421727 803045870 /nfs/dbraw/zinc/04/58/70/803045870.db2.gz MLOXHKUTHZHWOU-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001206281153 803223542 /nfs/dbraw/zinc/22/35/42/803223542.db2.gz CXKHHAOLCMYJSE-HIFRSBDPSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547273 803418409 /nfs/dbraw/zinc/41/84/09/803418409.db2.gz QXHXWPXACIOXPT-MRVWCRGKSA-N 2 0 263.385 0.396 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563228 803419814 /nfs/dbraw/zinc/41/98/14/803419814.db2.gz KMDHDJAMINNCPM-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210810766 803660734 /nfs/dbraw/zinc/66/07/34/803660734.db2.gz CQSSNXXPMVGJES-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811951 803660752 /nfs/dbraw/zinc/66/07/52/803660752.db2.gz RZGPARUJRFIYIW-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001276725807 803822012 /nfs/dbraw/zinc/82/20/12/803822012.db2.gz JJVXAGAJOAWVEC-YHUYYLMFSA-N 2 0 289.423 0.646 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557683 804004135 /nfs/dbraw/zinc/00/41/35/804004135.db2.gz HNCQYLRVBMMXHQ-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218625387 804041924 /nfs/dbraw/zinc/04/19/24/804041924.db2.gz YUVUDLICAYAXRY-ZETCQYMHSA-N 2 0 270.383 0.577 20 30 CCEDRP N#Cc1c(F)ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1F ZINC001218912547 804154292 /nfs/dbraw/zinc/15/42/92/804154292.db2.gz CPVQGTKZPNYOEO-SECBINFHSA-N 2 0 292.289 0.584 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830509 804429838 /nfs/dbraw/zinc/42/98/38/804429838.db2.gz YJXGLCPEFFLNLU-ZNMIVQPWSA-N 2 0 295.427 0.598 20 30 CCEDRP C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1cccc(C#N)c1 ZINC001220047313 804484124 /nfs/dbraw/zinc/48/41/24/804484124.db2.gz ZTVSRBAYGDKISR-SMDDNHRTSA-N 2 0 284.363 0.544 20 30 CCEDRP C=C(C)C(=O)OCCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220124595 804506727 /nfs/dbraw/zinc/50/67/27/804506727.db2.gz DIZNDLTUNQLRRZ-NSHDSACASA-N 2 0 271.361 0.068 20 30 CCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236622 804544321 /nfs/dbraw/zinc/54/43/21/804544321.db2.gz ARQZSSITEOUXIQ-ZNMIVQPWSA-N 2 0 297.443 0.844 20 30 CCEDRP CC1(C)CC(=O)C=C(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001220413852 804598846 /nfs/dbraw/zinc/59/88/46/804598846.db2.gz RFZPSSUEHDKRNH-CYBMUJFWSA-N 2 0 279.384 0.703 20 30 CCEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(=O)OCC ZINC001220570908 804626070 /nfs/dbraw/zinc/62/60/70/804626070.db2.gz CWUQQLZMYGRAPF-XUJVJEKNSA-N 2 0 297.399 0.327 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220700822 804652064 /nfs/dbraw/zinc/65/20/64/804652064.db2.gz PERVFPQHGMLIJK-CHWSQXEVSA-N 2 0 278.400 0.915 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220799307 804669960 /nfs/dbraw/zinc/66/99/60/804669960.db2.gz VYPSHSNFJKHBTJ-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220868429 804684094 /nfs/dbraw/zinc/68/40/94/804684094.db2.gz JFMKHSWRXOJQKS-KBPBESRZSA-N 2 0 280.416 0.080 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC001220868332 804685327 /nfs/dbraw/zinc/68/53/27/804685327.db2.gz GNZKSHLHCCYOPX-UWVGGRQHSA-N 2 0 261.316 0.736 20 30 CCEDRP N#CC1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])Cc2ccccc2C1 ZINC001221365984 804788886 /nfs/dbraw/zinc/78/88/86/804788886.db2.gz FEGOFOSXYRXIQD-AWEZNQCLSA-N 2 0 286.379 0.620 20 30 CCEDRP C(#Cc1ccccc1)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246288025 807208815 /nfs/dbraw/zinc/20/88/15/807208815.db2.gz PKWWKALVMMMTFO-HNNXBMFYSA-N 2 0 255.365 0.722 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC001246305382 807216879 /nfs/dbraw/zinc/21/68/79/807216879.db2.gz QRFPSJZRSCDKPU-RDBSUJKOSA-N 2 0 283.416 0.943 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC001246305380 807217469 /nfs/dbraw/zinc/21/74/69/807217469.db2.gz QRFPSJZRSCDKPU-MCIONIFRSA-N 2 0 283.416 0.943 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246421389 807249575 /nfs/dbraw/zinc/24/95/75/807249575.db2.gz NLHVHVHZRNTRFH-LBPRGKRZSA-N 2 0 257.341 0.137 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278528699 807565872 /nfs/dbraw/zinc/56/58/72/807565872.db2.gz IDUJCIVWOFJYAL-HIFRSBDPSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001251855343 807723920 /nfs/dbraw/zinc/72/39/20/807723920.db2.gz WIPIMWZIHYYLFE-CYBMUJFWSA-N 2 0 252.358 0.025 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001252621569 807921279 /nfs/dbraw/zinc/92/12/79/807921279.db2.gz FAXKDFRQCMBJBJ-RBSFLKMASA-N 2 0 297.443 0.892 20 30 CCEDRP N#Cc1ccc(-c2cn(CCCC[NH2+]CCC[NH3+])nn2)cn1 ZINC001254163608 808192525 /nfs/dbraw/zinc/19/25/25/808192525.db2.gz SXMTYHXREXCNSH-UHFFFAOYSA-N 2 0 299.382 0.930 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278833906 808308016 /nfs/dbraw/zinc/30/80/16/808308016.db2.gz YLNZIPIXPNTXSB-KGLIPLIRSA-N 2 0 283.416 0.313 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513693 815193736 /nfs/dbraw/zinc/19/37/36/815193736.db2.gz XJTZEFRIUYRKLU-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP N#CC1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001256960402 808572434 /nfs/dbraw/zinc/57/24/34/808572434.db2.gz XCVDIOAXLGSFPH-UHFFFAOYSA-N 2 0 270.337 0.207 20 30 CCEDRP N#Cc1ncn(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC001261177555 808920391 /nfs/dbraw/zinc/92/03/91/808920391.db2.gz WRURSSNPTIVBGO-NEPJUHHUSA-N 2 0 260.345 0.366 20 30 CCEDRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001261552602 809018408 /nfs/dbraw/zinc/01/84/08/809018408.db2.gz WRTIMWYWLRACOX-DGCLKSJQSA-N 2 0 266.389 0.983 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001263095261 809440653 /nfs/dbraw/zinc/44/06/53/809440653.db2.gz IESFOTJJLIBUDJ-ZIAGYGMSSA-N 2 0 265.401 0.693 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263850779 809587655 /nfs/dbraw/zinc/58/76/55/809587655.db2.gz ZQESIDNEVXPZEX-BETUJISGSA-N 2 0 251.374 0.753 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264430923 809656563 /nfs/dbraw/zinc/65/65/63/809656563.db2.gz RCTLZDGPYYCUAO-HDJSIYSDSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001265621036 809814874 /nfs/dbraw/zinc/81/48/74/809814874.db2.gz AZNJVDOCONIXPH-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001279847350 809998485 /nfs/dbraw/zinc/99/84/85/809998485.db2.gz NXWTXSIKRLONNM-HNNXBMFYSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083275045 811432273 /nfs/dbraw/zinc/43/22/73/811432273.db2.gz MNHBLCAWQMGTIP-QLFBSQMISA-N 2 0 293.411 0.426 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1c[nH]nc1C#N ZINC001218656583 811604054 /nfs/dbraw/zinc/60/40/54/811604054.db2.gz YALQYPROZZATJS-JTQLQIEISA-N 2 0 278.360 0.715 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267766622 811763506 /nfs/dbraw/zinc/76/35/06/811763506.db2.gz JTJBWXUKQFMRRX-KGLIPLIRSA-N 2 0 265.401 0.739 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908232 811767621 /nfs/dbraw/zinc/76/76/21/811767621.db2.gz OBWCHGLGZSXPFZ-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001267849430 811833489 /nfs/dbraw/zinc/83/34/89/811833489.db2.gz PFYZLEHFAGGJNR-GOEBONIOSA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001279273790 812316102 /nfs/dbraw/zinc/31/61/02/812316102.db2.gz KELBCNWNDRQSFT-YMAMQOFZSA-N 2 0 293.411 0.309 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028320334 812612213 /nfs/dbraw/zinc/61/22/13/812612213.db2.gz QEUZSEIRUSANCY-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001028580381 812863604 /nfs/dbraw/zinc/86/36/04/812863604.db2.gz VNSJFIRZAYUFAS-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001268879516 813130125 /nfs/dbraw/zinc/13/01/25/813130125.db2.gz RZXISONFMPGWFG-CYBMUJFWSA-N 2 0 265.401 0.952 20 30 CCEDRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC#CCOC ZINC001269409205 813361270 /nfs/dbraw/zinc/36/12/70/813361270.db2.gz XANOFPQTRJRKKF-RBSFLKMASA-N 2 0 295.427 0.461 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985354 813724878 /nfs/dbraw/zinc/72/48/78/813724878.db2.gz KKQJPELMQZQSCW-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271285811 814365216 /nfs/dbraw/zinc/36/52/16/814365216.db2.gz KGAYYJSKZWBVBH-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095351 814405609 /nfs/dbraw/zinc/40/56/09/814405609.db2.gz JKBCIGMDTWFQLE-OWCLPIDISA-N 2 0 291.439 0.986 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001075887334 814876633 /nfs/dbraw/zinc/87/66/33/814876633.db2.gz HRWQJPJELBWTFS-DZGCQCFKSA-N 2 0 275.396 0.637 20 30 CCEDRP C=C(C)CN1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030345178 815986541 /nfs/dbraw/zinc/98/65/41/815986541.db2.gz ADRFXTIFKKAEKJ-UONOGXRCSA-N 2 0 279.384 0.226 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001272461157 816448037 /nfs/dbraw/zinc/44/80/37/816448037.db2.gz LZNZPADTSSLYSJ-CABCVRRESA-N 2 0 295.427 0.197 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668948 817233723 /nfs/dbraw/zinc/23/37/23/817233723.db2.gz TXDVOISZLWXPCW-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976132 817514978 /nfs/dbraw/zinc/51/49/78/817514978.db2.gz FVVCPYRIYVNYGC-TZMCWYRMSA-N 2 0 265.401 0.808 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976131 817515155 /nfs/dbraw/zinc/51/51/55/817515155.db2.gz FVVCPYRIYVNYGC-OCCSQVGLSA-N 2 0 265.401 0.808 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106983268 817569824 /nfs/dbraw/zinc/56/98/24/817569824.db2.gz XXUAVSSNSQOCRD-HZSPNIEDSA-N 2 0 263.385 0.255 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033939426 819014086 /nfs/dbraw/zinc/01/40/86/819014086.db2.gz ALWSVXJSBSHYIA-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034489382 819220573 /nfs/dbraw/zinc/22/05/73/819220573.db2.gz BXUCKVJALLFIDJ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C#N)C[C@H]1C[NH+](C)C ZINC000706012945 819597289 /nfs/dbraw/zinc/59/72/89/819597289.db2.gz JTMXNTQPMIERQY-CHWSQXEVSA-N 2 0 280.416 0.734 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135053 820906247 /nfs/dbraw/zinc/90/62/47/820906247.db2.gz NBZQBILVXCAIFS-RBSFLKMASA-N 2 0 293.411 0.167 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328376 820936453 /nfs/dbraw/zinc/93/64/53/820936453.db2.gz QTFXVQGSLSHNDX-ZIAGYGMSSA-N 2 0 293.411 0.474 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091635 821198513 /nfs/dbraw/zinc/19/85/13/821198513.db2.gz GZZLWNXNKWBPJV-ILXRZTDVSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084406535 821289053 /nfs/dbraw/zinc/28/90/53/821289053.db2.gz RLUVWCBQDOFWGU-OAGGEKHMSA-N 2 0 289.423 0.883 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084831305 821404253 /nfs/dbraw/zinc/40/42/53/821404253.db2.gz GBCRFFVBJGGEPL-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261997 821489086 /nfs/dbraw/zinc/48/90/86/821489086.db2.gz ZYLOTJAFUCGGPA-LSDHHAIUSA-N 2 0 293.411 0.331 20 30 CCEDRP C#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085674445 821889557 /nfs/dbraw/zinc/88/95/57/821889557.db2.gz WHBIWGVHESQZMX-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090821 822109736 /nfs/dbraw/zinc/10/97/36/822109736.db2.gz SLTLZUUUWLXBPE-YIYPIFLZSA-N 2 0 263.385 0.444 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091929 822110857 /nfs/dbraw/zinc/11/08/57/822110857.db2.gz SNUFQVULSGAKHN-XGUBFFRZSA-N 2 0 293.411 0.520 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086186389 822146388 /nfs/dbraw/zinc/14/63/88/822146388.db2.gz VPUMCVDZWARCRK-XBXGTLAGSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082689 822253901 /nfs/dbraw/zinc/25/39/01/822253901.db2.gz GYSGSTJMCOKPMQ-GJZGRUSLSA-N 2 0 295.427 0.293 20 30 CCEDRP CC#CCN1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287072 822302828 /nfs/dbraw/zinc/30/28/28/822302828.db2.gz KEBKLAAEUKPBBO-INIZCTEOSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189082 837719880 /nfs/dbraw/zinc/71/98/80/837719880.db2.gz NCWUQHIPQXPLNG-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756190 836521834 /nfs/dbraw/zinc/52/18/34/836521834.db2.gz CKBITOQLLCNHRB-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157739325 837349575 /nfs/dbraw/zinc/34/95/75/837349575.db2.gz GUJRSZCQZWJJBH-RAIGVLPGSA-N 2 0 255.337 0.569 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CCn2ccnc2)CC[C@@H]1C ZINC001132221351 838340896 /nfs/dbraw/zinc/34/08/96/838340896.db2.gz GGLAIKRTWSJQLO-UONOGXRCSA-N 2 0 274.368 0.876 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277056 838351847 /nfs/dbraw/zinc/35/18/47/838351847.db2.gz ANNFHPRSJIELML-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983525 838529830 /nfs/dbraw/zinc/52/98/30/838529830.db2.gz ATDYHLNFWKXBHH-UHFFFAOYSA-N 2 0 293.367 0.310 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245528 838582982 /nfs/dbraw/zinc/58/29/82/838582982.db2.gz GNONZSDOQZIURB-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134608115 839025774 /nfs/dbraw/zinc/02/57/74/839025774.db2.gz QXIPEZNFXGRITM-CHWSQXEVSA-N 2 0 265.401 0.977 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135096025 839160023 /nfs/dbraw/zinc/16/00/23/839160023.db2.gz ZAVKAYTXHDGZLG-LSDHHAIUSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135743592 839387058 /nfs/dbraw/zinc/38/70/58/839387058.db2.gz MSPBIRXUDGMNTJ-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923043 839472729 /nfs/dbraw/zinc/47/27/29/839472729.db2.gz GIKZBSICHKWASG-QWHCGFSZSA-N 2 0 269.389 0.071 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185660191 844443480 /nfs/dbraw/zinc/44/34/80/844443480.db2.gz ZVSRFIUBMRIMKS-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP N#Cc1cc2cccnc2nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899080 839546101 /nfs/dbraw/zinc/54/61/01/839546101.db2.gz WZHDBBVQCCLQJA-NSHDSACASA-N 2 0 256.313 0.937 20 30 CCEDRP N#Cc1nc(Br)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170901005 839549464 /nfs/dbraw/zinc/54/94/64/839549464.db2.gz SXCWVBYWBWKBNC-MRVPVSSYSA-N 2 0 285.149 0.546 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537687 839625510 /nfs/dbraw/zinc/62/55/10/839625510.db2.gz MYUJVRNROFCOJJ-HUUCEWRRSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCOC1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246571838 840072165 /nfs/dbraw/zinc/07/21/65/840072165.db2.gz XFGSNSXAQCAWFX-NWINJMCUSA-N 2 0 254.374 0.894 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593020 840329671 /nfs/dbraw/zinc/32/96/71/840329671.db2.gz MLMXSOGYUHAULO-GJZGRUSLSA-N 2 0 297.443 0.849 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365699 840793973 /nfs/dbraw/zinc/79/39/73/840793973.db2.gz XEFBZCVOKYZEPF-ZDUSSCGKSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737100 840868404 /nfs/dbraw/zinc/86/84/04/840868404.db2.gz BTBYBFXBXHWRHB-VYDXJSESSA-N 2 0 289.423 0.740 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899992 840958316 /nfs/dbraw/zinc/95/83/16/840958316.db2.gz ZOEYTBQCBJZBOP-ZIAGYGMSSA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521721 841032968 /nfs/dbraw/zinc/03/29/68/841032968.db2.gz CDHFHGIBEXNDEE-RBSFLKMASA-N 2 0 295.427 0.577 20 30 CCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C#N ZINC001186977881 844631270 /nfs/dbraw/zinc/63/12/70/844631270.db2.gz WRBMCFOVOVINJQ-ZIAGYGMSSA-N 2 0 280.416 0.878 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC=C)CC1 ZINC001176926083 842453280 /nfs/dbraw/zinc/45/32/80/842453280.db2.gz FXCMLSNWTNBDQJ-UHFFFAOYSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCC)CC1 ZINC001176926842 842453586 /nfs/dbraw/zinc/45/35/86/842453586.db2.gz XHZXEPGZQMFQQF-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676395 843884632 /nfs/dbraw/zinc/88/46/32/843884632.db2.gz LFNRQOVZZMLLIN-RBSFLKMASA-N 2 0 293.411 0.167 20 30 CCEDRP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820014 845217831 /nfs/dbraw/zinc/21/78/31/845217831.db2.gz KHMUMBPZWWDIOG-LSDHHAIUSA-N 2 0 295.427 0.673 20 30 CCEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238768 845372158 /nfs/dbraw/zinc/37/21/58/845372158.db2.gz PTUNYCYUIBQVDH-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144188 845797940 /nfs/dbraw/zinc/79/79/40/845797940.db2.gz RYMJKYCWLVXKHX-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193460373 846081151 /nfs/dbraw/zinc/08/11/51/846081151.db2.gz BHIXZFPVBUMEMJ-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955476 847009698 /nfs/dbraw/zinc/00/96/98/847009698.db2.gz NGFHUCMJYYYHST-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199128711 847226821 /nfs/dbraw/zinc/22/68/21/847226821.db2.gz SMANOGWKEXPCQG-KFWWJZLASA-N 2 0 295.427 0.454 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796050 847694083 /nfs/dbraw/zinc/69/40/83/847694083.db2.gz RQOOXRDZCYWFOO-UONOGXRCSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114464927 848074562 /nfs/dbraw/zinc/07/45/62/848074562.db2.gz ZMUPJQURLVMTRY-BARDWOONSA-N 2 0 295.427 0.576 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274762618 848562051 /nfs/dbraw/zinc/56/20/51/848562051.db2.gz ABUXMGKVIQOKGK-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001274985835 848608660 /nfs/dbraw/zinc/60/86/60/848608660.db2.gz HLHIUSZCPLYGET-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CC#CCOC ZINC001275976942 848879837 /nfs/dbraw/zinc/87/98/37/848879837.db2.gz KIUKRJRUEWZQPA-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114798349 849396191 /nfs/dbraw/zinc/39/61/91/849396191.db2.gz BXPCJIZDJQPDPX-ZOBORPQBSA-N 2 0 265.401 0.805 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038663182 849973597 /nfs/dbraw/zinc/97/35/97/849973597.db2.gz MPDJWNFRVGBCIT-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038925741 850087048 /nfs/dbraw/zinc/08/70/48/850087048.db2.gz KUDRMYHVLJJNEQ-ZDUSSCGKSA-N 2 0 261.369 0.296 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041831672 850510576 /nfs/dbraw/zinc/51/05/76/850510576.db2.gz PDWVZCPMPKETKL-DOTOQJQBSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046772638 851609830 /nfs/dbraw/zinc/60/98/30/851609830.db2.gz GUHXCBGPTIFZNT-AWEZNQCLSA-N 2 0 263.385 0.849 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047626912 851839485 /nfs/dbraw/zinc/83/94/85/851839485.db2.gz IMEIZCRYPDKEBL-KBPBESRZSA-N 2 0 281.400 0.162 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058489 852149843 /nfs/dbraw/zinc/14/98/43/852149843.db2.gz DXVCQTQQFACKQZ-SOUVJXGZSA-N 2 0 277.412 0.904 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052934114 852672724 /nfs/dbraw/zinc/67/27/24/852672724.db2.gz IBWNAGVJSLYUKM-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001050153267 853325031 /nfs/dbraw/zinc/32/50/31/853325031.db2.gz MCPGATCIDLGDKT-GXTWGEPZSA-N 2 0 272.352 0.508 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201132 853335121 /nfs/dbraw/zinc/33/51/21/853335121.db2.gz ANLPBLAOEZXVPO-ARFHVFGLSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664016 853409528 /nfs/dbraw/zinc/40/95/28/853409528.db2.gz JUKULNUDMVPOLK-LSDHHAIUSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073125633 854533048 /nfs/dbraw/zinc/53/30/48/854533048.db2.gz CRLOBBAHUFNMJM-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073553873 854591695 /nfs/dbraw/zinc/59/16/95/854591695.db2.gz AXBLZVBKOXZOAE-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074561550 854747588 /nfs/dbraw/zinc/74/75/88/854747588.db2.gz DKRWQTDRVFVCLB-AVGNSLFASA-N 2 0 251.374 0.846 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100047833 855085323 /nfs/dbraw/zinc/08/53/23/855085323.db2.gz BMXJCWMLCKQHDU-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131998 855103841 /nfs/dbraw/zinc/10/38/41/855103841.db2.gz LWDUKDYPDPIWKJ-STQMWFEESA-N 2 0 269.389 0.064 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC1CC([NH2+]CC#CC)C1 ZINC001100415364 855163347 /nfs/dbraw/zinc/16/33/47/855163347.db2.gz MLDJNIJQZAGGCU-GPANFISMSA-N 2 0 287.407 0.592 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001100447236 855171173 /nfs/dbraw/zinc/17/11/73/855171173.db2.gz UGWRXEZQKRICNL-YMAMQOFZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862700 855600568 /nfs/dbraw/zinc/60/05/68/855600568.db2.gz ZIHJYSQXPHFRQB-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC001118335941 856265936 /nfs/dbraw/zinc/26/59/36/856265936.db2.gz YDTYFTNHHBMKNA-DLUIAHABSA-N 2 0 278.356 0.372 20 30 CCEDRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001120472759 857081376 /nfs/dbraw/zinc/08/13/76/857081376.db2.gz SGBRJKFGLQSXMU-OAHLLOKOSA-N 2 0 294.443 0.658 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001323543498 912403686 /nfs/dbraw/zinc/40/36/86/912403686.db2.gz ZAJKTIKZUKTYFC-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001324260367 912747013 /nfs/dbraw/zinc/74/70/13/912747013.db2.gz IAXJHDDWFIYPPB-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325307371 913330588 /nfs/dbraw/zinc/33/05/88/913330588.db2.gz DEPQURAVEKVUCC-KBPBESRZSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325435229 913403945 /nfs/dbraw/zinc/40/39/45/913403945.db2.gz DEODUUBYTLDPDZ-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481016194 892059715 /nfs/dbraw/zinc/05/97/15/892059715.db2.gz FLNDFAQDJXVPQP-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)CCCC[NH+](C)C ZINC001482353668 893907815 /nfs/dbraw/zinc/90/78/15/893907815.db2.gz FAPUFTNNTGINCU-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482569834 894255008 /nfs/dbraw/zinc/25/50/08/894255008.db2.gz HIMRLNSIWGZCFS-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001326301212 913877458 /nfs/dbraw/zinc/87/74/58/913877458.db2.gz ATRHHWVVBZZSQB-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483700545 895881261 /nfs/dbraw/zinc/88/12/61/895881261.db2.gz CNDUDLQRCHCUQY-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001483924760 896117979 /nfs/dbraw/zinc/11/79/79/896117979.db2.gz LKMFHNOAXBUANN-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCOCC1 ZINC001484187027 896224198 /nfs/dbraw/zinc/22/41/98/896224198.db2.gz PNZIRCZIEZPCTI-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484550189 896468044 /nfs/dbraw/zinc/46/80/44/896468044.db2.gz QYDFYPPTNLSETQ-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485100795 896772862 /nfs/dbraw/zinc/77/28/62/896772862.db2.gz JSXBIUABUXZIPE-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC001326747698 914133951 /nfs/dbraw/zinc/13/39/51/914133951.db2.gz DUHOPJPHOAYIRN-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485827790 897475008 /nfs/dbraw/zinc/47/50/08/897475008.db2.gz REXPPMJGNQZCLV-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485943724 898531356 /nfs/dbraw/zinc/53/13/56/898531356.db2.gz CSUSNYRIVXLLGQ-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486126887 898687010 /nfs/dbraw/zinc/68/70/10/898687010.db2.gz DWWJZXDIMSBAOT-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127634 898688481 /nfs/dbraw/zinc/68/84/81/898688481.db2.gz JAEFIKAZYHNHCS-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001486519080 898920959 /nfs/dbraw/zinc/92/09/59/898920959.db2.gz GXBHYEXKEFFDHT-OAHLLOKOSA-N 2 0 277.412 0.954 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001327033956 914325276 /nfs/dbraw/zinc/32/52/76/914325276.db2.gz GVZCLULOCBDTST-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390685 900012134 /nfs/dbraw/zinc/01/21/34/900012134.db2.gz SYRVHAOTZNVGBQ-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765783 900041071 /nfs/dbraw/zinc/04/10/71/900041071.db2.gz HJPPEIIBTXCHHN-ZIAGYGMSSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001488835227 900401737 /nfs/dbraw/zinc/40/17/37/900401737.db2.gz VSHNMEVPTNVSEY-JHJVBQTASA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001490742553 900716315 /nfs/dbraw/zinc/71/63/15/900716315.db2.gz QAVRFNGEAOZAAA-AWEZNQCLSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001492866342 914479039 /nfs/dbraw/zinc/47/90/39/914479039.db2.gz GXBJGFPBVBMYSJ-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001321231681 900967461 /nfs/dbraw/zinc/96/74/61/900967461.db2.gz HRNNJACVVLIFPZ-QIAWRQBBSA-N 2 0 265.401 0.858 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491132964 903395228 /nfs/dbraw/zinc/39/52/28/903395228.db2.gz IAYZNXKZOLMMTA-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C12CCC2 ZINC001203319320 903776529 /nfs/dbraw/zinc/77/65/29/903776529.db2.gz ZUOHAMDPGFUQJL-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001331837973 904017973 /nfs/dbraw/zinc/01/79/73/904017973.db2.gz NXAWQSKPUUKGBJ-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281459078 904287437 /nfs/dbraw/zinc/28/74/37/904287437.db2.gz SQSSBNMTFLPUDX-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001332634664 904542326 /nfs/dbraw/zinc/54/23/26/904542326.db2.gz SBVFHEUXKPIXBU-GJZGRUSLSA-N 2 0 297.443 0.796 20 30 CCEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001282993413 904659567 /nfs/dbraw/zinc/65/95/67/904659567.db2.gz XSQWLWLRWAFYRD-IYBDPMFKSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001283554520 904907106 /nfs/dbraw/zinc/90/71/06/904907106.db2.gz RJOALZGYDOOIOS-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001284479725 905316220 /nfs/dbraw/zinc/31/62/20/905316220.db2.gz ZMHUYRAFPUNFMU-LSDHHAIUSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001284788243 905432505 /nfs/dbraw/zinc/43/25/05/905432505.db2.gz ZTLLPCZKYUPHGG-UHFFFAOYSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC001292114018 906193513 /nfs/dbraw/zinc/19/35/13/906193513.db2.gz NOYDJMNRAVOOBL-UHFFFAOYSA-N 2 0 266.389 0.798 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC001295283989 906704908 /nfs/dbraw/zinc/70/49/08/906704908.db2.gz NIJOXNTUJCLLJE-RBSFLKMASA-N 2 0 295.427 0.814 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491829801 907596822 /nfs/dbraw/zinc/59/68/22/907596822.db2.gz RNQOZYRPXDMTKM-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491812112 907615746 /nfs/dbraw/zinc/61/57/46/907615746.db2.gz ISSHXXGNIJGGIS-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491958373 907652637 /nfs/dbraw/zinc/65/26/37/907652637.db2.gz CJVCXNXUZKKFFW-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382392798 907709699 /nfs/dbraw/zinc/70/96/99/907709699.db2.gz VTLSXVNQWXJPCT-VXGBXAGGSA-N 2 0 289.807 0.242 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317527387 908595234 /nfs/dbraw/zinc/59/52/34/908595234.db2.gz CUNXZATYDVYHKR-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001316749426 908677678 /nfs/dbraw/zinc/67/76/78/908677678.db2.gz UBMYWUOJSITOCO-GJZGRUSLSA-N 2 0 295.427 0.409 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001316790284 908771950 /nfs/dbraw/zinc/77/19/50/908771950.db2.gz AMCVKTKLCMZWGH-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316987559 908898516 /nfs/dbraw/zinc/89/85/16/908898516.db2.gz TZEHBTVNRMHMIK-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317483758 909254633 /nfs/dbraw/zinc/25/46/33/909254633.db2.gz KDQIDAKWGASPNR-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001338488343 921483284 /nfs/dbraw/zinc/48/32/84/921483284.db2.gz LHHRMRGTWARASB-HNNXBMFYSA-N 2 0 264.344 0.884 20 30 CCEDRP C#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001317557260 909331179 /nfs/dbraw/zinc/33/11/79/909331179.db2.gz YXKJBZZHCHIMQP-CQSZACIVSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319190008 910025606 /nfs/dbraw/zinc/02/56/06/910025606.db2.gz QZBYKNOVZNVZPJ-ZFWWWQNUSA-N 2 0 277.412 0.693 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319268733 910062509 /nfs/dbraw/zinc/06/25/09/910062509.db2.gz FBZUQUYINBSOMI-LSDHHAIUSA-N 2 0 295.427 0.320 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319561121 910202810 /nfs/dbraw/zinc/20/28/10/910202810.db2.gz TUROKVLEADJBSI-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319560946 910206116 /nfs/dbraw/zinc/20/61/16/910206116.db2.gz QNRCHGMBJXDPIL-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001320109619 910466289 /nfs/dbraw/zinc/46/62/89/910466289.db2.gz DHFMDBPHFUZGOK-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320269929 910567928 /nfs/dbraw/zinc/56/79/28/910567928.db2.gz DPPPFZWOIXQJLF-DZGCQCFKSA-N 2 0 297.443 0.750 20 30 CCEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CN(C)CCO1 ZINC001321010709 911011286 /nfs/dbraw/zinc/01/12/86/911011286.db2.gz AYEPUAFJRQLFRB-URWSZGRFSA-N 2 0 267.373 0.155 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321627880 911406557 /nfs/dbraw/zinc/40/65/57/911406557.db2.gz MZWNUAOWLLTUKP-GFCCVEGCSA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001392377990 911770296 /nfs/dbraw/zinc/77/02/96/911770296.db2.gz VFVSNTCUAYLCSP-LLVKDONJSA-N 2 0 289.807 0.290 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329051788 915627886 /nfs/dbraw/zinc/62/78/86/915627886.db2.gz CQXGAWWFMTUGNZ-QWHCGFSZSA-N 2 0 265.401 0.977 20 30 CCEDRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOCC1 ZINC001329271517 915783909 /nfs/dbraw/zinc/78/39/09/915783909.db2.gz DDIIGHVAQKJMGQ-LBPRGKRZSA-N 2 0 282.388 0.235 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001330330592 916558208 /nfs/dbraw/zinc/55/82/08/916558208.db2.gz WUPQPDGUWMSSHJ-ZSOGYDGISA-N 2 0 263.385 0.255 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001330423536 916624924 /nfs/dbraw/zinc/62/49/24/916624924.db2.gz AJWODESCIWCYOW-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001330445105 916635146 /nfs/dbraw/zinc/63/51/46/916635146.db2.gz JMVUXQJQKBHLOU-UONOGXRCSA-N 2 0 281.400 0.165 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331437614 917333267 /nfs/dbraw/zinc/33/32/67/917333267.db2.gz BQGFNPYBIVODBS-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP C[C@@H](CCCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331967748 917767233 /nfs/dbraw/zinc/76/72/33/917767233.db2.gz BQJHHBNNEDMIHL-OYNVLQORSA-N 2 0 278.400 0.759 20 30 CCEDRP C#CC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001332736134 918410718 /nfs/dbraw/zinc/41/07/18/918410718.db2.gz WJXYWWKKXXFBGT-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP CCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001333253978 918754611 /nfs/dbraw/zinc/75/46/11/918754611.db2.gz JSIAPKFRVCBSKH-NSHDSACASA-N 2 0 252.362 0.737 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[C@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC001340527555 922111851 /nfs/dbraw/zinc/11/18/51/922111851.db2.gz PSQQKRZTFWSXKQ-GXTWGEPZSA-N 2 0 283.441 0.896 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001340882576 922256951 /nfs/dbraw/zinc/25/69/51/922256951.db2.gz XTKFRZZCIPELFC-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001340959006 922293022 /nfs/dbraw/zinc/29/30/22/922293022.db2.gz LQXKSROJOMTAAT-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC001341556302 922549924 /nfs/dbraw/zinc/54/99/24/922549924.db2.gz YXPMEGIOCZBTCJ-UHFFFAOYSA-N 2 0 285.391 0.774 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341845828 922692397 /nfs/dbraw/zinc/69/23/97/922692397.db2.gz SPUXYLYXXOTCQR-VXGBXAGGSA-N 2 0 255.362 0.246 20 30 CCEDRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001342999081 923159593 /nfs/dbraw/zinc/15/95/93/923159593.db2.gz BOLUCHYHMZHVPC-MJBXVCDLSA-N 2 0 261.369 0.328 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC001353883044 925952239 /nfs/dbraw/zinc/95/22/39/925952239.db2.gz RMMQWDRISAABLN-AWEZNQCLSA-N 2 0 259.353 0.806 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC001357497947 926550983 /nfs/dbraw/zinc/55/09/83/926550983.db2.gz HJNMEJQWAXLDJK-UHFFFAOYSA-N 2 0 274.368 0.195 20 30 CCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CCCCCC1 ZINC000092278686 349487978 /nfs/dbraw/zinc/48/79/78/349487978.db2.gz SJYHKPXMEAHHTL-CQSZACIVSA-N 2 0 279.432 0.613 20 30 CCEDRP N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600738538 362050739 /nfs/dbraw/zinc/05/07/39/362050739.db2.gz LAFFTXIYEXJESD-OLZOCXBDSA-N 2 0 267.373 0.087 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[C@H]1O ZINC000352666960 529823092 /nfs/dbraw/zinc/82/30/92/529823092.db2.gz IQSPPCXKVPKATN-FPCVCCKLSA-N 2 0 280.412 0.680 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000783531160 581348593 /nfs/dbraw/zinc/34/85/93/581348593.db2.gz HITWELPUCHQUMZ-GFCCVEGCSA-N 2 0 274.430 0.907 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000602532460 362661300 /nfs/dbraw/zinc/66/13/00/362661300.db2.gz XRXNNCYUWUGRPP-QWHCGFSZSA-N 2 0 266.389 0.854 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602582371 362690888 /nfs/dbraw/zinc/69/08/88/362690888.db2.gz XOHMPKJEFPXVQO-NWDGAFQWSA-N 2 0 252.362 0.737 20 30 CCEDRP CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000226059822 352018430 /nfs/dbraw/zinc/01/84/30/352018430.db2.gz VNKGFYBSJJRZIH-LSDHHAIUSA-N 2 0 289.379 0.982 20 30 CCEDRP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436623 360306059 /nfs/dbraw/zinc/30/60/59/360306059.db2.gz FAPSBCWWSCSQGO-LBPRGKRZSA-N 2 0 254.378 0.854 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594437436 360306268 /nfs/dbraw/zinc/30/62/68/360306268.db2.gz JSXGEXWYGIZPGO-KGLIPLIRSA-N 2 0 278.400 0.998 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000594427882 360302438 /nfs/dbraw/zinc/30/24/38/360302438.db2.gz WKDQXIGQUVMTEW-FRRDWIJNSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438741 360307486 /nfs/dbraw/zinc/30/74/86/360307486.db2.gz LDRZYSGNFBHAOF-UTUOFQBUSA-N 2 0 252.362 0.512 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000594440227 360308206 /nfs/dbraw/zinc/30/82/06/360308206.db2.gz AEZYYVCEMLFAQN-AWEZNQCLSA-N 2 0 296.415 0.626 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]1[NH3+] ZINC000594441490 360310347 /nfs/dbraw/zinc/31/03/47/360310347.db2.gz JJKXDFCKRNTDSF-UPJWGTAASA-N 2 0 266.389 0.983 20 30 CCEDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443913 360311840 /nfs/dbraw/zinc/31/18/40/360311840.db2.gz ITRJLKKYOGIWPN-SRVKXCTJSA-N 2 0 270.352 0.556 20 30 CCEDRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCC[NH2+]1 ZINC000594443694 360311909 /nfs/dbraw/zinc/31/19/09/360311909.db2.gz HVHPOVHRMKNDBP-JSGCOSHPSA-N 2 0 282.388 0.282 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C[NH3+])C1 ZINC000595257916 360462267 /nfs/dbraw/zinc/46/22/67/360462267.db2.gz CNBWWGZVOPMMFO-AGIUHOORSA-N 2 0 266.389 0.983 20 30 CCEDRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000595946091 360724404 /nfs/dbraw/zinc/72/44/04/360724404.db2.gz BIDGLKCTOMXMCF-VXGBXAGGSA-N 2 0 254.378 0.887 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626970093 368701805 /nfs/dbraw/zinc/70/18/05/368701805.db2.gz GJOHGKWHAZHKAI-GFCCVEGCSA-N 2 0 252.362 0.298 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246736189 389231842 /nfs/dbraw/zinc/23/18/42/389231842.db2.gz MMDUXUNGJASHCZ-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(C)C ZINC000262373638 389286102 /nfs/dbraw/zinc/28/61/02/389286102.db2.gz KIWMCAVPRIZWHO-RRFJBIMHSA-N 2 0 295.427 0.524 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CC[N@H+](C)C1 ZINC000264068505 389304632 /nfs/dbraw/zinc/30/46/32/389304632.db2.gz RIHDTSWMQODPMB-LLVKDONJSA-N 2 0 250.346 0.896 20 30 CCEDRP CNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264075533 389304861 /nfs/dbraw/zinc/30/48/61/389304861.db2.gz FNDZVIDZTDKNGY-HNNXBMFYSA-N 2 0 289.427 0.899 20 30 CCEDRP C[C@H]1C[C@@H](O)CC[NH+]1CC#CC[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429166138 389742371 /nfs/dbraw/zinc/74/23/71/389742371.db2.gz UHCRXOQXBSMPPO-VGWMRTNUSA-N 2 0 280.412 0.680 20 30 CCEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000442796269 389863106 /nfs/dbraw/zinc/86/31/06/389863106.db2.gz VTCAPWJNZUUELF-HZSPNIEDSA-N 2 0 278.400 0.856 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345700 389987412 /nfs/dbraw/zinc/98/74/12/389987412.db2.gz WKTWWGILBLOONT-STQMWFEESA-N 2 0 294.399 0.320 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000491325946 390111893 /nfs/dbraw/zinc/11/18/93/390111893.db2.gz IJCQOSBNDPZIHO-UHFFFAOYSA-N 2 0 266.389 0.335 20 30 CCEDRP C=CC[C@@H](CC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563003316 390492218 /nfs/dbraw/zinc/49/22/18/390492218.db2.gz QPGJFZHHPAZCKL-KGLIPLIRSA-N 2 0 255.406 0.539 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649323748 390582050 /nfs/dbraw/zinc/58/20/50/390582050.db2.gz WNZZLMGIAQNKGM-UHFFFAOYSA-N 2 0 267.373 0.132 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529305007 390803200 /nfs/dbraw/zinc/80/32/00/390803200.db2.gz HFCSKBRDYYPGQD-CQSZACIVSA-N 2 0 296.415 0.315 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361104 412037861 /nfs/dbraw/zinc/03/78/61/412037861.db2.gz YKGIBQLMGCBCCF-MJBXVCDLSA-N 2 0 281.400 0.649 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754801 414762446 /nfs/dbraw/zinc/76/24/46/414762446.db2.gz ANYBZDQNACRLQO-HOCLYGCPSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC[NH2+]1 ZINC000662772774 414778638 /nfs/dbraw/zinc/77/86/38/414778638.db2.gz QTRLNRGXEWRXOX-GZBFAFLISA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCC[NH2+]1 ZINC000662780797 414786333 /nfs/dbraw/zinc/78/63/33/414786333.db2.gz UCUQVSRFBHREIQ-WFASDCNBSA-N 2 0 263.385 0.943 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000662831255 414824006 /nfs/dbraw/zinc/82/40/06/414824006.db2.gz XMBCLFHMXUQYDH-AWEZNQCLSA-N 2 0 251.374 0.930 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665275193 415583442 /nfs/dbraw/zinc/58/34/42/415583442.db2.gz FANQAUWDUGCQQV-MGPQQGTHSA-N 2 0 254.374 0.936 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000329809029 545026771 /nfs/dbraw/zinc/02/67/71/545026771.db2.gz PSZVEGCRXXVESM-MCIONIFRSA-N 2 0 297.447 0.219 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](CO)CC(C)C)CC1 ZINC000491021309 261300094 /nfs/dbraw/zinc/30/00/94/261300094.db2.gz LOMZUHRKFGSBGT-HNNXBMFYSA-N 2 0 295.427 0.103 20 30 CCEDRP CNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264084026 262866950 /nfs/dbraw/zinc/86/69/50/262866950.db2.gz IKAKUIAKGNOKIF-UHFFFAOYSA-N 2 0 277.372 0.012 20 30 CCEDRP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)C2)C1 ZINC000341878167 263362347 /nfs/dbraw/zinc/36/23/47/263362347.db2.gz SZDXMZKKCAIJBJ-OKILXGFUSA-N 2 0 252.358 0.431 20 30 CCEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000125841048 264070819 /nfs/dbraw/zinc/07/08/19/264070819.db2.gz AUDATBYTYOANDJ-STQMWFEESA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357082292 266244964 /nfs/dbraw/zinc/24/49/64/266244964.db2.gz HOWHHJLACQFPQG-ZDUSSCGKSA-N 2 0 294.399 0.320 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000262373637 277852374 /nfs/dbraw/zinc/85/23/74/277852374.db2.gz KIWMCAVPRIZWHO-RBSFLKMASA-N 2 0 295.427 0.524 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262471196 330015573 /nfs/dbraw/zinc/01/55/73/330015573.db2.gz OGSRZZJPPRMMTA-QWHCGFSZSA-N 2 0 290.415 0.587 20 30 CCEDRP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1CCN(C2CC2)C1 ZINC000262773539 330030608 /nfs/dbraw/zinc/03/06/08/330030608.db2.gz KKBUZMFVJHDJOV-LBPRGKRZSA-N 2 0 276.388 0.620 20 30 CCEDRP CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[NH2+]C1 ZINC000424078896 330221364 /nfs/dbraw/zinc/22/13/64/330221364.db2.gz QPLHEAKEBYQCSK-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424134290 330266534 /nfs/dbraw/zinc/26/65/34/330266534.db2.gz NHNPZAZJOIKFLT-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424137135 330273829 /nfs/dbraw/zinc/27/38/29/330273829.db2.gz OLXBAGKXIMTOQP-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000424162095 330307369 /nfs/dbraw/zinc/30/73/69/330307369.db2.gz ZFUBGPRBZIJFJF-NEPJUHHUSA-N 2 0 250.346 0.360 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000490614938 332095593 /nfs/dbraw/zinc/09/55/93/332095593.db2.gz CHJGRBMFEODDCF-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000491166887 332160354 /nfs/dbraw/zinc/16/03/54/332160354.db2.gz VCCKCWVLKGZDGC-HNNXBMFYSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000491486476 332220974 /nfs/dbraw/zinc/22/09/74/332220974.db2.gz WMODNRGQMHQYAP-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000491486477 332221034 /nfs/dbraw/zinc/22/10/34/332221034.db2.gz WMODNRGQMHQYAP-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000491505747 332225067 /nfs/dbraw/zinc/22/50/67/332225067.db2.gz MTXBJMBSCMCYBK-GFCCVEGCSA-N 2 0 252.362 0.074 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000491515572 332227205 /nfs/dbraw/zinc/22/72/05/332227205.db2.gz OHICQZNJQMOLSF-YIONKMFJSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000491615180 332242758 /nfs/dbraw/zinc/24/27/58/332242758.db2.gz BRQICBQHYYWKBF-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000491626664 332250393 /nfs/dbraw/zinc/25/03/93/332250393.db2.gz LPUMMGAMACZOGC-CYBMUJFWSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000491767654 332335263 /nfs/dbraw/zinc/33/52/63/332335263.db2.gz JAHGCEPIYUAGJC-LBPRGKRZSA-N 2 0 252.362 0.234 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](CC)CCO)CC1 ZINC000187260170 333169083 /nfs/dbraw/zinc/16/90/83/333169083.db2.gz GGZZNYZKOSKWNE-UHFFFAOYSA-N 2 0 298.431 0.250 20 30 CCEDRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000521994505 333229515 /nfs/dbraw/zinc/22/95/15/333229515.db2.gz AYJQEEPEFAXIQA-INIZCTEOSA-N 2 0 296.459 0.904 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000565254407 334548313 /nfs/dbraw/zinc/54/83/13/334548313.db2.gz NRGATMYWIRHCFV-UHFFFAOYSA-N 2 0 254.378 0.627 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000581487185 336087940 /nfs/dbraw/zinc/08/79/40/336087940.db2.gz XSANDQXHVHBWCT-DGCLKSJQSA-N 2 0 251.374 0.751 20 30 CCEDRP C[NH+]=C(NCC(=O)NC(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000114090181 526346839 /nfs/dbraw/zinc/34/68/39/526346839.db2.gz VGNDMCKKBKXBMU-UHFFFAOYSA-N 2 0 297.447 0.549 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000334905484 526429281 /nfs/dbraw/zinc/42/92/81/526429281.db2.gz BFLYUMHNJNVIJY-GFCCVEGCSA-N 2 0 266.389 0.640 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668368513 545175339 /nfs/dbraw/zinc/17/53/39/545175339.db2.gz ASZXXMCCOCVZDU-UHFFFAOYSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000764287488 582041255 /nfs/dbraw/zinc/04/12/55/582041255.db2.gz GXMJPUJVICFSGI-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000764287487 582041339 /nfs/dbraw/zinc/04/13/39/582041339.db2.gz GXMJPUJVICFSGI-QWHCGFSZSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000764440256 582046888 /nfs/dbraw/zinc/04/68/88/582046888.db2.gz AMYAGCNDDFNNIH-UHFFFAOYSA-N 2 0 269.389 0.331 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000764471689 582049383 /nfs/dbraw/zinc/04/93/83/582049383.db2.gz MCYUEWFPTVNLSF-CYBMUJFWSA-N 2 0 251.374 0.801 20 30 CCEDRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852798373 617178245 /nfs/dbraw/zinc/17/82/45/617178245.db2.gz JHXWLCCLANMIIH-OCCSQVGLSA-N 2 0 263.385 0.575 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000964851436 612954158 /nfs/dbraw/zinc/95/41/58/612954158.db2.gz DWBAZFOMWZJUPA-UHFFFAOYSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861635032 613076886 /nfs/dbraw/zinc/07/68/86/613076886.db2.gz XNTNRZBOPTWXON-ZDUSSCGKSA-N 2 0 278.400 0.525 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969969915 612994110 /nfs/dbraw/zinc/99/41/10/612994110.db2.gz QFBITMBTUDGNES-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000981957901 613002393 /nfs/dbraw/zinc/00/23/93/613002393.db2.gz ZLFMNMJYUITLLN-OAHLLOKOSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978344815 613041590 /nfs/dbraw/zinc/04/15/90/613041590.db2.gz GFTTWCFYXHKGMG-LVQVYYBASA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC#C)CC1 ZINC000962759604 613042842 /nfs/dbraw/zinc/04/28/42/613042842.db2.gz CDJNCRICRGLPLM-FVQHAEBGSA-N 2 0 299.418 0.401 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883668164 613075790 /nfs/dbraw/zinc/07/57/90/613075790.db2.gz PCHTWCJPYQZGTM-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891921765 613076489 /nfs/dbraw/zinc/07/64/89/613076489.db2.gz VEFOGZIBYVHYES-HDJSIYSDSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891920662 613076626 /nfs/dbraw/zinc/07/66/26/613076626.db2.gz CGMHKQZNYDBYAP-HIFRSBDPSA-N 2 0 278.400 0.525 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000908436632 613077693 /nfs/dbraw/zinc/07/76/93/613077693.db2.gz TWNJTMFXSAFHBD-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000928648860 613133450 /nfs/dbraw/zinc/13/34/50/613133450.db2.gz SPKXKSLTSLXNOY-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925357635 613135406 /nfs/dbraw/zinc/13/54/06/613135406.db2.gz WUUCTYOCZMLXRK-OCCSQVGLSA-N 2 0 278.400 0.476 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000928652785 613136898 /nfs/dbraw/zinc/13/68/98/613136898.db2.gz MMDMINOKOMRCBL-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819340399 613194312 /nfs/dbraw/zinc/19/43/12/613194312.db2.gz XTCZMQGVJZREKK-KRWDZBQOSA-N 2 0 287.407 0.366 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944942505 613258676 /nfs/dbraw/zinc/25/86/76/613258676.db2.gz AEYVGVNUWSDNEC-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982798753 613293338 /nfs/dbraw/zinc/29/33/38/613293338.db2.gz NRMLIOFFKRIXNI-BHYGNILZSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584011 613298976 /nfs/dbraw/zinc/29/89/76/613298976.db2.gz CBFDUIGBOXBZOS-GJZGRUSLSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC000978235354 613307734 /nfs/dbraw/zinc/30/77/34/613307734.db2.gz VAYXGFFTKROCHD-JONQDZQNSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959970642 613315724 /nfs/dbraw/zinc/31/57/24/613315724.db2.gz BOQUIBWLFOQILM-POQQGIQPSA-N 2 0 261.369 0.006 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000869762772 613365786 /nfs/dbraw/zinc/36/57/86/613365786.db2.gz OGVGLUVUZYVPDD-UHFFFAOYSA-N 2 0 297.443 0.921 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000834563868 613365997 /nfs/dbraw/zinc/36/59/97/613365997.db2.gz GYBYHDAKBMUPBX-CQSZACIVSA-N 2 0 269.389 0.019 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346670 613366638 /nfs/dbraw/zinc/36/66/38/613366638.db2.gz ISOQRGCGVMVUHI-AWEZNQCLSA-N 2 0 284.448 0.492 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000876856466 613389533 /nfs/dbraw/zinc/38/95/33/613389533.db2.gz FUUGMVLPOWNPKG-OUAUKWLOSA-N 2 0 257.765 0.667 20 30 CCEDRP C=C1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000905570579 613414124 /nfs/dbraw/zinc/41/41/24/613414124.db2.gz ZAUVZZJJKJNHCO-MRXNPFEDSA-N 2 0 281.444 0.931 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC000852880493 613423023 /nfs/dbraw/zinc/42/30/23/613423023.db2.gz AQGKBQYWWCEAJP-ZYHUDNBSSA-N 2 0 273.327 0.798 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000911880671 613472940 /nfs/dbraw/zinc/47/29/40/613472940.db2.gz ADOOLAFDGLFCLY-GRYCIOLGSA-N 2 0 255.362 0.245 20 30 CCEDRP CC#CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000801145329 613516642 /nfs/dbraw/zinc/51/66/42/613516642.db2.gz QOWFMDWMYWSRBA-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969971103 613536445 /nfs/dbraw/zinc/53/64/45/613536445.db2.gz WVVCLUTYPCYHMZ-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000981960712 613551548 /nfs/dbraw/zinc/55/15/48/613551548.db2.gz XGUUTMZRGDPXLZ-HUUCEWRRSA-N 2 0 277.412 0.742 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970869943 613661877 /nfs/dbraw/zinc/66/18/77/613661877.db2.gz RXJMJMLCPQLKSR-VXGBXAGGSA-N 2 0 251.374 0.561 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852867650 613674449 /nfs/dbraw/zinc/67/44/49/613674449.db2.gz ZLJMITJVKXNYOW-UHFFFAOYSA-N 2 0 275.396 0.756 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)CC1 ZINC000870883507 613675580 /nfs/dbraw/zinc/67/55/80/613675580.db2.gz ZYFMHYRTZXWVIO-YWPYICTPSA-N 2 0 263.385 0.880 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923451390 613777754 /nfs/dbraw/zinc/77/77/54/613777754.db2.gz LLVVGYORCYOWSL-KGLIPLIRSA-N 2 0 293.411 0.603 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923451387 613777986 /nfs/dbraw/zinc/77/79/86/613777986.db2.gz LLVVGYORCYOWSL-KBPBESRZSA-N 2 0 293.411 0.603 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968702351 613864708 /nfs/dbraw/zinc/86/47/08/613864708.db2.gz FDNDAMMAHTWDOW-ZIAGYGMSSA-N 2 0 263.385 0.705 20 30 CCEDRP CC(C)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884185073 614355952 /nfs/dbraw/zinc/35/59/52/614355952.db2.gz KAFBLTQKELZIEP-BBBYJDLNSA-N 2 0 290.411 0.678 20 30 CCEDRP CCCN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC000852795578 614497696 /nfs/dbraw/zinc/49/76/96/614497696.db2.gz IPQOXSKWFXOURX-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000104179639 614706264 /nfs/dbraw/zinc/70/62/64/614706264.db2.gz VIKQUXFVWFQNCL-LBPRGKRZSA-N 2 0 254.378 0.365 20 30 CCEDRP CCCCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000104168430 614962427 /nfs/dbraw/zinc/96/24/27/614962427.db2.gz KSZBYIIDUINRFV-UHFFFAOYSA-N 2 0 256.394 0.538 20 30 CCEDRP CCN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877005140 615046984 /nfs/dbraw/zinc/04/69/84/615046984.db2.gz AZYMLWBFVQWIIW-CQSZACIVSA-N 2 0 272.352 0.552 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000104174736 615159818 /nfs/dbraw/zinc/15/98/18/615159818.db2.gz LNQYLPSHVWFKBL-KGLIPLIRSA-N 2 0 299.463 0.199 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)CCCC#N)C[C@H]1C[NH+](C)C ZINC000870018860 615928486 /nfs/dbraw/zinc/92/84/86/615928486.db2.gz YNTMEOFAXZRYHZ-ZIAGYGMSSA-N 2 0 280.416 0.878 20 30 CCEDRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834494484 615955198 /nfs/dbraw/zinc/95/51/98/615955198.db2.gz NJGGPIFWOGOMRP-ZIAGYGMSSA-N 2 0 272.352 0.590 20 30 CCEDRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852872013 615993492 /nfs/dbraw/zinc/99/34/92/615993492.db2.gz ZXBVRTSSLZXBKT-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP CN(CC(C)(C)[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884396656 616051476 /nfs/dbraw/zinc/05/14/76/616051476.db2.gz JJDXIVZVSQGEJP-CVZZAPKMSA-N 2 0 264.373 0.321 20 30 CCEDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852884328 616344156 /nfs/dbraw/zinc/34/41/56/616344156.db2.gz IJRIIIHAWDYSLP-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026148412 625343605 /nfs/dbraw/zinc/34/36/05/625343605.db2.gz HJOFBVJIAUGUPK-LFPSSSAGSA-N 2 0 289.423 0.929 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703659 623108277 /nfs/dbraw/zinc/10/82/77/623108277.db2.gz PQXHHCMFESDRGN-AWEZNQCLSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023749907 623127681 /nfs/dbraw/zinc/12/76/81/623127681.db2.gz CMZPFTDZKDZDAR-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001024630816 623402600 /nfs/dbraw/zinc/40/26/00/623402600.db2.gz XMFGRYBYDFFMLU-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781598 623882447 /nfs/dbraw/zinc/88/24/47/623882447.db2.gz KWNWATZKSAMYNO-RFBLXINOSA-N 2 0 287.407 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927977 624626016 /nfs/dbraw/zinc/62/60/16/624626016.db2.gz RMIBFCCLKZAAID-ZQDZILKHSA-N 2 0 277.412 0.977 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120421 624876904 /nfs/dbraw/zinc/87/69/04/624876904.db2.gz MLHZKJVZWIRHCD-LJISPDSOSA-N 2 0 293.411 0.663 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001022290801 624911459 /nfs/dbraw/zinc/91/14/59/624911459.db2.gz QDAPKHDJSLBZSG-FRRDWIJNSA-N 2 0 251.374 0.894 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001027464286 625897897 /nfs/dbraw/zinc/89/78/97/625897897.db2.gz KTHLOTVGYUVNNK-QLFBSQMISA-N 2 0 293.411 0.262 20 30 CCEDRP C[C@@H]1C[C@H](CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427918 634745662 /nfs/dbraw/zinc/74/56/62/634745662.db2.gz AMZKNIVRGCLJHU-SYQHCUMBSA-N 2 0 297.424 0.245 20 30 CCEDRP C[NH+]=C(NCCn1cccn1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261744491 631567864 /nfs/dbraw/zinc/56/78/64/631567864.db2.gz LAWMOPKHYXCRKS-GXTWGEPZSA-N 2 0 290.415 0.531 20 30 CCEDRP C[NH+]=C(NCCn1cccn1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261744494 631568830 /nfs/dbraw/zinc/56/88/30/631568830.db2.gz LAWMOPKHYXCRKS-TZMCWYRMSA-N 2 0 290.415 0.531 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@H]1C[N@H+](C)CCN1C ZINC000262008513 631752426 /nfs/dbraw/zinc/75/24/26/631752426.db2.gz WDEOFFAPEUMQDD-STQMWFEESA-N 2 0 299.488 0.293 20 30 CCEDRP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000303903361 632493328 /nfs/dbraw/zinc/49/33/28/632493328.db2.gz UJRGEZUPWDSMLH-UHFFFAOYSA-N 2 0 270.421 0.784 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359535 632861432 /nfs/dbraw/zinc/86/14/32/632861432.db2.gz PQKRCLAJWMOCJK-QWHCGFSZSA-N 2 0 261.369 0.294 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989388689 633206266 /nfs/dbraw/zinc/20/62/66/633206266.db2.gz GLARCJDVURRHGZ-GXTWGEPZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992415494 637398438 /nfs/dbraw/zinc/39/84/38/637398438.db2.gz ARNLHWBCFOVULM-ZBFHGGJFSA-N 2 0 286.379 0.709 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996619363 638824788 /nfs/dbraw/zinc/82/47/88/638824788.db2.gz ZTYGMMRWILDDLX-STQMWFEESA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000996720548 638830173 /nfs/dbraw/zinc/83/01/73/638830173.db2.gz USAWXIICCOETCA-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999172098 638964334 /nfs/dbraw/zinc/96/43/34/638964334.db2.gz ZYGSBVNCSHTTCG-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365687 638977860 /nfs/dbraw/zinc/97/78/60/638977860.db2.gz RHUQVKSAPUOTOL-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000195114 639051577 /nfs/dbraw/zinc/05/15/77/639051577.db2.gz XKBQXKVSJYKATQ-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000571777 639122457 /nfs/dbraw/zinc/12/24/57/639122457.db2.gz KYLCIZNGFRPCPH-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001000993714 639212188 /nfs/dbraw/zinc/21/21/88/639212188.db2.gz SIHMPPCVQPYTRI-INIZCTEOSA-N 2 0 287.407 0.545 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014728068 650482543 /nfs/dbraw/zinc/48/25/43/650482543.db2.gz KPGFMKIJOLUIFZ-KGLIPLIRSA-N 2 0 286.379 0.974 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002128464 639369837 /nfs/dbraw/zinc/36/98/37/639369837.db2.gz XWFJPEPMEWQLTC-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1C[NH3+] ZINC000923412403 640128726 /nfs/dbraw/zinc/12/87/26/640128726.db2.gz VSZBSWYLJMTBEF-SNPRPXQTSA-N 2 0 289.379 0.825 20 30 CCEDRP C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CC[NH2+]CC1 ZINC000834484118 642574439 /nfs/dbraw/zinc/57/44/39/642574439.db2.gz DXWTWJJJIFQUSQ-RAIGVLPGSA-N 2 0 264.373 0.240 20 30 CCEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016970329 650774720 /nfs/dbraw/zinc/77/47/20/650774720.db2.gz TWMHLQGMCTWHJB-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016970326 650775205 /nfs/dbraw/zinc/77/52/05/650775205.db2.gz TWMHLQGMCTWHJB-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000848418533 643634116 /nfs/dbraw/zinc/63/41/16/643634116.db2.gz NHHINDOJJCVDDY-CYBMUJFWSA-N 2 0 278.400 1.000 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001018871198 650917507 /nfs/dbraw/zinc/91/75/07/650917507.db2.gz ZDSNQNYXUMAWDE-MELADBBJSA-N 2 0 263.385 0.540 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1CC[NH2+]CC1 ZINC000867965616 645691279 /nfs/dbraw/zinc/69/12/79/645691279.db2.gz GFIOFDMGLUSAEK-MRXNPFEDSA-N 2 0 298.390 0.861 20 30 CCEDRP C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000872251677 646228808 /nfs/dbraw/zinc/22/88/08/646228808.db2.gz SVOGHRKUWIPCPF-BZUAXINKSA-N 2 0 279.428 0.376 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508122 646614361 /nfs/dbraw/zinc/61/43/61/646614361.db2.gz IZIFLQZQIBGFNJ-HIFRSBDPSA-N 2 0 284.363 0.613 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H]([NH3+])C1 ZINC000876517615 646617677 /nfs/dbraw/zinc/61/76/77/646617677.db2.gz WWNSJUGBPHEYEL-GXTWGEPZSA-N 2 0 270.336 0.305 20 30 CCEDRP C[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876835954 646677843 /nfs/dbraw/zinc/67/78/43/646677843.db2.gz HWNIXJCJGHDHSQ-RNCFNFMXSA-N 2 0 258.325 0.208 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877006309 646715249 /nfs/dbraw/zinc/71/52/49/646715249.db2.gz ZXMPDDFYFVSBFM-CYBMUJFWSA-N 2 0 261.369 0.390 20 30 CCEDRP [NH3+]C[C@H]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000877180470 646750806 /nfs/dbraw/zinc/75/08/06/646750806.db2.gz XXMMFRYGDPUHEA-HDJSIYSDSA-N 2 0 263.385 0.623 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877340534 646798054 /nfs/dbraw/zinc/79/80/54/646798054.db2.gz NCZWBFBUYHVLOC-QGZVFWFLSA-N 2 0 297.402 0.820 20 30 CCEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C2 ZINC000877373357 646804928 /nfs/dbraw/zinc/80/49/28/646804928.db2.gz ZHOJJPYUWVIHSG-SGMGOOAPSA-N 2 0 264.373 0.466 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]([NH3+])c1ccccc1)C2 ZINC000884026512 647615931 /nfs/dbraw/zinc/61/59/31/647615931.db2.gz GCYWJVPQOGNSSG-GWUWNPHMSA-N 2 0 298.390 0.942 20 30 CCEDRP C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H]1C[NH3+] ZINC000884341154 647714002 /nfs/dbraw/zinc/71/40/02/647714002.db2.gz TUIORLCJIXYAKN-JCLLTIBYSA-N 2 0 290.411 0.569 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000884431497 647736027 /nfs/dbraw/zinc/73/60/27/647736027.db2.gz WADWUHMYDXPWGS-DNCHLWJUSA-N 2 0 288.395 0.527 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000104174530 648204729 /nfs/dbraw/zinc/20/47/29/648204729.db2.gz KHWHDMRESPOLSD-VXGBXAGGSA-N 2 0 256.394 0.658 20 30 CCEDRP C=CCNC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303264327 649813681 /nfs/dbraw/zinc/81/36/81/649813681.db2.gz SDZFNCOPRUAYLH-TXEJJXNPSA-N 2 0 254.378 0.576 20 30 CCEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])N2CCOCC2)C[C@H](C)O1 ZINC000303792011 649825511 /nfs/dbraw/zinc/82/55/11/649825511.db2.gz YCBBRHMTOHVRQR-STQMWFEESA-N 2 0 284.404 0.133 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc[nH]n1 ZINC000303905793 649826980 /nfs/dbraw/zinc/82/69/80/649826980.db2.gz ZNVYEZDUDCVPCD-NSHDSACASA-N 2 0 250.350 0.298 20 30 CCEDRP CCCCNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000303910396 649826983 /nfs/dbraw/zinc/82/69/83/649826983.db2.gz YVGYJJWLXXZGEO-UHFFFAOYSA-N 2 0 255.410 0.328 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262689 805590203 /nfs/dbraw/zinc/59/02/03/805590203.db2.gz NFUOPESAMMDVID-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266614949 791035908 /nfs/dbraw/zinc/03/59/08/791035908.db2.gz VRWYHEOBZCDBPT-AJNGGQMLSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001277494057 805746947 /nfs/dbraw/zinc/74/69/47/805746947.db2.gz NVABZFYJDVONKQ-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001267022052 791456535 /nfs/dbraw/zinc/45/65/35/791456535.db2.gz JRDRFZWADYNPAM-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267130068 791575760 /nfs/dbraw/zinc/57/57/60/791575760.db2.gz CFEIXJZABRTKAL-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)Cc1[nH]cnc1C ZINC001267254853 793252752 /nfs/dbraw/zinc/25/27/52/793252752.db2.gz HRVJGJDNKPZJNN-UHFFFAOYSA-N 2 0 292.383 0.349 20 30 CCEDRP C=CC[NH2+]CCN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235005997 806343118 /nfs/dbraw/zinc/34/31/18/806343118.db2.gz HRDYTGRUJDRPGO-AWEZNQCLSA-N 2 0 253.390 0.464 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301452 799192281 /nfs/dbraw/zinc/19/22/81/799192281.db2.gz BUVDVOUGKNKIID-XQQFMLRXSA-N 2 0 264.373 0.466 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203004651 799880896 /nfs/dbraw/zinc/88/08/96/799880896.db2.gz GPUXGHNUMIULHT-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161227305 800216149 /nfs/dbraw/zinc/21/61/49/800216149.db2.gz XZCMQCMAMVPRMT-UHFFFAOYSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149849211 800303322 /nfs/dbraw/zinc/30/33/22/800303322.db2.gz RPVXJGVQYRIBNM-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150587133 800349105 /nfs/dbraw/zinc/34/91/05/800349105.db2.gz FCWOOSZAEQSBBP-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151049235 800389988 /nfs/dbraw/zinc/38/99/88/800389988.db2.gz KRAPXTVBCYHNTM-MRXNPFEDSA-N 2 0 285.391 0.696 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](F)CC)CC1 ZINC001152324128 800509342 /nfs/dbraw/zinc/50/93/42/800509342.db2.gz MDTKGJCDBCXQMR-CQSZACIVSA-N 2 0 283.391 0.786 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152387001 800514727 /nfs/dbraw/zinc/51/47/27/800514727.db2.gz WNEMCPNLOSWDBH-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391852 800516999 /nfs/dbraw/zinc/51/69/99/800516999.db2.gz GVEZCCXXOYFOQI-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889943 801254743 /nfs/dbraw/zinc/25/47/43/801254743.db2.gz FPQNTCSEFOPBAK-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001157747435 801470134 /nfs/dbraw/zinc/47/01/34/801470134.db2.gz HAPFKNHJXJCKMO-HUUCEWRRSA-N 2 0 293.411 0.263 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486812 801658303 /nfs/dbraw/zinc/65/83/03/801658303.db2.gz RUYATQJHXURCAF-QWHCGFSZSA-N 2 0 267.373 0.132 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505658 801660046 /nfs/dbraw/zinc/66/00/46/801660046.db2.gz FFLOPXXWNAMOJC-UONOGXRCSA-N 2 0 281.400 0.522 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001160482292 801949084 /nfs/dbraw/zinc/94/90/84/801949084.db2.gz FFXPMUITVFTXOP-AWEZNQCLSA-N 2 0 251.374 0.670 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889312 802043818 /nfs/dbraw/zinc/04/38/18/802043818.db2.gz HXUIKMALUZISME-CHWSQXEVSA-N 2 0 298.431 0.113 20 30 CCEDRP N#Cc1c2c(cnc1-n1cnc3c1C[NH2+]CC3)C[NH2+]CCC2 ZINC001164310418 802718672 /nfs/dbraw/zinc/71/86/72/802718672.db2.gz RHKAIAOCOBCNJK-UHFFFAOYSA-N 2 0 294.362 0.820 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263929 802807370 /nfs/dbraw/zinc/80/73/70/802807370.db2.gz WZHQHRYSXNVUSP-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694075 802941339 /nfs/dbraw/zinc/94/13/39/802941339.db2.gz VDIMBUQRLBRWEV-STQMWFEESA-N 2 0 251.374 0.303 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757601 813444720 /nfs/dbraw/zinc/44/47/20/813444720.db2.gz GPMPNGZAZPYNEO-GJZGRUSLSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757603 813445529 /nfs/dbraw/zinc/44/55/29/813445529.db2.gz GPMPNGZAZPYNEO-HUUCEWRRSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001206683234 803278000 /nfs/dbraw/zinc/27/80/00/803278000.db2.gz FBKYEHBPLONAQG-UHFFFAOYSA-N 2 0 260.341 0.414 20 30 CCEDRP C=CC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873984 803297427 /nfs/dbraw/zinc/29/74/27/803297427.db2.gz ZIZOGWJUUWNLEZ-UHFFFAOYSA-N 2 0 283.416 0.579 20 30 CCEDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001208414179 803513389 /nfs/dbraw/zinc/51/33/89/803513389.db2.gz JHADYWSRPSMBDE-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208707969 803537522 /nfs/dbraw/zinc/53/75/22/803537522.db2.gz OFVWKDOZFSUJOC-MCIONIFRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209305308 803592091 /nfs/dbraw/zinc/59/20/91/803592091.db2.gz YCBXXDYUZYMPBO-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216511358 803840748 /nfs/dbraw/zinc/84/07/48/803840748.db2.gz PHLLZCYKYZIMJW-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757938 803854433 /nfs/dbraw/zinc/85/44/33/803854433.db2.gz SBNSJSSIBWEPTC-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP N#Cc1ccnc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218504919 803971528 /nfs/dbraw/zinc/97/15/28/803971528.db2.gz VZXXQEQIIKOGDN-NSHDSACASA-N 2 0 261.329 0.738 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218550694 804002474 /nfs/dbraw/zinc/00/24/74/804002474.db2.gz KAFRTNLFGXZHRX-LSDHHAIUSA-N 2 0 293.411 0.263 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(C#N)c1C ZINC001218556650 804004452 /nfs/dbraw/zinc/00/44/52/804004452.db2.gz WMLVLNQYUWNGCO-LBPRGKRZSA-N 2 0 275.356 0.769 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(O)c1 ZINC001218990399 804177462 /nfs/dbraw/zinc/17/74/62/804177462.db2.gz BBSGLHDJVGNEBL-CYBMUJFWSA-N 2 0 274.324 0.529 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219789332 804423691 /nfs/dbraw/zinc/42/36/91/804423691.db2.gz UWEIGFPBDJCAFW-WFASDCNBSA-N 2 0 274.368 0.064 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220826361 804675405 /nfs/dbraw/zinc/67/54/05/804675405.db2.gz ZUWBOEZXMJMUSX-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071997 804726902 /nfs/dbraw/zinc/72/69/02/804726902.db2.gz OLKOALDWMKUHQU-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224583001 805057323 /nfs/dbraw/zinc/05/73/23/805057323.db2.gz HHVLJMOMDOSRKL-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)c2cc(CN(C)C)on2)[C@H]1C ZINC001088688544 815057929 /nfs/dbraw/zinc/05/79/29/815057929.db2.gz QTXLEYHULLNJMN-YPMHNXCESA-N 2 0 290.367 0.562 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NC(C)(C)C[NH+](C)C ZINC001251708132 807697160 /nfs/dbraw/zinc/69/71/60/807697160.db2.gz LDDHSYFSBJGBDG-UHFFFAOYSA-N 2 0 254.378 0.191 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001251852047 807722299 /nfs/dbraw/zinc/72/22/99/807722299.db2.gz YVRVFTXLMBWNGJ-CQSZACIVSA-N 2 0 266.385 0.415 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001251880852 807731688 /nfs/dbraw/zinc/73/16/88/807731688.db2.gz ILVCMLOELFNAEE-AWEZNQCLSA-N 2 0 254.374 0.463 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001251891248 807737629 /nfs/dbraw/zinc/73/76/29/807737629.db2.gz PELLPFQKIOZVMC-RUXDESIVSA-N 2 0 254.374 0.460 20 30 CCEDRP C=C[C@](C)(O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252557647 807910268 /nfs/dbraw/zinc/91/02/68/807910268.db2.gz OFBBWJQEAJTZRI-INIZCTEOSA-N 2 0 281.444 0.883 20 30 CCEDRP C=C[C@@H](O)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001253573908 808081840 /nfs/dbraw/zinc/08/18/40/808081840.db2.gz KQEYLMDVNAGXTJ-GFCCVEGCSA-N 2 0 262.357 0.792 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001253579385 808087046 /nfs/dbraw/zinc/08/70/46/808087046.db2.gz QFBOGKYLKBXIRP-OAHLLOKOSA-N 2 0 269.433 0.883 20 30 CCEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278787915 808244786 /nfs/dbraw/zinc/24/47/86/808244786.db2.gz XRZRKDHEMSZYPM-ZBFHGGJFSA-N 2 0 293.411 0.047 20 30 CCEDRP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001261461863 808984741 /nfs/dbraw/zinc/98/47/41/808984741.db2.gz APJAGSBCVFAEKE-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001261460197 808984805 /nfs/dbraw/zinc/98/48/05/808984805.db2.gz VLFQVXPDFHQHEA-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001261552140 809019003 /nfs/dbraw/zinc/01/90/03/809019003.db2.gz HMTJHHMRBQRZCU-ZIAGYGMSSA-N 2 0 295.431 0.150 20 30 CCEDRP C[N@H+]1CC=C(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001262566899 809346689 /nfs/dbraw/zinc/34/66/89/809346689.db2.gz DDBBWMIZFXIQNL-OAHLLOKOSA-N 2 0 293.411 0.909 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001263842002 809585457 /nfs/dbraw/zinc/58/54/57/809585457.db2.gz BSNIQLRVEJZBQT-BETUJISGSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001264148239 809635315 /nfs/dbraw/zinc/63/53/15/809635315.db2.gz BQUCWXXXEZDYTJ-FRRDWIJNSA-N 2 0 251.374 0.539 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264402015 809651782 /nfs/dbraw/zinc/65/17/82/809651782.db2.gz MIFMRJJNMPIODO-OKILXGFUSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264424664 809655297 /nfs/dbraw/zinc/65/52/97/809655297.db2.gz OVUFKUIOXNCGRQ-MGPQQGTHSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265378408 809768948 /nfs/dbraw/zinc/76/89/48/809768948.db2.gz LBQDMNDHXJXXFL-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265470354 809786224 /nfs/dbraw/zinc/78/62/24/809786224.db2.gz FSMYYKXUPVRJOX-JHJVBQTASA-N 2 0 251.374 0.894 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001265540432 809800858 /nfs/dbraw/zinc/80/08/58/809800858.db2.gz QGJHTUWYARIGSC-LJISPDSOSA-N 2 0 277.412 0.977 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001265845520 809874236 /nfs/dbraw/zinc/87/42/36/809874236.db2.gz ATJHSJZPGRXSHE-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001266134345 809944766 /nfs/dbraw/zinc/94/47/66/809944766.db2.gz WEDXONJGXJTSFQ-KGLIPLIRSA-N 2 0 283.416 0.768 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266143631 809947470 /nfs/dbraw/zinc/94/74/70/809947470.db2.gz HYBHTYUFCVCAMW-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001279635938 809989861 /nfs/dbraw/zinc/98/98/61/809989861.db2.gz FHKQAZOHKOOJEG-CQSZACIVSA-N 2 0 275.396 0.710 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282735 811093069 /nfs/dbraw/zinc/09/30/69/811093069.db2.gz SSDMFSLTDOJVKO-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267766240 811763875 /nfs/dbraw/zinc/76/38/75/811763875.db2.gz GGAWZVKYMLWUGQ-QWHCGFSZSA-N 2 0 251.374 0.493 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267991093 811929927 /nfs/dbraw/zinc/92/99/27/811929927.db2.gz NJUAZMLFHFTJHU-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268099736 812257542 /nfs/dbraw/zinc/25/75/42/812257542.db2.gz HPCSDQKTUPMAPP-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028116122 812289246 /nfs/dbraw/zinc/28/92/46/812289246.db2.gz CLPJXBILFNZBPG-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628397 812997769 /nfs/dbraw/zinc/99/77/69/812997769.db2.gz SHJSYXGQJDSRQX-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028628396 812997852 /nfs/dbraw/zinc/99/78/52/812997852.db2.gz SHJSYXGQJDSRQX-QLFBSQMISA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636852 813074158 /nfs/dbraw/zinc/07/41/58/813074158.db2.gz ROULNWRYDGAQIG-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CCC)C1CC1 ZINC001269140206 813235819 /nfs/dbraw/zinc/23/58/19/813235819.db2.gz DQHJDFVIHVWCRY-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001269475331 813383488 /nfs/dbraw/zinc/38/34/88/813383488.db2.gz LMMVQVPNEXEGAO-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933958 813673330 /nfs/dbraw/zinc/67/33/30/813673330.db2.gz VDQCYBFXAQSQTI-CQSZACIVSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270969015 814102960 /nfs/dbraw/zinc/10/29/60/814102960.db2.gz WTQFAOPTMSIQAW-OCCSQVGLSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199754 814444153 /nfs/dbraw/zinc/44/41/53/814444153.db2.gz BPVWJDUSSXFVEU-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CCN1CCC[C@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001271988633 814665924 /nfs/dbraw/zinc/66/59/24/814665924.db2.gz WKHUFIITJPUXAA-HNNXBMFYSA-N 2 0 283.416 0.457 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572019 814923879 /nfs/dbraw/zinc/92/38/79/814923879.db2.gz VEJSNKUHPUKJMU-YUELXQCFSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255347 816466007 /nfs/dbraw/zinc/46/60/07/816466007.db2.gz IVFXRFLFVHPRAW-ZIAGYGMSSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001272488527 816489678 /nfs/dbraw/zinc/48/96/78/816489678.db2.gz NNSPENZZTVNQTC-AWEZNQCLSA-N 2 0 295.427 0.198 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001106322400 816739611 /nfs/dbraw/zinc/73/96/11/816739611.db2.gz NODVONGWDFUMGG-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCN1CCN(C)C2(CC[NH+](CCCC[NH3+])CC2)C1=O ZINC001235592109 816893462 /nfs/dbraw/zinc/89/34/62/816893462.db2.gz FQIVWPSVKBZKAR-UHFFFAOYSA-N 2 0 294.443 0.520 20 30 CCEDRP C#CCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236037542 817033309 /nfs/dbraw/zinc/03/33/09/817033309.db2.gz JFGARXSHXQWAGM-UKRRQHHQSA-N 2 0 264.369 0.874 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001031967929 817504617 /nfs/dbraw/zinc/50/46/17/817504617.db2.gz IHMIMVQEACBKPK-CYBMUJFWSA-N 2 0 286.379 0.901 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212460725 818135999 /nfs/dbraw/zinc/13/59/99/818135999.db2.gz KUUGDDWSUKQNTL-MGPQQGTHSA-N 2 0 283.416 0.718 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525235 819227663 /nfs/dbraw/zinc/22/76/63/819227663.db2.gz KPMORJYWQRQCEL-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(CCC)CCO1 ZINC001035402691 819508660 /nfs/dbraw/zinc/50/86/60/819508660.db2.gz NRWAVTQESPZQDY-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084832336 821405902 /nfs/dbraw/zinc/40/59/02/821405902.db2.gz ATEWXSZERNWATH-ZIAGYGMSSA-N 2 0 263.385 0.801 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085200497 821614773 /nfs/dbraw/zinc/61/47/73/821614773.db2.gz MAXDWGRPISWYBK-BZUAXINKSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001085332640 821662918 /nfs/dbraw/zinc/66/29/18/821662918.db2.gz HCYWULMJVAIOFE-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973708 821677316 /nfs/dbraw/zinc/67/73/16/821677316.db2.gz HPLJGRMXSLMXMH-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001085927679 822020365 /nfs/dbraw/zinc/02/03/65/822020365.db2.gz DOUUBBKRDKUBLP-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086254135 822175801 /nfs/dbraw/zinc/17/58/01/822175801.db2.gz LHXORNLQENSOIB-BETUJISGSA-N 2 0 263.385 0.753 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001086457246 822264372 /nfs/dbraw/zinc/26/43/72/822264372.db2.gz PLKDDYXSFYFEQN-AJNGGQMLSA-N 2 0 277.412 0.834 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187064 837716661 /nfs/dbraw/zinc/71/66/61/837716661.db2.gz OECRUOLAAAXXAA-CABCVRRESA-N 2 0 293.411 0.359 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188327 837717289 /nfs/dbraw/zinc/71/72/89/837717289.db2.gz BUUFMCRBVFZMRB-HUUCEWRRSA-N 2 0 295.427 0.912 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231947 837736049 /nfs/dbraw/zinc/73/60/49/837736049.db2.gz KMUZTOUWYHLCQC-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647753 844054898 /nfs/dbraw/zinc/05/48/98/844054898.db2.gz KDLOOZMOCGWSNS-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129339128 836390193 /nfs/dbraw/zinc/39/01/93/836390193.db2.gz FXWXJAHTWSYPNX-CYBMUJFWSA-N 2 0 253.390 0.856 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790052 838218737 /nfs/dbraw/zinc/21/87/37/838218737.db2.gz DXIBQAVGQMJHOV-OAHLLOKOSA-N 2 0 293.411 0.216 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132423587 838389026 /nfs/dbraw/zinc/38/90/26/838389026.db2.gz ARULLNSKOLGTNB-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP CC[C@H](C(=O)NCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001133684149 838693766 /nfs/dbraw/zinc/69/37/66/838693766.db2.gz DPSMVAIIGBBNBG-CQSZACIVSA-N 2 0 283.416 0.462 20 30 CCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685078 838695529 /nfs/dbraw/zinc/69/55/29/838695529.db2.gz PLIOKTXGPYLEMW-CYBMUJFWSA-N 2 0 298.431 0.115 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093829 839164003 /nfs/dbraw/zinc/16/40/03/839164003.db2.gz STHKLBBXDGQMAO-CHWSQXEVSA-N 2 0 251.374 0.895 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958758 839485145 /nfs/dbraw/zinc/48/51/45/839485145.db2.gz FEEDERSRDYWBAN-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185660082 844444163 /nfs/dbraw/zinc/44/41/63/844444163.db2.gz XREMVCNGDLDHJW-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543729 840264253 /nfs/dbraw/zinc/26/42/53/840264253.db2.gz ODLAGGNSYXRLCL-VYDXJSESSA-N 2 0 289.423 0.884 20 30 CCEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976797 840726762 /nfs/dbraw/zinc/72/67/62/840726762.db2.gz AKOPYOFLPCGURQ-UHFFFAOYSA-N 2 0 298.390 0.860 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160397 840752497 /nfs/dbraw/zinc/75/24/97/840752497.db2.gz HHZJXEIJRCLRAU-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365698 840793902 /nfs/dbraw/zinc/79/39/02/840793902.db2.gz XEFBZCVOKYZEPF-CYBMUJFWSA-N 2 0 298.431 0.115 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578442 840850355 /nfs/dbraw/zinc/85/03/55/840850355.db2.gz SXKBKKUZOFUNCO-ZDUSSCGKSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148839924 840895776 /nfs/dbraw/zinc/89/57/76/840895776.db2.gz VCRCEKUEDSJCLP-UHFFFAOYSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001150334640 842171383 /nfs/dbraw/zinc/17/13/83/842171383.db2.gz YWAASLMVIDVSNZ-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461192 843003664 /nfs/dbraw/zinc/00/36/64/843003664.db2.gz FFWXFZZALKPRPM-UHFFFAOYSA-N 2 0 253.390 0.838 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106386 844830786 /nfs/dbraw/zinc/83/07/86/844830786.db2.gz JGKXDKCMZANOAK-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970000 845012122 /nfs/dbraw/zinc/01/21/22/845012122.db2.gz DGFVRCHJMMGUQI-LSDHHAIUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193640949 846133997 /nfs/dbraw/zinc/13/39/97/846133997.db2.gz GPPSRLPEFUZDAX-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ncccc1C#N ZINC001196563690 846767709 /nfs/dbraw/zinc/76/77/09/846767709.db2.gz JGDWPDMHNRDRSK-UHFFFAOYSA-N 2 0 288.355 0.631 20 30 CCEDRP COCC#CCN1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001198097771 847041668 /nfs/dbraw/zinc/04/16/68/847041668.db2.gz HDLHMHNXBBPOJS-OAHLLOKOSA-N 2 0 293.411 0.122 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CCCO1 ZINC001201405083 847775972 /nfs/dbraw/zinc/77/59/72/847775972.db2.gz ZZFLBGHQYDCFFU-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114462991 848074824 /nfs/dbraw/zinc/07/48/24/848074824.db2.gz CCOWGMBAPCQSTQ-RQJABVFESA-N 2 0 263.385 0.396 20 30 CCEDRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCCC#N)C2)OCC1=O ZINC001274039985 848315654 /nfs/dbraw/zinc/31/56/54/848315654.db2.gz POXHHOVIGBJFAH-HNNXBMFYSA-N 2 0 294.399 0.155 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC#CCOC)C1 ZINC001274280962 848438513 /nfs/dbraw/zinc/43/85/13/848438513.db2.gz QFGCJVGPEJDXTG-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275144247 848650315 /nfs/dbraw/zinc/65/03/15/848650315.db2.gz WJNUNALWCKLOIV-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720707 848800211 /nfs/dbraw/zinc/80/02/11/848800211.db2.gz LORIILDPRYJQRI-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001275911637 848864399 /nfs/dbraw/zinc/86/43/99/848864399.db2.gz DVLJPSDFRFXIGD-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750118 849385994 /nfs/dbraw/zinc/38/59/94/849385994.db2.gz AWNXFPLYGIHXFX-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037976903 849615675 /nfs/dbraw/zinc/61/56/75/849615675.db2.gz FGGNQRNGGKIWBA-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028870 850127695 /nfs/dbraw/zinc/12/76/95/850127695.db2.gz RYGXZOJKARTQNQ-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001045442273 851258773 /nfs/dbraw/zinc/25/87/73/851258773.db2.gz QPQUQOKRCMNGJU-OAHLLOKOSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001045640468 851293272 /nfs/dbraw/zinc/29/32/72/851293272.db2.gz SQNQVKBBOKWYRH-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046830830 851624770 /nfs/dbraw/zinc/62/47/70/851624770.db2.gz BSIVAXGHPKDTII-HIFRSBDPSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829281 852076166 /nfs/dbraw/zinc/07/61/66/852076166.db2.gz KTXJTVWJGCHUPH-LVQVYYBASA-N 2 0 289.423 0.740 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824114 852076743 /nfs/dbraw/zinc/07/67/43/852076743.db2.gz UHOZEAUHZHUBNC-OWCLPIDISA-N 2 0 287.407 0.352 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072552561 854413878 /nfs/dbraw/zinc/41/38/78/854413878.db2.gz QRXNAYKSYSZBQV-CYBMUJFWSA-N 2 0 263.385 0.801 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955547 854501789 /nfs/dbraw/zinc/50/17/89/854501789.db2.gz OOPWHQSLUQJFGQ-CQSZACIVSA-N 2 0 277.412 0.740 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129870 854536645 /nfs/dbraw/zinc/53/66/45/854536645.db2.gz GCCKHVVJFHEREP-UHFFFAOYSA-N 2 0 287.407 0.640 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886580 854660106 /nfs/dbraw/zinc/66/01/06/854660106.db2.gz RSXNJRYUNGAPRF-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001098214474 854852329 /nfs/dbraw/zinc/85/23/29/854852329.db2.gz KBAUPXZBCQKICM-TUVASFSCSA-N 2 0 275.396 0.683 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898831 855023664 /nfs/dbraw/zinc/02/36/64/855023664.db2.gz INQWLCAZEBXSGG-QWHCGFSZSA-N 2 0 283.416 0.454 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100079960 855093736 /nfs/dbraw/zinc/09/37/36/855093736.db2.gz BFBFZUZHUUIZPZ-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407845 855162338 /nfs/dbraw/zinc/16/23/38/855162338.db2.gz LTNDLSBUTZZLSA-UBHUBRDASA-N 2 0 265.401 0.997 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351170 855285523 /nfs/dbraw/zinc/28/55/23/855285523.db2.gz WARYAXJJVSOOAC-HIFRSBDPSA-N 2 0 265.401 0.904 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938103 855607125 /nfs/dbraw/zinc/60/71/25/855607125.db2.gz LHANINZQDZGTMM-HOCLYGCPSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115292573 855658572 /nfs/dbraw/zinc/65/85/72/855658572.db2.gz QMBYQLMCWPRXGJ-QLPKVWCKSA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118138132 856173222 /nfs/dbraw/zinc/17/32/22/856173222.db2.gz UVUAYWNDPWIWPR-CYBMUJFWSA-N 2 0 278.400 1.000 20 30 CCEDRP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118257964 856227866 /nfs/dbraw/zinc/22/78/66/856227866.db2.gz KCPUOSYCRGPGGE-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC001118338211 856267563 /nfs/dbraw/zinc/26/75/63/856267563.db2.gz PLDSUCGIKRHJGW-LBPRGKRZSA-N 2 0 252.362 0.595 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CCN1CCOCC1 ZINC001323320973 912263206 /nfs/dbraw/zinc/26/32/06/912263206.db2.gz YETBWYHDNGCCML-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481000320 892041386 /nfs/dbraw/zinc/04/13/86/892041386.db2.gz VIAUVPJVOMIPQX-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001481062078 892123920 /nfs/dbraw/zinc/12/39/20/892123920.db2.gz ILAVNHUFNZHHKP-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001501617645 893957973 /nfs/dbraw/zinc/95/79/73/893957973.db2.gz BXIFKEDBOSVECB-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001482742260 894558028 /nfs/dbraw/zinc/55/80/28/894558028.db2.gz RBWLNYQMDWHKLB-CQSZACIVSA-N 2 0 295.427 0.505 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001482773826 894592463 /nfs/dbraw/zinc/59/24/63/894592463.db2.gz FUBVGFYDMBHZPL-HUUCEWRRSA-N 2 0 297.443 0.892 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483215950 895121802 /nfs/dbraw/zinc/12/18/02/895121802.db2.gz WQISMCXJZNNVKO-QWHCGFSZSA-N 2 0 269.389 0.378 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348255 895485592 /nfs/dbraw/zinc/48/55/92/895485592.db2.gz WBDHZPQFHNCHEK-LBPRGKRZSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001483586565 895667350 /nfs/dbraw/zinc/66/73/50/895667350.db2.gz SEDFDRYPJRPDJB-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)Cc2[nH]cnc2C)CC1 ZINC001483974698 896138037 /nfs/dbraw/zinc/13/80/37/896138037.db2.gz OEVRRNOLSJDLPD-UHFFFAOYSA-N 2 0 274.368 0.865 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCOCC1 ZINC001484186868 896223909 /nfs/dbraw/zinc/22/39/09/896223909.db2.gz MOFJILPUUFDZFN-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CCC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001484868333 896646367 /nfs/dbraw/zinc/64/63/67/896646367.db2.gz IXPVTGAWHUVKBJ-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001485007701 896717107 /nfs/dbraw/zinc/71/71/07/896717107.db2.gz JZMCXUDHSAVSKT-UHFFFAOYSA-N 2 0 293.411 0.265 20 30 CCEDRP COCC#CC[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001485101202 896773222 /nfs/dbraw/zinc/77/32/22/896773222.db2.gz PPMRBCLTZDZPAA-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCF)C1 ZINC001485094002 896775893 /nfs/dbraw/zinc/77/58/93/896775893.db2.gz NTMQOLQHGCNGMQ-NRXISQOPSA-N 2 0 295.402 0.928 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCF)C2)CC1 ZINC001485110564 896789524 /nfs/dbraw/zinc/78/95/24/896789524.db2.gz NKUUMIQQFNADHI-UHFFFAOYSA-N 2 0 295.402 0.786 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)CCC ZINC001485832302 897831101 /nfs/dbraw/zinc/83/11/01/897831101.db2.gz MUCYYHHUTPOMLD-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490741599 900713905 /nfs/dbraw/zinc/71/39/05/900713905.db2.gz WKNASSZYNHWKJW-UONOGXRCSA-N 2 0 265.401 0.999 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001327662440 914687231 /nfs/dbraw/zinc/68/72/31/914687231.db2.gz MYBQAUGZCKOSMQ-GFCCVEGCSA-N 2 0 264.373 0.752 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001491026498 903304022 /nfs/dbraw/zinc/30/40/22/903304022.db2.gz ZCQVRXDDPPRJAI-OKILXGFUSA-N 2 0 293.411 0.357 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491118349 903379208 /nfs/dbraw/zinc/37/92/08/903379208.db2.gz OVMMETCUNFJWRK-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491178893 903423028 /nfs/dbraw/zinc/42/30/28/903423028.db2.gz HKWNKUSHJREADW-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001214952715 903847216 /nfs/dbraw/zinc/84/72/16/903847216.db2.gz IXWBAOSPFLFQIN-RBSFLKMASA-N 2 0 295.427 0.413 20 30 CCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001281147739 904230710 /nfs/dbraw/zinc/23/07/10/904230710.db2.gz TUKGBWLAEQJGPA-ZBFHGGJFSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001281800396 904351129 /nfs/dbraw/zinc/35/11/29/904351129.db2.gz XFQFZMMMEPXRIX-CQSZACIVSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282231303 904438048 /nfs/dbraw/zinc/43/80/48/904438048.db2.gz XCBUQDBDKJFCPK-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001283715743 904970928 /nfs/dbraw/zinc/97/09/28/904970928.db2.gz VVJOSCUIGKLVIY-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001284446973 905302003 /nfs/dbraw/zinc/30/20/03/905302003.db2.gz BZWPNRXNPRYNRZ-AWEZNQCLSA-N 2 0 297.443 0.397 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001491623834 907457920 /nfs/dbraw/zinc/45/79/20/907457920.db2.gz AUWKEWZMYLTOOR-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491856510 907608392 /nfs/dbraw/zinc/60/83/92/907608392.db2.gz MUBSVRFPNFTGKF-AWEZNQCLSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328280230 908659893 /nfs/dbraw/zinc/65/98/93/908659893.db2.gz SABNIHKZSHCXMP-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001338448517 921468064 /nfs/dbraw/zinc/46/80/64/921468064.db2.gz HTTCYQTZVSQBJE-UHFFFAOYSA-N 2 0 286.379 0.780 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317478561 909248685 /nfs/dbraw/zinc/24/86/85/909248685.db2.gz PCIXNUIIZHNDGK-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001317503413 909273565 /nfs/dbraw/zinc/27/35/65/909273565.db2.gz YNLBHTLSERXNAU-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001317624510 909417615 /nfs/dbraw/zinc/41/76/15/909417615.db2.gz XTEKRZPHMXZLTP-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001318603032 909831551 /nfs/dbraw/zinc/83/15/51/909831551.db2.gz NIJUSQWTVDATNU-KBPBESRZSA-N 2 0 281.400 0.215 20 30 CCEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319999541 910407193 /nfs/dbraw/zinc/40/71/93/910407193.db2.gz IIRAMSGDJYYBMZ-HNNXBMFYSA-N 2 0 277.412 0.742 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001320109618 910468260 /nfs/dbraw/zinc/46/82/60/910468260.db2.gz DHFMDBPHFUZGOK-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CC1 ZINC001322175399 911694260 /nfs/dbraw/zinc/69/42/60/911694260.db2.gz KXXZHMQIFXBUTQ-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001328219455 915033360 /nfs/dbraw/zinc/03/33/60/915033360.db2.gz FLWBAUGUURGCFA-SRVKXCTJSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CCc1cncn1C ZINC001329610248 916059370 /nfs/dbraw/zinc/05/93/70/916059370.db2.gz SDBYKWQVCJAWKN-CYBMUJFWSA-N 2 0 276.384 0.813 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331004618 917018425 /nfs/dbraw/zinc/01/84/25/917018425.db2.gz GSZHFOJKNITBBG-MNOVXSKESA-N 2 0 288.342 0.759 20 30 CCEDRP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC001331594152 917439945 /nfs/dbraw/zinc/43/99/45/917439945.db2.gz CJDWIRXFKCNZID-MRXNPFEDSA-N 2 0 293.455 0.909 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001331740767 917564854 /nfs/dbraw/zinc/56/48/54/917564854.db2.gz QPYYZHJANFZVBK-CQSZACIVSA-N 2 0 295.427 0.505 20 30 CCEDRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001331852198 917659739 /nfs/dbraw/zinc/65/97/39/917659739.db2.gz VFJCBTWOJCJBPU-HNNXBMFYSA-N 2 0 294.443 0.658 20 30 CCEDRP C[C@@H](CCCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331967749 917767075 /nfs/dbraw/zinc/76/70/75/917767075.db2.gz BQJHHBNNEDMIHL-SDFYHXNISA-N 2 0 278.400 0.759 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001403860350 918070245 /nfs/dbraw/zinc/07/02/45/918070245.db2.gz BDSFDJNTLBLNAK-NEPJUHHUSA-N 2 0 291.823 0.488 20 30 CCEDRP COCC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001333042679 918618460 /nfs/dbraw/zinc/61/84/60/918618460.db2.gz KELBCNWNDRQSFT-NRXISQOPSA-N 2 0 293.411 0.309 20 30 CCEDRP C[NH2+]C[C@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001333682281 919094422 /nfs/dbraw/zinc/09/44/22/919094422.db2.gz DACGGPFCGAFOHO-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC001335395652 920167062 /nfs/dbraw/zinc/16/70/62/920167062.db2.gz XHQBPPHQWNRHPS-KGLIPLIRSA-N 2 0 268.405 0.124 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC001340235654 922020799 /nfs/dbraw/zinc/02/07/99/922020799.db2.gz WGNWGFJJERHDPD-CQSZACIVSA-N 2 0 283.416 0.897 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340297404 922044588 /nfs/dbraw/zinc/04/45/88/922044588.db2.gz MGVFKOPORLXKAA-ZIAGYGMSSA-N 2 0 280.416 0.176 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340558366 922122755 /nfs/dbraw/zinc/12/27/55/922122755.db2.gz PZSMVGPFEWLPNM-GFCCVEGCSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001340852740 922246279 /nfs/dbraw/zinc/24/62/79/922246279.db2.gz ISVIIALEXGQWMM-CHWSQXEVSA-N 2 0 269.389 0.507 20 30 CCEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1CO ZINC001341577939 922560270 /nfs/dbraw/zinc/56/02/70/922560270.db2.gz GLVQHUDTTKISQN-UONOGXRCSA-N 2 0 285.432 0.857 20 30 CCEDRP C#CCNCC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001342321402 922911880 /nfs/dbraw/zinc/91/18/80/922911880.db2.gz UTBMVCHLBISHSE-UHFFFAOYSA-N 2 0 259.309 0.330 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001343670657 923410504 /nfs/dbraw/zinc/41/05/04/923410504.db2.gz CACAXMFPAZTKTB-AWEZNQCLSA-N 2 0 257.337 0.382 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001343873471 923487554 /nfs/dbraw/zinc/48/75/54/923487554.db2.gz ZEBYUYPZFAIUTO-FOGDFJRCSA-N 2 0 257.765 0.857 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC001353632594 925891863 /nfs/dbraw/zinc/89/18/63/925891863.db2.gz CZOBCVCFHFJPCV-SOUVJXGZSA-N 2 0 292.427 0.581 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001358300395 926668159 /nfs/dbraw/zinc/66/81/59/926668159.db2.gz CRKGEMGUFLZDAS-ZDUSSCGKSA-N 2 0 294.399 0.379 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC001448874527 931013614 /nfs/dbraw/zinc/01/36/14/931013614.db2.gz RIXQEVUIYWFWLD-UKRRQHHQSA-N 2 0 283.416 0.408 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601555186 362309731 /nfs/dbraw/zinc/30/97/31/362309731.db2.gz WSNXVPSJTXZBAW-FRRDWIJNSA-N 2 0 264.373 0.608 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000602532552 362661491 /nfs/dbraw/zinc/66/14/91/362661491.db2.gz YFMXBNMHXTUPOV-NEPJUHHUSA-N 2 0 252.362 0.464 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602582370 362690131 /nfs/dbraw/zinc/69/01/31/362690131.db2.gz XOHMPKJEFPXVQO-NEPJUHHUSA-N 2 0 252.362 0.737 20 30 CCEDRP Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1C#N ZINC000189578294 351690410 /nfs/dbraw/zinc/69/04/10/351690410.db2.gz MZCICBZDXSCVPN-UHFFFAOYSA-N 2 0 275.400 0.624 20 30 CCEDRP Cn1cc(CNC[C@@H](O)C[NH+]2CCCCC2)cc1C#N ZINC000190855585 351736769 /nfs/dbraw/zinc/73/67/69/351736769.db2.gz MZHJYJRKJGYIAW-OAHLLOKOSA-N 2 0 276.384 0.833 20 30 CCEDRP CN1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000226059812 352018904 /nfs/dbraw/zinc/01/89/04/352018904.db2.gz VNKGFYBSJJRZIH-HUUCEWRRSA-N 2 0 289.379 0.982 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)C(C)C ZINC000236663890 352203571 /nfs/dbraw/zinc/20/35/71/352203571.db2.gz GTAXIOKIRGSRHQ-GJZGRUSLSA-N 2 0 295.427 0.790 20 30 CCEDRP CC(C)(C)[C@H](CO)[NH2+]CC#CC[NH2+][C@@H](CO)C(C)(C)C ZINC000556531267 358553084 /nfs/dbraw/zinc/55/30/84/358553084.db2.gz SLBZFIDSIVVUEL-KBPBESRZSA-N 2 0 284.444 0.983 20 30 CCEDRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+]1CCCCC1 ZINC000584048073 359161341 /nfs/dbraw/zinc/16/13/41/359161341.db2.gz BSCAGDOBEWKFHK-JKSUJKDBSA-N 2 0 296.459 0.904 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCC[NH2+]C1 ZINC000594425550 360300341 /nfs/dbraw/zinc/30/03/41/360300341.db2.gz KXDXXMMJWLNKBL-AVGNSLFASA-N 2 0 266.389 0.902 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438738 360306849 /nfs/dbraw/zinc/30/68/49/360306849.db2.gz LDRZYSGNFBHAOF-GRYCIOLGSA-N 2 0 252.362 0.512 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594441232 360310172 /nfs/dbraw/zinc/31/01/72/360310172.db2.gz PKYSVDSPPIDWEK-QWHCGFSZSA-N 2 0 266.389 0.854 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCC[NH2+]C1CC1 ZINC000594449322 360314836 /nfs/dbraw/zinc/31/48/36/360314836.db2.gz GNFPMTMXZOFFKL-LBPRGKRZSA-N 2 0 252.362 0.656 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626971029 368703989 /nfs/dbraw/zinc/70/39/89/368703989.db2.gz YKMDJDIJQDUTPN-UHFFFAOYSA-N 2 0 298.431 0.692 20 30 CCEDRP CC#CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000283435231 388764668 /nfs/dbraw/zinc/76/46/68/388764668.db2.gz VTLQTSIBMGROLB-UHFFFAOYSA-N 2 0 286.379 0.733 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OC ZINC000104164478 389079798 /nfs/dbraw/zinc/07/97/98/389079798.db2.gz YWLQGOXKOMQNGP-ZDUSSCGKSA-N 2 0 291.399 0.979 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnn1C ZINC000104172002 389080330 /nfs/dbraw/zinc/08/03/30/389080330.db2.gz MVNJGUMCALLVKC-LBPRGKRZSA-N 2 0 264.377 0.309 20 30 CCEDRP CN(C(=[NH2+])NCCN1CCC[N@H+](C)CC1)C1CC1 ZINC000305802835 389088661 /nfs/dbraw/zinc/08/86/61/389088661.db2.gz FDVBZVLFEAJCKZ-UHFFFAOYSA-N 2 0 253.394 0.033 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857214 389274558 /nfs/dbraw/zinc/27/45/58/389274558.db2.gz XNXXOTBIHLAFSO-CYBMUJFWSA-N 2 0 294.399 0.416 20 30 CCEDRP CNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264075534 389304899 /nfs/dbraw/zinc/30/48/99/389304899.db2.gz FNDZVIDZTDKNGY-OAHLLOKOSA-N 2 0 289.427 0.899 20 30 CCEDRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NC)cc2)CC1 ZINC000264110407 389307172 /nfs/dbraw/zinc/30/71/72/389307172.db2.gz QPIMKBQLUSNOCH-UHFFFAOYSA-N 2 0 289.427 0.858 20 30 CCEDRP CN(C)C(=[NH2+])NCc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000164312801 389433216 /nfs/dbraw/zinc/43/32/16/389433216.db2.gz CNZLTOKYJHEMAS-UHFFFAOYSA-N 2 0 276.388 0.439 20 30 CCEDRP CCNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270584628 389434157 /nfs/dbraw/zinc/43/41/57/389434157.db2.gz QYFPNCCEZUPOSB-UHFFFAOYSA-N 2 0 265.361 0.446 20 30 CCEDRP COc1cc(C[NH2+]CCCN2CC[NH2+]CC2)ccc1C#N ZINC000414802311 389637515 /nfs/dbraw/zinc/63/75/15/389637515.db2.gz VLXZTUXCUMBCSB-UHFFFAOYSA-N 2 0 288.395 0.952 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000351473740 389585345 /nfs/dbraw/zinc/58/53/45/389585345.db2.gz WKIBELLGFZYQSD-IYBDPMFKSA-N 2 0 280.412 0.926 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178108504 389597351 /nfs/dbraw/zinc/59/73/51/389597351.db2.gz CNULORPELUWXSJ-HNNXBMFYSA-N 2 0 297.443 0.703 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431016974 389845142 /nfs/dbraw/zinc/84/51/42/389845142.db2.gz MHMNCTYKLXQFGD-UHFFFAOYSA-N 2 0 280.372 0.074 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431029152 389846505 /nfs/dbraw/zinc/84/65/05/389846505.db2.gz YORBAQMZRBCXFZ-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@@H]([C@H](C)[NH3+])C2)C1=O ZINC000420295306 389979657 /nfs/dbraw/zinc/97/96/57/389979657.db2.gz VFGCUPKBAVXIAT-XQQFMLRXSA-N 2 0 251.374 0.833 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000564922560 390498214 /nfs/dbraw/zinc/49/82/14/390498214.db2.gz YAPINOOOYBKYBF-OAHLLOKOSA-N 2 0 281.400 0.379 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759934 414770218 /nfs/dbraw/zinc/77/02/18/414770218.db2.gz UNUNYNBFHQJWRI-ZFWWWQNUSA-N 2 0 280.416 0.047 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662721121 414746177 /nfs/dbraw/zinc/74/61/77/414746177.db2.gz JPJXMHHNADRBNJ-OLZOCXBDSA-N 2 0 267.373 0.117 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[NH+]3CCC2CC3)CCC[NH2+]1 ZINC000662793599 414800261 /nfs/dbraw/zinc/80/02/61/414800261.db2.gz YJRFKBFUNNHQSW-HNNXBMFYSA-N 2 0 263.385 0.991 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000518362988 260383707 /nfs/dbraw/zinc/38/37/07/260383707.db2.gz XSCDLBUQTOFUPS-GPANFISMSA-N 2 0 296.459 0.903 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000104191963 260621098 /nfs/dbraw/zinc/62/10/98/260621098.db2.gz LWBAWOWZDOZQKW-ZDUSSCGKSA-N 2 0 295.431 0.410 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000342140920 263391163 /nfs/dbraw/zinc/39/11/63/263391163.db2.gz YPJTYIKAYQNQCO-SYMSYNOKSA-N 2 0 280.412 0.395 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261943721 328143298 /nfs/dbraw/zinc/14/32/98/328143298.db2.gz FDIMQQAGLQPAQC-BXUZGUMPSA-N 2 0 290.415 0.568 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288755246 328253565 /nfs/dbraw/zinc/25/35/65/328253565.db2.gz RMGOKNQBPXIHKH-UHFFFAOYSA-N 2 0 279.388 0.788 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000420295167 329760245 /nfs/dbraw/zinc/76/02/45/329760245.db2.gz PCNJNKXQLHPOKJ-DGCLKSJQSA-N 2 0 251.374 0.833 20 30 CCEDRP COC1CC[NH+](C(C)(C)CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262633313 330023471 /nfs/dbraw/zinc/02/34/71/330023471.db2.gz GEPJDTPJHMBCNJ-LLVKDONJSA-N 2 0 268.405 0.813 20 30 CCEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000262807915 330032905 /nfs/dbraw/zinc/03/29/05/330032905.db2.gz SRXDSRHSYMQVTI-QWHCGFSZSA-N 2 0 265.405 0.033 20 30 CCEDRP C[N@@H+]1CCN(CCNC(=[NH2+])NC(C)(C)C)CC1(C)C ZINC000262821931 330034149 /nfs/dbraw/zinc/03/41/49/330034149.db2.gz YONSLRQZAQYTRY-UHFFFAOYSA-N 2 0 269.437 0.715 20 30 CCEDRP [NH2+]=C(NCCN1C[C@H]2CC[C@@H](C1)O2)N1CCSCC1 ZINC000263135052 330045281 /nfs/dbraw/zinc/04/52/81/330045281.db2.gz NONULDYJDRRWJU-TXEJJXNPSA-N 2 0 284.429 0.213 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000263170215 330047141 /nfs/dbraw/zinc/04/71/41/330047141.db2.gz RYJCGGWZQZLRDV-NSHDSACASA-N 2 0 273.340 0.870 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000424134817 330267904 /nfs/dbraw/zinc/26/79/04/330267904.db2.gz NXNUKAYJURQVDT-XQQFMLRXSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141599 330283297 /nfs/dbraw/zinc/28/32/97/330283297.db2.gz GQWDAMQXAHYJGJ-KGYLQXTDSA-N 2 0 264.373 0.606 20 30 CCEDRP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424143700 330288007 /nfs/dbraw/zinc/28/80/07/330288007.db2.gz WVEZNCVWUUGPDX-ZDUSSCGKSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000424172820 330312847 /nfs/dbraw/zinc/31/28/47/330312847.db2.gz DOJSNJMNPDKDDO-SDDRHHMPSA-N 2 0 250.346 0.218 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000424179296 330318616 /nfs/dbraw/zinc/31/86/16/330318616.db2.gz SRHPMOCRWJOQQQ-VXGBXAGGSA-N 2 0 252.362 0.737 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000490897870 332126840 /nfs/dbraw/zinc/12/68/40/332126840.db2.gz GHGQNBRKSVXRPP-KBPBESRZSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+](C)C1CC1 ZINC000491535169 332231245 /nfs/dbraw/zinc/23/12/45/332231245.db2.gz AMUSCJSDWHMENO-UHFFFAOYSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000491645931 332263485 /nfs/dbraw/zinc/26/34/85/332263485.db2.gz QTFWJCRQNOWILC-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000491673326 332279620 /nfs/dbraw/zinc/27/96/20/332279620.db2.gz PZTDWBXABLRGNU-AWEZNQCLSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000491714314 332304941 /nfs/dbraw/zinc/30/49/41/332304941.db2.gz MHSDMXQZRSCAAK-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000491729918 332311977 /nfs/dbraw/zinc/31/19/77/332311977.db2.gz IWJDANQMXYEZDV-CHWSQXEVSA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000491775363 332341132 /nfs/dbraw/zinc/34/11/32/332341132.db2.gz FDEKNGBPTPJFTH-UHFFFAOYSA-N 2 0 266.389 0.383 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000491783876 332347428 /nfs/dbraw/zinc/34/74/28/332347428.db2.gz PTEXBRCLQNODJT-INIZCTEOSA-N 2 0 292.427 0.727 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000491809286 332362331 /nfs/dbraw/zinc/36/23/31/332362331.db2.gz XHKKOQKSCOZXLV-CQSZACIVSA-N 2 0 280.416 0.630 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@H](O)C1CC1)C[C@H](O)C1CC1 ZINC000671241805 545244634 /nfs/dbraw/zinc/24/46/34/545244634.db2.gz DVEMZEZWVATHHZ-HOTGVXAUSA-N 2 0 280.412 0.395 20 30 CCEDRP CC(C)[C@@H](CNC(=[NH2+])N(C)C1CC1)N1CC[NH+](C)CC1 ZINC000305814375 649880478 /nfs/dbraw/zinc/88/04/78/649880478.db2.gz LIGNIXLGLSNOAR-CQSZACIVSA-N 2 0 281.448 0.667 20 30 CCEDRP NC(=[NH2+])N=NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000779768542 581203438 /nfs/dbraw/zinc/20/34/38/581203438.db2.gz LTNPAJKDRWUMRT-UHFFFAOYSA-N 2 0 251.256 0.874 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000783531161 581348548 /nfs/dbraw/zinc/34/85/48/581348548.db2.gz HITWELPUCHQUMZ-LBPRGKRZSA-N 2 0 274.430 0.907 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000764509832 582054177 /nfs/dbraw/zinc/05/41/77/582054177.db2.gz WCGCXTMYARRDIO-AWEZNQCLSA-N 2 0 296.459 0.494 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000876847609 613388132 /nfs/dbraw/zinc/38/81/32/613388132.db2.gz CUTCYCGOKXYFOX-PWSUYJOCSA-N 2 0 275.780 0.341 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000963626372 612954770 /nfs/dbraw/zinc/95/47/70/612954770.db2.gz XZACLHJAGBVVDG-SWAPUOLTSA-N 2 0 275.396 0.731 20 30 CCEDRP C#CCOCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849017921 612984977 /nfs/dbraw/zinc/98/49/77/612984977.db2.gz NLYITNUKRWATKC-LBPRGKRZSA-N 2 0 252.362 0.234 20 30 CCEDRP C#CCN(C(=O)NCC[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000918171532 613067043 /nfs/dbraw/zinc/06/70/43/613067043.db2.gz QWXQKHCLJOWXMG-UHFFFAOYSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000868653632 613074521 /nfs/dbraw/zinc/07/45/21/613074521.db2.gz ZCQFXNHBHXRUAR-CABCVRRESA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1Cc2cncn2C1 ZINC000875623737 613076652 /nfs/dbraw/zinc/07/66/52/613076652.db2.gz UCRXGEXCIGCEGT-LBPRGKRZSA-N 2 0 275.356 0.062 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000836487200 613076695 /nfs/dbraw/zinc/07/66/95/613076695.db2.gz AMDDWHINZFPREN-LSDHHAIUSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831194224 613076939 /nfs/dbraw/zinc/07/69/39/613076939.db2.gz XPYNVVPWAHRNMC-ZDUSSCGKSA-N 2 0 278.400 0.383 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734881 613089157 /nfs/dbraw/zinc/08/91/57/613089157.db2.gz GRNXSUHQJPSNKK-ZDUSSCGKSA-N 2 0 261.369 0.248 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982012732 613142071 /nfs/dbraw/zinc/14/20/71/613142071.db2.gz FXHJVWFOTIXYNO-HUUCEWRRSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974998962 613296856 /nfs/dbraw/zinc/29/68/56/613296856.db2.gz XACWGEGGTCBJME-AWEZNQCLSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000900912664 613364807 /nfs/dbraw/zinc/36/48/07/613364807.db2.gz NNYFCWKGSCMUSF-GFCCVEGCSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000844024631 613366266 /nfs/dbraw/zinc/36/62/66/613366266.db2.gz OVTULGSQGTZVFG-OKILXGFUSA-N 2 0 283.416 0.672 20 30 CCEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979070122 613381559 /nfs/dbraw/zinc/38/15/59/613381559.db2.gz KXGCPYWXFIKDGQ-SYQHCUMBSA-N 2 0 297.830 0.985 20 30 CCEDRP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962553171 613382636 /nfs/dbraw/zinc/38/26/36/613382636.db2.gz LNBXYIQNYGVTII-WUHRBBMRSA-N 2 0 283.803 0.737 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000876772953 613389852 /nfs/dbraw/zinc/38/98/52/613389852.db2.gz JWEIXPQFOXAYMR-KOLCDFICSA-N 2 0 259.781 0.914 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCC[NH2+]1 ZINC000852880490 613422965 /nfs/dbraw/zinc/42/29/65/613422965.db2.gz AQGKBQYWWCEAJP-CMPLNLGQSA-N 2 0 273.327 0.798 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977901930 613560302 /nfs/dbraw/zinc/56/03/02/613560302.db2.gz AGKJRTSTGOCJFJ-XQLPTFJDSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961765696 613562892 /nfs/dbraw/zinc/56/28/92/613562892.db2.gz RUSORPDYAUYBAF-NYTXWWLZSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283161 613591242 /nfs/dbraw/zinc/59/12/42/613591242.db2.gz SJUWPSSFGMTJSX-CABCVRRESA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC000960599179 613635421 /nfs/dbraw/zinc/63/54/21/613635421.db2.gz ZMEOVGVVBMAJBH-LJISPDSOSA-N 2 0 275.396 0.540 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923493234 613778508 /nfs/dbraw/zinc/77/85/08/613778508.db2.gz FXLWVVOLYURFMA-AGIUHOORSA-N 2 0 251.374 0.690 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939543415 613868471 /nfs/dbraw/zinc/86/84/71/613868471.db2.gz CRIVORYDKCLYEG-CHWSQXEVSA-N 2 0 263.385 0.705 20 30 CCEDRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834499846 614324620 /nfs/dbraw/zinc/32/46/20/614324620.db2.gz NKHIMQCJNNOVHA-OLZOCXBDSA-N 2 0 264.373 0.335 20 30 CCEDRP CC(C)[N@@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852894588 614332283 /nfs/dbraw/zinc/33/22/83/614332283.db2.gz RPUUZUVGJCUSEA-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP CCCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[NH2+]C1 ZINC000884026726 614498891 /nfs/dbraw/zinc/49/88/91/614498891.db2.gz KJFYHUUWLSZQFZ-IQXANGCESA-N 2 0 290.411 0.726 20 30 CCEDRP CC1(C)CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH2+]C1 ZINC000877152968 614555558 /nfs/dbraw/zinc/55/55/58/614555558.db2.gz DJUHUFHEDCEIMV-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884176322 615145512 /nfs/dbraw/zinc/14/55/12/615145512.db2.gz CENYDMQELWYASJ-WJEHIRDRSA-N 2 0 290.411 0.726 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCC(C)C)CC1 ZINC000104167479 615161916 /nfs/dbraw/zinc/16/19/16/615161916.db2.gz DOGGHGPTRMKJON-CYBMUJFWSA-N 2 0 269.437 0.573 20 30 CCEDRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884434605 615579689 /nfs/dbraw/zinc/57/96/89/615579689.db2.gz RBRXGGIOQFHOTL-GOIIMFGCSA-N 2 0 276.384 0.382 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000852866146 615760217 /nfs/dbraw/zinc/76/02/17/615760217.db2.gz SRSOMHSYXLVEFM-OAHLLOKOSA-N 2 0 275.396 0.685 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000913523548 615860397 /nfs/dbraw/zinc/86/03/97/615860397.db2.gz DVQWTPPCPRQWJD-GFCCVEGCSA-N 2 0 251.374 0.540 20 30 CCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C[NH+]1CCCC1 ZINC000874192864 615880073 /nfs/dbraw/zinc/88/00/73/615880073.db2.gz YUYRMMVVGAYYGL-UHFFFAOYSA-N 2 0 266.389 0.776 20 30 CCEDRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834494481 615954993 /nfs/dbraw/zinc/95/49/93/615954993.db2.gz NJGGPIFWOGOMRP-KBPBESRZSA-N 2 0 272.352 0.590 20 30 CCEDRP CN(CC[NH3+])C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876919322 616084551 /nfs/dbraw/zinc/08/45/51/616084551.db2.gz TUBSAMTZWWSCBN-CYBMUJFWSA-N 2 0 258.325 0.162 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000852887462 616197517 /nfs/dbraw/zinc/19/75/17/616197517.db2.gz AMGBOQDYIMHKQW-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C#N)o1)C2 ZINC000903494951 616801890 /nfs/dbraw/zinc/80/18/90/616801890.db2.gz RXZZXURJTLICBQ-RWSFTLGLSA-N 2 0 289.335 0.864 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852790643 616980970 /nfs/dbraw/zinc/98/09/70/616980970.db2.gz SREBCQYFFPIQQW-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876978708 616991689 /nfs/dbraw/zinc/99/16/89/616991689.db2.gz TYPJDDKCMFKNFQ-IINYFYTJSA-N 2 0 272.352 0.469 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148414 625343829 /nfs/dbraw/zinc/34/38/29/625343829.db2.gz HJOFBVJIAUGUPK-NPCUJANDSA-N 2 0 289.423 0.929 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372154 623017705 /nfs/dbraw/zinc/01/77/05/623017705.db2.gz OQORUFAASRPORP-GDBMZVCRSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598217 623842460 /nfs/dbraw/zinc/84/24/60/623842460.db2.gz WHNDEUWITHGAKV-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001020519181 624500162 /nfs/dbraw/zinc/50/01/62/624500162.db2.gz BHORPTGHFWPRMQ-JOCQHMNTSA-N 2 0 275.352 0.825 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121221 624876326 /nfs/dbraw/zinc/87/63/26/624876326.db2.gz AMVCMXUCLYYNIJ-XJFOESAGSA-N 2 0 279.384 0.272 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680343 630849243 /nfs/dbraw/zinc/84/92/43/630849243.db2.gz DBEJZIMNPIZZDY-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841850109 631603806 /nfs/dbraw/zinc/60/38/06/631603806.db2.gz XNUNUKAQMJMTTL-UZWSLXQKSA-N 2 0 250.346 0.122 20 30 CCEDRP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261995599 631746088 /nfs/dbraw/zinc/74/60/88/631746088.db2.gz SHUBOGLTZUPYSY-TZMCWYRMSA-N 2 0 294.443 0.939 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432085 632479871 /nfs/dbraw/zinc/47/98/71/632479871.db2.gz CRABLWORRXIFQY-INIZCTEOSA-N 2 0 289.423 0.884 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000262821849 632749149 /nfs/dbraw/zinc/74/91/49/632749149.db2.gz YMUMYTZNJPINGK-UHFFFAOYSA-N 2 0 267.421 0.493 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987257924 632849173 /nfs/dbraw/zinc/84/91/73/632849173.db2.gz ZPUAUYQLKCZJDV-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)CCO3)CCC[C@@H]12 ZINC000990120914 633448712 /nfs/dbraw/zinc/44/87/12/633448712.db2.gz KXOTZLFQKCSEON-IIAWOOMASA-N 2 0 293.411 0.616 20 30 CCEDRP CC(C)[C@@H](CNC(=[NH2+])N(C)C)N1CC[NH+](C)CC1 ZINC000170910328 637105405 /nfs/dbraw/zinc/10/54/05/637105405.db2.gz KOCPMQCGAMYBHZ-GFCCVEGCSA-N 2 0 255.410 0.135 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CC1(C)C ZINC000996648366 638826462 /nfs/dbraw/zinc/82/64/62/638826462.db2.gz RMVXUKUIVKRDFG-KGLIPLIRSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997009151 638848407 /nfs/dbraw/zinc/84/84/07/638848407.db2.gz OZOWUFXXTZYTDG-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001014456124 650453193 /nfs/dbraw/zinc/45/31/93/650453193.db2.gz NIFCFUQVBQKHAS-GJZGRUSLSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCF)C2)CC1 ZINC001000993802 639212067 /nfs/dbraw/zinc/21/20/67/639212067.db2.gz TUSPIXHLWBYDHG-OAHLLOKOSA-N 2 0 295.402 0.882 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832912 639466448 /nfs/dbraw/zinc/46/64/48/639466448.db2.gz NEWNWAVAVNKZGC-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000923478668 640158749 /nfs/dbraw/zinc/15/87/49/640158749.db2.gz FZWZREAQJXBWFT-GJZGRUSLSA-N 2 0 289.379 0.969 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655257 650602541 /nfs/dbraw/zinc/60/25/41/650602541.db2.gz MHTPREMISVBDRP-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001016328465 650718457 /nfs/dbraw/zinc/71/84/57/650718457.db2.gz CRRDILMWXPNAKB-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016534493 650742270 /nfs/dbraw/zinc/74/22/70/650742270.db2.gz AYNXXKOLDVNNMU-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000834493194 642584103 /nfs/dbraw/zinc/58/41/03/642584103.db2.gz BPFLTSKDRWEUMP-JHJVBQTASA-N 2 0 264.373 0.512 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000834500099 642588726 /nfs/dbraw/zinc/58/87/26/642588726.db2.gz QDIBPVNVHLMTGD-ZYHUDNBSSA-N 2 0 255.281 0.176 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000841849586 642843568 /nfs/dbraw/zinc/84/35/68/642843568.db2.gz BZWFSKQDXYEMPP-XNRPHZJLSA-N 2 0 284.363 0.145 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000841849644 642843920 /nfs/dbraw/zinc/84/39/20/642843920.db2.gz DWWWJXNGBWHAPK-MRVWCRGKSA-N 2 0 270.336 0.101 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000852860813 644028306 /nfs/dbraw/zinc/02/83/06/644028306.db2.gz VMBRCDIDVKWLML-UHFFFAOYSA-N 2 0 275.396 0.544 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000852880640 644039869 /nfs/dbraw/zinc/03/98/69/644039869.db2.gz NWTZOUMZNLSNEI-MRXNPFEDSA-N 2 0 289.423 0.838 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000852893507 644047278 /nfs/dbraw/zinc/04/72/78/644047278.db2.gz HTWIJQXIFWNHCN-AWEZNQCLSA-N 2 0 275.396 0.780 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001019299626 650958797 /nfs/dbraw/zinc/95/87/97/650958797.db2.gz XMJOKXSMSMZBFL-ZDUSSCGKSA-N 2 0 275.352 0.779 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514211 646615742 /nfs/dbraw/zinc/61/57/42/646615742.db2.gz UUVGSDPIIBQEBD-BBRMVZONSA-N 2 0 298.390 0.942 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837091 646677763 /nfs/dbraw/zinc/67/77/63/646677763.db2.gz DSVADSFLHSNRME-IJEWVQPXSA-N 2 0 296.374 0.423 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000884202354 647667642 /nfs/dbraw/zinc/66/76/42/647667642.db2.gz WZJVYDHIDQFMEC-LGESCRJUSA-N 2 0 288.395 0.479 20 30 CCEDRP C[C@@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCC[NH2+]C1 ZINC000884247236 647678186 /nfs/dbraw/zinc/67/81/86/647678186.db2.gz NOUIKDSJBNACSV-GOPBEWJXSA-N 2 0 290.411 0.632 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[NH2+]C13CCC3)C2 ZINC000884431499 647735769 /nfs/dbraw/zinc/73/57/69/647735769.db2.gz WADWUHMYDXPWGS-ICRTXTNUSA-N 2 0 288.395 0.527 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@@H]([NH3+])C1)C2 ZINC000884449906 647741291 /nfs/dbraw/zinc/74/12/91/647741291.db2.gz RVKQDFDNHFQRON-IOSBVQAASA-N 2 0 290.411 0.856 20 30 CCEDRP CCCNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303779625 649825222 /nfs/dbraw/zinc/82/52/22/649825222.db2.gz KSEUXABOCFEYIB-GFCCVEGCSA-N 2 0 256.394 0.658 20 30 CCEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])NC2CC2)C[C@H](C)O1 ZINC000303255106 649813379 /nfs/dbraw/zinc/81/33/79/649813379.db2.gz FYBXVZMBXKMAPZ-PHIMTYICSA-N 2 0 254.378 0.552 20 30 CCEDRP C[NH+]=C(NC[C@H](C(C)C)N1CC[NH+](C)CC1)NC1CC1 ZINC000303391791 649818252 /nfs/dbraw/zinc/81/82/52/649818252.db2.gz FCOJYYLNKRRUIG-CQSZACIVSA-N 2 0 281.448 0.586 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000303398363 649818333 /nfs/dbraw/zinc/81/83/33/649818333.db2.gz JIKRKVDPLAIWJX-GXTWGEPZSA-N 2 0 292.383 0.808 20 30 CCEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000303408241 649819286 /nfs/dbraw/zinc/81/92/86/649819286.db2.gz TUHHXXNHAVDTTI-CMPLNLGQSA-N 2 0 254.378 0.552 20 30 CCEDRP CC(C)(C)NC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303867636 649825987 /nfs/dbraw/zinc/82/59/87/649825987.db2.gz ABWHFQHURHFQJW-UHFFFAOYSA-N 2 0 297.447 0.667 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC)C1 ZINC000303881393 649826183 /nfs/dbraw/zinc/82/61/83/649826183.db2.gz HRVLHEPHFQCTKJ-GFCCVEGCSA-N 2 0 256.394 0.659 20 30 CCEDRP C[NH+]1CCC(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303890366 649826564 /nfs/dbraw/zinc/82/65/64/649826564.db2.gz QAWIKGOUEAQGMN-UHFFFAOYSA-N 2 0 256.419 0.692 20 30 CCEDRP CCCNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303990919 649827945 /nfs/dbraw/zinc/82/79/45/649827945.db2.gz ZAXXKBUPWOTCJZ-LBPRGKRZSA-N 2 0 283.420 0.243 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304719501 649837588 /nfs/dbraw/zinc/83/75/88/649837588.db2.gz OCWHLOFWUCYAFL-UHFFFAOYSA-N 2 0 269.437 0.573 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305015468 649840586 /nfs/dbraw/zinc/84/05/86/649840586.db2.gz LUNZYHYXKXCEOP-KGLIPLIRSA-N 2 0 298.431 0.571 20 30 CCEDRP C=CC[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001266274823 790379694 /nfs/dbraw/zinc/37/96/94/790379694.db2.gz CGEQUFUXZAUKMP-UHFFFAOYSA-N 2 0 279.388 0.292 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210492958 790896275 /nfs/dbraw/zinc/89/62/75/790896275.db2.gz GKIWSGHRQWLUHO-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266577776 790956923 /nfs/dbraw/zinc/95/69/23/790956923.db2.gz YVWQBMANVXPCRX-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001267113219 791554564 /nfs/dbraw/zinc/55/45/64/791554564.db2.gz GTQSJPULRGJCNW-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001278106438 806676376 /nfs/dbraw/zinc/67/63/76/806676376.db2.gz ZEFOPEIBTFVLHV-LSDHHAIUSA-N 2 0 295.427 0.197 20 30 CCEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC#CCOC ZINC001161227269 800214821 /nfs/dbraw/zinc/21/48/21/800214821.db2.gz VVHHBJQURWMWBW-UHFFFAOYSA-N 2 0 283.416 0.462 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194651 800322631 /nfs/dbraw/zinc/32/26/31/800322631.db2.gz VAWTVTRIMSHVRJ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001150318845 800330094 /nfs/dbraw/zinc/33/00/94/800330094.db2.gz VDBIKUARNVVDDZ-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471160 800526789 /nfs/dbraw/zinc/52/67/89/800526789.db2.gz ITMSTIFBNVCNEP-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[NH2+]C3(CC3)C1)C[NH2+]CCC2 ZINC001158933955 801725630 /nfs/dbraw/zinc/72/56/30/801725630.db2.gz WXIXPOOSRLHFOG-UHFFFAOYSA-N 2 0 283.379 0.931 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159846708 801880243 /nfs/dbraw/zinc/88/02/43/801880243.db2.gz RQCSEJARHBREKU-CQSZACIVSA-N 2 0 265.401 0.693 20 30 CCEDRP C[NH+](C)C1(C)CN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001160645137 801986867 /nfs/dbraw/zinc/98/68/67/801986867.db2.gz OHVADQOIDUQGSH-AWEZNQCLSA-N 2 0 286.379 0.591 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160670218 801995837 /nfs/dbraw/zinc/99/58/37/801995837.db2.gz VVQMMJKANDLIIB-HNNXBMFYSA-N 2 0 286.379 0.866 20 30 CCEDRP CCCCN(CC#N)C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160730518 802012337 /nfs/dbraw/zinc/01/23/37/802012337.db2.gz QMBGDRDUSUGRPF-LBPRGKRZSA-N 2 0 254.378 0.985 20 30 CCEDRP C#CC[C@H]([NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161205176 802109115 /nfs/dbraw/zinc/10/91/15/802109115.db2.gz JPXGJTRDXRKJSB-AWEZNQCLSA-N 2 0 263.385 0.575 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166751776 802956555 /nfs/dbraw/zinc/95/65/55/802956555.db2.gz WECGYCCMMWTMPX-UHFFFAOYSA-N 2 0 287.407 0.890 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932865 803054772 /nfs/dbraw/zinc/05/47/72/803054772.db2.gz PQWCATHBLUFDIV-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350986 814219958 /nfs/dbraw/zinc/21/99/58/814219958.db2.gz NVLTUUFPFSCCOC-HIFRSBDPSA-N 2 0 263.385 0.352 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209305289 803591770 /nfs/dbraw/zinc/59/17/70/803591770.db2.gz XTPSJRWGJQYKLJ-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315054 803647808 /nfs/dbraw/zinc/64/78/08/803647808.db2.gz KLBSVHBIMCBKGF-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276705571 803704218 /nfs/dbraw/zinc/70/42/18/803704218.db2.gz ZBAHGTXOQIGHQJ-QWHCGFSZSA-N 2 0 251.374 0.609 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847463 803761824 /nfs/dbraw/zinc/76/18/24/803761824.db2.gz FSZUIMCTSUTQEF-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540977 803819000 /nfs/dbraw/zinc/81/90/00/803819000.db2.gz TWMCNCLEEVEGNJ-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C[N+](C)(C)C[C@@H](CC#N)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217865426 803920962 /nfs/dbraw/zinc/92/09/62/803920962.db2.gz JRKZVJGEKXNMBO-YJNKXOJESA-N 2 0 282.408 0.758 20 30 CCEDRP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218211436 803938041 /nfs/dbraw/zinc/93/80/41/803938041.db2.gz ZKFCHZHFKFCJOR-KBPBESRZSA-N 2 0 275.352 0.339 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001218649497 804058575 /nfs/dbraw/zinc/05/85/75/804058575.db2.gz CKOUFIMXOMBYAT-SNVBAGLBSA-N 2 0 289.339 0.667 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001218649849 804061525 /nfs/dbraw/zinc/06/15/25/804061525.db2.gz LADFRUTTYQKYPY-QMMMGPOBSA-N 2 0 251.290 0.250 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(C#N)cnc1C ZINC001218658497 804068197 /nfs/dbraw/zinc/06/81/97/804068197.db2.gz FHIXWLIRHCTFGL-LBPRGKRZSA-N 2 0 275.356 0.917 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218978773 804172520 /nfs/dbraw/zinc/17/25/20/804172520.db2.gz FDNCRVHMOKELNZ-NSHDSACASA-N 2 0 286.335 0.314 20 30 CCEDRP COc1cccc(NC(=O)[C@H]([NH3+])CCC[NH3+])c1C#N ZINC001218979216 804173377 /nfs/dbraw/zinc/17/33/77/804173377.db2.gz ZPFQRUIHLOMSPU-SNVBAGLBSA-N 2 0 262.313 0.572 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C#N)c1 ZINC001219393367 804296301 /nfs/dbraw/zinc/29/63/01/804296301.db2.gz MAFSOTVVAXMICU-CZUORRHYSA-N 2 0 295.346 0.568 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(C#N)c1 ZINC001219393504 804298458 /nfs/dbraw/zinc/29/84/58/804298458.db2.gz NPKXJPUOIRWXRB-NSHDSACASA-N 2 0 257.297 0.435 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705444 804410907 /nfs/dbraw/zinc/41/09/07/804410907.db2.gz JIDWXORVTZRAHP-HNNXBMFYSA-N 2 0 257.337 0.299 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227590 804543817 /nfs/dbraw/zinc/54/38/17/804543817.db2.gz VWFFCHYQVXNNJH-OLZOCXBDSA-N 2 0 281.400 0.066 20 30 CCEDRP O=C(NCCCS)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220585342 804631961 /nfs/dbraw/zinc/63/19/61/804631961.db2.gz HSVSZBYQQZRDDH-SNVBAGLBSA-N 2 0 257.403 0.297 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220699913 804651712 /nfs/dbraw/zinc/65/17/12/804651712.db2.gz BDKWWAWIZQOJOH-MBNYWOFBSA-N 2 0 264.373 0.240 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220817406 804672585 /nfs/dbraw/zinc/67/25/85/804672585.db2.gz VMBVTRUEMVIKLC-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220868372 804685727 /nfs/dbraw/zinc/68/57/27/804685727.db2.gz HMJOJFINOKNJAR-ZQDZILKHSA-N 2 0 293.411 0.520 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001221088980 804728852 /nfs/dbraw/zinc/72/88/52/804728852.db2.gz BROHUOACRRSKJT-LBPRGKRZSA-N 2 0 261.329 0.026 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001221406789 804798408 /nfs/dbraw/zinc/79/84/08/804798408.db2.gz IKLIORMLIFHRGY-SCRDCRAPSA-N 2 0 251.374 0.572 20 30 CCEDRP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001272171583 815037117 /nfs/dbraw/zinc/03/71/17/815037117.db2.gz AFYQPJSRCGCQLC-HNNXBMFYSA-N 2 0 297.443 0.921 20 30 CCEDRP C=CCn1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222090400 804865683 /nfs/dbraw/zinc/86/56/83/804865683.db2.gz ACZMWHNMTRCGSG-UHFFFAOYSA-N 2 0 275.400 0.597 20 30 CCEDRP C[NH+]1CCN(CCO[C@H](CC#N)C[N+](C)(C)C)CC1 ZINC001224550902 805053094 /nfs/dbraw/zinc/05/30/94/805053094.db2.gz ATLYLLWXBXDYLD-CQSZACIVSA-N 2 0 269.413 0.239 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC001229860452 805560852 /nfs/dbraw/zinc/56/08/52/805560852.db2.gz TUIUVGAHOMZXSA-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C=C[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246046008 807131400 /nfs/dbraw/zinc/13/14/00/807131400.db2.gz MLRHBHVHTMZCFC-BPLDGKMQSA-N 2 0 282.384 0.398 20 30 CCEDRP N#Cc1cnc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246352618 807230819 /nfs/dbraw/zinc/23/08/19/807230819.db2.gz STLJRJWJFCFJRC-VIFPVBQESA-N 2 0 263.370 0.198 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001278486766 807463028 /nfs/dbraw/zinc/46/30/28/807463028.db2.gz JKMQTWLCVATUFX-RRFJBIMHSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472371 815143206 /nfs/dbraw/zinc/14/32/06/815143206.db2.gz UOSLAXXOLYFJJZ-SYQHCUMBSA-N 2 0 281.400 0.064 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001252472233 807883990 /nfs/dbraw/zinc/88/39/90/807883990.db2.gz QFXSVVVRYMSBAY-MJBXVCDLSA-N 2 0 254.374 0.433 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252481677 807886891 /nfs/dbraw/zinc/88/68/91/807886891.db2.gz FOVMZXJOVSWTJP-AWEZNQCLSA-N 2 0 285.432 0.166 20 30 CCEDRP C=CCC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252603217 807919011 /nfs/dbraw/zinc/91/90/11/807919011.db2.gz PVXVJFYINFHVHT-OAHLLOKOSA-N 2 0 269.433 0.883 20 30 CCEDRP C=C[C@@H](O)C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001253599742 808094959 /nfs/dbraw/zinc/09/49/59/808094959.db2.gz SHFPKMVTEGPYJJ-QGZVFWFLSA-N 2 0 289.423 0.941 20 30 CCEDRP C[NH+]1CCN(CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC001256954520 808572272 /nfs/dbraw/zinc/57/22/72/808572272.db2.gz IKGHPFVBVQECCX-UHFFFAOYSA-N 2 0 250.390 0.906 20 30 CCEDRP C[N@H+]1CC=C(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001262566898 809347491 /nfs/dbraw/zinc/34/74/91/809347491.db2.gz DDBBWMIZFXIQNL-HNNXBMFYSA-N 2 0 293.411 0.909 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001263168836 809468147 /nfs/dbraw/zinc/46/81/47/809468147.db2.gz XXJSDJJRKUVSFM-QWHCGFSZSA-N 2 0 269.389 0.243 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001263995749 809619319 /nfs/dbraw/zinc/61/93/19/809619319.db2.gz KLMNEHYBXINOBJ-YNEHKIRRSA-N 2 0 251.374 0.561 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264055877 809627400 /nfs/dbraw/zinc/62/74/00/809627400.db2.gz RNMOQFVCECZMQS-BFHYXJOUSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001264406579 809652981 /nfs/dbraw/zinc/65/29/81/809652981.db2.gz DKQMANZVTGZTAQ-OKILXGFUSA-N 2 0 295.427 0.768 20 30 CCEDRP C=CCC[NH+]1CCN(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001265266320 809736191 /nfs/dbraw/zinc/73/61/91/809736191.db2.gz IRCWYDBDRPLTNW-UHFFFAOYSA-N 2 0 296.459 0.637 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001265377908 809767670 /nfs/dbraw/zinc/76/76/70/809767670.db2.gz DVATVRVBEDIUMC-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001265655167 809820923 /nfs/dbraw/zinc/82/09/23/809820923.db2.gz BCKNVRJOIJKABN-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267283008 811091852 /nfs/dbraw/zinc/09/18/52/811091852.db2.gz ZMECUHWMCRIBIU-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCN1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267750167 811744188 /nfs/dbraw/zinc/74/41/88/811744188.db2.gz YORFFYAJNAUTMC-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908162 811767764 /nfs/dbraw/zinc/76/77/64/811767764.db2.gz LZSUIUKJKROROB-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001267849431 811833901 /nfs/dbraw/zinc/83/39/01/811833901.db2.gz PFYZLEHFAGGJNR-HOCLYGCPSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001268036843 812056602 /nfs/dbraw/zinc/05/66/02/812056602.db2.gz CRJSVFYHAOIXCL-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027931758 812149797 /nfs/dbraw/zinc/14/97/97/812149797.db2.gz KCWAMDKJWHAUKG-KGLIPLIRSA-N 2 0 286.379 0.974 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001268239799 812404626 /nfs/dbraw/zinc/40/46/26/812404626.db2.gz RATSIWKJNIGYJD-ZDUSSCGKSA-N 2 0 271.380 0.690 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544581 812832428 /nfs/dbraw/zinc/83/24/28/812832428.db2.gz GFOAVYHXSUFHRG-GOEBONIOSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001268735084 813048422 /nfs/dbraw/zinc/04/84/22/813048422.db2.gz DQDPVBWTIDAHHY-KGLIPLIRSA-N 2 0 288.395 0.905 20 30 CCEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269071629 813207793 /nfs/dbraw/zinc/20/77/93/813207793.db2.gz NHDKUAJIVNPPGZ-MRVWCRGKSA-N 2 0 265.401 0.997 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001269105529 813218973 /nfs/dbraw/zinc/21/89/73/813218973.db2.gz VHJCMORZTHXBMC-KBPBESRZSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269192250 813257953 /nfs/dbraw/zinc/25/79/53/813257953.db2.gz PYYWSIOMLVUBRQ-CABCVRRESA-N 2 0 297.443 0.966 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001269510641 813398233 /nfs/dbraw/zinc/39/82/33/813398233.db2.gz RXJQSWHUTBNQSD-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270067194 813610687 /nfs/dbraw/zinc/61/06/87/813610687.db2.gz RSSMLSOIUOUMHH-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028929507 813669916 /nfs/dbraw/zinc/66/99/16/813669916.db2.gz GUXLYFGRUZBZOD-ZDUSSCGKSA-N 2 0 261.369 0.154 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028987227 813726617 /nfs/dbraw/zinc/72/66/17/813726617.db2.gz WKINHRDIKWGJPJ-ZIAGYGMSSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001029002350 813743899 /nfs/dbraw/zinc/74/38/99/813743899.db2.gz PRXDGVIBISSRRV-HNNXBMFYSA-N 2 0 287.407 0.403 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168051737 814409047 /nfs/dbraw/zinc/40/90/47/814409047.db2.gz HWPSAGOXFTZSAA-UHFFFAOYSA-N 2 0 291.399 0.178 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271522878 814470085 /nfs/dbraw/zinc/47/00/85/814470085.db2.gz YFUSLOJKHSOBOO-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271996227 814670417 /nfs/dbraw/zinc/67/04/17/814670417.db2.gz JWDCGQDOMGLWJL-GDBMZVCRSA-N 2 0 295.427 0.457 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983481 816203651 /nfs/dbraw/zinc/20/36/51/816203651.db2.gz ZHYXSTCUWAZRJE-OLZOCXBDSA-N 2 0 261.369 0.294 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001272315600 816303927 /nfs/dbraw/zinc/30/39/27/816303927.db2.gz SDLJJKKMCNYJAY-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255344 816465882 /nfs/dbraw/zinc/46/58/82/816465882.db2.gz IVFXRFLFVHPRAW-KBPBESRZSA-N 2 0 263.385 0.590 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001121931751 816486499 /nfs/dbraw/zinc/48/64/99/816486499.db2.gz ROBBYELPWJZWIE-SDDRHHMPSA-N 2 0 250.346 0.087 20 30 CCEDRP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641033 816901385 /nfs/dbraw/zinc/90/13/85/816901385.db2.gz AKAYBDQEGGSHIK-OAHLLOKOSA-N 2 0 277.412 0.934 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031579190 817158732 /nfs/dbraw/zinc/15/87/32/817158732.db2.gz DBPBJHQVKVATIB-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031674266 817236914 /nfs/dbraw/zinc/23/69/14/817236914.db2.gz FWOFNSPFOALUDH-OAHLLOKOSA-N 2 0 277.412 0.952 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001031714851 817279165 /nfs/dbraw/zinc/27/91/65/817279165.db2.gz NLCFMGKZVQINEO-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031919642 817464968 /nfs/dbraw/zinc/46/49/68/817464968.db2.gz GJGGWTKQHPVMBQ-AWEZNQCLSA-N 2 0 281.400 0.330 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984084 817571032 /nfs/dbraw/zinc/57/10/32/817571032.db2.gz XPOFLUUGADYSNL-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001032205621 817702477 /nfs/dbraw/zinc/70/24/77/817702477.db2.gz CYQVQNAIASJVEL-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035794673 819626552 /nfs/dbraw/zinc/62/65/52/819626552.db2.gz IVUSZDCNELAXIT-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036054789 819678829 /nfs/dbraw/zinc/67/88/29/819678829.db2.gz MNARIZMINJCUGV-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001273186373 820096808 /nfs/dbraw/zinc/09/68/08/820096808.db2.gz LRHJLINBHSHTIA-UHFFFAOYSA-N 2 0 275.396 0.734 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559042 820999754 /nfs/dbraw/zinc/99/97/54/820999754.db2.gz QPEWMGDJWGZEJS-BNOWGMLFSA-N 2 0 265.401 0.949 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954220 821165008 /nfs/dbraw/zinc/16/50/08/821165008.db2.gz PTIDKMSYARFBEO-ZNMIVQPWSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084230695 821248033 /nfs/dbraw/zinc/24/80/33/821248033.db2.gz DLOZCENKROEDIS-HZSPNIEDSA-N 2 0 263.385 0.799 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084831353 821405013 /nfs/dbraw/zinc/40/50/13/821405013.db2.gz IKMHRKXDLMICNN-RBSFLKMASA-N 2 0 275.396 0.494 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001273301464 821576130 /nfs/dbraw/zinc/57/61/30/821576130.db2.gz UQJHCGWAQAWKSU-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001085798986 821959484 /nfs/dbraw/zinc/95/94/84/821959484.db2.gz GEMKNKHWPSWYFB-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086270568 822181623 /nfs/dbraw/zinc/18/16/23/822181623.db2.gz KFESHPYURVMYCL-MELADBBJSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086477989 822273398 /nfs/dbraw/zinc/27/33/98/822273398.db2.gz FFYOHCQBFZJLSL-XDQVBPFNSA-N 2 0 265.401 0.855 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297181 837752061 /nfs/dbraw/zinc/75/20/61/837752061.db2.gz IVWHWOVZBLYFSG-NSHDSACASA-N 2 0 259.781 0.929 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130300226 837753510 /nfs/dbraw/zinc/75/35/10/837753510.db2.gz KHZUIKBSDKRFLC-CYBMUJFWSA-N 2 0 269.389 0.379 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940510 844115977 /nfs/dbraw/zinc/11/59/77/844115977.db2.gz YZBVTTRSGVBCHI-CQSZACIVSA-N 2 0 275.396 0.829 20 30 CCEDRP C#CCOCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169111845 836152088 /nfs/dbraw/zinc/15/20/88/836152088.db2.gz QHBBPMDGYCOQQS-QKDCVEJESA-N 2 0 266.385 0.868 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115306539 836496377 /nfs/dbraw/zinc/49/63/77/836496377.db2.gz QLQMGQIRKUGUHM-JJXSEGSLSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108749583 836521714 /nfs/dbraw/zinc/52/17/14/836521714.db2.gz FPGDXMZGYITUNB-KKUMJFAQSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800359 836529162 /nfs/dbraw/zinc/52/91/62/836529162.db2.gz BGAHPSSGVQLFRZ-KKUMJFAQSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132736903 838481434 /nfs/dbraw/zinc/48/14/34/838481434.db2.gz FPOZQAQTYRTFJD-CQSZACIVSA-N 2 0 265.401 0.838 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132852593 838508618 /nfs/dbraw/zinc/50/86/18/838508618.db2.gz RZCMTXLAJJETJP-ZDUSSCGKSA-N 2 0 269.389 0.378 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090404 838553949 /nfs/dbraw/zinc/55/39/49/838553949.db2.gz HDDZHQWEPNLBQH-KGLIPLIRSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245527 838582727 /nfs/dbraw/zinc/58/27/27/838582727.db2.gz GNONZSDOQZIURB-GJZGRUSLSA-N 2 0 297.443 0.825 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133905561 838771865 /nfs/dbraw/zinc/77/18/65/838771865.db2.gz DGBKLXFKQMOECL-UHFFFAOYSA-N 2 0 283.416 0.320 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021343 838818766 /nfs/dbraw/zinc/81/87/66/838818766.db2.gz ZEKSGRHMKPJWHC-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758207 839071748 /nfs/dbraw/zinc/07/17/48/839071748.db2.gz ZUPBHJILHKZARH-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650382 844441837 /nfs/dbraw/zinc/44/18/37/844441837.db2.gz IFRBLLYTORGEAM-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185659280 844443900 /nfs/dbraw/zinc/44/39/00/844443900.db2.gz FXTXEFZWMGPKKX-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092010940 840985715 /nfs/dbraw/zinc/98/57/15/840985715.db2.gz OWWNIBFRCDLNLG-UXLLHSPISA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275494 841005866 /nfs/dbraw/zinc/00/58/66/841005866.db2.gz FSOKXSKWDDUJSS-ZBFHGGJFSA-N 2 0 275.396 0.496 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092509553 841030397 /nfs/dbraw/zinc/03/03/97/841030397.db2.gz DFTNASBKQQRJNE-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895361 841627427 /nfs/dbraw/zinc/62/74/27/841627427.db2.gz HXEJHJLQFHZBHQ-UONOGXRCSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895873 841663411 /nfs/dbraw/zinc/66/34/11/841663411.db2.gz FWJYWKVDYCGBJA-HUUCEWRRSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094577713 841672980 /nfs/dbraw/zinc/67/29/80/841672980.db2.gz MBMGLAZEYQXTNH-BFYDXBDKSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCOCCOCC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172247958 841910509 /nfs/dbraw/zinc/91/05/09/841910509.db2.gz RVVQRONYWSCXGD-UHFFFAOYSA-N 2 0 298.427 0.743 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCCC#N ZINC001172493382 841934348 /nfs/dbraw/zinc/93/43/48/841934348.db2.gz ZJTJDQPRGPSYLM-RYUDHWBXSA-N 2 0 254.378 0.902 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001176925822 842452122 /nfs/dbraw/zinc/45/21/22/842452122.db2.gz CBYOLSZMKRDJPD-UHFFFAOYSA-N 2 0 261.369 0.061 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359440 843006866 /nfs/dbraw/zinc/00/68/66/843006866.db2.gz SFJYTQXOXHHYAQ-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP N#Cc1cc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])ccc1F ZINC001181195839 843422102 /nfs/dbraw/zinc/42/21/02/843422102.db2.gz QHQDGVLJYKTAJQ-UHFFFAOYSA-N 2 0 291.330 0.701 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115080765 843591669 /nfs/dbraw/zinc/59/16/69/843591669.db2.gz DNHHDCVHCQBRMH-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001183045240 843956840 /nfs/dbraw/zinc/95/68/40/843956840.db2.gz XDMVOELOZDGGCR-UHFFFAOYSA-N 2 0 263.385 0.945 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001188092738 844829973 /nfs/dbraw/zinc/82/99/73/844829973.db2.gz XSUZNJXYDZOSBK-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192957450 845935601 /nfs/dbraw/zinc/93/56/01/845935601.db2.gz BZOZRVSTEJJPQW-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155503 846224163 /nfs/dbraw/zinc/22/41/63/846224163.db2.gz UJQRNASTTKKFRB-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 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C=CCOCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330987 847888686 /nfs/dbraw/zinc/88/86/86/847888686.db2.gz MXUFJJMHHMHAFX-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153388166 847999241 /nfs/dbraw/zinc/99/92/41/847999241.db2.gz UFHYADYOXRGNFC-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COCc1cccs1 ZINC000717759656 848493215 /nfs/dbraw/zinc/49/32/15/848493215.db2.gz CIVZQUSWLLFBEV-ZDUSSCGKSA-N 2 0 282.409 0.780 20 30 CCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275415687 848715761 /nfs/dbraw/zinc/71/57/61/848715761.db2.gz QRZZDKLDUJMKJP-KGLIPLIRSA-N 2 0 295.427 0.603 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314995 850614144 /nfs/dbraw/zinc/61/41/44/850614144.db2.gz YBQJVTGUSNRZOA-CABCVRRESA-N 2 0 287.407 0.638 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001046849210 851631161 /nfs/dbraw/zinc/63/11/61/851631161.db2.gz CKLMPGOXOCYPHQ-QGZVFWFLSA-N 2 0 287.407 0.545 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCCN2C)C1 ZINC001047429302 851760841 /nfs/dbraw/zinc/76/08/41/851760841.db2.gz SJIMEXKKXUUHJH-KKUMJFAQSA-N 2 0 295.427 0.550 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047527278 851802199 /nfs/dbraw/zinc/80/21/99/851802199.db2.gz AUBQAFJIJXMQDD-IHRRRGAJSA-N 2 0 281.400 0.160 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896888 852102632 /nfs/dbraw/zinc/10/26/32/852102632.db2.gz IVWYXYQLWLYZQQ-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231870 852200085 /nfs/dbraw/zinc/20/00/85/852200085.db2.gz NJGLZGYJVXWLOZ-GEEKYZPCSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072848657 854480084 /nfs/dbraw/zinc/48/00/84/854480084.db2.gz FYCXCQUXSMZSII-CYBMUJFWSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073891315 854659441 /nfs/dbraw/zinc/65/94/41/854659441.db2.gz OHQZRXKUGXEMIK-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098403956 854863680 /nfs/dbraw/zinc/86/36/80/854863680.db2.gz AHWBOQHDTAZVJQ-OAHLLOKOSA-N 2 0 295.427 0.245 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898584 855023348 /nfs/dbraw/zinc/02/33/48/855023348.db2.gz DQYBJHDEEWQCRA-ZIAGYGMSSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898989 855025052 /nfs/dbraw/zinc/02/50/52/855025052.db2.gz LCWSDQNPYDCMDP-KBPBESRZSA-N 2 0 295.427 0.291 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722462 855527477 /nfs/dbraw/zinc/52/74/77/855527477.db2.gz NYQAZSWEKFSEAS-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908343 855604269 /nfs/dbraw/zinc/60/42/69/855604269.db2.gz UOTWTNZVUWYOBH-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC001118335943 856266121 /nfs/dbraw/zinc/26/61/21/856266121.db2.gz YDTYFTNHHBMKNA-ICBKXBRDSA-N 2 0 278.356 0.372 20 30 CCEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001481070018 892128062 /nfs/dbraw/zinc/12/80/62/892128062.db2.gz GMGSHFAOGSFXEQ-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314836 892567003 /nfs/dbraw/zinc/56/70/03/892567003.db2.gz MPAPSVWOUNEOHI-LLVKDONJSA-N 2 0 259.781 0.739 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482066778 893348698 /nfs/dbraw/zinc/34/86/98/893348698.db2.gz LZWFTWIRRYOXNC-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482066779 893350222 /nfs/dbraw/zinc/35/02/22/893350222.db2.gz LZWFTWIRRYOXNC-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001482445475 893994194 /nfs/dbraw/zinc/99/41/94/893994194.db2.gz BZQFXFSAZUIVQM-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001482553567 894232611 /nfs/dbraw/zinc/23/26/11/894232611.db2.gz NIECEVAVSIVFRO-KBPBESRZSA-N 2 0 265.401 0.692 20 30 CCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482586779 894296995 /nfs/dbraw/zinc/29/69/95/894296995.db2.gz QVPLDNPNHGIOCL-CQSZACIVSA-N 2 0 283.416 0.673 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001482773827 894592592 /nfs/dbraw/zinc/59/25/92/894592592.db2.gz FUBVGFYDMBHZPL-LSDHHAIUSA-N 2 0 297.443 0.892 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)C1CCC([NH3+])CC1 ZINC001326314285 913885153 /nfs/dbraw/zinc/88/51/53/913885153.db2.gz VBRRGXTYJWSSAT-HTAVTVPLSA-N 2 0 252.362 0.736 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482848426 894647906 /nfs/dbraw/zinc/64/79/06/894647906.db2.gz ZOJBESAADQCNPM-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482848428 894648151 /nfs/dbraw/zinc/64/81/51/894648151.db2.gz ZOJBESAADQCNPM-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001483585468 895665918 /nfs/dbraw/zinc/66/59/18/895665918.db2.gz KLEDMIYKIQKXIL-UONOGXRCSA-N 2 0 265.401 0.690 20 30 CCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001484963151 896680658 /nfs/dbraw/zinc/68/06/58/896680658.db2.gz MXZSOGHJCQOWHL-UHFFFAOYSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484992628 896709326 /nfs/dbraw/zinc/70/93/26/896709326.db2.gz JSSRNTJOEJWYGR-JSGCOSHPSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001485101804 896771603 /nfs/dbraw/zinc/77/16/03/896771603.db2.gz ZXAFXBTZWBTHHL-UHFFFAOYSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001485161213 896829713 /nfs/dbraw/zinc/82/97/13/896829713.db2.gz AYJSSJGECOTHOT-ZIAGYGMSSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127632 898686392 /nfs/dbraw/zinc/68/63/92/898686392.db2.gz JAEFIKAZYHNHCS-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001486356628 898814129 /nfs/dbraw/zinc/81/41/29/898814129.db2.gz PFOYQGDZUTVHEL-KBPBESRZSA-N 2 0 283.416 0.265 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC001327106513 914375267 /nfs/dbraw/zinc/37/52/67/914375267.db2.gz CXPAQIINUYZWHR-CQSZACIVSA-N 2 0 272.352 0.927 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390201 900011699 /nfs/dbraw/zinc/01/16/99/900011699.db2.gz PBTKPHQBTWBEGL-CABCVRRESA-N 2 0 293.411 0.263 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001490164474 900547250 /nfs/dbraw/zinc/54/72/50/900547250.db2.gz LUBVZPBYFQVBIR-ZDUSSCGKSA-N 2 0 251.374 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CCEDRP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001316992971 908907923 /nfs/dbraw/zinc/90/79/23/908907923.db2.gz WFURCIAOGQGYND-AWEZNQCLSA-N 2 0 293.411 0.475 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001317248023 909090596 /nfs/dbraw/zinc/09/05/96/909090596.db2.gz TYRFOXKNMCDXEJ-ZDUSSCGKSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001317292287 909118468 /nfs/dbraw/zinc/11/84/68/909118468.db2.gz AOKGZWHJEVZSMC-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317343487 909152550 /nfs/dbraw/zinc/15/25/50/909152550.db2.gz LLFOXTMACRGBGC-KBPBESRZSA-N 2 0 265.401 0.952 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351837 909154470 /nfs/dbraw/zinc/15/44/70/909154470.db2.gz BKEQGKTXSSVFOQ-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CCC[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317461840 909238612 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BULAGGDUMCUCMD-KRWDZBQOSA-N 2 0 289.423 0.982 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCO[C@@H](C)C1 ZINC001340838257 922233355 /nfs/dbraw/zinc/23/33/55/922233355.db2.gz HYBNHRPEKQTDAE-QWHCGFSZSA-N 2 0 269.389 0.507 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC001340931724 922283979 /nfs/dbraw/zinc/28/39/79/922283979.db2.gz UAEPSJOXWYZXFR-UHFFFAOYSA-N 2 0 291.370 0.939 20 30 CCEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@@H]1[NH3+] ZINC001341081540 922339033 /nfs/dbraw/zinc/33/90/33/922339033.db2.gz ZJVFULWISMZWCQ-MNOVXSKESA-N 2 0 252.362 0.593 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001341666521 922618443 /nfs/dbraw/zinc/61/84/43/922618443.db2.gz UNCDNTVFMVAMMR-SDDRHHMPSA-N 2 0 257.353 0.828 20 30 CCEDRP C#CCNCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC001341685343 922625872 /nfs/dbraw/zinc/62/58/72/922625872.db2.gz UBGOZAFSKUNIOS-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001343507987 923354472 /nfs/dbraw/zinc/35/44/72/923354472.db2.gz IYNLFNRDOHZZPC-ZIAGYGMSSA-N 2 0 280.416 0.176 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCC[NH2+]C1 ZINC001343850762 923485513 /nfs/dbraw/zinc/48/55/13/923485513.db2.gz FPYZZWHEISBOOE-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CC[NH+](C)CC1 ZINC001349825801 925071136 /nfs/dbraw/zinc/07/11/36/925071136.db2.gz YWJVKAZYJODOMC-KGLIPLIRSA-N 2 0 295.431 0.150 20 30 CCEDRP [NH3+]CCN(CC(F)(F)F)C(=O)C#CC1CC[NH2+]CC1 ZINC001349837552 925075302 /nfs/dbraw/zinc/07/53/02/925075302.db2.gz ADVZIAZMENTWAV-UHFFFAOYSA-N 2 0 277.290 0.339 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C[NH+](C)C)OCC)CCC[NH2+]1 ZINC001354944290 926187148 /nfs/dbraw/zinc/18/71/48/926187148.db2.gz SYADUIPYGGQLHB-ZFWWWQNUSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001480550483 926947092 /nfs/dbraw/zinc/94/70/92/926947092.db2.gz ZMUMJYHEAXMGDG-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)CN1CC[NH+](C)CC1 ZINC000600724315 362045849 /nfs/dbraw/zinc/04/58/49/362045849.db2.gz GRHPYAGVAPULAQ-GJZGRUSLSA-N 2 0 294.443 0.514 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1C[NH+]2CCC1CC2 ZINC000602590223 362696911 /nfs/dbraw/zinc/69/69/11/362696911.db2.gz CNXBLFYCLVTWJY-OLZOCXBDSA-N 2 0 264.373 0.560 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000068195914 348802381 /nfs/dbraw/zinc/80/23/81/348802381.db2.gz HOZCHOWBUAHTPE-CYBMUJFWSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579811 352561800 /nfs/dbraw/zinc/56/18/00/352561800.db2.gz FAQUETUDEQRFAH-MJBXVCDLSA-N 2 0 263.385 0.856 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261912163 352565560 /nfs/dbraw/zinc/56/55/60/352565560.db2.gz XQZSMXXFFJWZEI-AWEZNQCLSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000358218993 356775385 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C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438331 360307523 /nfs/dbraw/zinc/30/75/23/360307523.db2.gz OCJPHOQMJMLMLV-QWHCGFSZSA-N 2 0 266.389 0.950 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(CC[NH3+])CC1 ZINC000594452160 360316004 /nfs/dbraw/zinc/31/60/04/360316004.db2.gz DMUWWKAVVYLMQK-CYBMUJFWSA-N 2 0 266.389 0.985 20 30 CCEDRP C[N@H+](CCc1ccc(C#N)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000595894706 360695273 /nfs/dbraw/zinc/69/52/73/360695273.db2.gz VZIKPLPKUATVAX-UHFFFAOYSA-N 2 0 286.379 0.464 20 30 CCEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598722686 361496628 /nfs/dbraw/zinc/49/66/28/361496628.db2.gz COCUUTQBPGEFOJ-HNNXBMFYSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638643245 375248038 /nfs/dbraw/zinc/24/80/38/375248038.db2.gz ZMCMUZCGPVRCSE-YRGRVCCFSA-N 2 0 251.374 0.941 20 30 CCEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000329476988 389165922 /nfs/dbraw/zinc/16/59/22/389165922.db2.gz PQXHEXKRVNOFRJ-AWEZNQCLSA-N 2 0 297.447 0.222 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(C)c1C ZINC000134214841 389243535 /nfs/dbraw/zinc/24/35/35/389243535.db2.gz XQGYSSODIFQTGS-ZDUSSCGKSA-N 2 0 278.404 0.617 20 30 CCEDRP CN(C)C(=[NH2+])NCCN1CCc2sccc2C1 ZINC000170910090 389467439 /nfs/dbraw/zinc/46/74/39/389467439.db2.gz RBECVEICISJKSD-UHFFFAOYSA-N 2 0 252.387 0.983 20 30 CCEDRP OC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000351606153 389631354 /nfs/dbraw/zinc/63/13/54/389631354.db2.gz AYJXTFFGZXWIEV-HZPDHXFCSA-N 2 0 280.412 0.398 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417519818 389825969 /nfs/dbraw/zinc/82/59/69/389825969.db2.gz BDRUCXMPXUQKIQ-GXTWGEPZSA-N 2 0 280.416 0.934 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000417544545 389828568 /nfs/dbraw/zinc/82/85/68/389828568.db2.gz VYJZLFNUYKDZPA-ZDUSSCGKSA-N 2 0 266.389 0.688 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000420299372 389980089 /nfs/dbraw/zinc/98/00/89/389980089.db2.gz AYSBTORRIJYKEF-DGAVXFQQSA-N 2 0 263.385 0.833 20 30 CCEDRP C=CCN1CC[C@@H]([N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)C1=O ZINC000420345907 389987340 /nfs/dbraw/zinc/98/73/40/389987340.db2.gz VXXWYZKUFNJTNG-HZSPNIEDSA-N 2 0 263.385 0.705 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000491681484 390116027 /nfs/dbraw/zinc/11/60/27/390116027.db2.gz NOZVQPKZURYPAT-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000491713617 390116222 /nfs/dbraw/zinc/11/62/22/390116222.db2.gz KGFKXQXMTGDFMH-AWEZNQCLSA-N 2 0 282.432 0.956 20 30 CCEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644638526 390272688 /nfs/dbraw/zinc/27/26/88/390272688.db2.gz KODMOYMWYNDQGI-PMPSAXMXSA-N 2 0 297.443 0.166 20 30 CCEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000578315918 390876004 /nfs/dbraw/zinc/87/60/04/390876004.db2.gz FYBAEXANAUQJPQ-MRXNPFEDSA-N 2 0 296.459 0.904 20 30 CCEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000578315917 390876171 /nfs/dbraw/zinc/87/61/71/390876171.db2.gz FYBAEXANAUQJPQ-INIZCTEOSA-N 2 0 296.459 0.904 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346912 412034746 /nfs/dbraw/zinc/03/47/46/412034746.db2.gz LGPPFDPTKBADHJ-ZQDZILKHSA-N 2 0 295.427 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662757130 414766992 /nfs/dbraw/zinc/76/69/92/414766992.db2.gz LEOYVQIPBRIUIO-ZBFHGGJFSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCC[N@@H+](C)CC2)CCC[NH2+]1 ZINC000662765735 414775225 /nfs/dbraw/zinc/77/52/25/414775225.db2.gz IEBKINCHTDZXTE-AWEZNQCLSA-N 2 0 251.374 0.849 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000662770079 414777604 /nfs/dbraw/zinc/77/76/04/414777604.db2.gz NYLWCFAWZBTQSR-OCCSQVGLSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CCC[NH2+]1 ZINC000662770978 414778462 /nfs/dbraw/zinc/77/84/62/414778462.db2.gz DVDDFWSQQKGFDP-SGMGOOAPSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC[NH2+]1 ZINC000662780746 414786687 /nfs/dbraw/zinc/78/66/87/414786687.db2.gz UCUQVSRFBHREIQ-DOMZBBRYSA-N 2 0 263.385 0.943 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000491784137 262045794 /nfs/dbraw/zinc/04/57/94/262045794.db2.gz QHAXSLTVNFKKNA-OLZOCXBDSA-N 2 0 266.389 0.320 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491809813 262081322 /nfs/dbraw/zinc/08/13/22/262081322.db2.gz ZAQOYCRVWJXYOC-CYBMUJFWSA-N 2 0 266.389 0.383 20 30 CCEDRP C[C@H]1C[NH+](C)CCN1CC#CCN1CC[N@@H+](C)C[C@@H]1C ZINC000341883873 263363325 /nfs/dbraw/zinc/36/33/25/263363325.db2.gz PDEGPZJQKGBDHD-HOTGVXAUSA-N 2 0 278.444 0.262 20 30 CCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262303038 330005136 /nfs/dbraw/zinc/00/51/36/330005136.db2.gz QSOXTBAAVYDUIM-ZDUSSCGKSA-N 2 0 284.310 0.758 20 30 CCEDRP C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262829073 330034395 /nfs/dbraw/zinc/03/43/95/330034395.db2.gz UUSLRKSIEOBJBC-GFCCVEGCSA-N 2 0 293.415 0.011 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(C)o1 ZINC000263025671 330039249 /nfs/dbraw/zinc/03/92/49/330039249.db2.gz ANUIKHORFWOMEE-LLVKDONJSA-N 2 0 265.361 0.872 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000424074195 330220505 /nfs/dbraw/zinc/22/05/05/330220505.db2.gz GRRWBNLFNYBDDB-WOPDTQHZSA-N 2 0 252.362 0.641 20 30 CCEDRP C[NH+](C)[C@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCSC1 ZINC000424127974 330259510 /nfs/dbraw/zinc/25/95/10/330259510.db2.gz DXYZCNDUKWJZOS-YPMHNXCESA-N 2 0 284.429 0.561 20 30 CCEDRP CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC000424129337 330260121 /nfs/dbraw/zinc/26/01/21/330260121.db2.gz CZYZIXXEPHCVKS-CYBMUJFWSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000424130519 330261560 /nfs/dbraw/zinc/26/15/60/330261560.db2.gz FMCVJMBNKZHPPF-GFCCVEGCSA-N 2 0 252.362 0.610 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000424162098 330307313 /nfs/dbraw/zinc/30/73/13/330307313.db2.gz ZFUBGPRBZIJFJF-VXGBXAGGSA-N 2 0 250.346 0.360 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000424184410 330320236 /nfs/dbraw/zinc/32/02/36/330320236.db2.gz FEZLCLKQGNVJEQ-CQSZACIVSA-N 2 0 278.400 0.998 20 30 CCEDRP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C[NH3+] ZINC000424196509 330325237 /nfs/dbraw/zinc/32/52/37/330325237.db2.gz GLBMSZFUDHAUCU-MROQNXINSA-N 2 0 266.389 0.839 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000424199186 330326215 /nfs/dbraw/zinc/32/62/15/330326215.db2.gz QAYWEQDDMSSGHK-MELADBBJSA-N 2 0 278.400 0.998 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000491164713 332159178 /nfs/dbraw/zinc/15/91/78/332159178.db2.gz DVULORNRSYFMDK-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000491380886 332200961 /nfs/dbraw/zinc/20/09/61/332200961.db2.gz BJQJJDYIMQXYIB-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000491473487 332217708 /nfs/dbraw/zinc/21/77/08/332217708.db2.gz DUTNKRHDWIRDLP-OAHLLOKOSA-N 2 0 296.415 0.009 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491568083 332239618 /nfs/dbraw/zinc/23/96/18/332239618.db2.gz OTJJDGYQDMZQJP-LLVKDONJSA-N 2 0 288.342 0.238 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491644782 332262960 /nfs/dbraw/zinc/26/29/60/332262960.db2.gz LOELNFZDJVWLHY-KGLIPLIRSA-N 2 0 280.416 0.723 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000491729919 332312019 /nfs/dbraw/zinc/31/20/19/332312019.db2.gz IWJDANQMXYEZDV-OLZOCXBDSA-N 2 0 266.389 0.381 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCC1 ZINC000576753162 335243471 /nfs/dbraw/zinc/24/34/71/335243471.db2.gz PLDCXYWEUWVDPO-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576979056 335272684 /nfs/dbraw/zinc/27/26/84/335272684.db2.gz BATNHGDZNKTSCH-INIZCTEOSA-N 2 0 294.443 0.657 20 30 CCEDRP C=CC(C)(C)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000578619363 335654437 /nfs/dbraw/zinc/65/44/37/335654437.db2.gz LIQCHVNSQSYYSP-CYBMUJFWSA-N 2 0 255.406 0.397 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000581127438 336012010 /nfs/dbraw/zinc/01/20/10/336012010.db2.gz TZIGLSQWFGFKDP-QRJUGERDSA-N 2 0 298.427 0.637 20 30 CCEDRP C[NH+](C)CC1(CNC(=[NH2+])N2CCOCC2)CCCC1 ZINC000305834696 649881464 /nfs/dbraw/zinc/88/14/64/649881464.db2.gz WEYYODICSNGYPJ-UHFFFAOYSA-N 2 0 268.405 0.755 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000764387506 582044462 /nfs/dbraw/zinc/04/44/62/582044462.db2.gz GYQAYDVBKOVLMG-UHFFFAOYSA-N 2 0 251.374 0.658 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000908436630 613077742 /nfs/dbraw/zinc/07/77/42/613077742.db2.gz TWNJTMFXSAFHBD-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972236078 613080085 /nfs/dbraw/zinc/08/00/85/613080085.db2.gz VOFZBESWGDVKDJ-CQSZACIVSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000971675837 613091449 /nfs/dbraw/zinc/09/14/49/613091449.db2.gz BQKPHHGALDGOKR-UONOGXRCSA-N 2 0 263.385 0.493 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000972266173 613091533 /nfs/dbraw/zinc/09/15/33/613091533.db2.gz QAABKRWEEXLXAU-UONOGXRCSA-N 2 0 265.401 0.739 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NOC1CC[NH+](C)CC1 ZINC000908030533 613365137 /nfs/dbraw/zinc/36/51/37/613365137.db2.gz WAKFFGPRLQCYNF-UHFFFAOYSA-N 2 0 255.362 0.636 20 30 CCEDRP CC(C)[C@@](C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884036552 614181375 /nfs/dbraw/zinc/18/13/75/614181375.db2.gz YGPLXDPEAYKXBR-VYKPZMDHSA-N 2 0 278.400 0.615 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891921056 613074168 /nfs/dbraw/zinc/07/41/68/613074168.db2.gz IRDWJTQRXZTJPG-RYUDHWBXSA-N 2 0 252.362 0.073 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000868653633 613074267 /nfs/dbraw/zinc/07/42/67/613074267.db2.gz ZCQFXNHBHXRUAR-GJZGRUSLSA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847377081 613075628 /nfs/dbraw/zinc/07/56/28/613075628.db2.gz OOYFBPTVWOHQLK-OKILXGFUSA-N 2 0 280.416 0.581 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000830168038 613132816 /nfs/dbraw/zinc/13/28/16/613132816.db2.gz CTYHCCPBWNXHGB-UHFFFAOYSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)N[C@H](C)Cn2ccnc2)C1 ZINC000884083540 613187509 /nfs/dbraw/zinc/18/75/09/613187509.db2.gz RDFPSNRXPOXTAP-KGLIPLIRSA-N 2 0 289.383 0.668 20 30 CCEDRP C[NH+]=C(NCCCN(C)CC[NH+](C)C)NCc1ccco1 ZINC000849028144 613219250 /nfs/dbraw/zinc/21/92/50/613219250.db2.gz GKAXHPWZLNJCEU-UHFFFAOYSA-N 2 0 295.431 0.828 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948052253 613225926 /nfs/dbraw/zinc/22/59/26/613225926.db2.gz CLNDLNQRRCJENU-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944151530 613257391 /nfs/dbraw/zinc/25/73/91/613257391.db2.gz ABPHDYFEEUTISA-KGLIPLIRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000959965790 613316870 /nfs/dbraw/zinc/31/68/70/613316870.db2.gz LBJRPBHNEMMFIN-VQJWOFKYSA-N 2 0 275.396 0.396 20 30 CCEDRP C#CCNC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178496 613328830 /nfs/dbraw/zinc/32/88/30/613328830.db2.gz WWWKDJGUQUANKX-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959926423 613345160 /nfs/dbraw/zinc/34/51/60/613345160.db2.gz VUFQWJPAMCQESX-WCVJEAGWSA-N 2 0 289.423 0.951 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967709083 613348865 /nfs/dbraw/zinc/34/88/65/613348865.db2.gz VNGORXYUEVZCOC-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C)[C@H](CO)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930136987 613362648 /nfs/dbraw/zinc/36/26/48/613362648.db2.gz QIWIHXCFVRQBGC-JYJNAYRXSA-N 2 0 281.444 0.881 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000900898805 613364661 /nfs/dbraw/zinc/36/46/61/613364661.db2.gz CTKSEHKIVSWPJB-UHFFFAOYSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000908118979 613365351 /nfs/dbraw/zinc/36/53/51/613365351.db2.gz OOFPWKFJGWCEAH-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922882821 613365872 /nfs/dbraw/zinc/36/58/72/613365872.db2.gz POWALOLBMQJDKD-UHFFFAOYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000876502487 613389229 /nfs/dbraw/zinc/38/92/29/613389229.db2.gz AXOVYIHKENUUEL-QWRGUYRKSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000876919189 613389548 /nfs/dbraw/zinc/38/95/48/613389548.db2.gz SMOBMBJNFIPRRW-IEBDPFPHSA-N 2 0 259.781 0.900 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000877253647 613390360 /nfs/dbraw/zinc/39/03/60/613390360.db2.gz CRYQGORCVOUPDR-KOLCDFICSA-N 2 0 259.781 0.961 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN2CCOC[C@H]2CC)CCC[NH2+]1 ZINC000877432373 613422998 /nfs/dbraw/zinc/42/29/98/613422998.db2.gz CLXYEYLNJMKALI-GDBMZVCRSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774355 613472791 /nfs/dbraw/zinc/47/27/91/613472791.db2.gz HCVQGOXIJJTVRW-ZDUSSCGKSA-N 2 0 268.405 0.034 20 30 CCEDRP CC#CCN1CCCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000981960713 613551522 /nfs/dbraw/zinc/55/15/22/613551522.db2.gz XGUUTMZRGDPXLZ-LSDHHAIUSA-N 2 0 277.412 0.742 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000923354397 613591045 /nfs/dbraw/zinc/59/10/45/613591045.db2.gz TWWYFMHKPBDZTO-KBPBESRZSA-N 2 0 253.390 0.293 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978344686 613629620 /nfs/dbraw/zinc/62/96/20/613629620.db2.gz FOJRSRYMWGHMQF-LVQVYYBASA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906591733 613674544 /nfs/dbraw/zinc/67/45/44/613674544.db2.gz FXNNJSSVXQFSQB-UHFFFAOYSA-N 2 0 294.443 0.246 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)CC1 ZINC000876756752 613675925 /nfs/dbraw/zinc/67/59/25/613675925.db2.gz XUSFLQWVEXIUHI-GHMZBOCLSA-N 2 0 273.327 0.593 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000968924761 613863552 /nfs/dbraw/zinc/86/35/52/613863552.db2.gz WKGNPJIBBIRGAL-GFCCVEGCSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939543416 613874297 /nfs/dbraw/zinc/87/42/97/613874297.db2.gz CRIVORYDKCLYEG-OLZOCXBDSA-N 2 0 263.385 0.705 20 30 CCEDRP CCNC(NC[C@H]1CC[N@@H+]1C1CCOCC1)=[NH+]CC ZINC000899262605 614420951 /nfs/dbraw/zinc/42/09/51/614420951.db2.gz OAIODQVSLYYHIR-CYBMUJFWSA-N 2 0 268.405 0.815 20 30 CCEDRP CCCC[C@@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884042713 614473244 /nfs/dbraw/zinc/47/32/44/614473244.db2.gz GSQBYTABNLFLRC-FMPXUHTOSA-N 2 0 278.400 0.759 20 30 CCEDRP CCCN(CC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884378430 614578930 /nfs/dbraw/zinc/57/89/30/614578930.db2.gz SDBOYQSTRWWWTG-BBBYJDLNSA-N 2 0 292.427 0.926 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884365458 614849856 /nfs/dbraw/zinc/84/98/56/614849856.db2.gz JLPZGRITHRNLBO-KYRAHZRRSA-N 2 0 276.384 0.368 20 30 CCEDRP CC[NH+](CC)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884176656 614992040 /nfs/dbraw/zinc/99/20/40/614992040.db2.gz LQMIGZQTOVJAPX-BBBYJDLNSA-N 2 0 292.427 0.974 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1CCC([NH3+])CC1 ZINC000852798027 615760205 /nfs/dbraw/zinc/76/02/05/615760205.db2.gz DSPVLBRQIURGQF-UHFFFAOYSA-N 2 0 263.385 0.718 20 30 CCEDRP C[NH+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876707981 615881462 /nfs/dbraw/zinc/88/14/62/615881462.db2.gz VDHYMPHUTVFEPW-OAHLLOKOSA-N 2 0 286.379 0.813 20 30 CCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198336 616213846 /nfs/dbraw/zinc/21/38/46/616213846.db2.gz SJYCVUVELSDZQP-ICRTXTNUSA-N 2 0 276.384 0.336 20 30 CCEDRP COCC[N@@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852883666 616337637 /nfs/dbraw/zinc/33/76/37/616337637.db2.gz NDJWFHKXEDCSHD-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001026283752 625388136 /nfs/dbraw/zinc/38/81/36/625388136.db2.gz MEZADKGSHYNSEU-RRFJBIMHSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001026283753 625388553 /nfs/dbraw/zinc/38/85/53/625388553.db2.gz MEZADKGSHYNSEU-SOUVJXGZSA-N 2 0 289.423 0.931 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022716819 622693890 /nfs/dbraw/zinc/69/38/90/622693890.db2.gz JCGNXJUOXORPKJ-YIYPIFLZSA-N 2 0 265.401 0.997 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cncn1C ZINC000290736189 623185238 /nfs/dbraw/zinc/18/52/38/623185238.db2.gz WPGIIPYAUZXLPE-NSHDSACASA-N 2 0 264.377 0.309 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781596 623882291 /nfs/dbraw/zinc/88/22/91/623882291.db2.gz KWNWATZKSAMYNO-LEOABGAYSA-N 2 0 287.407 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020720929 624586488 /nfs/dbraw/zinc/58/64/88/624586488.db2.gz GZTSTCXVFXRTMH-AJNGGQMLSA-N 2 0 275.396 0.873 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160614101 624812824 /nfs/dbraw/zinc/81/28/24/624812824.db2.gz MITYCPPMWKSDFV-ZDUSSCGKSA-N 2 0 298.431 0.571 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001022076915 624871057 /nfs/dbraw/zinc/87/10/57/624871057.db2.gz FDTBHMGSMHAJCE-XQLPTFJDSA-N 2 0 275.396 0.731 20 30 CCEDRP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000104175818 630776230 /nfs/dbraw/zinc/77/62/30/630776230.db2.gz UWSRZTUXPNCZET-LLVKDONJSA-N 2 0 256.419 0.690 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303989613 632502157 /nfs/dbraw/zinc/50/21/57/632502157.db2.gz XRQILHFYPWGSBV-LBPRGKRZSA-N 2 0 255.410 0.327 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304741655 632515669 /nfs/dbraw/zinc/51/56/69/632515669.db2.gz UHMIDCUJJSIEEG-UHFFFAOYSA-N 2 0 269.437 0.669 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986825370 632802444 /nfs/dbraw/zinc/80/24/44/632802444.db2.gz MHKUTQGIKDKDQE-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC000987517669 632874772 /nfs/dbraw/zinc/87/47/72/632874772.db2.gz IZCMVEVAAUISFK-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001009512133 650146157 /nfs/dbraw/zinc/14/61/57/650146157.db2.gz ASCIZBSIHIULQT-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCOCC1 ZINC000170904776 637103780 /nfs/dbraw/zinc/10/37/80/637103780.db2.gz AIOHJKPATWGACE-ZDUSSCGKSA-N 2 0 268.405 0.802 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996250519 638813179 /nfs/dbraw/zinc/81/31/79/638813179.db2.gz ULHIWQOXELDCQM-AWEZNQCLSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996620449 638824791 /nfs/dbraw/zinc/82/47/91/638824791.db2.gz NROBYNGTOIUICZ-LSDHHAIUSA-N 2 0 293.411 0.616 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996620447 638824847 /nfs/dbraw/zinc/82/48/47/638824847.db2.gz NROBYNGTOIUICZ-HUUCEWRRSA-N 2 0 293.411 0.616 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CN(CC)CCO2)CC1(C)C ZINC000996640752 638826109 /nfs/dbraw/zinc/82/61/09/638826109.db2.gz BRODTBHTFBNJPY-KGLIPLIRSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996686559 638829160 /nfs/dbraw/zinc/82/91/60/638829160.db2.gz CXBIJRIQURGSRD-AWEZNQCLSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999294003 638972397 /nfs/dbraw/zinc/97/23/97/638972397.db2.gz OUCNJYLACZPJOX-HESLUPGFSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000688568 639152791 /nfs/dbraw/zinc/15/27/91/639152791.db2.gz KRWRPNXWJQJRAP-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001833248 639344096 /nfs/dbraw/zinc/34/40/96/639344096.db2.gz JYABQUOIFMCBMF-HIFRSBDPSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(CCF)CC1 ZINC001005518951 639915423 /nfs/dbraw/zinc/91/54/23/639915423.db2.gz PMFPCIAMFSBXRS-HNNXBMFYSA-N 2 0 295.402 0.976 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001015708697 650612999 /nfs/dbraw/zinc/61/29/99/650612999.db2.gz JTJDZUSTOGCNJF-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000834484853 642576551 /nfs/dbraw/zinc/57/65/51/642576551.db2.gz OILZSYTXTJNIQQ-AAEUAGOBSA-N 2 0 287.367 0.254 20 30 CCEDRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834494144 642582865 /nfs/dbraw/zinc/58/28/65/642582865.db2.gz KRRDXSDDIYPZJA-XDTLVQLUSA-N 2 0 258.325 0.548 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848428070 643635880 /nfs/dbraw/zinc/63/58/80/643635880.db2.gz UVZANTLLLVAXHD-UTUOFQBUSA-N 2 0 250.346 0.218 20 30 CCEDRP C[NH+](C)CCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858702 644027205 /nfs/dbraw/zinc/02/72/05/644027205.db2.gz GJBIWHYGHKJCBL-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C[C@@H]1C[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852870434 644034199 /nfs/dbraw/zinc/03/41/99/644034199.db2.gz OGLGDLJMKZZDLJ-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C[C@]1(CNC(=O)C#CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000852875642 644037951 /nfs/dbraw/zinc/03/79/51/644037951.db2.gz LYGDAIXVLKGMJK-HNNXBMFYSA-N 2 0 263.385 0.495 20 30 CCEDRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867972791 645695015 /nfs/dbraw/zinc/69/50/15/645695015.db2.gz KCVFYYHNZUDQFW-NVXWUHKLSA-N 2 0 298.390 0.942 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H]1C[NH3+] ZINC000884035206 647620558 /nfs/dbraw/zinc/62/05/58/647620558.db2.gz USYLWGHRGLNSEI-AYVTUFRQSA-N 2 0 290.411 0.712 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893173 648468744 /nfs/dbraw/zinc/46/87/44/648468744.db2.gz MKOSBLITSUGUGR-FPMFFAJLSA-N 2 0 289.383 0.707 20 30 CCEDRP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487068 648995718 /nfs/dbraw/zinc/99/57/18/648995718.db2.gz PXBSIPXLADBMQR-CYBMUJFWSA-N 2 0 296.415 0.135 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000303709098 649824126 /nfs/dbraw/zinc/82/41/26/649824126.db2.gz NQTIEIQXCKCHPN-NSHDSACASA-N 2 0 256.419 0.834 20 30 CCEDRP CCn1cnnc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303900008 649826962 /nfs/dbraw/zinc/82/69/62/649826962.db2.gz RYFGIFDNFGUFRE-NSHDSACASA-N 2 0 279.392 0.187 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(NC1CC1)=[NH+]C ZINC000304830997 649839427 /nfs/dbraw/zinc/83/94/27/649839427.db2.gz KIBFSXKJRAIZMX-GFCCVEGCSA-N 2 0 256.394 0.671 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266284545 790403185 /nfs/dbraw/zinc/40/31/85/790403185.db2.gz FYHVNKFMOIJHMD-ZDUSSCGKSA-N 2 0 253.390 0.644 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415177 790660745 /nfs/dbraw/zinc/66/07/45/790660745.db2.gz RNIBWWRVVOMRBE-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266562386 790933110 /nfs/dbraw/zinc/93/31/10/790933110.db2.gz ZIGMOLLDVHNVHY-GJZGRUSLSA-N 2 0 295.427 0.413 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266637991 791068816 /nfs/dbraw/zinc/06/88/16/791068816.db2.gz CNXXGTJJFNRFJM-KKUMJFAQSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC=C)CC1 ZINC001267117446 791558008 /nfs/dbraw/zinc/55/80/08/791558008.db2.gz SPDRXKZYLUBFRU-UHFFFAOYSA-N 2 0 263.385 0.566 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001279235273 791705585 /nfs/dbraw/zinc/70/55/85/791705585.db2.gz ATDLNRICTZIERS-XSCHDIRWSA-N 2 0 277.412 0.929 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277822922 806162359 /nfs/dbraw/zinc/16/23/59/806162359.db2.gz HONDSOZQLFNXPO-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267241734 793228831 /nfs/dbraw/zinc/22/88/31/793228831.db2.gz JELBCQWACVXDMU-AWEZNQCLSA-N 2 0 265.401 0.952 20 30 CCEDRP C[NH+](C)CCN1CC2(C1)C[NH+](CCCCC#N)C2 ZINC001277951993 806452059 /nfs/dbraw/zinc/45/20/59/806452059.db2.gz QZXMPIJMLJUPBB-UHFFFAOYSA-N 2 0 250.390 0.859 20 30 CCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001278106435 806676530 /nfs/dbraw/zinc/67/65/30/806676530.db2.gz ZEFOPEIBTFVLHV-CABCVRRESA-N 2 0 295.427 0.197 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001278139986 806713995 /nfs/dbraw/zinc/71/39/95/806713995.db2.gz XGSJVYTWYKWGMX-MELADBBJSA-N 2 0 283.416 0.360 20 30 CCEDRP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122177933 799162198 /nfs/dbraw/zinc/16/21/98/799162198.db2.gz OBMPPUPTPVUUKQ-DPGVGJJJSA-N 2 0 289.423 0.978 20 30 CCEDRP C[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C(C)C ZINC001122254645 799180229 /nfs/dbraw/zinc/18/02/29/799180229.db2.gz PVVCTSCSCNUVEI-LBPRGKRZSA-N 2 0 254.378 0.854 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001278201706 806770381 /nfs/dbraw/zinc/77/03/81/806770381.db2.gz JICWPPCWCASNFE-ZIAGYGMSSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001150318848 800329421 /nfs/dbraw/zinc/32/94/21/800329421.db2.gz VDBIKUARNVVDDZ-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150587132 800349807 /nfs/dbraw/zinc/34/98/07/800349807.db2.gz FCWOOSZAEQSBBP-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[C@H]([NH3+])C1)C[NH2+]CCC2 ZINC001156224381 801133447 /nfs/dbraw/zinc/13/34/47/801133447.db2.gz ONHMZDJUNIJJJF-NSHDSACASA-N 2 0 257.341 0.526 20 30 CCEDRP C=CCCCNC(=S)NCCC[NH2+]CCC[NH3+] ZINC001239396837 806896405 /nfs/dbraw/zinc/89/64/05/806896405.db2.gz PVAPHMSRAUWRGC-UHFFFAOYSA-N 2 0 258.435 0.745 20 30 CCEDRP COc1nc(NC(=[NH2+])NCCCC[NH3+])c(F)cc1C#N ZINC001157099041 801300088 /nfs/dbraw/zinc/30/00/88/801300088.db2.gz HJFOWDKQRHYFRO-UHFFFAOYSA-N 2 0 280.307 0.776 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001157937427 801532409 /nfs/dbraw/zinc/53/24/09/801532409.db2.gz VECQHZBDDWVUNC-CQSZACIVSA-N 2 0 272.352 0.509 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029746 801556384 /nfs/dbraw/zinc/55/63/84/801556384.db2.gz KXBCWIONYNLHCO-KBPBESRZSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288609 801614249 /nfs/dbraw/zinc/61/42/49/801614249.db2.gz YKBNDSAIVMDALF-UHFFFAOYSA-N 2 0 291.399 0.178 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505659 801660496 /nfs/dbraw/zinc/66/04/96/801660496.db2.gz FFLOPXXWNAMOJC-ZIAGYGMSSA-N 2 0 281.400 0.522 20 30 CCEDRP COC(=O)c1cc(C#N)cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159788091 801871558 /nfs/dbraw/zinc/87/15/58/801871558.db2.gz GXGYLJRSGNFMIC-SNVBAGLBSA-N 2 0 263.301 0.175 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159902307 801886605 /nfs/dbraw/zinc/88/66/05/801886605.db2.gz XSTMHGARRZUYHB-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[C@]1(C(=O)N(CC)[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC001161341610 802134166 /nfs/dbraw/zinc/13/41/66/802134166.db2.gz XARGZYXPPSUMQC-UKRRQHHQSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161492829 802163386 /nfs/dbraw/zinc/16/33/86/802163386.db2.gz XNDYLLOTIDEAKY-RWMBFGLXSA-N 2 0 269.389 0.635 20 30 CCEDRP Cc1nc(NCCC[NH2+]CCCC[NH3+])cnc1C#N ZINC001162293248 802301696 /nfs/dbraw/zinc/30/16/96/802301696.db2.gz VHPHDPFLGWCTIZ-UHFFFAOYSA-N 2 0 262.361 0.787 20 30 CCEDRP N#CCc1cc(N[C@H]2COCCC23C[NH2+]C3)cc[nH+]1 ZINC001163079162 802476159 /nfs/dbraw/zinc/47/61/59/802476159.db2.gz KOGWDFBHIQNHKD-ZDUSSCGKSA-N 2 0 258.325 0.360 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164539276 802759503 /nfs/dbraw/zinc/75/95/03/802759503.db2.gz VQNPGUXYRXQLSW-CYBMUJFWSA-N 2 0 269.389 0.378 20 30 CCEDRP N#Cc1c2c(cnc1N1C[C@@H]3[C@H]([NH3+])[C@@H]3C1)C[NH2+]CCC2 ZINC001165381466 802830411 /nfs/dbraw/zinc/83/04/11/802830411.db2.gz USCFHPBMNCHHFF-BTTYYORXSA-N 2 0 269.352 0.382 20 30 CCEDRP C=C[C@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220571667 811737811 /nfs/dbraw/zinc/73/78/11/811737811.db2.gz WYFZUXLBEQUEBY-MJVIPROJSA-N 2 0 283.372 0.067 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001268257999 812425806 /nfs/dbraw/zinc/42/58/06/812425806.db2.gz ZKHLFIRPJCYHCJ-CYBMUJFWSA-N 2 0 251.374 0.352 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616091 803036970 /nfs/dbraw/zinc/03/69/70/803036970.db2.gz VFFCUYRLFKLBLM-ZIAGYGMSSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206872374 803295524 /nfs/dbraw/zinc/29/55/24/803295524.db2.gz ASGCOLBFHLMJBM-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208335596 803507616 /nfs/dbraw/zinc/50/76/16/803507616.db2.gz WJDMKGIKTFPEKH-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447669 803513865 /nfs/dbraw/zinc/51/38/65/803513865.db2.gz KRAUNACKRJTCAL-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCCC[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001209266521 803585360 /nfs/dbraw/zinc/58/53/60/803585360.db2.gz UYUACFVQWMWOJM-UHFFFAOYSA-N 2 0 251.374 0.496 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216465066 803839645 /nfs/dbraw/zinc/83/96/45/803839645.db2.gz YZMSZRNODRLYME-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001216514284 803840977 /nfs/dbraw/zinc/84/09/77/803840977.db2.gz CPBMRKUNIIJNQP-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754148 803855454 /nfs/dbraw/zinc/85/54/54/803855454.db2.gz JFKSSTXQRNYQKT-RBSFLKMASA-N 2 0 293.411 0.024 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)o1 ZINC001218650300 804061005 /nfs/dbraw/zinc/06/10/05/804061005.db2.gz XTXJFQQPEKZYLK-SNVBAGLBSA-N 2 0 263.301 0.120 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001218649771 804061295 /nfs/dbraw/zinc/06/12/95/804061295.db2.gz IGQURYAQZYVDQX-VIFPVBQESA-N 2 0 265.317 0.640 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219904906 804444885 /nfs/dbraw/zinc/44/48/85/804444885.db2.gz NYIKZKZWAFDNRW-OLZOCXBDSA-N 2 0 283.416 0.454 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219931009 804449994 /nfs/dbraw/zinc/44/99/94/804449994.db2.gz JWIYCOPKCGJVAQ-INIZCTEOSA-N 2 0 286.379 0.515 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1F ZINC001220449204 804607891 /nfs/dbraw/zinc/60/78/91/804607891.db2.gz OTAMCXJFVJMDHB-AWEZNQCLSA-N 2 0 290.342 0.640 20 30 CCEDRP O=C(NCCCS)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220585341 804632018 /nfs/dbraw/zinc/63/20/18/804632018.db2.gz HSVSZBYQQZRDDH-JTQLQIEISA-N 2 0 257.403 0.297 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220701261 804651816 /nfs/dbraw/zinc/65/18/16/804651816.db2.gz YVOBNQBBKJKQKY-VXGBXAGGSA-N 2 0 252.362 0.368 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790841 804668058 /nfs/dbraw/zinc/66/80/58/804668058.db2.gz VDBUTQDIBOKVIH-YDHLFZDLSA-N 2 0 272.352 0.199 20 30 CCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220977826 804712398 /nfs/dbraw/zinc/71/23/98/804712398.db2.gz DGPMVFYFLFJJMA-KFWWJZLASA-N 2 0 295.427 0.598 20 30 CCEDRP N#Cc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cn1 ZINC001222094458 804867534 /nfs/dbraw/zinc/86/75/34/804867534.db2.gz GMLVVUGDPJUTQV-UHFFFAOYSA-N 2 0 271.368 0.481 20 30 CCEDRP N#Cc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)ccn1 ZINC001222104795 804869901 /nfs/dbraw/zinc/86/99/01/804869901.db2.gz LDDYVCNWJBCDDZ-UHFFFAOYSA-N 2 0 271.368 0.481 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229000106 805496124 /nfs/dbraw/zinc/49/61/24/805496124.db2.gz ZSSFFRQAJLUXDG-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCCCC[N@H+](C)C1CC1 ZINC001229712833 805551348 /nfs/dbraw/zinc/55/13/48/805551348.db2.gz HTIHNJKPGVMMNJ-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP N#Cc1cnc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246352611 807231093 /nfs/dbraw/zinc/23/10/93/807231093.db2.gz STLJRJWJFCFJRC-SECBINFHSA-N 2 0 263.370 0.198 20 30 CCEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578674 807299619 /nfs/dbraw/zinc/29/96/19/807299619.db2.gz HEKQDZSMTPJMRB-TUKIKUTGSA-N 2 0 259.353 0.741 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822081 807395081 /nfs/dbraw/zinc/39/50/81/807395081.db2.gz QWEGDFZZEUHESR-CQSZACIVSA-N 2 0 254.422 0.426 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCC ZINC001251885358 807735081 /nfs/dbraw/zinc/73/50/81/807735081.db2.gz TYVMRGCFBITAOS-AWEZNQCLSA-N 2 0 256.390 0.709 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001252472232 807883248 /nfs/dbraw/zinc/88/32/48/807883248.db2.gz QFXSVVVRYMSBAY-MGPQQGTHSA-N 2 0 254.374 0.433 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001262571188 809349562 /nfs/dbraw/zinc/34/95/62/809349562.db2.gz OKBPUHJFVWGFID-HZSPNIEDSA-N 2 0 278.400 0.829 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001263833674 809582949 /nfs/dbraw/zinc/58/29/49/809582949.db2.gz IWOMDJNFBWTPQB-VNQPRFMTSA-N 2 0 289.423 0.836 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974745 809908745 /nfs/dbraw/zinc/90/87/45/809908745.db2.gz ZQOCGRHOIJUBHI-UHFFFAOYSA-N 2 0 251.374 0.544 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001266190083 809958576 /nfs/dbraw/zinc/95/85/76/809958576.db2.gz YISOFUMQUZUDMA-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266224927 809966044 /nfs/dbraw/zinc/96/60/44/809966044.db2.gz GMTJDISLJBBLRC-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001279396001 809977190 /nfs/dbraw/zinc/97/71/90/809977190.db2.gz PUIZAXBYJQOYML-GASCZTMLSA-N 2 0 295.427 0.531 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001038263854 811091488 /nfs/dbraw/zinc/09/14/88/811091488.db2.gz AIUGSRJGRWLJAS-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267558602 811442982 /nfs/dbraw/zinc/44/29/82/811442982.db2.gz CMVRZJJEODCIAY-HOCLYGCPSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001100732041 811536224 /nfs/dbraw/zinc/53/62/24/811536224.db2.gz QSYRJHXDUCUMKA-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001267700901 811666019 /nfs/dbraw/zinc/66/60/19/811666019.db2.gz JODDRZIGMBACQK-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC(C)C ZINC001038366764 811791908 /nfs/dbraw/zinc/79/19/08/811791908.db2.gz JCGPLSHBBUWJKY-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001268010992 811949200 /nfs/dbraw/zinc/94/92/00/811949200.db2.gz RTMZLLOHDLNGBO-STQMWFEESA-N 2 0 253.390 0.692 20 30 CCEDRP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268028641 812015477 /nfs/dbraw/zinc/01/54/77/812015477.db2.gz KSLMYMFORHUMKC-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001268879518 813130343 /nfs/dbraw/zinc/13/03/43/813130343.db2.gz RZXISONFMPGWFG-ZDUSSCGKSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C1CC1 ZINC001269080047 813207056 /nfs/dbraw/zinc/20/70/56/813207056.db2.gz XETNBDPXHWODMH-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001269135311 813233113 /nfs/dbraw/zinc/23/31/13/813233113.db2.gz KHWRXXPXTLZAHH-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001269149434 813240234 /nfs/dbraw/zinc/24/02/34/813240234.db2.gz QXURTTMKRUKBEZ-OAHLLOKOSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270051617 813602968 /nfs/dbraw/zinc/60/29/68/813602968.db2.gz ZJQZFUVBVVXSEJ-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028983567 813723278 /nfs/dbraw/zinc/72/32/78/813723278.db2.gz CZAYKQYBRJCWST-KGLIPLIRSA-N 2 0 265.401 0.952 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028997763 813739315 /nfs/dbraw/zinc/73/93/15/813739315.db2.gz ZKPBEGVABNRVCG-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001029002911 813744018 /nfs/dbraw/zinc/74/40/18/813744018.db2.gz DKTRPTFLHPMOHX-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088003097 814308512 /nfs/dbraw/zinc/30/85/12/814308512.db2.gz JKBCIGMDTWFQLE-PMPSAXMXSA-N 2 0 291.439 0.986 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001271930666 814632882 /nfs/dbraw/zinc/63/28/82/814632882.db2.gz WEKUXHXPSLLVQN-GJZGRUSLSA-N 2 0 297.443 0.871 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046319708 816501411 /nfs/dbraw/zinc/50/14/11/816501411.db2.gz VLSCPSDLPGCSED-RDJZCZTQSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727000 816715558 /nfs/dbraw/zinc/71/55/58/816715558.db2.gz GRUZYDSRLBDJTM-XQLPTFJDSA-N 2 0 295.427 0.454 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106779508 816902699 /nfs/dbraw/zinc/90/26/99/816902699.db2.gz PQXZQBBLGMPTLJ-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643807 817413336 /nfs/dbraw/zinc/41/33/36/817413336.db2.gz MJJVCDVBPZLECS-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127700857 817469254 /nfs/dbraw/zinc/46/92/54/817469254.db2.gz FQOJOTXKOZEKSC-UONOGXRCSA-N 2 0 283.416 0.625 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032042466 817576974 /nfs/dbraw/zinc/57/69/74/817576974.db2.gz AUNSGAKBKDGSCG-UHFFFAOYSA-N 2 0 291.399 0.292 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780421 817860883 /nfs/dbraw/zinc/86/08/83/817860883.db2.gz YTMDQWJBYQLXDJ-QWHCGFSZSA-N 2 0 267.373 0.132 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780419 817860982 /nfs/dbraw/zinc/86/09/82/817860982.db2.gz YTMDQWJBYQLXDJ-CHWSQXEVSA-N 2 0 267.373 0.132 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081322 818497962 /nfs/dbraw/zinc/49/79/62/818497962.db2.gz MDWARUPALPFLFJ-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033594865 818843651 /nfs/dbraw/zinc/84/36/51/818843651.db2.gz RTUJVJBQGUSCTQ-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033666814 818875420 /nfs/dbraw/zinc/87/54/20/818875420.db2.gz ZTDNYDNJGLKCKD-ZDUSSCGKSA-N 2 0 251.374 0.801 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034395642 819193466 /nfs/dbraw/zinc/19/34/66/819193466.db2.gz AKGMAXUOUCJITB-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@@H](C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706013663 819597068 /nfs/dbraw/zinc/59/70/68/819597068.db2.gz SYIKWGBLVSVKFV-YNEHKIRRSA-N 2 0 266.389 0.344 20 30 CCEDRP CN(CC[NH+](C)C)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001163590118 820148055 /nfs/dbraw/zinc/14/80/55/820148055.db2.gz QZFFPVKGHGKERM-UHFFFAOYSA-N 2 0 273.384 0.987 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935108 820658534 /nfs/dbraw/zinc/65/85/34/820658534.db2.gz KURNNILOXYXFOV-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626953 821232847 /nfs/dbraw/zinc/23/28/47/821232847.db2.gz MZMJLQRRPJKDDG-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001085518328 821764615 /nfs/dbraw/zinc/76/46/15/821764615.db2.gz OZQOUNPWUYFCOF-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197755 822151782 /nfs/dbraw/zinc/15/17/82/822151782.db2.gz ZMGQXNLJQYDZTP-IGQOVBAYSA-N 2 0 263.385 0.302 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076767 822236561 /nfs/dbraw/zinc/23/65/61/822236561.db2.gz QWLRWLDZEAYYIM-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197420 837721822 /nfs/dbraw/zinc/72/18/22/837721822.db2.gz IHPPFYIXSAEQAV-SNVBAGLBSA-N 2 0 292.221 0.941 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135309290 839202002 /nfs/dbraw/zinc/20/20/02/839202002.db2.gz VASNQZGKPGQYMQ-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647458 844054211 /nfs/dbraw/zinc/05/42/11/844054211.db2.gz IJPQMMPGXHLRJX-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335695 838065368 /nfs/dbraw/zinc/06/53/68/838065368.db2.gz DZTWMMODOXMHOO-LZWOXQAQSA-N 2 0 269.348 0.435 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264762 838348202 /nfs/dbraw/zinc/34/82/02/838348202.db2.gz BCMMLUHMFOBSFB-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185158201 844349857 /nfs/dbraw/zinc/34/98/57/844349857.db2.gz POKAKTMGSZGHHP-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133831743 838731004 /nfs/dbraw/zinc/73/10/04/838731004.db2.gz UNIBVIIFQQGSQG-LLVKDONJSA-N 2 0 259.781 0.929 20 30 CCEDRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870610 838751609 /nfs/dbraw/zinc/75/16/09/838751609.db2.gz UXNQXLBFLFJXMB-NVXWUHKLSA-N 2 0 299.418 0.942 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020686 838817906 /nfs/dbraw/zinc/81/79/06/838817906.db2.gz FMERJQAVEVWXEM-CQSZACIVSA-N 2 0 281.400 0.216 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758080 839071360 /nfs/dbraw/zinc/07/13/60/839071360.db2.gz UXXHPUJAUICDAP-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135309291 839202362 /nfs/dbraw/zinc/20/23/62/839202362.db2.gz VASNQZGKPGQYMQ-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135928237 839472514 /nfs/dbraw/zinc/47/25/14/839472514.db2.gz RIZPSIWSGJISLO-KGLIPLIRSA-N 2 0 283.416 0.461 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963569 839483640 /nfs/dbraw/zinc/48/36/40/839483640.db2.gz UPGVEPHMFPWMSC-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001185683315 844445891 /nfs/dbraw/zinc/44/58/91/844445891.db2.gz WURSLLXRBYRDQB-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP N#Cc1c[nH]c2nc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170897078 839541773 /nfs/dbraw/zinc/54/17/73/839541773.db2.gz CTWOQYJNXXQSPE-SSDOTTSWSA-N 2 0 279.735 0.919 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715663 844453227 /nfs/dbraw/zinc/45/32/27/844453227.db2.gz HMTNZLDMAAVBTE-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001091031756 839989361 /nfs/dbraw/zinc/98/93/61/839989361.db2.gz ZTGVXUOHOPLJTN-PESDSKBTSA-N 2 0 277.412 0.999 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146355704 840292680 /nfs/dbraw/zinc/29/26/80/840292680.db2.gz BYNMWXIOEGKCBS-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877889 840710200 /nfs/dbraw/zinc/71/02/00/840710200.db2.gz OWIUPVPYTBGBHI-NSHDSACASA-N 2 0 259.781 0.787 20 30 CCEDRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC#CCOC ZINC001148570642 840832723 /nfs/dbraw/zinc/83/27/23/840832723.db2.gz JIHQNUATPMOFHC-UHFFFAOYSA-N 2 0 269.389 0.074 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN(C)CCO2)[C@H](C)C1 ZINC001092521593 841033675 /nfs/dbraw/zinc/03/36/75/841033675.db2.gz AAFZEBAFEDYRKV-MGPQQGTHSA-N 2 0 281.400 0.187 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176937265 842456253 /nfs/dbraw/zinc/45/62/53/842456253.db2.gz HVLSPISNMXICMN-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203355405 842689451 /nfs/dbraw/zinc/68/94/51/842689451.db2.gz SRWJKMPRKLZMJP-UHFFFAOYSA-N 2 0 275.396 0.686 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180132032 843103625 /nfs/dbraw/zinc/10/36/25/843103625.db2.gz STYLOGVFXVTKLD-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(O)CC[NH+](C)CC1 ZINC001182036056 843686190 /nfs/dbraw/zinc/68/61/90/843686190.db2.gz KEEHQRRDYZCZJS-ZDUSSCGKSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182973956 843951914 /nfs/dbraw/zinc/95/19/14/843951914.db2.gz VJGIQJCKWADLEB-OLZOCXBDSA-N 2 0 269.364 0.490 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221908 845357693 /nfs/dbraw/zinc/35/76/93/845357693.db2.gz SOHNZKJFRAPTRY-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488198 846092773 /nfs/dbraw/zinc/09/27/73/846092773.db2.gz MMKKRYZCTJFVHU-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP N#Cc1cncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001194112805 846215542 /nfs/dbraw/zinc/21/55/42/846215542.db2.gz JNQBSEBEKAMTDY-UHFFFAOYSA-N 2 0 260.301 0.028 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197050061 846832609 /nfs/dbraw/zinc/83/26/09/846832609.db2.gz VBPQEAPSVOOSIH-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC#CC)CC1 ZINC001152329883 846890757 /nfs/dbraw/zinc/89/07/57/846890757.db2.gz CWZDXUNCLLGHFY-UHFFFAOYSA-N 2 0 261.369 0.061 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111756 847234069 /nfs/dbraw/zinc/23/40/69/847234069.db2.gz KSOLNUHHJQJMKU-ZIAGYGMSSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200122921 847555693 /nfs/dbraw/zinc/55/56/93/847555693.db2.gz JVBHTPGCSVSISF-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800742 847813569 /nfs/dbraw/zinc/81/35/69/847813569.db2.gz PCLOXCLPFBKVLN-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049865 847851862 /nfs/dbraw/zinc/85/18/62/847851862.db2.gz RVUOOOQDIHXIPA-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202218103 847869031 /nfs/dbraw/zinc/86/90/31/847869031.db2.gz ZLNWYHQOHJGXOY-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504656 848003456 /nfs/dbraw/zinc/00/34/56/848003456.db2.gz VHDFPFXBXKCFJW-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001274578301 848510863 /nfs/dbraw/zinc/51/08/63/848510863.db2.gz HEINEBAIIVVXDT-MBVDDHJVSA-N 2 0 295.427 0.793 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001274719956 848550934 /nfs/dbraw/zinc/55/09/34/848550934.db2.gz LPGGNSQCZCSZGM-MELADBBJSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001274835612 848575851 /nfs/dbraw/zinc/57/58/51/848575851.db2.gz WWLOOQKJQAQBAW-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275415688 848715243 /nfs/dbraw/zinc/71/52/43/848715243.db2.gz QRZZDKLDUJMKJP-UONOGXRCSA-N 2 0 295.427 0.603 20 30 CCEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720708 848799817 /nfs/dbraw/zinc/79/98/17/848799817.db2.gz LORIILDPRYJQRI-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044733830 851151890 /nfs/dbraw/zinc/15/18/90/851151890.db2.gz RQYZROFDAAAADT-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CC)CC1 ZINC001045321501 851234174 /nfs/dbraw/zinc/23/41/74/851234174.db2.gz SUUMAMDXLBNNJX-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381785 851745325 /nfs/dbraw/zinc/74/53/25/851745325.db2.gz RSFWQBSJBNWWCJ-KKUMJFAQSA-N 2 0 293.411 0.018 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047628997 851841512 /nfs/dbraw/zinc/84/15/12/851841512.db2.gz OCMFNTDKGIOUSI-IHRRRGAJSA-N 2 0 281.400 0.018 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213169 852193260 /nfs/dbraw/zinc/19/32/60/852193260.db2.gz IWCSICGRJASLDA-SOUVJXGZSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049889610 852390100 /nfs/dbraw/zinc/39/01/00/852390100.db2.gz HHSJAKZGHURKRD-SOUVJXGZSA-N 2 0 275.396 0.637 20 30 CCEDRP CC[C@@H](CC#N)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001255157907 853130847 /nfs/dbraw/zinc/13/08/47/853130847.db2.gz YSEHCOBLTURMPR-UMSGYPCISA-N 2 0 255.362 0.993 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077165 854525799 /nfs/dbraw/zinc/52/57/99/854525799.db2.gz IUXVYWCWKCAEKX-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073554644 854591439 /nfs/dbraw/zinc/59/14/39/854591439.db2.gz KOGLWIFENQXJOY-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073554565 854592604 /nfs/dbraw/zinc/59/26/04/854592604.db2.gz JAGDVIQIZJHYEX-UONOGXRCSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001074654781 854763031 /nfs/dbraw/zinc/76/30/31/854763031.db2.gz CSHWIANBHXKAKB-CFVMTHIKSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099119263 854915569 /nfs/dbraw/zinc/91/55/69/854915569.db2.gz LPTQETWONWBDFK-ZOBUZTSGSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878917 855015675 /nfs/dbraw/zinc/01/56/75/855015675.db2.gz BGRBTJOMOJXXPF-GJZGRUSLSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001100986741 855251029 /nfs/dbraw/zinc/25/10/29/855251029.db2.gz ZYZYOMUGXWMNCI-NFOMZHRRSA-N 2 0 293.411 0.072 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473871 855438042 /nfs/dbraw/zinc/43/80/42/855438042.db2.gz UNCYMSTWMUNSSG-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115143981 855645860 /nfs/dbraw/zinc/64/58/60/855645860.db2.gz OOZWBXDZDNWIDF-FOLVSLTJSA-N 2 0 277.412 0.788 20 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C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383056 895522152 /nfs/dbraw/zinc/52/21/52/895522152.db2.gz DZTZUVQJCSQKOC-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484377844 896365613 /nfs/dbraw/zinc/36/56/13/896365613.db2.gz SZDCRAGKKIOXKP-KGLIPLIRSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC1 ZINC001484650464 896518963 /nfs/dbraw/zinc/51/89/63/896518963.db2.gz WHUXHZQOKNWYMS-CYBMUJFWSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001484692990 896540394 /nfs/dbraw/zinc/54/03/94/896540394.db2.gz AAAIFGZVOVBYGA-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001484856666 896635409 /nfs/dbraw/zinc/63/54/09/896635409.db2.gz OQJYGZNNEGMGJC-HNNXBMFYSA-N 2 0 283.416 0.457 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001485161211 896830613 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/nfs/dbraw/zinc/71/48/90/898714890.db2.gz KODOMWOCZCKNOK-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001486439721 898876439 /nfs/dbraw/zinc/87/64/39/898876439.db2.gz JXWRWTZDXBFZPL-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001327130200 914391226 /nfs/dbraw/zinc/39/12/26/914391226.db2.gz FKSUWYRVWVAHGQ-RYUDHWBXSA-N 2 0 252.362 0.513 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490569870 900668322 /nfs/dbraw/zinc/66/83/22/900668322.db2.gz LGGJEGHCTWILKO-QWHCGFSZSA-N 2 0 253.390 0.949 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001322999150 901022664 /nfs/dbraw/zinc/02/26/64/901022664.db2.gz FMJOFJBAHFLXKB-MRVWCRGKSA-N 2 0 263.385 0.444 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001327660523 914687367 /nfs/dbraw/zinc/68/73/67/914687367.db2.gz AQPXKSVVIBOYCL-VXGBXAGGSA-N 2 0 252.362 0.513 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC001280597443 904124232 /nfs/dbraw/zinc/12/42/32/904124232.db2.gz UQJHCGWAQAWKSU-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001281193851 904240214 /nfs/dbraw/zinc/24/02/14/904240214.db2.gz VWNOTRPJOBGWCU-GDBMZVCRSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001282220669 904435233 /nfs/dbraw/zinc/43/52/33/904435233.db2.gz UJWRNHYVGKRDSI-CHWSQXEVSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284004515 905113597 /nfs/dbraw/zinc/11/35/97/905113597.db2.gz SIIQGJRKGQIFKW-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316639524 905662673 /nfs/dbraw/zinc/66/26/73/905662673.db2.gz PNLZVECUUBXJEW-RBSFLKMASA-N 2 0 293.411 0.072 20 30 CCEDRP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001491641275 907477755 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CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001317549448 909316584 /nfs/dbraw/zinc/31/65/84/909316584.db2.gz UWNAPVJSXIHKIP-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001338520924 921496577 /nfs/dbraw/zinc/49/65/77/921496577.db2.gz MOENHPNVPMKCJX-OLZOCXBDSA-N 2 0 280.416 0.792 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001319130177 909996951 /nfs/dbraw/zinc/99/69/51/909996951.db2.gz PALDTOROIZDMRK-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C[C@H](COC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001320439407 910673053 /nfs/dbraw/zinc/67/30/53/910673053.db2.gz MSIXIJXEBGNQGI-CYBMUJFWSA-N 2 0 286.420 0.322 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320640665 910774656 /nfs/dbraw/zinc/77/46/56/910774656.db2.gz SWVOHRBLVSYFRZ-ZIAGYGMSSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321522620 911348375 /nfs/dbraw/zinc/34/83/75/911348375.db2.gz PKBZOQHCNQWMDG-TZMCWYRMSA-N 2 0 263.385 0.446 20 30 CCEDRP C=C(CC)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001328940918 915531265 /nfs/dbraw/zinc/53/12/65/915531265.db2.gz CUSNCUIHKNCVIH-UHFFFAOYSA-N 2 0 298.431 0.021 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001329282311 915789888 /nfs/dbraw/zinc/78/98/88/915789888.db2.gz RDFXFUMCCVFBME-ZIAGYGMSSA-N 2 0 294.399 0.188 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001329411552 915891195 /nfs/dbraw/zinc/89/11/95/915891195.db2.gz PLPYZQROVBSUPX-OLZOCXBDSA-N 2 0 269.389 0.330 20 30 CCEDRP C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001333683305 919095199 /nfs/dbraw/zinc/09/51/99/919095199.db2.gz LQXKSROJOMTAAT-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[NH2+]C1 ZINC001333748349 919134941 /nfs/dbraw/zinc/13/49/41/919134941.db2.gz CVYIZWSNCFSFLA-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC001334168515 919399228 /nfs/dbraw/zinc/39/92/28/919399228.db2.gz PATUYSGIIXRGEL-OKILXGFUSA-N 2 0 292.427 0.840 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001340297402 922043703 /nfs/dbraw/zinc/04/37/03/922043703.db2.gz MGVFKOPORLXKAA-KGLIPLIRSA-N 2 0 280.416 0.176 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001340937117 922283729 /nfs/dbraw/zinc/28/37/29/922283729.db2.gz VIBHKQDEWRPYIX-ZIAGYGMSSA-N 2 0 263.385 0.447 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC001341652481 922606821 /nfs/dbraw/zinc/60/68/21/922606821.db2.gz NGWDTBTWDRDTBK-UTUOFQBUSA-N 2 0 252.362 0.369 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001341660180 922611551 /nfs/dbraw/zinc/61/15/51/922611551.db2.gz URHAFZIUUJBXKK-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200116616 925628212 /nfs/dbraw/zinc/62/82/12/925628212.db2.gz YXFXTRYLBASASZ-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCN(CC[C@@H](C)O)C1CC[NH+](CC[C@H](C)O)CC1 ZINC001352935497 925676959 /nfs/dbraw/zinc/67/69/59/925676959.db2.gz OCHJCOCDDKHEEG-LSDHHAIUSA-N 2 0 282.428 0.928 20 30 CCEDRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600728598 362047124 /nfs/dbraw/zinc/04/71/24/362047124.db2.gz VLELTCOSIAIZDZ-KBPBESRZSA-N 2 0 283.416 0.988 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601555184 362309941 /nfs/dbraw/zinc/30/99/41/362309941.db2.gz WSNXVPSJTXZBAW-AVGNSLFASA-N 2 0 264.373 0.608 20 30 CCEDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(C#N)c1 ZINC000071148814 348904721 /nfs/dbraw/zinc/90/47/21/348904721.db2.gz BTBVIRVIMUEGHL-UHFFFAOYSA-N 2 0 258.369 0.895 20 30 CCEDRP CN1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000226043743 352018740 /nfs/dbraw/zinc/01/87/40/352018740.db2.gz XYRMLWGVFZQFCD-LSDHHAIUSA-N 2 0 289.379 0.982 20 30 CCEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[NH3+] ZINC000418296637 234058898 /nfs/dbraw/zinc/05/88/98/234058898.db2.gz MDDAPWNVTVQWEP-UHFFFAOYSA-N 2 0 289.383 0.590 20 30 CCEDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@@H+]1C ZINC000574749852 359039957 /nfs/dbraw/zinc/03/99/57/359039957.db2.gz CTQGXLZRQBDIPD-HZSPNIEDSA-N 2 0 268.405 0.265 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000591934291 359706553 /nfs/dbraw/zinc/70/65/53/359706553.db2.gz SGRZMFXMZVUIJU-CQSZACIVSA-N 2 0 287.367 0.751 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000611194795 363679310 /nfs/dbraw/zinc/67/93/10/363679310.db2.gz NJYPCIZBAYEBIO-INIZCTEOSA-N 2 0 279.428 0.737 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000594436597 360304900 /nfs/dbraw/zinc/30/49/00/360304900.db2.gz OEXBIDZLKWKWND-DTWKUNHWSA-N 2 0 280.294 0.794 20 30 CCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435714 360304933 /nfs/dbraw/zinc/30/49/33/360304933.db2.gz IRHLNONQMNWAKE-WDEREUQCSA-N 2 0 252.362 0.654 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439500 360308673 /nfs/dbraw/zinc/30/86/73/360308673.db2.gz RIAAXZUCFSORJV-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000594455560 360317174 /nfs/dbraw/zinc/31/71/74/360317174.db2.gz ZEBNSHQUFJXBPF-FRRDWIJNSA-N 2 0 282.388 0.220 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260920 360464393 /nfs/dbraw/zinc/46/43/93/360464393.db2.gz NKUFAFNAWOVRQX-OUAUKWLOSA-N 2 0 256.325 0.295 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598667207 361475803 /nfs/dbraw/zinc/47/58/03/361475803.db2.gz FYONIUPDQJROLP-MBNYWOFBSA-N 2 0 264.373 0.737 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598668730 361477145 /nfs/dbraw/zinc/47/71/45/361477145.db2.gz ZIKTXHXBWOINDD-GVXVVHGQSA-N 2 0 250.346 0.347 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598668732 361477234 /nfs/dbraw/zinc/47/72/34/361477234.db2.gz ZIKTXHXBWOINDD-NTZNESFSSA-N 2 0 250.346 0.347 20 30 CCEDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598725650 361497158 /nfs/dbraw/zinc/49/71/58/361497158.db2.gz YJQPJOKDCYWJQC-AWEZNQCLSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638099854 374663431 /nfs/dbraw/zinc/66/34/31/374663431.db2.gz JXYIETHERDZNKF-AWEZNQCLSA-N 2 0 267.373 0.132 20 30 CCEDRP C=CCOCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000339056925 389123113 /nfs/dbraw/zinc/12/31/13/389123113.db2.gz ZKCRBTAWJZYASO-UHFFFAOYSA-N 2 0 255.406 0.758 20 30 CCEDRP C[C@H]1C[N@H+](CCOCCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339059101 389123365 /nfs/dbraw/zinc/12/33/65/389123365.db2.gz FRCAXUUIXOPQTJ-JKSUJKDBSA-N 2 0 294.443 0.874 20 30 CCEDRP COCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000264071050 389304701 /nfs/dbraw/zinc/30/47/01/389304701.db2.gz GFOBNVBECVRUCJ-AWEZNQCLSA-N 2 0 294.399 0.849 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1ccnc1 ZINC000264074022 389304830 /nfs/dbraw/zinc/30/48/30/389304830.db2.gz GUYBNQYMVILVMY-LBPRGKRZSA-N 2 0 264.377 0.272 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1ccnc1C ZINC000264083180 389305601 /nfs/dbraw/zinc/30/56/01/389305601.db2.gz IDXKEWNGTOJXIV-ZDUSSCGKSA-N 2 0 278.404 0.580 20 30 CCEDRP CCNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264101908 389307121 /nfs/dbraw/zinc/30/71/21/389307121.db2.gz ONHLSBGHHPTRGA-AWEZNQCLSA-N 2 0 276.384 0.330 20 30 CCEDRP CNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264118693 389307665 /nfs/dbraw/zinc/30/76/65/389307665.db2.gz UGDSBEXOVDZFHM-UHFFFAOYSA-N 3 0 276.388 0.128 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000267472243 389371326 /nfs/dbraw/zinc/37/13/26/389371326.db2.gz YCXKVYZHTBDHFG-DOMZBBRYSA-N 2 0 294.399 0.876 20 30 CCEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000269498328 389423152 /nfs/dbraw/zinc/42/31/52/389423152.db2.gz WBHMBWCZYGHQKW-HNNXBMFYSA-N 2 0 287.411 0.975 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH2+]CCC)CC1 ZINC000417532146 389828052 /nfs/dbraw/zinc/82/80/52/389828052.db2.gz SHVYJUJJMGJZCC-UHFFFAOYSA-N 2 0 268.405 0.936 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000491308890 390111737 /nfs/dbraw/zinc/11/17/37/390111737.db2.gz WSTUDUKWIVXNFJ-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000564922380 390498065 /nfs/dbraw/zinc/49/80/65/390498065.db2.gz CGLUSTGGSYAUGJ-UHFFFAOYSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814279 390590025 /nfs/dbraw/zinc/59/00/25/390590025.db2.gz MXZQLQDRQWHIBZ-ZIAGYGMSSA-N 2 0 293.411 0.461 20 30 CCEDRP C=CC1CC[NH+](C[C@@H](O)CN(C)CCOC)CC1 ZINC000653555664 412317733 /nfs/dbraw/zinc/31/77/33/412317733.db2.gz OAFGVVOVQCVWSA-AWEZNQCLSA-N 2 0 256.390 0.824 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC2(COC)CC[NH2+]CC2)CCC[NH2+]1 ZINC000662776436 414783685 /nfs/dbraw/zinc/78/36/85/414783685.db2.gz LULDWNNEMRJYQB-INIZCTEOSA-N 2 0 295.427 0.817 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662696893 414742741 /nfs/dbraw/zinc/74/27/41/414742741.db2.gz YGBAUKIMYCHESV-CQSZACIVSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906365 414885606 /nfs/dbraw/zinc/88/56/06/414885606.db2.gz IYAQAVZOVJKUHJ-GOEBONIOSA-N 2 0 292.427 0.191 20 30 CCEDRP CNC(NCc1cccc(CNC(NC)=[NH+]C)c1)=[NH+]C ZINC000164298338 261346860 /nfs/dbraw/zinc/34/68/60/261346860.db2.gz ITHMJNUHJHDZNF-UHFFFAOYSA-N 2 0 276.388 0.276 20 30 CCEDRP C[C@H]1C[NH+]=C(NCc2ccnc(N3CC[NH+](C)CC3)c2)N1 ZINC000262476956 262774076 /nfs/dbraw/zinc/77/40/76/262774076.db2.gz CHVLUTYAOURWLL-LBPRGKRZSA-N 2 0 288.399 0.271 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCc2ccncc2OCCC[NH+](C)C)N1 ZINC000288806725 263106224 /nfs/dbraw/zinc/10/62/24/263106224.db2.gz ZVILWGYEPRXNAQ-GFCCVEGCSA-N 2 0 291.399 0.849 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnccc1OC ZINC000292233336 263129888 /nfs/dbraw/zinc/12/98/88/263129888.db2.gz BFHKXCWUPLIWPT-ZDUSSCGKSA-N 2 0 291.399 0.979 20 30 CCEDRP CC[C@@H]1C[N@H+](CC#CC[NH+]2C[C@@H](CC)[C@H](O)C2)C[C@@H]1O ZINC000341902926 263365140 /nfs/dbraw/zinc/36/51/40/263365140.db2.gz GHQYACXVYLEUBP-FPCVCCKLSA-N 2 0 280.412 0.395 20 30 CCEDRP C[N@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)CC1 ZINC000331138061 264135564 /nfs/dbraw/zinc/13/55/64/264135564.db2.gz WDSSUYJQYHHGMA-AWEZNQCLSA-N 2 0 298.431 0.383 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000334905462 277857563 /nfs/dbraw/zinc/85/75/63/277857563.db2.gz AGMWGBJEVUMFDX-OCCSQVGLSA-N 2 0 278.400 0.640 20 30 CCEDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000584166703 327054421 /nfs/dbraw/zinc/05/44/21/327054421.db2.gz JVFWQYXJBJYKPK-LBPRGKRZSA-N 2 0 272.352 0.641 20 30 CCEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N1CCO[C@@H](COC)C1 ZINC000179263834 329206915 /nfs/dbraw/zinc/20/69/15/329206915.db2.gz MGENQTVKJKZRKY-CQSZACIVSA-N 2 0 298.431 0.251 20 30 CCEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000262244940 330002436 /nfs/dbraw/zinc/00/24/36/330002436.db2.gz ASKBZWXMDLHNKD-INIZCTEOSA-N 2 0 290.411 0.760 20 30 CCEDRP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)N1CCOCC1 ZINC000262432896 330010422 /nfs/dbraw/zinc/01/04/22/330010422.db2.gz FRKLQJBFLXZOEM-UHFFFAOYSA-N 2 0 266.389 0.650 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262434039 330010500 /nfs/dbraw/zinc/01/05/00/330010500.db2.gz FUBOQIYZFDCCSF-RYUDHWBXSA-N 2 0 254.378 0.506 20 30 CCEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCOCC1 ZINC000262526374 330019560 /nfs/dbraw/zinc/01/95/60/330019560.db2.gz LDBZKFXCOYZRHQ-UHFFFAOYSA-N 2 0 296.415 0.278 20 30 CCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCCCCC1 ZINC000262795395 330032105 /nfs/dbraw/zinc/03/21/05/330032105.db2.gz PKBFLGDYDFDILS-CYBMUJFWSA-N 2 0 265.405 0.177 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000424129383 330260066 /nfs/dbraw/zinc/26/00/66/330260066.db2.gz DFINYHCZMWQRIZ-ZDUSSCGKSA-N 2 0 266.389 1.000 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000424130936 330262095 /nfs/dbraw/zinc/26/20/95/330262095.db2.gz FVCVQNAQHZQERN-GFCCVEGCSA-N 2 0 252.362 0.610 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424133073 330265396 /nfs/dbraw/zinc/26/53/96/330265396.db2.gz IVWKWAYAIOQFAQ-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424148336 330295099 /nfs/dbraw/zinc/29/50/99/330295099.db2.gz UGIMBCSABXFTSM-YNEHKIRRSA-N 2 0 266.389 0.997 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000490555339 332091441 /nfs/dbraw/zinc/09/14/41/332091441.db2.gz CMTZGHMYYCRPIB-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000490604398 332094812 /nfs/dbraw/zinc/09/48/12/332094812.db2.gz KGELCJIEXQNXCM-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@](C)(CC)C2)CC1 ZINC000490830889 332118558 /nfs/dbraw/zinc/11/85/58/332118558.db2.gz NMEYDKKINGTNAG-MRXNPFEDSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000491201505 332164559 /nfs/dbraw/zinc/16/45/59/332164559.db2.gz IHELZIXOBXHABJ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCN(C)CCC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000491326707 332190670 /nfs/dbraw/zinc/19/06/70/332190670.db2.gz PMZBAQNDLZRECT-UHFFFAOYSA-N 2 0 267.373 0.762 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000491326911 332190955 /nfs/dbraw/zinc/19/09/55/332190955.db2.gz RIBPUOLGIBTHLZ-UONOGXRCSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CCC[NH+](C)C ZINC000491340634 332193719 /nfs/dbraw/zinc/19/37/19/332193719.db2.gz ZCNXPGAOFALIGD-UHFFFAOYSA-N 2 0 268.405 0.535 20 30 CCEDRP C#CCNC(=O)CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000491665504 332274102 /nfs/dbraw/zinc/27/41/02/332274102.db2.gz VEDRFCCAVMQLFC-UHFFFAOYSA-N 2 0 251.374 0.544 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000491712918 332304133 /nfs/dbraw/zinc/30/41/33/332304133.db2.gz YFMQJICCFJKPAS-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000491821033 332370426 /nfs/dbraw/zinc/37/04/26/332370426.db2.gz UNFGMUIRLBNEPY-CQSZACIVSA-N 2 0 280.416 0.583 20 30 CCEDRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000581938475 336172893 /nfs/dbraw/zinc/17/28/93/336172893.db2.gz CDCFPTMGHWQIEA-INIZCTEOSA-N 2 0 296.459 0.903 20 30 CCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCC#N ZINC000787365765 581469308 /nfs/dbraw/zinc/46/93/08/581469308.db2.gz CXRFMVVMCOGQTD-UHFFFAOYSA-N 2 0 283.420 0.815 20 30 CCEDRP CCC[NH+]1CCC(N(C)CC(=O)NCCC#N)CC1 ZINC000731846809 581783011 /nfs/dbraw/zinc/78/30/11/581783011.db2.gz ONMJMJHYXQJHQA-UHFFFAOYSA-N 2 0 266.389 0.822 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2CC([NH+](C)C)C2)CC1 ZINC000773486997 581929484 /nfs/dbraw/zinc/92/94/84/581929484.db2.gz MBMHKGYGSAKVPG-UHFFFAOYSA-N 2 0 263.385 0.540 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000764287485 582041616 /nfs/dbraw/zinc/04/16/16/582041616.db2.gz GXMJPUJVICFSGI-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(CCOC)CC[NH+](C)C ZINC000764508990 582053579 /nfs/dbraw/zinc/05/35/79/582053579.db2.gz PGZLXEBUVGBUHH-UHFFFAOYSA-N 2 0 257.378 0.141 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000764536755 582055421 /nfs/dbraw/zinc/05/54/21/582055421.db2.gz GSCHHOFDGRQOQB-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972177146 613093134 /nfs/dbraw/zinc/09/31/34/613093134.db2.gz OHYPLAMWUVKOMB-KKUMJFAQSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCN(CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000932394063 613102763 /nfs/dbraw/zinc/10/27/63/613102763.db2.gz HLSOTRZGNBVDEU-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000968702416 612962627 /nfs/dbraw/zinc/96/26/27/612962627.db2.gz HHGAADYVYSKYSM-ZIAGYGMSSA-N 2 0 261.369 0.152 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365365 612994000 /nfs/dbraw/zinc/99/40/00/612994000.db2.gz AUCPXJSPVZLBRT-CYBMUJFWSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000820196418 612998794 /nfs/dbraw/zinc/99/87/94/612998794.db2.gz COEHIJOVCHPNNS-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961787739 613042650 /nfs/dbraw/zinc/04/26/50/613042650.db2.gz LJJMSEGXZZGALY-NYTXWWLZSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CCN(C(=O)N[C@H]1CC[N@@H+](CC)C1)C1CC[NH+](C)CC1 ZINC000922911031 613068191 /nfs/dbraw/zinc/06/81/91/613068191.db2.gz XPNINNSJGCAOPR-AWEZNQCLSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)C(=C)CC[NH+](C)C ZINC000908435925 613072606 /nfs/dbraw/zinc/07/26/06/613072606.db2.gz LSUUVZJGMMPTEH-UHFFFAOYSA-N 2 0 251.374 0.566 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000928657419 613133004 /nfs/dbraw/zinc/13/30/04/613133004.db2.gz IBQBPNKIFZIEIA-UHFFFAOYSA-N 2 0 287.407 0.545 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000897518464 613133958 /nfs/dbraw/zinc/13/39/58/613133958.db2.gz HMQWQNLBGHWTNU-CQSZACIVSA-N 2 0 292.427 0.868 20 30 CCEDRP C[NH+]=C(NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)NC1CC1 ZINC000103337802 613219384 /nfs/dbraw/zinc/21/93/84/613219384.db2.gz WXOQGOZIARANFG-TXEJJXNPSA-N 2 0 268.405 0.813 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900604148 613304694 /nfs/dbraw/zinc/30/46/94/613304694.db2.gz BBHLOLIDQNAUIT-HOCLYGCPSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC000978366371 613308562 /nfs/dbraw/zinc/30/85/62/613308562.db2.gz JQBKJSRRQGTYCK-APIJFGDWSA-N 2 0 275.396 0.398 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374786 613342668 /nfs/dbraw/zinc/34/26/68/613342668.db2.gz OHDNBJCMMCAYJN-CABCVRRESA-N 2 0 295.427 0.313 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000849033943 613346406 /nfs/dbraw/zinc/34/64/06/613346406.db2.gz FWLCVDZABCMIMA-LBPRGKRZSA-N 2 0 254.378 0.523 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000901227136 613364418 /nfs/dbraw/zinc/36/44/18/613364418.db2.gz BJTHKVJJFUSREA-CHWSQXEVSA-N 2 0 285.457 0.998 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000900191980 613364697 /nfs/dbraw/zinc/36/46/97/613364697.db2.gz IIHKEMWDAXLAKC-UHFFFAOYSA-N 2 0 296.459 0.638 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000901139279 613364752 /nfs/dbraw/zinc/36/47/52/613364752.db2.gz QBQPHYYQCXRZQU-HNNXBMFYSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000900441048 613365791 /nfs/dbraw/zinc/36/57/91/613365791.db2.gz JEOVWWGHNICDSS-UHFFFAOYSA-N 2 0 279.388 0.891 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000798282113 613366572 /nfs/dbraw/zinc/36/65/72/613366572.db2.gz GBRGNAQYUIWYRX-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCOC ZINC000876744260 613389847 /nfs/dbraw/zinc/38/98/47/613389847.db2.gz AXHZVUHTLOVVJX-JTQLQIEISA-N 2 0 263.769 0.151 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000923429995 613586622 /nfs/dbraw/zinc/58/66/22/613586622.db2.gz CKOCVEQQFQTGJW-FMKPAKJESA-N 2 0 295.427 0.550 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549149 613592713 /nfs/dbraw/zinc/59/27/13/613592713.db2.gz NKLFMARTEGVVSG-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC000961774339 613634277 /nfs/dbraw/zinc/63/42/77/613634277.db2.gz QYUONGZCUXFOLX-NYTXWWLZSA-N 2 0 275.396 0.540 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970746911 613661533 /nfs/dbraw/zinc/66/15/33/613661533.db2.gz PBCRIKGWTKSOLN-GFCCVEGCSA-N 2 0 263.385 0.705 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969382492 613668964 /nfs/dbraw/zinc/66/89/64/613668964.db2.gz SXVNETMCUDMQMT-AAEUAGOBSA-N 2 0 251.374 0.703 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960778384 613837168 /nfs/dbraw/zinc/83/71/68/613837168.db2.gz WGKNHLUYJBLTAQ-WDNDVIMCSA-N 2 0 275.396 0.847 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961781631 613837524 /nfs/dbraw/zinc/83/75/24/613837524.db2.gz UWRDPYVNJVZUFQ-NHAGDIPZSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843339923 613886010 /nfs/dbraw/zinc/88/60/10/613886010.db2.gz DTDBDLQFCIRTCX-JHJVBQTASA-N 2 0 272.414 0.565 20 30 CCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884033866 614188718 /nfs/dbraw/zinc/18/87/18/614188718.db2.gz VNBWRCXKGFQSAN-ICRTXTNUSA-N 2 0 278.400 0.615 20 30 CCEDRP CC[NH+](CC)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884175224 614994994 /nfs/dbraw/zinc/99/49/94/614994994.db2.gz MOYJFGUKXRMATJ-OWYJLGKBSA-N 2 0 278.400 0.584 20 30 CCEDRP CC[NH2+]CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876520919 615087395 /nfs/dbraw/zinc/08/73/95/615087395.db2.gz FYAIWGLCCJOODT-AWEZNQCLSA-N 2 0 272.352 0.471 20 30 CCEDRP C[NH+](C)C[C@@]1(O)CCCN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886273571 615937003 /nfs/dbraw/zinc/93/70/03/615937003.db2.gz BYKMKZAOTWEMEY-ZBFHGGJFSA-N 2 0 295.427 0.820 20 30 CCEDRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834494482 615955158 /nfs/dbraw/zinc/95/51/58/615955158.db2.gz NJGGPIFWOGOMRP-KGLIPLIRSA-N 2 0 272.352 0.590 20 30 CCEDRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876957730 616051612 /nfs/dbraw/zinc/05/16/12/616051612.db2.gz FCBBHHYBSXVBSK-AWEZNQCLSA-N 2 0 286.379 0.941 20 30 CCEDRP C[N@@H+]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876805873 616185699 /nfs/dbraw/zinc/18/56/99/616185699.db2.gz GZWUYFYLTVOBPS-INIZCTEOSA-N 2 0 298.390 0.909 20 30 CCEDRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841849709 617052413 /nfs/dbraw/zinc/05/24/13/617052413.db2.gz ICFKNARPTSZXTO-AXFHLTTASA-N 2 0 252.362 0.238 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001022920664 622851248 /nfs/dbraw/zinc/85/12/48/622851248.db2.gz JVLCQKNGNLWDNG-GASCZTMLSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023569726 623067985 /nfs/dbraw/zinc/06/79/85/623067985.db2.gz QPSVYXYOLAWBSE-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703408 623107598 /nfs/dbraw/zinc/10/75/98/623107598.db2.gz JPVWOCGAUVIDSG-OAHLLOKOSA-N 2 0 289.423 0.934 20 30 CCEDRP CCC(CC)[C@H](CNC(=[NH2+])NCCOC)[NH+](C)C ZINC000066245156 623443474 /nfs/dbraw/zinc/44/34/74/623443474.db2.gz SPJUISSCYFKVLK-LBPRGKRZSA-N 2 0 258.410 0.904 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024803411 623448288 /nfs/dbraw/zinc/44/82/88/623448288.db2.gz HUDCQFUJGVIBNZ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598215 623842538 /nfs/dbraw/zinc/84/25/38/623842538.db2.gz WHNDEUWITHGAKV-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598216 623842628 /nfs/dbraw/zinc/84/26/28/623842628.db2.gz WHNDEUWITHGAKV-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160613974 624812953 /nfs/dbraw/zinc/81/29/53/624812953.db2.gz MITYCPPMWKSDFV-CYBMUJFWSA-N 2 0 298.431 0.571 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261872721 624836134 /nfs/dbraw/zinc/83/61/34/624836134.db2.gz PGWGYOOYFLAYSZ-OLZOCXBDSA-N 2 0 268.405 0.944 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022097254 624873182 /nfs/dbraw/zinc/87/31/82/624873182.db2.gz QMBIZASISMYVPG-BETUJISGSA-N 2 0 291.399 0.481 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000104174641 630767775 /nfs/dbraw/zinc/76/77/75/630767775.db2.gz SXFSYZRTTITITK-CQSZACIVSA-N 2 0 281.448 0.671 20 30 CCEDRP COCCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000178726011 631533320 /nfs/dbraw/zinc/53/33/20/631533320.db2.gz YQHOIXLSHUKFDL-CYBMUJFWSA-N 2 0 270.421 0.905 20 30 CCEDRP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261947041 631721327 /nfs/dbraw/zinc/72/13/27/631721327.db2.gz GFLWNGQXDITWJW-WCBMZHEXSA-N 2 0 260.332 0.899 20 30 CCEDRP C[NH+]=C(NCCN1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261949607 631726562 /nfs/dbraw/zinc/72/65/62/631726562.db2.gz GYKGNZHEFCWWEZ-GXTWGEPZSA-N 2 0 279.432 0.340 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303708085 632490938 /nfs/dbraw/zinc/49/09/38/632490938.db2.gz MSTTXLOROIXTMW-CYBMUJFWSA-N 3 0 269.437 0.717 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303976712 632501842 /nfs/dbraw/zinc/50/18/42/632501842.db2.gz KKQRXTKEBVZDAG-UHFFFAOYSA-N 2 0 299.488 0.378 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)n1 ZINC000303988923 632502587 /nfs/dbraw/zinc/50/25/87/632502587.db2.gz WYXXWWLYCRIDKC-CYBMUJFWSA-N 2 0 291.399 0.979 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359438 632861438 /nfs/dbraw/zinc/86/14/38/632861438.db2.gz OLVNFROHFUMWAN-STQMWFEESA-N 2 0 263.385 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)[C@@H]1C ZINC000987531090 632877278 /nfs/dbraw/zinc/87/72/78/632877278.db2.gz JWLDDPZTAUHZGN-YPMHNXCESA-N 2 0 260.341 0.404 20 30 CCEDRP C=CCNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000179243050 633092718 /nfs/dbraw/zinc/09/27/18/633092718.db2.gz OHBIZXFVSCNOPZ-UHFFFAOYSA-N 2 0 277.372 0.612 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989584682 633331342 /nfs/dbraw/zinc/33/13/42/633331342.db2.gz KYMGBOZJVQZIJB-UHFFFAOYSA-N 2 0 288.395 0.910 20 30 CCEDRP CC#CCN1CCCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000989708065 633347399 /nfs/dbraw/zinc/34/73/99/633347399.db2.gz NCIOEYDGUNECSN-HNNXBMFYSA-N 2 0 293.411 0.265 20 30 CCEDRP CNC(NCCCCCCNC(NC)=[NH+]C)=[NH+]C ZINC000164298472 636866120 /nfs/dbraw/zinc/86/61/20/636866120.db2.gz BKIJKVKCRPRRHB-UHFFFAOYSA-N 2 0 256.398 0.136 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821506 638802179 /nfs/dbraw/zinc/80/21/79/638802179.db2.gz IMJNZCSZPRDOBU-HUUCEWRRSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996942546 638845220 /nfs/dbraw/zinc/84/52/20/638845220.db2.gz BDJBYSUVNNHIGW-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014455559 650452893 /nfs/dbraw/zinc/45/28/93/650452893.db2.gz MAHQBLMIQZKXQH-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379524 638977456 /nfs/dbraw/zinc/97/74/56/638977456.db2.gz ZBOBKACZDQVXQZ-ZIAGYGMSSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000533272 639113891 /nfs/dbraw/zinc/11/38/91/639113891.db2.gz RXDZRSOCDPELEL-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002475405 639419404 /nfs/dbraw/zinc/41/94/04/639419404.db2.gz NEFTUVBWLKIMHC-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003626055 639579303 /nfs/dbraw/zinc/57/93/03/639579303.db2.gz KPXPNFUXOGPNRY-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000834484275 642574410 /nfs/dbraw/zinc/57/44/10/642574410.db2.gz GPEJEFQPILJKAM-UXAWBVGHSA-N 2 0 276.384 0.368 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834484345 642574655 /nfs/dbraw/zinc/57/46/55/642574655.db2.gz HMJAHQVCZOCODN-AVCYUNSRSA-N 2 0 262.357 0.135 20 30 CCEDRP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCCCCC1 ZINC000834490108 642579339 /nfs/dbraw/zinc/57/93/39/642579339.db2.gz RXLCHLYTTCMNKB-UPJWGTAASA-N 2 0 264.373 0.479 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834504720 642592360 /nfs/dbraw/zinc/59/23/60/642592360.db2.gz DTHZOQYCXCBQAB-YPMHNXCESA-N 2 0 262.357 0.089 20 30 CCEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016968550 650775000 /nfs/dbraw/zinc/77/50/00/650775000.db2.gz GJMSVZQDUPRQTJ-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000841849824 642843447 /nfs/dbraw/zinc/84/34/47/642843447.db2.gz LXNNTKYZHSWSHH-ADEWGFFLSA-N 2 0 278.743 0.568 20 30 CCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194194 643178223 /nfs/dbraw/zinc/17/82/23/643178223.db2.gz BEUHNAUCRYXFRU-KXNHARMFSA-N 2 0 250.346 0.087 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)N1 ZINC000848983551 643691734 /nfs/dbraw/zinc/69/17/34/643691734.db2.gz KGWURWSFMDZHRR-WOPDTQHZSA-N 2 0 254.378 0.423 20 30 CCEDRP C=CC[C@@H](CO)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849016185 643700759 /nfs/dbraw/zinc/70/07/59/643700759.db2.gz RNAMFSRBDCWLGO-CHWSQXEVSA-N 2 0 268.405 0.769 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852798371 644002949 /nfs/dbraw/zinc/00/29/49/644002949.db2.gz JHXWLCCLANMIIH-GXTWGEPZSA-N 2 0 263.385 0.575 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852828510 644014024 /nfs/dbraw/zinc/01/40/24/644014024.db2.gz YGXWLFLDIULZHO-BNOWGMLFSA-N 2 0 270.336 0.449 20 30 CCEDRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852893140 644046306 /nfs/dbraw/zinc/04/63/06/644046306.db2.gz RIKARTQIPZVFQX-OAHLLOKOSA-N 2 0 283.375 0.906 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020162006 651045355 /nfs/dbraw/zinc/04/53/55/651045355.db2.gz WRWAAMVLTZLUCJ-MGPQQGTHSA-N 2 0 261.369 0.198 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[C@H]1[NH3+] ZINC000876532347 646621507 /nfs/dbraw/zinc/62/15/07/646621507.db2.gz FDLNKMSOZRNBJD-HFBAOOFYSA-N 2 0 298.390 0.941 20 30 CCEDRP C[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876835953 646677883 /nfs/dbraw/zinc/67/78/83/646677883.db2.gz HWNIXJCJGHDHSQ-NOZJJQNGSA-N 2 0 258.325 0.208 20 30 CCEDRP C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H](C)[NH3+] ZINC000876860995 646683831 /nfs/dbraw/zinc/68/38/31/646683831.db2.gz OVYYLBYSPCXXHC-IMSIIYSGSA-N 2 0 272.352 0.597 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168798 646745354 /nfs/dbraw/zinc/74/53/54/646745354.db2.gz UJLFJYHKUKZNGJ-KCQAQPDRSA-N 2 0 282.347 0.318 20 30 CCEDRP [NH3+]CC1(NC(=O)C#CC2CC[NH2+]CC2)CCCCC1 ZINC000877205406 646756676 /nfs/dbraw/zinc/75/66/76/646756676.db2.gz HAJWMENABRAFER-UHFFFAOYSA-N 2 0 263.385 0.767 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000877252123 646768759 /nfs/dbraw/zinc/76/87/59/646768759.db2.gz ZYJAIOCIIVZWIZ-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386160 646807709 /nfs/dbraw/zinc/80/77/09/646807709.db2.gz GPIHPEBXGMODJP-DZGCQCFKSA-N 2 0 261.369 0.390 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387736 646808880 /nfs/dbraw/zinc/80/88/80/646808880.db2.gz QNJJUCBZWPRNFA-DMDPSCGWSA-N 2 0 250.346 0.408 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H]1C[NH3+] ZINC000884035209 647620758 /nfs/dbraw/zinc/62/07/58/647620758.db2.gz USYLWGHRGLNSEI-JCLLTIBYSA-N 2 0 290.411 0.712 20 30 CCEDRP C[C@H](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+](C)C ZINC000884401466 647728621 /nfs/dbraw/zinc/72/86/21/647728621.db2.gz QQWXWOABLULVKU-KLNSDEMFSA-N 2 0 278.400 0.582 20 30 CCEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001006399445 647903210 /nfs/dbraw/zinc/90/32/10/647903210.db2.gz KQUHYGLZEZHIIX-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006410400 647990059 /nfs/dbraw/zinc/99/00/59/647990059.db2.gz KBLVYNZNTQWOGR-CYBMUJFWSA-N 2 0 263.385 0.494 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303863608 649825867 /nfs/dbraw/zinc/82/58/67/649825867.db2.gz AHAOEZCNXJVLTH-CYBMUJFWSA-N 2 0 283.464 0.963 20 30 CCEDRP CN1CC[NH+](CCCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000303891344 649826470 /nfs/dbraw/zinc/82/64/70/649826470.db2.gz NBFPLILOZLVZOZ-UHFFFAOYSA-N 2 0 281.448 0.718 20 30 CCEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)N1CC[NH+](C)CC1 ZINC000303973032 649827554 /nfs/dbraw/zinc/82/75/54/649827554.db2.gz GJYFDCNDHMRPRE-NSHDSACASA-N 2 0 255.410 0.325 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000304762895 649838784 /nfs/dbraw/zinc/83/87/84/649838784.db2.gz WDWQHPYHAPTELU-NEPJUHHUSA-N 2 0 256.394 0.800 20 30 CCEDRP COCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305021535 649840788 /nfs/dbraw/zinc/84/07/88/649840788.db2.gz NZSLOTKHUWPHMX-LBPRGKRZSA-N 2 0 256.394 0.515 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001149253571 791100270 /nfs/dbraw/zinc/10/02/70/791100270.db2.gz JTTTZHUTIVXVCH-AWEZNQCLSA-N 2 0 251.374 0.754 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001266944960 791381805 /nfs/dbraw/zinc/38/18/05/791381805.db2.gz WDELGMSCGKIEDK-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267041421 791474026 /nfs/dbraw/zinc/47/40/26/791474026.db2.gz NNCAJHQYOGIFKK-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267114355 791555261 /nfs/dbraw/zinc/55/52/61/791555261.db2.gz DBGVJDQJCJXOPC-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267256055 793254550 /nfs/dbraw/zinc/25/45/50/793254550.db2.gz WYPDCVACNQIQQD-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC001121904168 799089761 /nfs/dbraw/zinc/08/97/61/799089761.db2.gz UIZSXILVDJDHFI-AWEZNQCLSA-N 2 0 277.343 0.767 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1CC[NH3+] ZINC001122233690 799175095 /nfs/dbraw/zinc/17/50/95/799175095.db2.gz SHNMMLAWKMKDPV-IJLUTSLNSA-N 2 0 252.362 0.451 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC2CCC2)CC1 ZINC001152330497 800510701 /nfs/dbraw/zinc/51/07/01/800510701.db2.gz PWKOJZYNLHRXQY-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033853 800709139 /nfs/dbraw/zinc/70/91/39/800709139.db2.gz PARVTXHTQJZMMP-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155282962 800947707 /nfs/dbraw/zinc/94/77/07/800947707.db2.gz DXFLCJBZGRSMLV-OLZOCXBDSA-N 2 0 253.390 0.786 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158275228 801611959 /nfs/dbraw/zinc/61/19/59/801611959.db2.gz PQUVRMAPSLSDOU-UHFFFAOYSA-N 2 0 279.388 0.340 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158337150 801622602 /nfs/dbraw/zinc/62/26/02/801622602.db2.gz FYECVRHNUPTDSN-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](C#N)C1 ZINC001160640597 801985634 /nfs/dbraw/zinc/98/56/34/801985634.db2.gz IIACIWRXZWQGSK-RYUDHWBXSA-N 2 0 252.362 0.466 20 30 CCEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001161140441 802099206 /nfs/dbraw/zinc/09/92/06/802099206.db2.gz GKLSKLLXAVCSAR-DCAQKATOSA-N 2 0 256.325 0.295 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163822248 802618875 /nfs/dbraw/zinc/61/88/75/802618875.db2.gz WSBQDJWPRMZQFP-ZDUSSCGKSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001164578733 802768419 /nfs/dbraw/zinc/76/84/19/802768419.db2.gz PDGQHHNXXNAUNA-ZIAGYGMSSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220571668 811737867 /nfs/dbraw/zinc/73/78/67/811737867.db2.gz WYFZUXLBEQUEBY-SUNKGSAMSA-N 2 0 283.372 0.067 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010876 802880201 /nfs/dbraw/zinc/88/02/01/802880201.db2.gz SWDMJKVUKNGCRN-CQSZACIVSA-N 2 0 285.432 0.871 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001166425050 802905836 /nfs/dbraw/zinc/90/58/36/802905836.db2.gz NJAXAJSMKUJAEK-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166692411 802940193 /nfs/dbraw/zinc/94/01/93/802940193.db2.gz PHUZAWYONXUBLB-OLZOCXBDSA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001276421728 803046050 /nfs/dbraw/zinc/04/60/50/803046050.db2.gz MLOXHKUTHZHWOU-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001205334435 803135819 /nfs/dbraw/zinc/13/58/19/803135819.db2.gz MCLLIDUVQYLXHS-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668859 803621650 /nfs/dbraw/zinc/62/16/50/803621650.db2.gz IXYMZLURAGOYDC-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210483006 803651381 /nfs/dbraw/zinc/65/13/81/803651381.db2.gz UIHHIFQOJRJMBX-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705138 804089946 /nfs/dbraw/zinc/08/99/46/804089946.db2.gz JKKCYLSFLRIVSR-HNNXBMFYSA-N 2 0 295.346 0.920 20 30 CCEDRP N#Cc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)ccc1O ZINC001218954369 804165791 /nfs/dbraw/zinc/16/57/91/804165791.db2.gz LKOIHTOUJMDRTH-CYBMUJFWSA-N 2 0 274.324 0.529 20 30 CCEDRP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582793 804629998 /nfs/dbraw/zinc/62/99/98/804629998.db2.gz DVHFLGZDNDJSFD-ZNMIVQPWSA-N 2 0 297.443 0.844 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221292095 804768482 /nfs/dbraw/zinc/76/84/82/804768482.db2.gz FOSBBEHGPJACRH-BPLDGKMQSA-N 2 0 278.400 0.630 20 30 CCEDRP N#CC1(NC(=O)[C@H]([NH3+])CCC[NH3+])Cc2ccccc2C1 ZINC001221368349 804789634 /nfs/dbraw/zinc/78/96/34/804789634.db2.gz WIVCHDWJGODPAF-CYBMUJFWSA-N 2 0 272.352 0.230 20 30 CCEDRP C#CC[C@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CCC[NH2+]1 ZINC001221408025 804808466 /nfs/dbraw/zinc/80/84/66/804808466.db2.gz GCIVVSDHCZCXKV-GDBMZVCRSA-N 2 0 275.396 0.636 20 30 CCEDRP CC#CCN1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276910314 804984179 /nfs/dbraw/zinc/98/41/79/804984179.db2.gz YHNGIYFLQIUREE-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224338481 805028852 /nfs/dbraw/zinc/02/88/52/805028852.db2.gz USWLGEIDKFRMKJ-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001278368750 807041349 /nfs/dbraw/zinc/04/13/49/807041349.db2.gz GRWMZKKYSQMTDK-GOEBONIOSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229682409 805546810 /nfs/dbraw/zinc/54/68/10/805546810.db2.gz BNNNIDIPPVLZLT-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP C=C[C@](C)(O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245988823 807108589 /nfs/dbraw/zinc/10/85/89/807108589.db2.gz WWACKAHIWGPGPE-STQMWFEESA-N 2 0 253.390 0.387 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246095795 807151470 /nfs/dbraw/zinc/15/14/70/807151470.db2.gz IGZFWTKGLHJCAN-AWEZNQCLSA-N 2 0 256.353 0.742 20 30 CCEDRP [NH2+]=C(N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccc(Cl)cn1 ZINC001246216359 807190602 /nfs/dbraw/zinc/19/06/02/807190602.db2.gz YFOFAOHQWPCKQY-SNVBAGLBSA-N 2 0 279.775 0.534 20 30 CCEDRP N#Cc1ccccc1OCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246325548 807221944 /nfs/dbraw/zinc/22/19/44/807221944.db2.gz BWSYPOCHHUGGIK-AWEZNQCLSA-N 2 0 286.379 0.621 20 30 CCEDRP C[C@@H]1CC[N@@H+]([C@H]2CCN[C@H](C#N)C2)CC[C@H]1C[NH3+] ZINC001246558634 807287966 /nfs/dbraw/zinc/28/79/66/807287966.db2.gz NOKGMNSBYCRBPL-RFGFWPKPSA-N 2 0 250.390 0.937 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278614498 807622405 /nfs/dbraw/zinc/62/24/05/807622405.db2.gz XTRSKTYRXFHWLR-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001251821811 807710266 /nfs/dbraw/zinc/71/02/66/807710266.db2.gz YBMAQUKXCINYSN-HNNXBMFYSA-N 2 0 275.352 0.214 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C(C)C)CC1 ZINC001251885262 807733803 /nfs/dbraw/zinc/73/38/03/807733803.db2.gz RACVHUYSNUZWLP-HNNXBMFYSA-N 2 0 268.401 0.707 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001251891467 807737251 /nfs/dbraw/zinc/73/72/51/807737251.db2.gz TVYGKVVAKXBSQW-HNNXBMFYSA-N 2 0 268.401 0.853 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCCC1CC[NH+](C)CC1 ZINC001251896167 807739872 /nfs/dbraw/zinc/73/98/72/807739872.db2.gz BZQFDTBSSHUDKD-OAHLLOKOSA-N 2 0 268.401 0.709 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001252454335 807870716 /nfs/dbraw/zinc/87/07/16/807870716.db2.gz PEDIALXOXUWOJF-INIZCTEOSA-N 2 0 299.459 0.509 20 30 CCEDRP C=C(C)C(=O)NCCC[NH2+]C[C@H](O)C[NH+](CC)CC ZINC001253206530 808031598 /nfs/dbraw/zinc/03/15/98/808031598.db2.gz OVEXVNMGXBFGOE-ZDUSSCGKSA-N 2 0 271.405 0.361 20 30 CCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001265266618 809735682 /nfs/dbraw/zinc/73/56/82/809735682.db2.gz UXUMWFOSHCAKHX-UHFFFAOYSA-N 2 0 294.443 0.392 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001265331484 809758456 /nfs/dbraw/zinc/75/84/56/809758456.db2.gz BAHFRNJVPOBGTN-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001076604527 815319163 /nfs/dbraw/zinc/31/91/63/815319163.db2.gz KIJKGFSQTNPCKU-DLBZAZTESA-N 2 0 299.418 0.498 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265624697 809816370 /nfs/dbraw/zinc/81/63/70/809816370.db2.gz XOEUCRKMJGPFON-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001279114530 809969536 /nfs/dbraw/zinc/96/95/36/809969536.db2.gz SARSUFQNHORKHS-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302091 811121107 /nfs/dbraw/zinc/12/11/07/811121107.db2.gz LUMGORJYADFDFO-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267483711 811368066 /nfs/dbraw/zinc/36/80/66/811368066.db2.gz CQPMTZZRTTVDNH-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001219314474 811674307 /nfs/dbraw/zinc/67/43/07/811674307.db2.gz JTXPYWFMSMKQFN-VIFPVBQESA-N 2 0 268.267 0.841 20 30 CCEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220125082 811715845 /nfs/dbraw/zinc/71/58/45/811715845.db2.gz XLMYONFHERZWGK-LBPRGKRZSA-N 2 0 285.388 0.281 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267805323 811799710 /nfs/dbraw/zinc/79/97/10/811799710.db2.gz OZWSPOKALKMQJB-UONOGXRCSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886843 812118531 /nfs/dbraw/zinc/11/85/31/812118531.db2.gz YPKQAKBWELMILV-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027894259 812125990 /nfs/dbraw/zinc/12/59/90/812125990.db2.gz LKMBUWVJSISBBT-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1CC#C ZINC001027944526 812156862 /nfs/dbraw/zinc/15/68/62/812156862.db2.gz ZCKQZASUUGGJKN-CVEARBPZSA-N 2 0 287.407 0.688 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268099735 812258270 /nfs/dbraw/zinc/25/82/70/812258270.db2.gz HPCSDQKTUPMAPP-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001268216553 812369359 /nfs/dbraw/zinc/36/93/59/812369359.db2.gz LSFLYXGRIKMAIC-CQSZACIVSA-N 2 0 265.401 0.692 20 30 CCEDRP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001268256820 812423734 /nfs/dbraw/zinc/42/37/34/812423734.db2.gz LRDNWPGUIBANHH-ZDUSSCGKSA-N 2 0 253.390 0.904 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001268867280 813124716 /nfs/dbraw/zinc/12/47/16/813124716.db2.gz KKAJDYBNDBSQCA-UHFFFAOYSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001268958553 813158835 /nfs/dbraw/zinc/15/88/35/813158835.db2.gz LYSJWDQNEJHLDE-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269522227 813402367 /nfs/dbraw/zinc/40/23/67/813402367.db2.gz LIZSCBCRSZOEKE-ZDUSSCGKSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758353 813446183 /nfs/dbraw/zinc/44/61/83/813446183.db2.gz QWLVATUQNJRPLS-CABCVRRESA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028758524 813448006 /nfs/dbraw/zinc/44/80/06/813448006.db2.gz QWLVATUQNJRPLS-LSDHHAIUSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001269958526 813567412 /nfs/dbraw/zinc/56/74/12/813567412.db2.gz GSPBHNNNBYWWDW-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270050149 813600892 /nfs/dbraw/zinc/60/08/92/813600892.db2.gz JMTCMHSVWPBFTF-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271206791 814334257 /nfs/dbraw/zinc/33/42/57/814334257.db2.gz HTPDEDCSLSGZFD-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199490 814443976 /nfs/dbraw/zinc/44/39/76/814443976.db2.gz QFMIYPXIPUKLCN-ILXRZTDVSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105941585 816017461 /nfs/dbraw/zinc/01/74/61/816017461.db2.gz CSSLRRORYVVXQT-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001121931744 816486775 /nfs/dbraw/zinc/48/67/75/816486775.db2.gz ROBBYELPWJZWIE-IJLUTSLNSA-N 2 0 250.346 0.087 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001272568534 816589166 /nfs/dbraw/zinc/58/91/66/816589166.db2.gz XWDQXLLBDMLICZ-QWHCGFSZSA-N 2 0 271.405 0.215 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001106308833 816734883 /nfs/dbraw/zinc/73/48/83/816734883.db2.gz CRMCSJVIMVPVSL-MGPQQGTHSA-N 2 0 265.401 0.644 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031774193 817356528 /nfs/dbraw/zinc/35/65/28/817356528.db2.gz RMAWAMXPBSXABT-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984541 817572496 /nfs/dbraw/zinc/57/24/96/817572496.db2.gz SIEIHHDRAIECFX-ZIAGYGMSSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130930 817657857 /nfs/dbraw/zinc/65/78/57/817657857.db2.gz AHXYHYBVBBSDGQ-UHFFFAOYSA-N 2 0 263.385 0.706 20 30 CCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114998229 817865030 /nfs/dbraw/zinc/86/50/30/817865030.db2.gz QAUUVTVYNITRQF-FOLVSLTJSA-N 2 0 295.427 0.577 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001032827224 818125628 /nfs/dbraw/zinc/12/56/28/818125628.db2.gz NECMYVTUCRFTLH-KKUMJFAQSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CCN1CC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426011 818773593 /nfs/dbraw/zinc/77/35/93/818773593.db2.gz MUNZICWHFKLBLK-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215325 819128299 /nfs/dbraw/zinc/12/82/99/819128299.db2.gz XWVXLGAWCMCHBM-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738465 819318041 /nfs/dbraw/zinc/31/80/41/819318041.db2.gz SYUPYJATWKXKGJ-ZQDZILKHSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035733730 819617967 /nfs/dbraw/zinc/61/79/67/819617967.db2.gz XXSOGHBADDCYQA-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035794210 819625667 /nfs/dbraw/zinc/62/56/67/819625667.db2.gz ANCCXZIBWMYFNM-CABCVRRESA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442588 820577615 /nfs/dbraw/zinc/57/76/15/820577615.db2.gz GIPXGAKSLKGTGD-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081691585 820819305 /nfs/dbraw/zinc/81/93/05/820819305.db2.gz FAUTXEJZZTWLLN-KBUPBQIOSA-N 2 0 295.427 0.718 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134071 820906147 /nfs/dbraw/zinc/90/61/47/820906147.db2.gz ZGYRKZMGGJWMFG-RBSFLKMASA-N 2 0 295.427 0.862 20 30 CCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023776 821112836 /nfs/dbraw/zinc/11/28/36/821112836.db2.gz OSQPSICFYNKWDY-QLFBSQMISA-N 2 0 293.411 0.568 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084231418 821245982 /nfs/dbraw/zinc/24/59/82/821245982.db2.gz ABWKWUIPDMRNRJ-QLFBSQMISA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001084970142 821445449 /nfs/dbraw/zinc/44/54/49/821445449.db2.gz QEEFNBDIDLOTMA-KFWWJZLASA-N 2 0 277.412 0.883 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001273343110 821766023 /nfs/dbraw/zinc/76/60/23/821766023.db2.gz UEEVLVQPEPQZMR-CQSZACIVSA-N 2 0 293.411 0.475 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086090521 822110040 /nfs/dbraw/zinc/11/00/40/822110040.db2.gz CRRYQMXBRGKJGV-YIYPIFLZSA-N 2 0 265.401 0.997 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648656 844055546 /nfs/dbraw/zinc/05/55/46/844055546.db2.gz XOLQETTXUYIYEJ-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCC[NH+](C)C)C2 ZINC001108749582 836521539 /nfs/dbraw/zinc/52/15/39/836521539.db2.gz FNWQCAXKZQULGM-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832157 836536763 /nfs/dbraw/zinc/53/67/63/836536763.db2.gz OHHRFTSERBKUIQ-KKUMJFAQSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578557 836798829 /nfs/dbraw/zinc/79/88/29/836798829.db2.gz USYYJKRDGDGNCV-ZOBUZTSGSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001086558841 836919073 /nfs/dbraw/zinc/91/90/73/836919073.db2.gz WFTFCUUUMHOOQF-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283624 838350010 /nfs/dbraw/zinc/35/00/10/838350010.db2.gz AAFGQFZRKQLJGO-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690583 838697091 /nfs/dbraw/zinc/69/70/91/838697091.db2.gz PMFCBTOMPYTMFH-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133845891 838745118 /nfs/dbraw/zinc/74/51/18/838745118.db2.gz PMHYOEIYPZVSRC-ZDUSSCGKSA-N 2 0 269.389 0.237 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446054 844414144 /nfs/dbraw/zinc/41/41/44/844414144.db2.gz ISJYFBCFKKFNAI-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869166 839613705 /nfs/dbraw/zinc/61/37/05/839613705.db2.gz UMDWJAJAKBVKGR-OAHLLOKOSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574771 839652656 /nfs/dbraw/zinc/65/26/56/839652656.db2.gz WZCYGSCXHXSYOX-KBPBESRZSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730095 839760977 /nfs/dbraw/zinc/76/09/77/839760977.db2.gz FWZCNRDPXAFMHJ-UONOGXRCSA-N 2 0 293.411 0.210 20 30 CCEDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001187298762 844700704 /nfs/dbraw/zinc/70/07/04/844700704.db2.gz NYIFLTUDOYGULQ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[C@]1(C(=O)N(C)[C@H]2CCCC[C@@H]2[NH3+])CCC[NH2+]1 ZINC001161065601 840692221 /nfs/dbraw/zinc/69/22/21/840692221.db2.gz YAEQCJOUFBUKEG-KCQAQPDRSA-N 2 0 263.385 0.860 20 30 CCEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171576163 841736317 /nfs/dbraw/zinc/73/63/17/841736317.db2.gz RDEZWKQTHYSMAY-UHFFFAOYSA-N 2 0 298.431 0.116 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161439 842336479 /nfs/dbraw/zinc/33/64/79/842336479.db2.gz PXMAFRWYIXVIGO-CQSZACIVSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930588 842454180 /nfs/dbraw/zinc/45/41/80/842454180.db2.gz MSHXQYIMHRKKSD-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360106 842831276 /nfs/dbraw/zinc/83/12/76/842831276.db2.gz LBEFAHNGWQJMIC-IHRRRGAJSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715785 842910800 /nfs/dbraw/zinc/91/08/00/842910800.db2.gz HZAVMTVUXSPSQL-IMJJTQAJSA-N 2 0 289.423 0.931 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC000691601546 842938298 /nfs/dbraw/zinc/93/82/98/842938298.db2.gz HUXIKIBYUHKUCK-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC000691601544 842938799 /nfs/dbraw/zinc/93/87/99/842938799.db2.gz HUXIKIBYUHKUCK-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CN1CCN(C)CC1 ZINC001178956425 842948164 /nfs/dbraw/zinc/94/81/64/842948164.db2.gz SBIXJNOWTFNEPP-AWEZNQCLSA-N 2 0 280.416 0.000 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359442 843005793 /nfs/dbraw/zinc/00/57/93/843005793.db2.gz SFJYTQXOXHHYAQ-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554160 843019018 /nfs/dbraw/zinc/01/90/18/843019018.db2.gz SDLOATXFDYXZBH-IHRRRGAJSA-N 2 0 265.401 0.929 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131846 843103741 /nfs/dbraw/zinc/10/37/41/843103741.db2.gz OEEXZWNQKYTJPE-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182973962 843952536 /nfs/dbraw/zinc/95/25/36/843952536.db2.gz VLGDUKIYIIOZPF-KGLIPLIRSA-N 2 0 283.391 0.880 20 30 CCEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107087 844645792 /nfs/dbraw/zinc/64/57/92/844645792.db2.gz UMPSNVJZWFEDJI-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3)[C@@H]2C1 ZINC001190459247 845408258 /nfs/dbraw/zinc/40/82/58/845408258.db2.gz ZHRKUSUXLNZODZ-LSDHHAIUSA-N 2 0 286.379 0.829 20 30 CCEDRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001192386863 845835686 /nfs/dbraw/zinc/83/56/86/845835686.db2.gz SGYHUDBMSVTKFS-GJZGRUSLSA-N 2 0 295.427 0.509 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002290 846203372 /nfs/dbraw/zinc/20/33/72/846203372.db2.gz QSXPFAIFBRUMCC-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001273753208 846967025 /nfs/dbraw/zinc/96/70/25/846967025.db2.gz SFKUFMJPMGKPFA-OAHLLOKOSA-N 2 0 297.443 0.969 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536897 847645874 /nfs/dbraw/zinc/64/58/74/847645874.db2.gz IQPKORFMQWLGPH-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200696909 847680690 /nfs/dbraw/zinc/68/06/90/847680690.db2.gz WRBWLPDXSSVKMA-OAHLLOKOSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688543 847680796 /nfs/dbraw/zinc/68/07/96/847680796.db2.gz RYAQOOFGBIRNGM-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273881154 847723294 /nfs/dbraw/zinc/72/32/94/847723294.db2.gz KDXMHNQJQJPHGL-KGLIPLIRSA-N 2 0 295.427 0.313 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201430774 847779898 /nfs/dbraw/zinc/77/98/98/847779898.db2.gz RQOOXRDZCYWFOO-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201932410 847828848 /nfs/dbraw/zinc/82/88/48/847828848.db2.gz YLADTEKZUVRDHZ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+](C)C1CC1 ZINC000884210828 848212416 /nfs/dbraw/zinc/21/24/16/848212416.db2.gz KVTGKFXXHPHJAS-ISGSLZAZSA-N 2 0 290.411 0.725 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274732190 848554067 /nfs/dbraw/zinc/55/40/67/848554067.db2.gz XDDWMOWUAZDCCN-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274964325 848601745 /nfs/dbraw/zinc/60/17/45/848601745.db2.gz IRFJWNQKJARNBL-GJZGRUSLSA-N 2 0 267.417 0.899 20 30 CCEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001276333441 849426586 /nfs/dbraw/zinc/42/65/86/849426586.db2.gz SNNAJBCRDTZQTM-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001253580891 849549416 /nfs/dbraw/zinc/54/94/16/849549416.db2.gz AKTIFIBJBPPGOL-CQSZACIVSA-N 2 0 253.390 0.247 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC ZINC001037956252 849612146 /nfs/dbraw/zinc/61/21/46/849612146.db2.gz CBCFSYYBULHFPC-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001044822689 851165673 /nfs/dbraw/zinc/16/56/73/851165673.db2.gz MJGGNTIUKONWGF-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048817531 852072976 /nfs/dbraw/zinc/07/29/76/852072976.db2.gz OQLKJLAXTBJMMY-XHSDSOJGSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059707 852152930 /nfs/dbraw/zinc/15/29/30/852152930.db2.gz DRQXALVHAWPUGY-KBXIAJHMSA-N 2 0 275.396 0.208 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049172608 852182623 /nfs/dbraw/zinc/18/26/23/852182623.db2.gz YSATVBYQNNAKTP-KFWWJZLASA-N 2 0 277.412 0.904 20 30 CCEDRP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096543277 852303934 /nfs/dbraw/zinc/30/39/34/852303934.db2.gz NLFYSDRKCSUXFG-CRWXNKLISA-N 2 0 263.385 0.846 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052865615 852663422 /nfs/dbraw/zinc/66/34/22/852663422.db2.gz QDLZARCKAVQXCO-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001072851511 854480529 /nfs/dbraw/zinc/48/05/29/854480529.db2.gz YSGGMHKYZBHSKG-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073553872 854593681 /nfs/dbraw/zinc/59/36/81/854593681.db2.gz AXBLZVBKOXZOAE-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969582 855056477 /nfs/dbraw/zinc/05/64/77/855056477.db2.gz KSUZSQXQARWFBA-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083105 855097585 /nfs/dbraw/zinc/09/75/85/855097585.db2.gz NGERIRQMMUASHM-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102070583 855413097 /nfs/dbraw/zinc/41/30/97/855413097.db2.gz OKNAIAABLJFCCQ-KFWWJZLASA-N 2 0 279.428 0.890 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115149595 855647170 /nfs/dbraw/zinc/64/71/70/855647170.db2.gz BYGWLWQJLRSTTR-IMRBUKKESA-N 2 0 251.374 0.561 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001118199062 856197282 /nfs/dbraw/zinc/19/72/82/856197282.db2.gz AHFUDPXPPMAFRB-QWRGUYRKSA-N 2 0 250.346 0.266 20 30 CCEDRP C#CC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001323832237 912536185 /nfs/dbraw/zinc/53/61/85/912536185.db2.gz MFYZJQXAASCGLL-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC)CC1 ZINC001324420465 912837062 /nfs/dbraw/zinc/83/70/62/912837062.db2.gz UFEKEKYFBJVNLH-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001325029277 913159423 /nfs/dbraw/zinc/15/94/23/913159423.db2.gz SOHVGHCMRAAHOH-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481066978 892126112 /nfs/dbraw/zinc/12/61/12/892126112.db2.gz YNWQFTAWKUKCAK-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481070097 892129187 /nfs/dbraw/zinc/12/91/87/892129187.db2.gz MKTVTWYPAQNXAE-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP C=CCC[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481314944 892566545 /nfs/dbraw/zinc/56/65/45/892566545.db2.gz NQNCYGQWKAPGSM-CQSZACIVSA-N 2 0 283.416 0.579 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001342960317 892860000 /nfs/dbraw/zinc/86/00/00/892860000.db2.gz MPSHHLJBRBOUTP-SGMGOOAPSA-N 2 0 264.373 0.737 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282186114 892954877 /nfs/dbraw/zinc/95/48/77/892954877.db2.gz SCXYSQBAXKPWKV-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481980420 893297577 /nfs/dbraw/zinc/29/75/77/893297577.db2.gz ZUBFRZCETNZWIZ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482056076 893339828 /nfs/dbraw/zinc/33/98/28/893339828.db2.gz WDZIVTMWKPOKEV-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001503116888 894189638 /nfs/dbraw/zinc/18/96/38/894189638.db2.gz ABUXMGKVIQOKGK-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)CC[N@@H+](C)CC ZINC001483502369 895616293 /nfs/dbraw/zinc/61/62/93/895616293.db2.gz UAPXRRDRTTYABG-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001483791614 896053559 /nfs/dbraw/zinc/05/35/59/896053559.db2.gz YVDGESRFSWVTPY-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484355028 896352690 /nfs/dbraw/zinc/35/26/90/896352690.db2.gz NVWOGWQSGSHEGX-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484450609 896410551 /nfs/dbraw/zinc/41/05/51/896410551.db2.gz UBQIPIIVQCOTKR-HIFRSBDPSA-N 2 0 281.400 0.067 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484684345 896540816 /nfs/dbraw/zinc/54/08/16/896540816.db2.gz DDJOANHGJTXBJT-CYBMUJFWSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687466 896543574 /nfs/dbraw/zinc/54/35/74/896543574.db2.gz KHUQYYNCUYQAMH-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001485077572 896756760 /nfs/dbraw/zinc/75/67/60/896756760.db2.gz OUFYQLVDLFGGIO-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001485109389 896786071 /nfs/dbraw/zinc/78/60/71/896786071.db2.gz YYPWEWQNLUGTPR-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001326798420 914183671 /nfs/dbraw/zinc/18/36/71/914183671.db2.gz NTGOEFJPEWEINW-CQSZACIVSA-N 2 0 293.411 0.359 20 30 CCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485854796 898463534 /nfs/dbraw/zinc/46/35/34/898463534.db2.gz GYNVHLYXHIKCMY-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485943721 898529322 /nfs/dbraw/zinc/52/93/22/898529322.db2.gz CSUSNYRIVXLLGQ-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001486316645 898776967 /nfs/dbraw/zinc/77/69/67/898776967.db2.gz FZIXWHYCMXMSIM-OAHLLOKOSA-N 2 0 295.427 0.295 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486312382 898789346 /nfs/dbraw/zinc/78/93/46/898789346.db2.gz YLMPGXGYLULJLV-HUUCEWRRSA-N 2 0 297.443 0.703 20 30 CCEDRP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCOC ZINC001486428768 898869446 /nfs/dbraw/zinc/86/94/46/898869446.db2.gz RVLCIDCLMBZZRW-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001489169284 900435305 /nfs/dbraw/zinc/43/53/05/900435305.db2.gz RDYWBQPVYOSGHQ-OAHLLOKOSA-N 2 0 295.427 0.247 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001297377910 901419753 /nfs/dbraw/zinc/41/97/53/901419753.db2.gz CYGKPAOTCUFZFN-OAHLLOKOSA-N 2 0 297.443 0.921 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491055193 903314339 /nfs/dbraw/zinc/31/43/39/903314339.db2.gz MLHFVIFNWVPVCM-XQQFMLRXSA-N 2 0 251.374 0.587 20 30 CCEDRP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491546278 903671894 /nfs/dbraw/zinc/67/18/94/903671894.db2.gz CMKDZCUYZJOHQO-GHMZBOCLSA-N 2 0 259.781 0.927 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064164 903832089 /nfs/dbraw/zinc/83/20/89/903832089.db2.gz JIUOSLONNZWFGR-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001284004517 905114048 /nfs/dbraw/zinc/11/40/48/905114048.db2.gz SIIQGJRKGQIFKW-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284246138 905217527 /nfs/dbraw/zinc/21/75/27/905217527.db2.gz NQLKZEHWLMGEJW-KBPBESRZSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001284438231 905296843 /nfs/dbraw/zinc/29/68/43/905296843.db2.gz GXXAVHPIRAGOCA-AWEZNQCLSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001284876257 905440695 /nfs/dbraw/zinc/44/06/95/905440695.db2.gz RBLUJZFONPCCCF-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C=CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001491675927 907531285 /nfs/dbraw/zinc/53/12/85/907531285.db2.gz XTQCFWCCDAGEQD-CHWSQXEVSA-N 2 0 269.389 0.235 20 30 CCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316749428 908677180 /nfs/dbraw/zinc/67/71/80/908677180.db2.gz UBMYWUOJSITOCO-HUUCEWRRSA-N 2 0 295.427 0.409 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001316967396 908883344 /nfs/dbraw/zinc/88/33/44/908883344.db2.gz CKFFLQSKYNMFDJ-UHFFFAOYSA-N 2 0 280.416 0.002 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC)CC1 ZINC001317295377 909122277 /nfs/dbraw/zinc/12/22/77/909122277.db2.gz XJXRIPUAQLRVKT-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317328140 909145164 /nfs/dbraw/zinc/14/51/64/909145164.db2.gz YIPRLXBBFOWHMN-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317411248 909184802 /nfs/dbraw/zinc/18/48/02/909184802.db2.gz DCYZEQHNIKBRIT-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317508255 909277635 /nfs/dbraw/zinc/27/76/35/909277635.db2.gz HOYCZACSSQBLCM-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317534322 909307948 /nfs/dbraw/zinc/30/79/48/909307948.db2.gz JTXAHUWKLBBIDX-HUUCEWRRSA-N 2 0 293.411 0.026 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317623627 909416929 /nfs/dbraw/zinc/41/69/29/909416929.db2.gz VZXFMMKGYXMXNJ-GJZGRUSLSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318483085 909773488 /nfs/dbraw/zinc/77/34/88/909773488.db2.gz OZBVLQRDTSAXQE-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001322353898 911772135 /nfs/dbraw/zinc/77/21/35/911772135.db2.gz IZAMMQVPSYPTGM-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001328672910 915350402 /nfs/dbraw/zinc/35/04/02/915350402.db2.gz UEVFIZNWYPVXSN-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001329592105 916042596 /nfs/dbraw/zinc/04/25/96/916042596.db2.gz LHWUALMELIZWFF-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001330297940 916536895 /nfs/dbraw/zinc/53/68/95/916536895.db2.gz ROGGNKFVGDTDQO-ZSOGYDGISA-N 2 0 277.412 0.951 20 30 CCEDRP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001330911639 916963556 /nfs/dbraw/zinc/96/35/56/916963556.db2.gz UNKPGVQVNTVLTK-IMJJTQAJSA-N 2 0 289.423 0.882 20 30 CCEDRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C12CCC2 ZINC001332419986 918140891 /nfs/dbraw/zinc/14/08/91/918140891.db2.gz IBXMUZCCEGRDIC-PPKRYTBKSA-N 2 0 290.367 0.372 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001332518807 918241472 /nfs/dbraw/zinc/24/14/72/918241472.db2.gz VNSCPDFFEHKQCE-QLFBSQMISA-N 2 0 297.443 0.702 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001332536957 918265271 /nfs/dbraw/zinc/26/52/71/918265271.db2.gz PJLPIXZPKMHWOB-GJZGRUSLSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332605752 918304683 /nfs/dbraw/zinc/30/46/83/918304683.db2.gz LIVTUGDFRCDSSB-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001333294040 918782476 /nfs/dbraw/zinc/78/24/76/918782476.db2.gz VLCAOTXSWNZAMF-LBPRGKRZSA-N 2 0 285.338 0.350 20 30 CCEDRP COCC#CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001334019968 919320629 /nfs/dbraw/zinc/32/06/29/919320629.db2.gz UVWHBGHGLOSMKF-HNNXBMFYSA-N 2 0 293.411 0.263 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC001336784818 921008245 /nfs/dbraw/zinc/00/82/45/921008245.db2.gz HWXLMNIJWUJVBV-GFCCVEGCSA-N 2 0 250.346 0.476 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC001340105018 921957817 /nfs/dbraw/zinc/95/78/17/921957817.db2.gz MKRZTHKSCXBTGL-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340297401 922043383 /nfs/dbraw/zinc/04/33/83/922043383.db2.gz MGVFKOPORLXKAA-KBPBESRZSA-N 2 0 280.416 0.176 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC001340931537 922283673 /nfs/dbraw/zinc/28/36/73/922283673.db2.gz RSSNVUHOQAVFJS-AWEZNQCLSA-N 2 0 257.337 0.212 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC001341769644 922663982 /nfs/dbraw/zinc/66/39/82/922663982.db2.gz YBPFZMUPOPKTAK-UHFFFAOYSA-N 2 0 259.353 0.587 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001342082795 922795481 /nfs/dbraw/zinc/79/54/81/922795481.db2.gz QWSXGTGFDPHQHF-QWHCGFSZSA-N 2 0 266.389 0.904 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001348793178 924804652 /nfs/dbraw/zinc/80/46/52/924804652.db2.gz IIKDWUZPFCOLJG-HIFRSBDPSA-N 2 0 292.427 0.141 20 30 CCEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001353289090 925785079 /nfs/dbraw/zinc/78/50/79/925785079.db2.gz WAVDZRDDYOLNBE-QWHCGFSZSA-N 2 0 251.374 0.973 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001353957479 925973832 /nfs/dbraw/zinc/97/38/32/925973832.db2.gz FIKGMDWBSMHGPV-MNOVXSKESA-N 2 0 270.402 0.219 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001355709360 926306576 /nfs/dbraw/zinc/30/65/76/926306576.db2.gz TWDIIKAPJYCSNL-MELADBBJSA-N 2 0 263.385 0.398 20 30 CCEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600747836 362054311 /nfs/dbraw/zinc/05/43/11/362054311.db2.gz LUCHGFPJFDQBNN-FRRDWIJNSA-N 2 0 251.374 0.971 20 30 CCEDRP C[NH+]1CCC2(CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC000602878067 362859503 /nfs/dbraw/zinc/85/95/03/362859503.db2.gz TWEXVJKYCVEKTL-UHFFFAOYSA-N 2 0 250.346 0.044 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)Cn1ccnc1 ZINC000296168250 353934572 /nfs/dbraw/zinc/93/45/72/353934572.db2.gz BGFNGIUUWIGSOQ-CYBMUJFWSA-N 2 0 277.372 0.526 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000363208694 357058661 /nfs/dbraw/zinc/05/86/61/357058661.db2.gz FCAKMKCHNKRBQK-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000573177546 358943890 /nfs/dbraw/zinc/94/38/90/358943890.db2.gz UUDJEPLKIQCZGM-KHMAMNHCSA-N 2 0 284.400 0.390 20 30 CCEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000591577088 359601497 /nfs/dbraw/zinc/60/14/97/359601497.db2.gz DUASFJUSJBDEJA-MRXNPFEDSA-N 2 0 298.390 0.957 20 30 CCEDRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435956 360303942 /nfs/dbraw/zinc/30/39/42/360303942.db2.gz BOTRFIXDGGRGTR-RYUDHWBXSA-N 2 0 254.378 0.854 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439603 360308375 /nfs/dbraw/zinc/30/83/75/360308375.db2.gz SOMUWASYTYZAIZ-BNOWGMLFSA-N 2 0 278.400 0.997 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)C[NH2+]1 ZINC000594439194 360308897 /nfs/dbraw/zinc/30/88/97/360308897.db2.gz PLWYPYAXKYBPFB-WOPDTQHZSA-N 2 0 252.362 0.606 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438849 360309162 /nfs/dbraw/zinc/30/91/62/360309162.db2.gz QABZZKPOKBTUOG-ZIAGYGMSSA-N 2 0 296.415 0.625 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594439667 360309208 /nfs/dbraw/zinc/30/92/08/360309208.db2.gz YKADELNMPGKJQY-YPMHNXCESA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000594441210 360310624 /nfs/dbraw/zinc/31/06/24/360310624.db2.gz OVLRWRMDFNKWGG-GFCCVEGCSA-N 2 0 252.362 0.610 20 30 CCEDRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594442422 360311931 /nfs/dbraw/zinc/31/19/31/360311931.db2.gz FVFKBMWCBXWLFH-ZDUSSCGKSA-N 2 0 266.389 0.950 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595942923 360718857 /nfs/dbraw/zinc/71/88/57/360718857.db2.gz FCCFBISGQJZBMK-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000598718516 361494726 /nfs/dbraw/zinc/49/47/26/361494726.db2.gz FRKLYMSVMMNFIW-CABCVRRESA-N 2 0 296.459 0.760 20 30 CCEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000598701548 361490155 /nfs/dbraw/zinc/49/01/55/361490155.db2.gz WVPJKQMYEXUDTA-AWEZNQCLSA-N 2 0 283.416 0.989 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000638729112 375324561 /nfs/dbraw/zinc/32/45/61/375324561.db2.gz YEOFNYSILZVQPD-GXTWGEPZSA-N 2 0 251.374 0.895 20 30 CCEDRP COCCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264106916 389307258 /nfs/dbraw/zinc/30/72/58/389307258.db2.gz PVUSNMKPMRNLQE-UHFFFAOYSA-N 2 0 264.373 0.799 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000417521633 389826251 /nfs/dbraw/zinc/82/62/51/389826251.db2.gz FTMWLSNSENWABH-CYBMUJFWSA-N 2 0 268.405 0.919 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390610 389996138 /nfs/dbraw/zinc/99/61/38/389996138.db2.gz ZLHPPZOCGOUKKB-CFVMTHIKSA-N 2 0 295.427 0.895 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CC[NH2+]C2CC2)CC1 ZINC000514799152 390469939 /nfs/dbraw/zinc/46/99/39/390469939.db2.gz SODRFDBXEYDOSK-UHFFFAOYSA-N 2 0 251.374 0.895 20 30 CCEDRP C[NH+]1CCC(C#N)(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000566018878 390568310 /nfs/dbraw/zinc/56/83/10/390568310.db2.gz RNRKPYCAGHCCCA-UHFFFAOYSA-N 2 0 278.400 0.822 20 30 CCEDRP C=C[C@@H](O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000646857259 390731353 /nfs/dbraw/zinc/73/13/53/390731353.db2.gz BBDZZYBBPBDCCV-CYBMUJFWSA-N 2 0 271.405 0.265 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000662785083 414793108 /nfs/dbraw/zinc/79/31/08/414793108.db2.gz YABUIMQVWPEURD-JOYOIKCWSA-N 2 0 261.316 0.783 20 30 CCEDRP CC#CCCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664703207 415451152 /nfs/dbraw/zinc/45/11/52/415451152.db2.gz BKQQNLVVWWWOFJ-UHFFFAOYSA-N 2 0 268.405 0.583 20 30 CCEDRP CNC(NCc1ccc(CNC(NC)=[NH+]C)cc1)=[NH+]C ZINC000164297830 261346827 /nfs/dbraw/zinc/34/68/27/261346827.db2.gz SJBRSMWIPIDGND-UHFFFAOYSA-N 2 0 276.388 0.276 20 30 CCEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000338970032 262575288 /nfs/dbraw/zinc/57/52/88/262575288.db2.gz MKNAWYDXYZLPES-KBPBESRZSA-N 2 0 251.374 0.973 20 30 CCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)Nc1ccccc1 ZINC000269467728 262970375 /nfs/dbraw/zinc/97/03/75/262970375.db2.gz JZBNIAQFGYNWSV-CYBMUJFWSA-N 2 0 259.357 0.413 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnn1 ZINC000278276940 263046537 /nfs/dbraw/zinc/04/65/37/263046537.db2.gz OSRGAURBFVMRSA-GFCCVEGCSA-N 2 0 262.361 0.365 20 30 CCEDRP C[NH+]1CCC(Oc2ccc(CNC(N)=[NH2+])cc2)CC1 ZINC000284042935 263085547 /nfs/dbraw/zinc/08/55/47/263085547.db2.gz OWICRSARMKXVSY-UHFFFAOYSA-N 2 0 262.357 0.933 20 30 CCEDRP OCC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1CCO ZINC000342127119 263390450 /nfs/dbraw/zinc/39/04/50/263390450.db2.gz LPTSJIAZIJMBLE-HZPDHXFCSA-N 2 0 280.412 0.683 20 30 CCEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632909 267027483 /nfs/dbraw/zinc/02/74/83/267027483.db2.gz GYAFATGXAYFRPQ-KBPBESRZSA-N 2 0 280.416 0.878 20 30 CCEDRP Cn1cncc1CCCN1CCN(C(=O)CC#N)CC1 ZINC000582494928 329100535 /nfs/dbraw/zinc/10/05/35/329100535.db2.gz PXMOHVURPRSLDN-UHFFFAOYSA-N 2 0 275.356 0.411 20 30 CCEDRP CSC1(CNC(=[NH2+])N2CCOCC2)CC[NH+](C)CC1 ZINC000262389820 330012197 /nfs/dbraw/zinc/01/21/97/330012197.db2.gz QXZMOYPWRBZXEF-UHFFFAOYSA-N 2 0 286.445 0.461 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC(C)(C)C ZINC000262737613 330029141 /nfs/dbraw/zinc/02/91/41/330029141.db2.gz AVMMFWHCZLGMRH-GFCCVEGCSA-N 2 0 267.421 0.340 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262756862 330029677 /nfs/dbraw/zinc/02/96/77/330029677.db2.gz BVSOENHAVJKGIW-AWEZNQCLSA-N 2 0 294.443 0.895 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC2(C)C)CCO1 ZINC000263078942 330042334 /nfs/dbraw/zinc/04/23/34/330042334.db2.gz HNXOBKZSZPZGQY-LBPRGKRZSA-N 2 0 268.405 0.896 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C)O1 ZINC000263151141 330046090 /nfs/dbraw/zinc/04/60/90/330046090.db2.gz PLYSKHVZDGHSTH-JHJVBQTASA-N 2 0 268.405 0.943 20 30 CCEDRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424133938 330266246 /nfs/dbraw/zinc/26/62/46/330266246.db2.gz MYHSGVYLJGHVTI-QWHCGFSZSA-N 2 0 266.389 0.950 20 30 CCEDRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424172851 330312881 /nfs/dbraw/zinc/31/28/81/330312881.db2.gz DOYQUIPAXLZXHF-UONOGXRCSA-N 2 0 296.415 0.577 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000424177843 330317696 /nfs/dbraw/zinc/31/76/96/330317696.db2.gz VCLJHNIYNGVZFA-AGIUHOORSA-N 2 0 264.373 0.560 20 30 CCEDRP C#CCN1CCN(C(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)CC1 ZINC000490761174 332113397 /nfs/dbraw/zinc/11/33/97/332113397.db2.gz RSCHUWIPXWIIIR-KBPBESRZSA-N 2 0 295.452 0.590 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH+](C)C)CCC2)CC1 ZINC000490972561 332134672 /nfs/dbraw/zinc/13/46/72/332134672.db2.gz GRFFDMCGTRBQBC-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000491203275 332165341 /nfs/dbraw/zinc/16/53/41/332165341.db2.gz USRZQWYWZHEQNQ-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000491220623 332168777 /nfs/dbraw/zinc/16/87/77/332168777.db2.gz PANRHUYMVAWQEE-QGZVFWFLSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000491375659 332200347 /nfs/dbraw/zinc/20/03/47/332200347.db2.gz XDIAGIHFOCETMQ-UHFFFAOYSA-N 2 0 282.432 0.923 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000491659813 332270184 /nfs/dbraw/zinc/27/01/84/332270184.db2.gz IVLIBTMVXWVXRX-AWEZNQCLSA-N 2 0 280.416 0.773 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCCCC1 ZINC000491698013 332292963 /nfs/dbraw/zinc/29/29/63/332292963.db2.gz ABBIQSBGFFHSKK-UHFFFAOYSA-N 2 0 280.416 0.727 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000491729921 332312028 /nfs/dbraw/zinc/31/20/28/332312028.db2.gz IWJDANQMXYEZDV-STQMWFEESA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000491780649 332344987 /nfs/dbraw/zinc/34/49/87/332344987.db2.gz FDVVWYRKFPFAAP-UONOGXRCSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000491782936 332346759 /nfs/dbraw/zinc/34/67/59/332346759.db2.gz ORRWZUKCGVZOLG-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000491794027 332353828 /nfs/dbraw/zinc/35/38/28/332353828.db2.gz OFFMIMWCFZPIMY-UHFFFAOYSA-N 2 0 289.383 0.170 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000491817905 332368442 /nfs/dbraw/zinc/36/84/42/332368442.db2.gz JTQLHITXLZMRCE-QLFBSQMISA-N 2 0 292.427 0.629 20 30 CCEDRP CC[NH+](CC)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000521242569 333116018 /nfs/dbraw/zinc/11/60/18/333116018.db2.gz JZOYHZASOPKHDU-UHFFFAOYSA-N 2 0 252.362 0.432 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000580774810 335267817 /nfs/dbraw/zinc/26/78/17/335267817.db2.gz WHAYSWKUBJTAIU-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000334891215 526431291 /nfs/dbraw/zinc/43/12/91/526431291.db2.gz IKABQMMKRDUVPD-UONOGXRCSA-N 2 0 292.427 0.888 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC)CC1 ZINC000113656030 526620913 /nfs/dbraw/zinc/62/09/13/526620913.db2.gz PZSSYEYCVYSNDY-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP CC(C)[C@H](CNC(=[NH2+])N(C)C1CC1)N1CC[NH+](C)CC1 ZINC000305814373 649880366 /nfs/dbraw/zinc/88/03/66/649880366.db2.gz LIGNIXLGLSNOAR-AWEZNQCLSA-N 2 0 281.448 0.667 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000793933553 581321301 /nfs/dbraw/zinc/32/13/01/581321301.db2.gz UTDUVJCVKZBTHZ-QWHCGFSZSA-N 2 0 251.374 0.514 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000732058270 581800363 /nfs/dbraw/zinc/80/03/63/581800363.db2.gz QVQUBFZWECIGMH-ZNMIVQPWSA-N 2 0 275.396 0.827 20 30 CCEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248627 612949860 /nfs/dbraw/zinc/94/98/60/612949860.db2.gz RJBFSBICQFWTBU-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000963830126 612954457 /nfs/dbraw/zinc/95/44/57/612954457.db2.gz JQIAJRCYZIJTFU-KBMGIXFMSA-N 2 0 289.423 0.977 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970875500 612996833 /nfs/dbraw/zinc/99/68/33/612996833.db2.gz PLRJISOLVDDHCW-STQMWFEESA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982150354 613000046 /nfs/dbraw/zinc/00/00/46/613000046.db2.gz CHNFVDNMCKQJJX-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH+]1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851872960 613011778 /nfs/dbraw/zinc/01/17/78/613011778.db2.gz OZEHRVIZMABZOR-OAHLLOKOSA-N 2 0 267.417 0.328 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959846651 613044312 /nfs/dbraw/zinc/04/43/12/613044312.db2.gz GHXLWDAYRYMUGQ-QXSJWSMHSA-N 2 0 289.423 0.929 20 30 CCEDRP C#CCN(C(=O)NC[C@H]1CC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000925439812 613067255 /nfs/dbraw/zinc/06/72/55/613067255.db2.gz VZPPMNUHRDZUKA-CQSZACIVSA-N 2 0 278.400 0.430 20 30 CCEDRP C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1C)C1CC[NH+](C)CC1 ZINC000925346539 613068154 /nfs/dbraw/zinc/06/81/54/613068154.db2.gz CZLVQKBLHRLNCO-ZFWWWQNUSA-N 2 0 292.427 0.818 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000836487197 613076329 /nfs/dbraw/zinc/07/63/29/613076329.db2.gz AMDDWHINZFPREN-CABCVRRESA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000928444029 613131255 /nfs/dbraw/zinc/13/12/55/613131255.db2.gz IJNYDBSYWDQZEU-GXTWGEPZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981666269 613143632 /nfs/dbraw/zinc/14/36/32/613143632.db2.gz NVAAGWKTJSIVPF-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C[NH+]=C(NCCCN1CCC[N@H+](C)CC1)NC1CC1 ZINC000848999996 613219433 /nfs/dbraw/zinc/21/94/33/613219433.db2.gz DSRYUYZDWCQNKH-UHFFFAOYSA-N 2 0 267.421 0.341 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977584782 613281766 /nfs/dbraw/zinc/28/17/66/613281766.db2.gz FVCYQWMJATUFIE-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000961773709 613313735 /nfs/dbraw/zinc/31/37/35/613313735.db2.gz PVBFPIVDDJFVEX-RMRHIDDWSA-N 2 0 261.369 0.150 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961662514 613344323 /nfs/dbraw/zinc/34/43/23/613344323.db2.gz JHEKZQOXGSCWJX-FICVDOATSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000910413473 613363777 /nfs/dbraw/zinc/36/37/77/613363777.db2.gz LCMRWADWGZBHLH-CYBMUJFWSA-N 2 0 297.399 0.058 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000912049768 613364990 /nfs/dbraw/zinc/36/49/90/613364990.db2.gz XCCOMQGIUWOUMR-BETUJISGSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000900015137 613365028 /nfs/dbraw/zinc/36/50/28/613365028.db2.gz SYFYILGLJAGKQM-OAHLLOKOSA-N 2 0 297.443 0.967 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000827834701 613366014 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CCEDRP C=CC[NH+]1CCC(N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924603816 613674594 /nfs/dbraw/zinc/67/45/94/613674594.db2.gz JJUUGYOGOLEOLZ-GFCCVEGCSA-N 2 0 280.372 0.119 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968724250 613864813 /nfs/dbraw/zinc/86/48/13/613864813.db2.gz CUZHZSTUIVNGRS-JHJVBQTASA-N 2 0 251.374 0.703 20 30 CCEDRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884042004 614117983 /nfs/dbraw/zinc/11/79/83/614117983.db2.gz NISJWVCNEPYEPO-IQXANGCESA-N 2 0 292.427 0.958 20 30 CCEDRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827691 614214775 /nfs/dbraw/zinc/21/47/75/614214775.db2.gz NLAHSUDPZGVMLM-SRVKXCTJSA-N 2 0 252.362 0.225 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972092 614352646 /nfs/dbraw/zinc/35/26/46/614352646.db2.gz QUGNHWDCOIXPIM-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884246593 614442999 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CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N(C)C2CC2)C1 ZINC000181460595 625373829 /nfs/dbraw/zinc/37/38/29/625373829.db2.gz RSNXSRZFOFILMS-CYBMUJFWSA-N 2 0 268.405 0.752 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973796 622873847 /nfs/dbraw/zinc/87/38/47/622873847.db2.gz YLPALVOVASWAST-UPJWGTAASA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001023123586 622917048 /nfs/dbraw/zinc/91/70/48/622917048.db2.gz YGECCJVWRIKOIN-KPWCQOOUSA-N 2 0 263.385 0.729 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022089896 624872194 /nfs/dbraw/zinc/87/21/94/624872194.db2.gz NRAPNOFWADMQBQ-MJBXVCDLSA-N 2 0 263.385 0.751 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001027576659 630768673 /nfs/dbraw/zinc/76/86/73/630768673.db2.gz TWJFNLNOWBLYAR-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350489 650075085 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C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000923410543 640127275 /nfs/dbraw/zinc/12/72/75/640127275.db2.gz HNYMKBIIHJNNCE-YUELXQCFSA-N 2 0 289.379 0.825 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001015614714 650592525 /nfs/dbraw/zinc/59/25/25/650592525.db2.gz DNLYGBHDXUBSLY-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649134 650601299 /nfs/dbraw/zinc/60/12/99/650601299.db2.gz PHXMMAMQFCXJBX-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001016336234 650719608 /nfs/dbraw/zinc/71/96/08/650719608.db2.gz JTBAZFMALCSJFP-OAHLLOKOSA-N 2 0 275.396 0.708 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000848983550 643691245 /nfs/dbraw/zinc/69/12/45/643691245.db2.gz KGWURWSFMDZHRR-UTUOFQBUSA-N 2 0 254.378 0.423 20 30 CCEDRP C=CC[C@H](CO)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849016188 643700814 /nfs/dbraw/zinc/70/08/14/643700814.db2.gz RNAMFSRBDCWLGO-STQMWFEESA-N 2 0 268.405 0.769 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000852878816 644038725 /nfs/dbraw/zinc/03/87/25/644038725.db2.gz PNIRSCCRXQVEAC-UHFFFAOYSA-N 2 0 289.423 0.982 20 30 CCEDRP [NH3+]CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)C(F)F ZINC000852882106 644040730 /nfs/dbraw/zinc/04/07/30/644040730.db2.gz YEKCRBVQTRHEHW-JTQLQIEISA-N 2 0 259.300 0.088 20 30 CCEDRP [NH3+]CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C(F)(F)F ZINC000852882693 644041618 /nfs/dbraw/zinc/04/16/18/644041618.db2.gz OENVYPMDBSOOJN-SNVBAGLBSA-N 2 0 277.290 0.385 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001018965013 650926153 /nfs/dbraw/zinc/92/61/53/650926153.db2.gz SZFKHEBXLJYGGG-STQMWFEESA-N 2 0 251.374 0.703 20 30 CCEDRP C[C@@](C[NH3+])(NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000867967083 645691363 /nfs/dbraw/zinc/69/13/63/645691363.db2.gz YZGCIRCAUXXEJL-RDJZCZTQSA-N 2 0 298.390 0.989 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001020149845 651044608 /nfs/dbraw/zinc/04/46/08/651044608.db2.gz FDTBHMGSMHAJCE-ZQDZILKHSA-N 2 0 275.396 0.731 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178645 651046173 /nfs/dbraw/zinc/04/61/73/651046173.db2.gz AMVCMXUCLYYNIJ-AAVRWANBSA-N 2 0 279.384 0.272 20 30 CCEDRP C[C@@H](CC#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017388 645950719 /nfs/dbraw/zinc/95/07/19/645950719.db2.gz MJUPYLLNXMMNMU-BFHYXJOUSA-N 2 0 280.416 0.734 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792131 646664939 /nfs/dbraw/zinc/66/49/39/646664939.db2.gz SCWPRSRBHPUMAF-HUUCEWRRSA-N 2 0 284.363 0.599 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1([NH3+])CCC1 ZINC000876795134 646665615 /nfs/dbraw/zinc/66/56/15/646665615.db2.gz JWOCOXMXMVNXME-AWEZNQCLSA-N 2 0 284.363 0.743 20 30 CCEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC000877372334 646804320 /nfs/dbraw/zinc/80/43/20/646804320.db2.gz CHHRPJUUEVOCMV-DZGCQCFKSA-N 2 0 261.369 0.057 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884013023 647610180 /nfs/dbraw/zinc/61/01/80/647610180.db2.gz ANCMOEZCPPWTHL-JDZQBJQSSA-N 2 0 290.411 0.854 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000303398367 649818432 /nfs/dbraw/zinc/81/84/32/649818432.db2.gz JIKRKVDPLAIWJX-TZMCWYRMSA-N 2 0 292.383 0.808 20 30 CCEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+](C)C ZINC000303788902 649825237 /nfs/dbraw/zinc/82/52/37/649825237.db2.gz UVZRWAXBMBPKEQ-LBPRGKRZSA-N 2 0 256.394 0.610 20 30 CCEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303869493 649825768 /nfs/dbraw/zinc/82/57/68/649825768.db2.gz AYMONEDPLAIICJ-UHFFFAOYSA-N 2 0 297.447 0.668 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000303866600 649825999 /nfs/dbraw/zinc/82/59/99/649825999.db2.gz CNNNXUGCUFWJTE-CQSZACIVSA-N 2 0 283.464 0.964 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303897710 649826571 /nfs/dbraw/zinc/82/65/71/649826571.db2.gz QUTDZGFQXJWHHN-VXGBXAGGSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303899803 649826906 /nfs/dbraw/zinc/82/69/06/649826906.db2.gz RTMXCDNTVPAZKA-CYBMUJFWSA-N 2 0 299.488 0.376 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000303969662 649827243 /nfs/dbraw/zinc/82/72/43/649827243.db2.gz BXSBETQNEZSYMH-KBPBESRZSA-N 2 0 281.448 0.669 20 30 CCEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303990929 649827930 /nfs/dbraw/zinc/82/79/30/649827930.db2.gz ZBQAOYSKMBIRMM-CQSZACIVSA-N 2 0 299.463 0.343 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[N@H+](C)C1CCCC1 ZINC000304738618 649837714 /nfs/dbraw/zinc/83/77/14/649837714.db2.gz AUZOMYQTXITCAZ-NSHDSACASA-N 2 0 256.394 0.800 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCC1CC1 ZINC000304760885 649838760 /nfs/dbraw/zinc/83/87/60/649838760.db2.gz TUVRLICXKWXEJI-CYBMUJFWSA-N 2 0 268.405 0.802 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000305001096 649840631 /nfs/dbraw/zinc/84/06/31/649840631.db2.gz HGAAUXNTFCXVCU-ZDUSSCGKSA-N 2 0 268.405 0.611 20 30 CCEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262966 805589315 /nfs/dbraw/zinc/58/93/15/805589315.db2.gz ZLRVRBHZPRLGJO-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701895 791156723 /nfs/dbraw/zinc/15/67/23/791156723.db2.gz IIJAEHLAJROKEL-ZDUSSCGKSA-N 2 0 251.374 0.562 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413842 790658448 /nfs/dbraw/zinc/65/84/48/790658448.db2.gz UISKFJDSSTUKBB-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232858 790724585 /nfs/dbraw/zinc/72/45/85/790724585.db2.gz SEONFTRZNOWBDY-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001266453384 790744416 /nfs/dbraw/zinc/74/44/16/790744416.db2.gz DUNHQGVACLXLFQ-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245982524 807105074 /nfs/dbraw/zinc/10/50/74/807105074.db2.gz SJVGPNIRIZBZHB-UONOGXRCSA-N 2 0 266.385 0.509 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001267220661 791694043 /nfs/dbraw/zinc/69/40/43/791694043.db2.gz AVUQFBVHVAPCEW-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655399 791697471 /nfs/dbraw/zinc/69/74/71/791697471.db2.gz OSPQXANPWCWMLZ-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001038141418 791703794 /nfs/dbraw/zinc/70/37/94/791703794.db2.gz KZNRQNVWLTYIHW-QWHCGFSZSA-N 2 0 267.373 0.084 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001121922546 799093983 /nfs/dbraw/zinc/09/39/83/799093983.db2.gz LJZZSYOBXMWCMZ-LSDHHAIUSA-N 2 0 295.427 0.851 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2ncc[nH]2)C12CCC2 ZINC001202857208 799747493 /nfs/dbraw/zinc/74/74/93/799747493.db2.gz PKPDWXQKYUMFOE-QWHCGFSZSA-N 2 0 286.379 0.993 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999763 800887992 /nfs/dbraw/zinc/88/79/92/800887992.db2.gz MWKVQLSTUCKHFX-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255226 800941394 /nfs/dbraw/zinc/94/13/94/800941394.db2.gz NXXFXFUHSDGVFS-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@@H](C[NH3+])[C@@H]2C)CCC[NH2+]1 ZINC001157845147 801498930 /nfs/dbraw/zinc/49/89/30/801498930.db2.gz ZZGYWSCWXWNIMI-KCQAQPDRSA-N 2 0 263.385 0.718 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037440 801558602 /nfs/dbraw/zinc/55/86/02/801558602.db2.gz IVQUFBGJSMLPMC-GJZGRUSLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037443 801558775 /nfs/dbraw/zinc/55/87/75/801558775.db2.gz IVQUFBGJSMLPMC-LSDHHAIUSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037438 801558802 /nfs/dbraw/zinc/55/88/02/801558802.db2.gz IVQUFBGJSMLPMC-CABCVRRESA-N 2 0 277.412 0.980 20 30 CCEDRP C=CCN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001160431708 801939711 /nfs/dbraw/zinc/93/97/11/801939711.db2.gz BFKLQYUKLLDYOQ-AWEZNQCLSA-N 2 0 282.432 0.376 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N(CCC#N)CCC#N ZINC001160749963 802014412 /nfs/dbraw/zinc/01/44/12/802014412.db2.gz CPJIDLXKBMDRBM-ZDUSSCGKSA-N 2 0 279.388 0.702 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252615639 807919810 /nfs/dbraw/zinc/91/98/10/807919810.db2.gz BUJMFZXDGFWLMU-CQSZACIVSA-N 2 0 256.390 0.607 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cnc(C#N)c(C#N)n1 ZINC001163128373 802488416 /nfs/dbraw/zinc/48/84/16/802488416.db2.gz IGWUTFDJWHBIHT-UHFFFAOYSA-N 2 0 286.343 0.498 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001163822099 802618556 /nfs/dbraw/zinc/61/85/56/802618556.db2.gz SCENBNBAIDITPV-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166889814 802974120 /nfs/dbraw/zinc/97/41/20/802974120.db2.gz AHLBEZOHAZLMEB-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206531016 803261016 /nfs/dbraw/zinc/26/10/16/803261016.db2.gz ZRNUVPNUYBWXDW-HOCLYGCPSA-N 2 0 288.395 0.788 20 30 CCEDRP C=C(C)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206872808 803296874 /nfs/dbraw/zinc/29/68/74/803296874.db2.gz UMGQSMONYOZXMR-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207683770 803436756 /nfs/dbraw/zinc/43/67/56/803436756.db2.gz HMVNIZFYCYMJDZ-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208690893 803536147 /nfs/dbraw/zinc/53/61/47/803536147.db2.gz ALNBZQKIEIICKM-UPJWGTAASA-N 2 0 251.374 0.396 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209408407 803601975 /nfs/dbraw/zinc/60/19/75/803601975.db2.gz NGNAKESNHDTYFN-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678213 803700437 /nfs/dbraw/zinc/70/04/37/803700437.db2.gz KDZZGPGZIZSITO-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001214757446 803757960 /nfs/dbraw/zinc/75/79/60/803757960.db2.gz MPCATHPSOOUEGT-MGPQQGTHSA-N 2 0 283.391 0.736 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883306 803759496 /nfs/dbraw/zinc/75/94/96/803759496.db2.gz MBEUGKQRECDHDI-NEPJUHHUSA-N 2 0 256.394 0.658 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C#N)c1C ZINC001218554644 804001476 /nfs/dbraw/zinc/00/14/76/804001476.db2.gz ACTKEVJPTVWXRN-IAQYHMDHSA-N 2 0 287.367 0.641 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C#N)c1C ZINC001218555546 804003145 /nfs/dbraw/zinc/00/31/45/804003145.db2.gz IMFQYVFIKGRHDN-LLVKDONJSA-N 2 0 273.340 0.251 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C#N)c1C ZINC001218555551 804003490 /nfs/dbraw/zinc/00/34/90/804003490.db2.gz IMFQYVFIKGRHDN-NSHDSACASA-N 2 0 273.340 0.251 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1[nH]cnc1C#N ZINC001218595566 804028537 /nfs/dbraw/zinc/02/85/37/804028537.db2.gz OZVBBPMKBUYAQF-JTQLQIEISA-N 2 0 278.360 0.715 20 30 CCEDRP N#Cc1cc[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218654033 804064102 /nfs/dbraw/zinc/06/41/02/804064102.db2.gz FLHUVNXTIXVJGQ-ZWNOBZJWSA-N 2 0 259.313 0.024 20 30 CCEDRP C#Cc1ccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1F ZINC001219384320 804295216 /nfs/dbraw/zinc/29/52/16/804295216.db2.gz NOXXYXQAZKCPKL-LBPRGKRZSA-N 2 0 281.356 0.765 20 30 CCEDRP CC(C)(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(C#N)cc1 ZINC001219988494 804466564 /nfs/dbraw/zinc/46/65/64/804466564.db2.gz YALKTUGVDKTPBC-CQSZACIVSA-N 2 0 298.390 0.719 20 30 CCEDRP [NH3+]CCCC[C@H]([NH3+])C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343074 804580316 /nfs/dbraw/zinc/58/03/16/804580316.db2.gz DNRCJWIOYYHPTM-KNIZRNDPSA-N 2 0 267.251 0.204 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCN(C)CC[NH3+] ZINC001220515789 804617653 /nfs/dbraw/zinc/61/76/53/804617653.db2.gz KSTDNHNNOUHPGD-ZDUSSCGKSA-N 2 0 270.421 0.457 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220828866 804676750 /nfs/dbraw/zinc/67/67/50/804676750.db2.gz GGEWAPXENLMVPS-KFWWJZLASA-N 2 0 297.443 0.844 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221292499 804768665 /nfs/dbraw/zinc/76/86/65/804768665.db2.gz NEPSHYCLJGTETM-DGCLKSJQSA-N 2 0 264.373 0.240 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980654 815042192 /nfs/dbraw/zinc/04/21/92/815042192.db2.gz ABSVPZDTSYXVHL-ROKHWSDSSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001227047998 805315067 /nfs/dbraw/zinc/31/50/67/805315067.db2.gz QERRKMXMJPAPHA-MGPQQGTHSA-N 2 0 265.401 0.977 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278399186 807066839 /nfs/dbraw/zinc/06/68/39/807066839.db2.gz VEWYHKIIWQLMSB-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278415870 807096976 /nfs/dbraw/zinc/09/69/76/807096976.db2.gz JVZJETNGGPNMSQ-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246021639 807120718 /nfs/dbraw/zinc/12/07/18/807120718.db2.gz LCAYFVNSDDFGQY-MELADBBJSA-N 2 0 256.390 0.857 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437567 807195660 /nfs/dbraw/zinc/19/56/60/807195660.db2.gz FTLIIYKOKMDAEO-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccccc1OCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246325549 807222310 /nfs/dbraw/zinc/22/23/10/807222310.db2.gz BWSYPOCHHUGGIK-CQSZACIVSA-N 2 0 286.379 0.621 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465826 815100594 /nfs/dbraw/zinc/10/05/94/815100594.db2.gz URYMCVJZNZWUSI-KFWWJZLASA-N 2 0 293.411 0.066 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001278613712 807623063 /nfs/dbraw/zinc/62/30/63/807623063.db2.gz NFYHUROCKNIPLH-LSDHHAIUSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC001251891193 807736186 /nfs/dbraw/zinc/73/61/86/807736186.db2.gz NVMMELNFDDNLSI-HNNXBMFYSA-N 2 0 266.385 0.604 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001251894215 807738650 /nfs/dbraw/zinc/73/86/50/807738650.db2.gz QNPSDYFVWOJFLJ-INIZCTEOSA-N 2 0 280.412 0.994 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252467180 807877205 /nfs/dbraw/zinc/87/72/05/807877205.db2.gz WRTFAVFHIIICTO-MRXNPFEDSA-N 2 0 297.443 0.262 20 30 CCEDRP C=CCOC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252471206 807881611 /nfs/dbraw/zinc/88/16/11/807881611.db2.gz VDASIHQQCNRVIN-AWEZNQCLSA-N 2 0 268.401 0.968 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689654 807993959 /nfs/dbraw/zinc/99/39/59/807993959.db2.gz GBZZZSXPSMUPRG-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728983 808078580 /nfs/dbraw/zinc/07/85/80/808078580.db2.gz YWWPZFDPEMXXKA-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278804557 808275893 /nfs/dbraw/zinc/27/58/93/808275893.db2.gz CKFAUSUBVSQPBW-GXTWGEPZSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3ccnc3)[C@@H]2C1 ZINC001076107483 815244828 /nfs/dbraw/zinc/24/48/28/815244828.db2.gz YKELLFCYQDBCGU-LSDHHAIUSA-N 2 0 286.379 0.829 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001262571319 809349311 /nfs/dbraw/zinc/34/93/11/809349311.db2.gz RHUDCEUBBFPJKA-TZMCWYRMSA-N 2 0 280.416 0.934 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001263095259 809440802 /nfs/dbraw/zinc/44/08/02/809440802.db2.gz IESFOTJJLIBUDJ-KBPBESRZSA-N 2 0 265.401 0.693 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2([C@@H](C)[NH3+])CCOCC2)CC1 ZINC001263100063 809442881 /nfs/dbraw/zinc/44/28/81/809442881.db2.gz BXIDEOFZFAXVAT-CYBMUJFWSA-N 2 0 295.427 0.897 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCc1cn2cccc(C)c2n1 ZINC001263101207 809443282 /nfs/dbraw/zinc/44/32/82/809443282.db2.gz LPAISDYFHPXATQ-UHFFFAOYSA-N 2 0 270.336 0.524 20 30 CCEDRP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001265068429 809702949 /nfs/dbraw/zinc/70/29/49/809702949.db2.gz JYYUMQRRFMBCRV-HNNXBMFYSA-N 2 0 297.443 0.969 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076571267 815312273 /nfs/dbraw/zinc/31/22/73/815312273.db2.gz BSCILBUULZAPJC-LSDHHAIUSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265624695 809815999 /nfs/dbraw/zinc/81/59/99/809815999.db2.gz XOEUCRKMJGPFON-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001265946791 809901429 /nfs/dbraw/zinc/90/14/29/809901429.db2.gz NBRIDHTWVVGVND-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266005144 809916672 /nfs/dbraw/zinc/91/66/72/809916672.db2.gz RZUJDLIMRJJORY-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266191710 809959113 /nfs/dbraw/zinc/95/91/13/809959113.db2.gz IBFBYTPKIDHALY-ZDUSSCGKSA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001267304783 811126314 /nfs/dbraw/zinc/12/63/14/811126314.db2.gz MAUWKHAYIZRDOB-OAHLLOKOSA-N 2 0 293.411 0.170 20 30 CCEDRP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275380 811434191 /nfs/dbraw/zinc/43/41/91/811434191.db2.gz ZVKGSTRLSXQXQO-LSDHHAIUSA-N 2 0 293.411 0.570 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279746257 811633041 /nfs/dbraw/zinc/63/30/41/811633041.db2.gz KBSZWGFLIMDLMX-CABCVRRESA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267683106 811648341 /nfs/dbraw/zinc/64/83/41/811648341.db2.gz JNRNUECXXROVJE-AWEZNQCLSA-N 2 0 265.401 0.742 20 30 CCEDRP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027893972 812126216 /nfs/dbraw/zinc/12/62/16/812126216.db2.gz HRBHAUQBKQZOEL-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028320337 812612792 /nfs/dbraw/zinc/61/27/92/812612792.db2.gz QEUZSEIRUSANCY-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC=C)CC1 ZINC001268674597 812995712 /nfs/dbraw/zinc/99/57/12/812995712.db2.gz WMUXIHCKLIPQBO-CYBMUJFWSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268693665 813012164 /nfs/dbraw/zinc/01/21/64/813012164.db2.gz BEJKPIHASCHZKX-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731333 813046539 /nfs/dbraw/zinc/04/65/39/813046539.db2.gz MWTNNXKPOAOCOX-RBSFLKMASA-N 2 0 295.427 0.413 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001269489335 813390098 /nfs/dbraw/zinc/39/00/98/813390098.db2.gz MYVFFCGMTONHHR-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762965 813457734 /nfs/dbraw/zinc/45/77/34/813457734.db2.gz XHKAYUPNFLPMFB-KKUMJFAQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001271144526 814207139 /nfs/dbraw/zinc/20/71/39/814207139.db2.gz CKJZGONXTDXPPS-ZBFHGGJFSA-N 2 0 293.411 0.045 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828136 814226943 /nfs/dbraw/zinc/22/69/43/814226943.db2.gz BGJYIFOQSBLIJS-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271531122 814470104 /nfs/dbraw/zinc/47/01/04/814470104.db2.gz KXAWDYSFRIFGFU-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001271816138 814592620 /nfs/dbraw/zinc/59/26/20/814592620.db2.gz WFQLCMYETDHUIH-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001271860148 814613747 /nfs/dbraw/zinc/61/37/47/814613747.db2.gz GKBLWSPWPBPRAW-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000176492145 816609630 /nfs/dbraw/zinc/60/96/30/816609630.db2.gz ZPWDFNKTGZYLNO-QWHCGFSZSA-N 2 0 286.420 0.427 20 30 CCEDRP N#Cc1ccc(CN2CCNC[C@]23CC[NH2+]C3)cn1 ZINC001234985711 816789390 /nfs/dbraw/zinc/78/93/90/816789390.db2.gz FAFJPJAIPICOSF-CQSZACIVSA-N 2 0 257.341 0.091 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689054 817245824 /nfs/dbraw/zinc/24/58/24/817245824.db2.gz QQJONMAHOOXASF-LSDHHAIUSA-N 2 0 293.411 0.474 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563372 817279451 /nfs/dbraw/zinc/27/94/51/817279451.db2.gz XICMEWLVFKVUJR-UHFFFAOYSA-N 2 0 279.388 0.340 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978437 817516662 /nfs/dbraw/zinc/51/66/62/817516662.db2.gz SSNKPNGEJVRMKV-WCQYABFASA-N 2 0 251.374 0.418 20 30 CCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001124872725 817607958 /nfs/dbraw/zinc/60/79/58/817607958.db2.gz MCDXNFCHQOYUEP-ZDUSSCGKSA-N 2 0 292.408 0.920 20 30 CCEDRP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077678984 817984798 /nfs/dbraw/zinc/98/47/98/817984798.db2.gz DJDCONJUZWXVBE-MGPQQGTHSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030166 818488568 /nfs/dbraw/zinc/48/85/68/818488568.db2.gz LVQZOJWQBWUAPK-INIZCTEOSA-N 2 0 293.411 0.475 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090528 818510885 /nfs/dbraw/zinc/51/08/85/818510885.db2.gz BYRAUKXCPZYLQS-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001033681122 818883646 /nfs/dbraw/zinc/88/36/46/818883646.db2.gz RUQSTHRNIJSEHD-UONOGXRCSA-N 2 0 281.400 0.426 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033788861 818934691 /nfs/dbraw/zinc/93/46/91/818934691.db2.gz KPENPZMAYOWZRV-GJZGRUSLSA-N 2 0 293.411 0.263 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048258 819043557 /nfs/dbraw/zinc/04/35/57/819043557.db2.gz NRBMTHCJRKZLQX-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034663575 819272565 /nfs/dbraw/zinc/27/25/65/819272565.db2.gz DTORHUVNJOPKAA-KKUMJFAQSA-N 2 0 293.411 0.093 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CC)CC1 ZINC001035131794 819398167 /nfs/dbraw/zinc/39/81/67/819398167.db2.gz SUUMAMDXLBNNJX-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(C)C)CCO1 ZINC001035403094 819508506 /nfs/dbraw/zinc/50/85/06/819508506.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035719836 819615071 /nfs/dbraw/zinc/61/50/71/819615071.db2.gz BOEICMYDVGVYJP-OAHLLOKOSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001080137888 820519687 /nfs/dbraw/zinc/51/96/87/820519687.db2.gz TXNIMNWAFOLMFJ-TZMCWYRMSA-N 2 0 274.368 0.651 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787722 820639429 /nfs/dbraw/zinc/63/94/29/820639429.db2.gz PICAXAGSDLELQM-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368560 820946910 /nfs/dbraw/zinc/94/69/10/820946910.db2.gz GYJHOIUACHVCLF-RRFJBIMHSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001082747224 821024076 /nfs/dbraw/zinc/02/40/76/821024076.db2.gz FNEGFOZMFPNJGT-UPJWGTAASA-N 2 0 253.390 0.949 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001082724284 821027101 /nfs/dbraw/zinc/02/71/01/821027101.db2.gz VAXWCLKQMHMNFX-MGPQQGTHSA-N 2 0 265.401 0.642 20 30 CCEDRP C=CCn1nnnc1N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001119715871 821422609 /nfs/dbraw/zinc/42/26/09/821422609.db2.gz CUCMVFHMBOTSIB-UHFFFAOYSA-N 2 0 293.419 0.321 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092794 821493410 /nfs/dbraw/zinc/49/34/10/821493410.db2.gz QCIKWDNDTNBZRF-ILXRZTDVSA-N 2 0 275.396 0.494 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086177494 822144153 /nfs/dbraw/zinc/14/41/53/822144153.db2.gz WHXWAHACLHATDR-QLFBSQMISA-N 2 0 295.427 0.766 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001086194636 822150116 /nfs/dbraw/zinc/15/01/16/822150116.db2.gz IOFVTTFARJIBRS-XQQFMLRXSA-N 2 0 286.379 0.947 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086381624 822232340 /nfs/dbraw/zinc/23/23/40/822232340.db2.gz BZXUHKSABRGFCH-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#CCOC ZINC001130424916 837791376 /nfs/dbraw/zinc/79/13/76/837791376.db2.gz GVZLOVNWGSIOMD-UHFFFAOYSA-N 2 0 269.389 0.072 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647456 844055217 /nfs/dbraw/zinc/05/52/17/844055217.db2.gz IJPQMMPGXHLRJX-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP N#Cc1ccc([C@H]([NH3+])CC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001157538317 837104532 /nfs/dbraw/zinc/10/45/32/837104532.db2.gz JSCZKBGHWHBHJG-UPJWGTAASA-N 2 0 276.315 0.456 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130870357 837944648 /nfs/dbraw/zinc/94/46/48/837944648.db2.gz SDJMLGSJVGYLGW-UHFFFAOYSA-N 2 0 286.335 0.304 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372206 839228497 /nfs/dbraw/zinc/22/84/97/839228497.db2.gz OQBPQDKSXNJCHQ-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP COC(OC)c1c(/C=N/O)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170897054 839542940 /nfs/dbraw/zinc/54/29/40/839542940.db2.gz KSZMDZUOVFMJFO-JVDJPWEPSA-N 2 0 297.359 0.617 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185716403 844452768 /nfs/dbraw/zinc/45/27/68/844452768.db2.gz WNEMGOBFCKNCRY-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCN(C)CC[NH3+] ZINC001171192296 840065494 /nfs/dbraw/zinc/06/54/94/840065494.db2.gz MPHFHTPSTMVJTK-CYBMUJFWSA-N 2 0 260.385 0.969 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147403261 840584880 /nfs/dbraw/zinc/58/48/80/840584880.db2.gz YDPDFCBZOVUCRU-INIZCTEOSA-N 2 0 273.380 0.802 20 30 CCEDRP N#Cc1ccc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001147977236 840725977 /nfs/dbraw/zinc/72/59/77/840725977.db2.gz NJAZOZWGJWZKJR-UHFFFAOYSA-N 2 0 298.390 0.860 20 30 CCEDRP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148551738 840836632 /nfs/dbraw/zinc/83/66/32/840836632.db2.gz UBJAKXVGLUPDLQ-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036869940 841431854 /nfs/dbraw/zinc/43/18/54/841431854.db2.gz MQULHGCGZZUKCW-GJZGRUSLSA-N 2 0 287.407 0.638 20 30 CCEDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302712 841915019 /nfs/dbraw/zinc/91/50/19/841915019.db2.gz PGGZNBDTKUTKGV-SMDDNHRTSA-N 2 0 275.352 0.827 20 30 CCEDRP C[C@H](CCCC#N)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001172486737 841931077 /nfs/dbraw/zinc/93/10/77/841931077.db2.gz CTYUNKPAYZITNW-SNVBAGLBSA-N 2 0 258.326 0.207 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925841 843080544 /nfs/dbraw/zinc/08/05/44/843080544.db2.gz VHRGCRHCFPZKOI-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC(C)([NH+](C)C)C1 ZINC001183045148 843956166 /nfs/dbraw/zinc/95/61/66/843956166.db2.gz UWGBTGHOOUTENO-UHFFFAOYSA-N 2 0 251.374 0.801 20 30 CCEDRP COCC#CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001187125686 844655163 /nfs/dbraw/zinc/65/51/63/844655163.db2.gz RMYRAWBTMWDQJQ-UHFFFAOYSA-N 2 0 283.416 0.368 20 30 CCEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292837 846046221 /nfs/dbraw/zinc/04/62/21/846046221.db2.gz UVGSKABSJABFOE-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001193642087 846134068 /nfs/dbraw/zinc/13/40/68/846134068.db2.gz LTXARLYJSMOGTI-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194460199 846294432 /nfs/dbraw/zinc/29/44/32/846294432.db2.gz MZVVZSKPEDSMHH-ZDUSSCGKSA-N 2 0 262.357 0.992 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195709109 846606803 /nfs/dbraw/zinc/60/68/03/846606803.db2.gz WXAVBYWDXSAJTD-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198028688 847032729 /nfs/dbraw/zinc/03/27/29/847032729.db2.gz GGEWAPXENLMVPS-RRFJBIMHSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198663181 847151136 /nfs/dbraw/zinc/15/11/36/847151136.db2.gz ZGVVSYQLJRFDKT-MGPQQGTHSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023086 847202689 /nfs/dbraw/zinc/20/26/89/847202689.db2.gz AFOVUMAOGFWMNG-HUUCEWRRSA-N 2 0 293.411 0.047 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057588 847214792 /nfs/dbraw/zinc/21/47/92/847214792.db2.gz NGRDJLTZGORCNM-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807037 847694029 /nfs/dbraw/zinc/69/40/29/847694029.db2.gz UVFWRZGHZWRGGM-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201259605 847754712 /nfs/dbraw/zinc/75/47/12/847754712.db2.gz CAKWOJSDXURMMF-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CCCO1 ZINC001201405085 847775956 /nfs/dbraw/zinc/77/59/56/847775956.db2.gz ZZFLBGHQYDCFFU-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408775 848050460 /nfs/dbraw/zinc/05/04/60/848050460.db2.gz AIUQHFQIZPBFSH-CBBWQLFWSA-N 2 0 277.412 0.949 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114488682 848083640 /nfs/dbraw/zinc/08/36/40/848083640.db2.gz RFMVCYFCGRNUCL-ITGUQSILSA-N 2 0 263.385 0.396 20 30 CCEDRP C#CCC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001273979316 848182954 /nfs/dbraw/zinc/18/29/54/848182954.db2.gz COJMEZNAZLVSTQ-CQSZACIVSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001274250698 848431440 /nfs/dbraw/zinc/43/14/40/848431440.db2.gz JKVRKLZLZZSBOV-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001274558054 848504012 /nfs/dbraw/zinc/50/40/12/848504012.db2.gz DNUMVBLPKZEUET-CQSZACIVSA-N 2 0 295.427 0.149 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001274571866 848508067 /nfs/dbraw/zinc/50/80/67/848508067.db2.gz GPWRCCDLPASRAI-CYBMUJFWSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001275977967 848879389 /nfs/dbraw/zinc/87/93/89/848879389.db2.gz HGEDYMNASLFLOO-GASCZTMLSA-N 2 0 265.401 0.346 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]21 ZINC001042173120 850587947 /nfs/dbraw/zinc/58/79/47/850587947.db2.gz LVURTAMNOWHJMJ-CABCVRRESA-N 2 0 286.379 0.829 20 30 CCEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001045639196 851290952 /nfs/dbraw/zinc/29/09/52/851290952.db2.gz CXIHBCGRDVZKAT-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046926623 851646485 /nfs/dbraw/zinc/64/64/85/851646485.db2.gz UPEBJMVCFRGSJH-OLZOCXBDSA-N 2 0 299.365 0.787 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048938994 852115627 /nfs/dbraw/zinc/11/56/27/852115627.db2.gz YCABWYXRLXAKEB-OKILXGFUSA-N 2 0 274.368 0.768 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049038398 852144492 /nfs/dbraw/zinc/14/44/92/852144492.db2.gz GWJATRJDVYZZMK-OWCLPIDISA-N 2 0 291.439 0.986 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001049065449 852152240 /nfs/dbraw/zinc/15/22/40/852152240.db2.gz SKPBXJNCAIWMSV-MJBXVCDLSA-N 2 0 265.401 0.903 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059706 852152800 /nfs/dbraw/zinc/15/28/00/852152800.db2.gz DRQXALVHAWPUGY-BYNSBNAKSA-N 2 0 275.396 0.208 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@@H]1[NH3+] ZINC001261552491 852459197 /nfs/dbraw/zinc/45/91/97/852459197.db2.gz UAKOSSSSQKPAJY-WOPDTQHZSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001054789673 853014366 /nfs/dbraw/zinc/01/43/66/853014366.db2.gz GBSQRCFRWZIPMQ-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050203244 853334664 /nfs/dbraw/zinc/33/46/64/853334664.db2.gz ZAJUCDRYOOBILE-SOUVJXGZSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072982935 854506886 /nfs/dbraw/zinc/50/68/86/854506886.db2.gz GJZYRHPGDNDVHB-KGLIPLIRSA-N 2 0 275.396 0.352 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC)C3)CC1 ZINC001073457233 854559104 /nfs/dbraw/zinc/55/91/04/854559104.db2.gz HIKUCBSNTCDHLL-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001074654782 854762470 /nfs/dbraw/zinc/76/24/70/854762470.db2.gz CSHWIANBHXKAKB-QEJZJMRPSA-N 2 0 275.396 0.540 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075106014 854812324 /nfs/dbraw/zinc/81/23/24/854812324.db2.gz GDFNQXBKJVZNNO-XQQFMLRXSA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099528742 854935426 /nfs/dbraw/zinc/93/54/26/854935426.db2.gz IUVGAHPGFXCASS-JONQDZQNSA-N 2 0 289.423 0.740 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871600 855013002 /nfs/dbraw/zinc/01/30/02/855013002.db2.gz HUKRFSYPIDJISZ-CHWSQXEVSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878916 855015723 /nfs/dbraw/zinc/01/57/23/855015723.db2.gz BGRBTJOMOJXXPF-CABCVRRESA-N 2 0 295.427 0.598 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099878943 855017322 /nfs/dbraw/zinc/01/73/22/855017322.db2.gz BVDMYUCWCKUIQO-LSDHHAIUSA-N 2 0 293.411 0.045 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131558 855103347 /nfs/dbraw/zinc/10/33/47/855103347.db2.gz FIOHQENQKHXTID-LSDHHAIUSA-N 2 0 297.443 0.844 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638277 855201436 /nfs/dbraw/zinc/20/14/36/855201436.db2.gz FALANMJWFYJLON-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637363 855201687 /nfs/dbraw/zinc/20/16/87/855201687.db2.gz OTFRCQGCXZVFNF-UHFFFAOYSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114991625 855633723 /nfs/dbraw/zinc/63/37/23/855633723.db2.gz GLNLEYIHTZHUPR-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C[C@H](CCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001119300372 856621582 /nfs/dbraw/zinc/62/15/82/856621582.db2.gz ZWJWUMOTXPXDFA-KTEZZQQRSA-N 2 0 264.373 0.369 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325458265 913415565 /nfs/dbraw/zinc/41/55/65/913415565.db2.gz VWMZDUHACXMUKH-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108090 892170534 /nfs/dbraw/zinc/17/05/34/892170534.db2.gz OTGIVDAFPNCWJN-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481124974 892198922 /nfs/dbraw/zinc/19/89/22/892198922.db2.gz YYWIEHJLTCOJIL-CQSZACIVSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282186112 892956253 /nfs/dbraw/zinc/95/62/53/892956253.db2.gz SCXYSQBAXKPWKV-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481746576 893111061 /nfs/dbraw/zinc/11/10/61/893111061.db2.gz GGAWZVKYMLWUGQ-OLZOCXBDSA-N 2 0 251.374 0.493 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001482064195 893350260 /nfs/dbraw/zinc/35/02/60/893350260.db2.gz ABAATYGRTJGMFO-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001482553568 894232259 /nfs/dbraw/zinc/23/22/59/894232259.db2.gz NIECEVAVSIVFRO-KGLIPLIRSA-N 2 0 265.401 0.692 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001482620989 894423196 /nfs/dbraw/zinc/42/31/96/894423196.db2.gz ZJCAIECUYMEPPO-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967264 894734990 /nfs/dbraw/zinc/73/49/90/894734990.db2.gz OZQZSEUEKJBJEG-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001482970259 894736506 /nfs/dbraw/zinc/73/65/06/894736506.db2.gz QNQPBXOHFRKHKH-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCOC)CC1 ZINC001483099300 894900142 /nfs/dbraw/zinc/90/01/42/894900142.db2.gz XGEBMNMCRYZGNK-SNAWJCMRSA-N 2 0 293.411 0.240 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483373813 895506386 /nfs/dbraw/zinc/50/63/86/895506386.db2.gz DLCHAYFXQXGYST-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410360 895545122 /nfs/dbraw/zinc/54/51/22/895545122.db2.gz VHVAWTSIEMLTJM-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483382776 895526538 /nfs/dbraw/zinc/52/65/38/895526538.db2.gz DBHUMLFBSADDAZ-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001483511017 895620046 /nfs/dbraw/zinc/62/00/46/895620046.db2.gz YZKWACGECRPTSZ-UHFFFAOYSA-N 2 0 251.374 0.544 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001483587862 895664847 /nfs/dbraw/zinc/66/48/47/895664847.db2.gz OGCRTUHIYQCWDW-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001484380331 896370938 /nfs/dbraw/zinc/37/09/38/896370938.db2.gz HVQHPJDREXRQAX-KGLIPLIRSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484450607 896410888 /nfs/dbraw/zinc/41/08/88/896410888.db2.gz UBQIPIIVQCOTKR-DZGCQCFKSA-N 2 0 281.400 0.067 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001484697432 896556505 /nfs/dbraw/zinc/55/65/05/896556505.db2.gz VCCUDFOLTRTPSM-ZIAGYGMSSA-N 2 0 281.400 0.023 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001485688195 897185277 /nfs/dbraw/zinc/18/52/77/897185277.db2.gz CDHWPJOMVFZEDW-MGPQQGTHSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001485694858 897194217 /nfs/dbraw/zinc/19/42/17/897194217.db2.gz WTZLLULOTPMSJM-HDJSIYSDSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001485715881 897199648 /nfs/dbraw/zinc/19/96/48/897199648.db2.gz IPFGVVKRAQSAGV-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407429 897474309 /nfs/dbraw/zinc/47/43/09/897474309.db2.gz DRMWKENTINHIGB-SOUVJXGZSA-N 2 0 273.380 0.247 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001326822027 914207621 /nfs/dbraw/zinc/20/76/21/914207621.db2.gz LPDOMZRKJYPDLU-AWEZNQCLSA-N 2 0 275.396 0.590 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001078229418 898304496 /nfs/dbraw/zinc/30/44/96/898304496.db2.gz GZZLWNXNKWBPJV-QLFBSQMISA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC)C1 ZINC001078412946 898375375 /nfs/dbraw/zinc/37/53/75/898375375.db2.gz LVBMEGGTXMNADW-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001327019834 914317862 /nfs/dbraw/zinc/31/78/62/914317862.db2.gz QHWQFROSTHFYQP-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP CC1([NH3+])CN(C(=O)C[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001157632752 899801967 /nfs/dbraw/zinc/80/19/67/899801967.db2.gz IANJJLFJGPVWID-ZDUSSCGKSA-N 2 0 272.352 0.378 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490569909 900668202 /nfs/dbraw/zinc/66/82/02/900668202.db2.gz LRYUQDBSLSWFAQ-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327602543 914647820 /nfs/dbraw/zinc/64/78/20/914647820.db2.gz FEQBQVYFAIMROX-HOCLYGCPSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001327670511 914695969 /nfs/dbraw/zinc/69/59/69/914695969.db2.gz WYNHPYONFNAMLA-CYBMUJFWSA-N 2 0 283.416 0.768 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490942134 903265007 /nfs/dbraw/zinc/26/50/07/903265007.db2.gz ULDKTTHLEPWGDZ-HDJSIYSDSA-N 2 0 295.427 0.910 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491170923 903417934 /nfs/dbraw/zinc/41/79/34/903417934.db2.gz YQFDJUSCVCYFPJ-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001491556569 903925928 /nfs/dbraw/zinc/92/59/28/903925928.db2.gz AJGAVLOKRSKPEX-ZFWWWQNUSA-N 2 0 295.427 0.910 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001331323604 903973157 /nfs/dbraw/zinc/97/31/57/903973157.db2.gz FWJKYDOZKVKMET-HNNXBMFYSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281529888 904299458 /nfs/dbraw/zinc/29/94/58/904299458.db2.gz CYMXABYCVUKCCV-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001281714068 904335643 /nfs/dbraw/zinc/33/56/43/904335643.db2.gz LSOIOGDQEJVOAU-YNEHKIRRSA-N 2 0 251.374 0.444 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#CCOC ZINC001282215203 904435519 /nfs/dbraw/zinc/43/55/19/904435519.db2.gz QQQGLAYPFYEJKI-UONOGXRCSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001283715738 904970617 /nfs/dbraw/zinc/97/06/17/904970617.db2.gz VVJOSCUIGKLVIY-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283822956 905037245 /nfs/dbraw/zinc/03/72/45/905037245.db2.gz DVXUHCBPXWWIGX-CHWSQXEVSA-N 2 0 271.405 0.215 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001382392793 907718689 /nfs/dbraw/zinc/71/86/89/907718689.db2.gz VTLSXVNQWXJPCT-NWDGAFQWSA-N 2 0 289.807 0.242 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317414228 908212634 /nfs/dbraw/zinc/21/26/34/908212634.db2.gz OMZHKFNSVLVTJH-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316744164 908564884 /nfs/dbraw/zinc/56/48/84/908564884.db2.gz MFDNIWKXRKYDDZ-HUUCEWRRSA-N 2 0 295.427 0.552 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001316759165 908681584 /nfs/dbraw/zinc/68/15/84/908681584.db2.gz QUSMPAIBMBMQFR-CABCVRRESA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[N@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316907418 908830849 /nfs/dbraw/zinc/83/08/49/908830849.db2.gz OCQDXQPDXWFNRU-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001317031880 908930557 /nfs/dbraw/zinc/93/05/57/908930557.db2.gz ZSOGCXBFPSULJZ-OLZOCXBDSA-N 2 0 251.374 0.444 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317064070 908953103 /nfs/dbraw/zinc/95/31/03/908953103.db2.gz CSJSNKBSOLUAOF-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317066860 908957598 /nfs/dbraw/zinc/95/75/98/908957598.db2.gz GCOGMDMGVPUQMZ-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001317266424 909100391 /nfs/dbraw/zinc/10/03/91/909100391.db2.gz WJJUESBWQRMODU-AWEZNQCLSA-N 2 0 297.443 0.708 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317341973 909151791 /nfs/dbraw/zinc/15/17/91/909151791.db2.gz WUIROXQFADBZCY-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317530092 909297257 /nfs/dbraw/zinc/29/72/57/909297257.db2.gz SYHNNDFRGFLGAK-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001317669363 909461211 /nfs/dbraw/zinc/46/12/11/909461211.db2.gz HHEZXRKLYLCNBN-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317808786 909506489 /nfs/dbraw/zinc/50/64/89/909506489.db2.gz HTQBCLCMRYYIMI-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001319774989 910290738 /nfs/dbraw/zinc/29/07/38/910290738.db2.gz QPYWAOUXSZBQMR-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]21 ZINC001320111287 910471975 /nfs/dbraw/zinc/47/19/75/910471975.db2.gz NUTKBHCYPPJVRW-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC#CC)CC1 ZINC001321417769 911287207 /nfs/dbraw/zinc/28/72/07/911287207.db2.gz VBHBEPUWSXCFMQ-SREVYHEPSA-N 2 0 287.407 0.617 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322033323 911628493 /nfs/dbraw/zinc/62/84/93/911628493.db2.gz TYFABLWPXZOGAT-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001329148890 915708950 /nfs/dbraw/zinc/70/89/50/915708950.db2.gz GNTOUNVECDICOR-STQMWFEESA-N 2 0 283.416 0.766 20 30 CCEDRP [NH3+]Cc1ccccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001329926496 916284626 /nfs/dbraw/zinc/28/46/26/916284626.db2.gz UGIIURHIGBNTRY-UHFFFAOYSA-N 2 0 271.364 0.765 20 30 CCEDRP C=CCO[C@H]1CC[N@@H+](C[C@@H](O)CN(C)CCOC)C1 ZINC001332839300 918472558 /nfs/dbraw/zinc/47/25/58/918472558.db2.gz BMYIHWNSQQTNAT-KBPBESRZSA-N 2 0 272.389 0.202 20 30 CCEDRP CCC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC001333338437 918819013 /nfs/dbraw/zinc/81/90/13/918819013.db2.gz YTQJPUZQIJHPKY-OAHLLOKOSA-N 2 0 286.379 0.861 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001335318370 920118044 /nfs/dbraw/zinc/11/80/44/920118044.db2.gz UVYWJWPKCOWZJE-CQSZACIVSA-N 2 0 282.432 0.514 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001340241927 922020480 /nfs/dbraw/zinc/02/04/80/922020480.db2.gz RRGPXMBOFMXQLU-CQSZACIVSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC001341716870 922641501 /nfs/dbraw/zinc/64/15/01/922641501.db2.gz KGVZIROWCBAWIK-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC001342124058 922816786 /nfs/dbraw/zinc/81/67/86/922816786.db2.gz BHYKECPUKNARHN-GJZGRUSLSA-N 2 0 289.354 0.610 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342129473 922821128 /nfs/dbraw/zinc/82/11/28/922821128.db2.gz MTLAOQQCXWXDCZ-WHOHXGKFSA-N 2 0 250.346 0.074 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001343443617 923320024 /nfs/dbraw/zinc/32/00/24/923320024.db2.gz ARIZODUSYSJENR-UHFFFAOYSA-N 2 0 277.343 0.597 20 30 CCEDRP CC1(C)CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001345491616 923905435 /nfs/dbraw/zinc/90/54/35/923905435.db2.gz VQCPIKYGBLKZKH-GFCCVEGCSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CC[NH+](C)CC1 ZINC001349825800 925070409 /nfs/dbraw/zinc/07/04/09/925070409.db2.gz YWJVKAZYJODOMC-KBPBESRZSA-N 2 0 295.431 0.150 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001349825816 925071310 /nfs/dbraw/zinc/07/13/10/925071310.db2.gz ZGPZAAMDWRGBDI-NKWVEPMBSA-N 2 0 252.240 0.013 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001355498695 926273243 /nfs/dbraw/zinc/27/32/43/926273243.db2.gz SEZDGGUNEPKIEC-NOOOWODRSA-N 2 0 250.346 0.407 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001448875857 931014864 /nfs/dbraw/zinc/01/48/64/931014864.db2.gz YOEIULVKCBWJMN-HUUCEWRRSA-N 2 0 294.443 0.341 20 30 CCEDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000332729560 529799207 /nfs/dbraw/zinc/79/92/07/529799207.db2.gz VDJVSIOPNKGTSQ-HZSPNIEDSA-N 2 0 278.400 0.950 20 30 CCEDRP CN1CCN(C)[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691624 350406304 /nfs/dbraw/zinc/40/63/04/350406304.db2.gz JHYQDBOMYKSLLS-LLVKDONJSA-N 2 0 264.398 0.955 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000592959555 360001787 /nfs/dbraw/zinc/00/17/87/360001787.db2.gz UMUQHPDUDBJIPQ-MJBXVCDLSA-N 2 0 294.399 0.065 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)[NH2+]1 ZINC000594426669 360301296 /nfs/dbraw/zinc/30/12/96/360301296.db2.gz QRQDWGJRCLGNQF-GRYCIOLGSA-N 2 0 252.362 0.606 20 30 CCEDRP C[C@@]1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCC[NH2+]C1 ZINC000594437905 360307692 /nfs/dbraw/zinc/30/76/92/360307692.db2.gz FYNWCAWIPKYBJU-TZMCWYRMSA-N 2 0 266.389 0.904 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000594442323 360310636 /nfs/dbraw/zinc/31/06/36/360310636.db2.gz PERNCEPGFMDIHQ-XQQFMLRXSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000598718519 361494291 /nfs/dbraw/zinc/49/42/91/361494291.db2.gz FRKLYMSVMMNFIW-LSDHHAIUSA-N 2 0 296.459 0.760 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638099859 374663403 /nfs/dbraw/zinc/66/34/03/374663403.db2.gz JXYIETHERDZNKF-CQSZACIVSA-N 2 0 267.373 0.132 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638103197 374667494 /nfs/dbraw/zinc/66/74/94/374667494.db2.gz ZHLCKRQUZYHEFU-HNNXBMFYSA-N 2 0 281.400 0.509 20 30 CCEDRP O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339782860 389139725 /nfs/dbraw/zinc/13/97/25/389139725.db2.gz ZRYWDIGFXOTBDE-IYBDPMFKSA-N 2 0 280.412 0.683 20 30 CCEDRP [NH2+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC1CC1 ZINC000262196125 389283007 /nfs/dbraw/zinc/28/30/07/389283007.db2.gz HOAJLMMRSRMFEU-OAHLLOKOSA-N 2 0 288.395 0.820 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)N1 ZINC000262624970 389290286 /nfs/dbraw/zinc/29/02/86/389290286.db2.gz DGALIJBJYOEYKK-DOMZBBRYSA-N 2 0 288.395 0.691 20 30 CCEDRP CN1CC[NH+]=C1NCc1ccnc(OCC[NH+](C)C)c1 ZINC000262682973 389293580 /nfs/dbraw/zinc/29/35/80/389293580.db2.gz XAEFVOPQDRYYGR-UHFFFAOYSA-N 2 0 277.372 0.413 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)nn(C)c1C ZINC000267475280 389372045 /nfs/dbraw/zinc/37/20/45/389372045.db2.gz ZDZGPZYLDVOEJC-CYBMUJFWSA-N 2 0 292.431 0.926 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]CC2)CC1 ZINC000417522790 389825729 /nfs/dbraw/zinc/82/57/29/389825729.db2.gz HLOAXOHGOCPHBK-UHFFFAOYSA-N 2 0 252.362 0.252 20 30 CCEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000442796271 389863029 /nfs/dbraw/zinc/86/30/29/389863029.db2.gz VTCAPWJNZUUELF-MGPQQGTHSA-N 2 0 278.400 0.856 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345698 389987300 /nfs/dbraw/zinc/98/73/00/389987300.db2.gz WKTWWGILBLOONT-QWHCGFSZSA-N 2 0 294.399 0.320 20 30 CCEDRP CC1CC[NH+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000580408110 390244495 /nfs/dbraw/zinc/24/44/95/390244495.db2.gz WBQDVIYGPSAHBU-INIZCTEOSA-N 2 0 296.459 0.904 20 30 CCEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644638525 390272300 /nfs/dbraw/zinc/27/23/00/390272300.db2.gz KODMOYMWYNDQGI-OAGGEKHMSA-N 2 0 297.443 0.166 20 30 CCEDRP C=CCOCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000645095065 390369944 /nfs/dbraw/zinc/36/99/44/390369944.db2.gz VOKNCPCXBWEWMH-OAHLLOKOSA-N 2 0 267.417 0.901 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662757126 414765242 /nfs/dbraw/zinc/76/52/42/414765242.db2.gz LEOYVQIPBRIUIO-HOCLYGCPSA-N 2 0 294.443 0.437 20 30 CCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000328832168 545019655 /nfs/dbraw/zinc/01/96/55/545019655.db2.gz VGHRKXLYPHJUAR-CQSZACIVSA-N 2 0 287.367 0.885 20 30 CCEDRP CCCCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000104175053 261289134 /nfs/dbraw/zinc/28/91/34/261289134.db2.gz WZHNHMLPMQUIGM-UHFFFAOYSA-N 2 0 255.410 0.328 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364581676 262254274 /nfs/dbraw/zinc/25/42/74/262254274.db2.gz QVTWWPNXOKFTFR-ZFWWWQNUSA-N 2 0 263.385 0.753 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)nn1C ZINC000283962892 263084924 /nfs/dbraw/zinc/08/49/24/263084924.db2.gz KPSMBMFGTXZXBW-GFCCVEGCSA-N 2 0 278.404 0.617 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357077275 266243263 /nfs/dbraw/zinc/24/32/63/266243263.db2.gz AMCIKNBAGNNEOV-OCCSQVGLSA-N 2 0 265.401 0.999 20 30 CCEDRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000562987876 327735604 /nfs/dbraw/zinc/73/56/04/327735604.db2.gz UJNHEBGSSOABJM-HNNXBMFYSA-N 2 0 282.432 0.514 20 30 CCEDRP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC2CC2)CCC[N@@H+]1C ZINC000262116174 328145128 /nfs/dbraw/zinc/14/51/28/328145128.db2.gz LDTRELNXYBOMKM-SMDDNHRTSA-N 2 0 290.415 0.870 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178769094 329200339 /nfs/dbraw/zinc/20/03/39/329200339.db2.gz KJVFBXBZCNZEMD-CYBMUJFWSA-N 2 0 251.374 0.895 20 30 CCEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262303971 330005124 /nfs/dbraw/zinc/00/51/24/330005124.db2.gz OIYQTPQCGZIGRV-CYBMUJFWSA-N 2 0 295.431 0.210 20 30 CCEDRP CN(C)C(=[NH+]CCN1CCC([NH+](C)C)CC1)N(C)C ZINC000262391408 330012460 /nfs/dbraw/zinc/01/24/60/330012460.db2.gz INYUCZGKMXIOEW-UHFFFAOYSA-N 2 0 269.437 0.492 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262471198 330015541 /nfs/dbraw/zinc/01/55/41/330015541.db2.gz OGSRZZJPPRMMTA-STQMWFEESA-N 2 0 290.415 0.587 20 30 CCEDRP CN(C)C(=[NH+]CC1([NH+](C)C)CCOCC1)N(C)C ZINC000262528895 330019710 /nfs/dbraw/zinc/01/97/10/330019710.db2.gz MKAOXQGXLBYVMK-UHFFFAOYSA-N 2 0 256.394 0.576 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@H]1CCN(C2CC2)C1 ZINC000262821976 330034230 /nfs/dbraw/zinc/03/42/30/330034230.db2.gz SRQRYPNZAIZONC-KBPBESRZSA-N 2 0 293.459 0.730 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000424164711 330308017 /nfs/dbraw/zinc/30/80/17/330308017.db2.gz DWZXCVACPXPUNR-GXTWGEPZSA-N 2 0 264.373 0.610 20 30 CCEDRP COCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424164894 330308504 /nfs/dbraw/zinc/30/85/04/330308504.db2.gz AKGZBGWDCPEEFF-GFCCVEGCSA-N 2 0 270.377 0.044 20 30 CCEDRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424174593 330314486 /nfs/dbraw/zinc/31/44/86/330314486.db2.gz MTJVRJXBXWTBHJ-NEPJUHHUSA-N 2 0 266.389 0.902 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000424179711 330318644 /nfs/dbraw/zinc/31/86/44/330318644.db2.gz TYUNZHCZPIASMC-JHJVBQTASA-N 2 0 266.389 0.889 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424194859 330324561 /nfs/dbraw/zinc/32/45/61/330324561.db2.gz MESUCQNMGBQURI-CHWSQXEVSA-N 2 0 272.352 0.924 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)OCCC[NH+](C)C)CC1 ZINC000491073130 332147194 /nfs/dbraw/zinc/14/71/94/332147194.db2.gz XZOGAXMQGXNKCS-UHFFFAOYSA-N 2 0 252.358 0.827 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](CC)C(C)C ZINC000491252922 332174847 /nfs/dbraw/zinc/17/48/47/332174847.db2.gz KJXXGHSFMJWZIS-UHFFFAOYSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000491652359 332265290 /nfs/dbraw/zinc/26/52/90/332265290.db2.gz AVDZBDXYUVAUAX-GFCCVEGCSA-N 2 0 254.378 0.368 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000491743671 332321852 /nfs/dbraw/zinc/32/18/52/332321852.db2.gz MQJXBDGSWXNDIV-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C[NH3+])CCCC ZINC000491745173 332323124 /nfs/dbraw/zinc/32/31/24/332323124.db2.gz NBOVAGXCXKYDHZ-CYBMUJFWSA-N 2 0 268.405 0.758 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000573207377 334917854 /nfs/dbraw/zinc/91/78/54/334917854.db2.gz RQAIZRXJGHQIGD-ILXRZTDVSA-N 2 0 293.411 0.602 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000580772300 335964784 /nfs/dbraw/zinc/96/47/84/335964784.db2.gz ZKAUHQWUZNXJKZ-LBPRGKRZSA-N 2 0 261.329 0.053 20 30 CCEDRP C=C(C)[C@H](CO)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000677221229 545361159 /nfs/dbraw/zinc/36/11/59/545361159.db2.gz HRMPNJZWERWUCG-AWEZNQCLSA-N 2 0 257.422 0.739 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N(C)C1CC1 ZINC000305823018 649880991 /nfs/dbraw/zinc/88/09/91/649880991.db2.gz PQWNYZGYNGYWIV-LBPRGKRZSA-N 2 0 256.394 0.752 20 30 CCEDRP OC[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1CO ZINC000792863476 581274398 /nfs/dbraw/zinc/27/43/98/581274398.db2.gz WKXSGUAGAQPGQP-HZPDHXFCSA-N 2 0 280.412 0.683 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000774106023 581959669 /nfs/dbraw/zinc/95/96/69/581959669.db2.gz ZBFQEWYGHGALLX-ZDUSSCGKSA-N 2 0 283.416 0.408 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000895057111 613074143 /nfs/dbraw/zinc/07/41/43/613074143.db2.gz RRJJGVQXSJWFSP-KGLIPLIRSA-N 2 0 278.400 0.287 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000876739023 613387995 /nfs/dbraw/zinc/38/79/95/613387995.db2.gz BKSHDFQTCDTICF-WDEREUQCSA-N 2 0 259.781 0.914 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458260 612962368 /nfs/dbraw/zinc/96/23/68/612962368.db2.gz NPRCWXJPLOMTPI-HUUCEWRRSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC000939808198 612968664 /nfs/dbraw/zinc/96/86/64/612968664.db2.gz CSDGZKNMLHRPPC-GDBMZVCRSA-N 2 0 287.407 0.401 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529045 612973136 /nfs/dbraw/zinc/97/31/36/612973136.db2.gz XPNDNEVCWNGSDU-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCOCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000851883760 612984678 /nfs/dbraw/zinc/98/46/78/612984678.db2.gz XMJZXYUAPPYBDH-HOTGVXAUSA-N 2 0 279.428 0.594 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744820 612996118 /nfs/dbraw/zinc/99/61/18/612996118.db2.gz HNROUYGBSPMNSU-ZDUSSCGKSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000838622816 613074367 /nfs/dbraw/zinc/07/43/67/613074367.db2.gz PAVYHNULTJUGDO-OAHLLOKOSA-N 2 0 290.411 0.597 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000895057113 613074560 /nfs/dbraw/zinc/07/45/60/613074560.db2.gz RRJJGVQXSJWFSP-ZIAGYGMSSA-N 2 0 278.400 0.287 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]C)CCC2)CC1 ZINC000863923102 613130050 /nfs/dbraw/zinc/13/00/50/613130050.db2.gz KDHAWLIVMMCTBS-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H](C)Cn2ccnc2)CC1 ZINC000905145250 613134948 /nfs/dbraw/zinc/13/49/48/613134948.db2.gz MLQUAPATYPHMGK-CYBMUJFWSA-N 2 0 289.383 0.668 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC000979080601 613308100 /nfs/dbraw/zinc/30/81/00/613308100.db2.gz SDWYRVRHUQHCCC-JONQDZQNSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961467446 613313138 /nfs/dbraw/zinc/31/31/38/613313138.db2.gz UQTMITULIDBFQQ-WDNDVIMCSA-N 2 0 275.396 0.540 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962552979 613344388 /nfs/dbraw/zinc/34/43/88/613344388.db2.gz FPDFRURSFJQMIG-NHAGDIPZSA-N 2 0 263.385 0.705 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000908418374 613364193 /nfs/dbraw/zinc/36/41/93/613364193.db2.gz MXUQXTALIKTVRS-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)CCOC ZINC000900517786 613364742 /nfs/dbraw/zinc/36/47/42/613364742.db2.gz MNSYLQQEOPPZFA-UHFFFAOYSA-N 2 0 257.378 0.189 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901135803 613364940 /nfs/dbraw/zinc/36/49/40/613364940.db2.gz VYFNSHIJIAUMJY-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000900061296 613365065 /nfs/dbraw/zinc/36/50/65/613365065.db2.gz TVKVUNUMSNRIBE-OAHLLOKOSA-N 2 0 297.443 0.967 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900808018 613365503 /nfs/dbraw/zinc/36/55/03/613365503.db2.gz XXZPUJMNZPIZKA-KGLIPLIRSA-N 2 0 282.432 0.245 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829241643 613365743 /nfs/dbraw/zinc/36/57/43/613365743.db2.gz FIZQIVNBUYWTGB-UHFFFAOYSA-N 2 0 295.427 0.675 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000837132585 613366403 /nfs/dbraw/zinc/36/64/03/613366403.db2.gz ABIDCEYQKIJHKE-UHFFFAOYSA-N 2 0 296.459 0.637 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838150739 613366585 /nfs/dbraw/zinc/36/65/85/613366585.db2.gz XLKALEDJPIBCCA-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000876869725 613389194 /nfs/dbraw/zinc/38/91/94/613389194.db2.gz CAULPLVTYQGYNN-GARJFASQSA-N 2 0 257.765 0.667 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000876919191 613389487 /nfs/dbraw/zinc/38/94/87/613389487.db2.gz SMOBMBJNFIPRRW-MIMYLULJSA-N 2 0 259.781 0.900 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387463 613390550 /nfs/dbraw/zinc/39/05/50/613390550.db2.gz ZEBYUYPZFAIUTO-NHCYSSNCSA-N 2 0 257.765 0.857 20 30 CCEDRP C=C[C@@H](C)ONC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000845631009 613444133 /nfs/dbraw/zinc/44/41/33/613444133.db2.gz OPLBOTPXARZPIB-GFCCVEGCSA-N 2 0 272.393 0.627 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000911880677 613472982 /nfs/dbraw/zinc/47/29/82/613472982.db2.gz ADOOLAFDGLFCLY-SDDRHHMPSA-N 2 0 255.362 0.245 20 30 CCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970876222 613486085 /nfs/dbraw/zinc/48/60/85/613486085.db2.gz DFQNMECQIODMGU-STQMWFEESA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970876061 613536811 /nfs/dbraw/zinc/53/68/11/613536811.db2.gz BTGXIVCIYXPGLJ-STQMWFEESA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969703264 613662382 /nfs/dbraw/zinc/66/23/82/613662382.db2.gz FWJOGHQMSKIGRG-YRGRVCCFSA-N 2 0 265.401 0.949 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900597940 613675216 /nfs/dbraw/zinc/67/52/16/613675216.db2.gz CNNDFNKHPKIWNA-MRXNPFEDSA-N 2 0 295.427 0.600 20 30 CCEDRP CCNC(NCC(=O)NCC[NH+]1CCCCCC1)=[NH+]CC ZINC000849030759 614420104 /nfs/dbraw/zinc/42/01/04/614420104.db2.gz NQOWTDVECALYKH-UHFFFAOYSA-N 2 0 297.447 0.554 20 30 CCEDRP CCCC[C@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884042712 614483033 /nfs/dbraw/zinc/48/30/33/614483033.db2.gz GSQBYTABNLFLRC-DNCHLWJUSA-N 2 0 278.400 0.759 20 30 CCEDRP CCC(CC)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884031702 614522812 /nfs/dbraw/zinc/52/28/12/614522812.db2.gz XWSMCFMNMACNON-LXVYMNJGSA-N 2 0 278.400 0.759 20 30 CCEDRP CC1(C)CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH2+]C1 ZINC000877153523 614559355 /nfs/dbraw/zinc/55/93/55/614559355.db2.gz IAOZWMIMDXBWQW-NWDGAFQWSA-N 2 0 266.389 0.902 20 30 CCEDRP CCC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852856311 614619837 /nfs/dbraw/zinc/61/98/37/614619837.db2.gz YPLGIMDHLZCLPZ-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484496 614906101 /nfs/dbraw/zinc/90/61/01/614906101.db2.gz JQRAMWRCXDNDMZ-QWHCGFSZSA-N 2 0 266.389 0.726 20 30 CCEDRP CC[NH+](CC)CCOCC[NH+]=C(N(C)C)N(C)C ZINC000849018466 614997999 /nfs/dbraw/zinc/99/79/99/614997999.db2.gz YPRRRVNIJYRMDU-UHFFFAOYSA-N 2 0 258.410 0.824 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(NC2CC2)=[NH+]C)CC1 ZINC000848986904 615161364 /nfs/dbraw/zinc/16/13/64/615161364.db2.gz KKAHDNIGZGQBBN-LBPRGKRZSA-N 2 0 267.421 0.340 20 30 CCEDRP CC[C@H](C[NH+]1CCCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852869127 615710032 /nfs/dbraw/zinc/71/00/32/615710032.db2.gz VSTQWGMMEZRUKW-OAHLLOKOSA-N 2 0 277.412 0.980 20 30 CCEDRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852872014 615976525 /nfs/dbraw/zinc/97/65/25/615976525.db2.gz ZXBVRTSSLZXBKT-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C[N@H+](CCc1cccc(C#N)c1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923415402 616124845 /nfs/dbraw/zinc/12/48/45/616124845.db2.gz GUEQTXUCQQENRQ-KKUMJFAQSA-N 2 0 259.353 0.883 20 30 CCEDRP C[N@@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852863321 616187928 /nfs/dbraw/zinc/18/79/28/616187928.db2.gz MLQZKQTYIHTBPP-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CCC1(C)C ZINC000877206729 616220181 /nfs/dbraw/zinc/22/01/81/616220181.db2.gz NZXCGAINSHNTMG-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]12 ZINC001026420558 625440407 /nfs/dbraw/zinc/44/04/07/625440407.db2.gz IZDNEKNAEFQDRR-QLFBSQMISA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838686 622790962 /nfs/dbraw/zinc/79/09/62/622790962.db2.gz WHCDCGUXYHMVLR-OKILXGFUSA-N 2 0 291.399 0.481 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023083821 622901936 /nfs/dbraw/zinc/90/19/36/622901936.db2.gz AKIGWUKIJXZKHT-RWMBFGLXSA-N 2 0 251.374 0.751 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157369531 622970577 /nfs/dbraw/zinc/97/05/77/622970577.db2.gz BPMCSHZZKZFJNA-NSHDSACASA-N 2 0 283.420 0.147 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703407 623107139 /nfs/dbraw/zinc/10/71/39/623107139.db2.gz JPVWOCGAUVIDSG-HNNXBMFYSA-N 2 0 289.423 0.934 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001023750010 623126657 /nfs/dbraw/zinc/12/66/57/623126657.db2.gz FCGSMJONJOCHFE-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023750011 623127970 /nfs/dbraw/zinc/12/79/70/623127970.db2.gz FCGSMJONJOCHFE-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001024803409 623447277 /nfs/dbraw/zinc/44/72/77/623447277.db2.gz HUDCQFUJGVIBNZ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020589977 624544335 /nfs/dbraw/zinc/54/43/35/624544335.db2.gz JCGNXJUOXORPKJ-XDQVBPFNSA-N 2 0 265.401 0.997 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261872720 624836015 /nfs/dbraw/zinc/83/60/15/624836015.db2.gz PGWGYOOYFLAYSZ-CHWSQXEVSA-N 2 0 268.405 0.944 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989670486 633342726 /nfs/dbraw/zinc/34/27/26/633342726.db2.gz YIQIVUIXXIHJKZ-UHFFFAOYSA-N 2 0 263.385 0.640 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008539631 650119454 /nfs/dbraw/zinc/11/94/54/650119454.db2.gz LREHTCGUTKXHBA-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C[C@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)CC[N@@H+]1C ZINC000913521657 636835768 /nfs/dbraw/zinc/83/57/68/636835768.db2.gz IOOZBKVCPHJQME-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996301451 638815063 /nfs/dbraw/zinc/81/50/63/638815063.db2.gz SYCPLYHPMHGFAO-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516910 638821425 /nfs/dbraw/zinc/82/14/25/638821425.db2.gz CIYCSKMLBOBEAY-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456126 650452750 /nfs/dbraw/zinc/45/27/50/650452750.db2.gz NIFCFUQVBQKHAS-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365688 638977927 /nfs/dbraw/zinc/97/79/27/638977927.db2.gz RHUQVKSAPUOTOL-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000999700144 638992458 /nfs/dbraw/zinc/99/24/58/638992458.db2.gz XMCMGYQHUFGDTE-UHFFFAOYSA-N 2 0 286.379 0.973 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000019531 639035844 /nfs/dbraw/zinc/03/58/44/639035844.db2.gz GMHLDASHMGVQRK-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000108401 639040216 /nfs/dbraw/zinc/04/02/16/639040216.db2.gz ZVRRGLVZLVNETE-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000685762 639151569 /nfs/dbraw/zinc/15/15/69/639151569.db2.gz AHKSDDLTZSZBNM-INIZCTEOSA-N 2 0 287.407 0.710 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC)C2)CC1 ZINC001000991177 639211537 /nfs/dbraw/zinc/21/15/37/639211537.db2.gz HCWJVDJDVIJWFY-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003629471 639580222 /nfs/dbraw/zinc/58/02/22/639580222.db2.gz BFAHGWNJKKBUJF-TZMCWYRMSA-N 2 0 263.385 0.398 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000923410542 640128146 /nfs/dbraw/zinc/12/81/46/640128146.db2.gz HNYMKBIIHJNNCE-VHDGCEQUSA-N 2 0 289.379 0.825 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001016534495 640212384 /nfs/dbraw/zinc/21/23/84/640212384.db2.gz AYNXXKOLDVNNMU-ZIAGYGMSSA-N 2 0 275.396 0.685 20 30 CCEDRP C[C@H](O)CN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814961923 641085900 /nfs/dbraw/zinc/08/59/00/641085900.db2.gz WGXQZLVOTCDFEA-ZDUSSCGKSA-N 2 0 276.384 0.743 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015822387 650635280 /nfs/dbraw/zinc/63/52/80/650635280.db2.gz HVHXHDZJMGSMAZ-CQSZACIVSA-N 2 0 291.399 0.435 20 30 CCEDRP C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CC[NH2+]CC1 ZINC000834484120 642574416 /nfs/dbraw/zinc/57/44/16/642574416.db2.gz DXWTWJJJIFQUSQ-WXHSDQCUSA-N 2 0 264.373 0.240 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000841849827 642843138 /nfs/dbraw/zinc/84/31/38/642843138.db2.gz LXNNTKYZHSWSHH-YUSALJHKSA-N 2 0 278.743 0.568 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000841849584 642843352 /nfs/dbraw/zinc/84/33/52/642843352.db2.gz BZWFSKQDXYEMPP-INWMFGNUSA-N 2 0 284.363 0.145 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCCCC[NH+]1CCOCC1 ZINC000852859404 644027794 /nfs/dbraw/zinc/02/77/94/644027794.db2.gz SOGSRVXSAUMBJP-UHFFFAOYSA-N 2 0 293.411 0.218 20 30 CCEDRP C[C@@H]1C[C@@H](C)N(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000852893335 644046908 /nfs/dbraw/zinc/04/69/08/644046908.db2.gz NZESPQWSGLCBRN-NFAWXSAZSA-N 2 0 277.412 0.821 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001019151336 650942056 /nfs/dbraw/zinc/94/20/56/650942056.db2.gz VHMKKFKCCVJPDI-ZDUSSCGKSA-N 2 0 268.320 0.772 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001019659911 650996878 /nfs/dbraw/zinc/99/68/78/650996878.db2.gz RMKSGYFYFOCQAP-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC[NH2+]C1 ZINC000867966719 645691537 /nfs/dbraw/zinc/69/15/37/645691537.db2.gz SZXVDJGLPJUDBM-TZMCWYRMSA-N 2 0 270.336 0.223 20 30 CCEDRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867972790 645694351 /nfs/dbraw/zinc/69/43/51/645694351.db2.gz KCVFYYHNZUDQFW-DOTOQJQBSA-N 2 0 298.390 0.942 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179058 651047176 /nfs/dbraw/zinc/04/71/76/651047176.db2.gz MLHZKJVZWIRHCD-TUVASFSCSA-N 2 0 293.411 0.663 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020288702 651056275 /nfs/dbraw/zinc/05/62/75/651056275.db2.gz HLIXXNIZMDQJIW-TUVASFSCSA-N 2 0 275.396 0.873 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000876869578 646686542 /nfs/dbraw/zinc/68/65/42/646686542.db2.gz HKRUGNYMROCZRC-NOLJZWGESA-N 2 0 298.390 0.989 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877273037 646775888 /nfs/dbraw/zinc/77/58/88/646775888.db2.gz BTEMAKHFFHSYLT-ZIAGYGMSSA-N 2 0 261.369 0.342 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877340710 646799604 /nfs/dbraw/zinc/79/96/04/646799604.db2.gz MJVHTJYXDVBYLY-HUUCEWRRSA-N 2 0 286.379 0.838 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884272329 647690625 /nfs/dbraw/zinc/69/06/25/647690625.db2.gz UXFYFMOKICCHOU-JSNYOYBASA-N 2 0 276.384 0.335 20 30 CCEDRP C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C[NH3+])C1 ZINC000884412206 647731667 /nfs/dbraw/zinc/73/16/67/647731667.db2.gz LDINIFPAQJMCRB-DYSQMVFPSA-N 2 0 290.411 0.712 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC1(C[NH3+])CCCCC1)C2 ZINC000884464066 647744317 /nfs/dbraw/zinc/74/43/17/647744317.db2.gz BXYHGZBMYGKUIJ-OWYJLGKBSA-N 2 0 290.411 0.904 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])N1CCOCC1 ZINC000303788019 649825092 /nfs/dbraw/zinc/82/50/92/649825092.db2.gz TUZSMBOGKQOJEX-CYBMUJFWSA-N 2 0 268.405 0.898 20 30 CCEDRP CC1CC[NH+](CCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303780437 649825195 /nfs/dbraw/zinc/82/51/95/649825195.db2.gz LIYHUSMOCUSFLB-UHFFFAOYSA-N 2 0 268.405 0.755 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)C(C)C ZINC000303790813 649825203 /nfs/dbraw/zinc/82/52/03/649825203.db2.gz WWSLEFJQWQVVMR-GFCCVEGCSA-N 2 0 283.420 0.147 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303781948 649825244 /nfs/dbraw/zinc/82/52/44/649825244.db2.gz MSXBBAVVJLRKPO-CQSZACIVSA-N 3 0 281.448 0.861 20 30 CCEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCC(O)CC2)C1 ZINC000303876893 649825890 /nfs/dbraw/zinc/82/58/90/649825890.db2.gz FCLTZNNHAFEMIU-ZDUSSCGKSA-N 2 0 282.432 0.880 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCC2CCC2)CC1 ZINC000303877565 649826243 /nfs/dbraw/zinc/82/62/43/649826243.db2.gz IROQAHJIEWIQFM-AWEZNQCLSA-N 2 0 295.475 0.964 20 30 CCEDRP CN1CC[NH+](CCCCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303884946 649826255 /nfs/dbraw/zinc/82/62/55/649826255.db2.gz JKSNBPLWLDEGII-UHFFFAOYSA-N 2 0 269.437 0.717 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000303969663 649827216 /nfs/dbraw/zinc/82/72/16/649827216.db2.gz BXSBETQNEZSYMH-KGLIPLIRSA-N 2 0 281.448 0.669 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306136 790478212 /nfs/dbraw/zinc/47/82/12/790478212.db2.gz DZGCZGGAFHOAIV-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266412227 790656648 /nfs/dbraw/zinc/65/66/48/790656648.db2.gz OUTJKQYOBSDGFG-AWEZNQCLSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266533691 790885554 /nfs/dbraw/zinc/88/55/54/790885554.db2.gz OHDWLAFOYOEGKT-UONOGXRCSA-N 2 0 265.401 0.952 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266965242 791403282 /nfs/dbraw/zinc/40/32/82/791403282.db2.gz SBKDGNJYRJTAGZ-GFCCVEGCSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267114354 791555556 /nfs/dbraw/zinc/55/55/56/791555556.db2.gz DBGVJDQJCJXOPC-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001278427467 807132909 /nfs/dbraw/zinc/13/29/09/807132909.db2.gz UXOXSOLEGOROGD-INIZCTEOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870038 806511990 /nfs/dbraw/zinc/51/19/90/806511990.db2.gz MSHHCWIKYXKKGG-UHFFFAOYSA-N 2 0 254.422 0.427 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001122412944 799227670 /nfs/dbraw/zinc/22/76/70/799227670.db2.gz YYBJHSGFRVVGDR-OCCSQVGLSA-N 2 0 264.373 0.752 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)Cc1ncc[nH]1)C1CCCC1 ZINC001278282080 806806269 /nfs/dbraw/zinc/80/62/69/806806269.db2.gz MEBFICZCDYGPHX-ZDUSSCGKSA-N 2 0 274.368 0.850 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150242340 800326704 /nfs/dbraw/zinc/32/67/04/800326704.db2.gz WAOMBAIQSSQSDF-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151814269 800461202 /nfs/dbraw/zinc/46/12/02/800461202.db2.gz GQFQMPNFSFDNSR-AWEZNQCLSA-N 2 0 281.400 0.379 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(C)C)CC1 ZINC001152329926 800511169 /nfs/dbraw/zinc/51/11/69/800511169.db2.gz FKLWFLMYHIFNPH-UHFFFAOYSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152480301 800528272 /nfs/dbraw/zinc/52/82/72/800528272.db2.gz PKXFQOGKZWKEQV-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP N#Cc1c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ncc2c1CCC[NH2+]C2 ZINC001155537629 801001197 /nfs/dbraw/zinc/00/11/97/801001197.db2.gz PUDVDRGMUUMOLW-MLGOLLRUSA-N 2 0 299.378 0.532 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036295 801557278 /nfs/dbraw/zinc/55/72/78/801557278.db2.gz BOEXDFIBAIIDLU-HUUCEWRRSA-N 2 0 277.412 0.980 20 30 CCEDRP N#Cc1ccc([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001159783147 801869415 /nfs/dbraw/zinc/86/94/15/801869415.db2.gz BVJXJLBNIBBBED-SECBINFHSA-N 2 0 250.262 0.297 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC[C@@H]1C#N ZINC001160635489 801984916 /nfs/dbraw/zinc/98/49/16/801984916.db2.gz AJUGWFOSGPFUSY-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412155 802147771 /nfs/dbraw/zinc/14/77/71/802147771.db2.gz GXEPMPVSJAXHCY-JJXSEGSLSA-N 2 0 298.390 0.624 20 30 CCEDRP C[NH2+]CCN(C)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001163716530 802598044 /nfs/dbraw/zinc/59/80/44/802598044.db2.gz BXJALJSCLOQVCG-UHFFFAOYSA-N 2 0 259.357 0.645 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536345 802758554 /nfs/dbraw/zinc/75/85/54/802758554.db2.gz RHTVOPCMKRKRRM-CQSZACIVSA-N 2 0 283.416 0.768 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777819 802864983 /nfs/dbraw/zinc/86/49/83/802864983.db2.gz YVGCMZRQEQNFNG-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677867 802937391 /nfs/dbraw/zinc/93/73/91/802937391.db2.gz OXNNCUDPARQTMS-AWEZNQCLSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334927 803506458 /nfs/dbraw/zinc/50/64/58/803506458.db2.gz OIMYFJXFLGDDCG-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001276656882 803616195 /nfs/dbraw/zinc/61/61/95/803616195.db2.gz SRRJLFXAYZGNKZ-OCCSQVGLSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929802 803706719 /nfs/dbraw/zinc/70/67/19/803706719.db2.gz LSCPJEXVENKRFU-ZIAGYGMSSA-N 2 0 283.416 0.718 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750075 803852696 /nfs/dbraw/zinc/85/26/96/803852696.db2.gz NVDBAVSWLSXBMO-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP C[N+](C)(C)C[C@@H](CC#N)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217865419 803921683 /nfs/dbraw/zinc/92/16/83/803921683.db2.gz JRKZVJGEKXNMBO-TUVASFSCSA-N 2 0 282.408 0.758 20 30 CCEDRP Cc1noc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1C#N ZINC001218503480 803969278 /nfs/dbraw/zinc/96/92/78/803969278.db2.gz NUVIWEMMGRMCQV-JTQLQIEISA-N 2 0 263.301 0.120 20 30 CCEDRP N#Cc1c(NC(=O)CNCCC[NH3+])sc2c1CC[NH2+]C2 ZINC001218552889 804001772 /nfs/dbraw/zinc/00/17/72/804001772.db2.gz LPKCONZCOIJLSI-UHFFFAOYSA-N 2 0 293.396 0.142 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219847936 804431228 /nfs/dbraw/zinc/43/12/28/804431228.db2.gz CORCMIAOWBIDOL-ILXRZTDVSA-N 2 0 297.443 0.700 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC(C)(C)S ZINC001220484461 804613748 /nfs/dbraw/zinc/61/37/48/804613748.db2.gz FTCNHYQDMQXFKY-JTQLQIEISA-N 2 0 261.435 0.870 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC1(C#N)CCOCC1 ZINC001220967202 804710978 /nfs/dbraw/zinc/71/09/78/804710978.db2.gz VNANUBRJMWSBBS-ZDUSSCGKSA-N 2 0 296.415 0.671 20 30 CCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220977827 804712871 /nfs/dbraw/zinc/71/28/71/804712871.db2.gz DGPMVFYFLFJJMA-ZNMIVQPWSA-N 2 0 295.427 0.598 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225448545 805130377 /nfs/dbraw/zinc/13/03/77/805130377.db2.gz NNXWTVMJRPMHSK-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C=C[C@](C)(O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246017985 807117744 /nfs/dbraw/zinc/11/77/44/807117744.db2.gz DXGKYNYJSYYABD-ZFWWWQNUSA-N 2 0 283.416 0.633 20 30 CCEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246569713 807294877 /nfs/dbraw/zinc/29/48/77/807294877.db2.gz SDCJOGQVPZAGBA-KCPJHIHWSA-N 2 0 259.353 0.883 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC001251891468 807737533 /nfs/dbraw/zinc/73/75/33/807737533.db2.gz TVYGKVVAKXBSQW-OAHLLOKOSA-N 2 0 268.401 0.853 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001252373868 807817596 /nfs/dbraw/zinc/81/75/96/807817596.db2.gz BMMOTXNLHXSBAE-BETUJISGSA-N 2 0 266.389 0.191 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278803924 808274733 /nfs/dbraw/zinc/27/47/33/808274733.db2.gz JJPOHJXXQZJEAP-KGLIPLIRSA-N 2 0 283.416 0.313 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882650 808425322 /nfs/dbraw/zinc/42/53/22/808425322.db2.gz LDFIUVQNQIBQEU-CABCVRRESA-N 2 0 297.443 0.655 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]1[NH3+] ZINC001261552490 809018688 /nfs/dbraw/zinc/01/86/88/809018688.db2.gz UAKOSSSSQKPAJY-UTUOFQBUSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076397483 815288165 /nfs/dbraw/zinc/28/81/65/815288165.db2.gz PDCOFOSJSWBODC-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001263848500 809586946 /nfs/dbraw/zinc/58/69/46/809586946.db2.gz VIOBJMYKLJKNAI-GASCZTMLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076567802 815311963 /nfs/dbraw/zinc/31/19/63/815311963.db2.gz JEDCDITZNYPMRA-RRFJBIMHSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265356097 809764099 /nfs/dbraw/zinc/76/40/99/809764099.db2.gz IJZFSLWVWBNANA-CVEARBPZSA-N 2 0 289.423 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265609555 809813748 /nfs/dbraw/zinc/81/37/48/809813748.db2.gz RRCWIQDBFPPMAW-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266184357 809956976 /nfs/dbraw/zinc/95/69/76/809956976.db2.gz HXSTVTWDJLRTAF-CHWSQXEVSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](F)C[NH+](CC)CC)CCC1 ZINC001280483274 810024633 /nfs/dbraw/zinc/02/46/33/810024633.db2.gz RKVSGRZEXYRUET-ZDUSSCGKSA-N 2 0 283.391 0.928 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001267338255 811173407 /nfs/dbraw/zinc/17/34/07/811173407.db2.gz SPCQBCRNNGUTOH-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267622032 811580036 /nfs/dbraw/zinc/58/00/36/811580036.db2.gz JAEPSQGVERAXOJ-OAHLLOKOSA-N 2 0 295.427 0.865 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267693224 811658460 /nfs/dbraw/zinc/65/84/60/811658460.db2.gz WWAUIBPUXPBUBA-ZDUSSCGKSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027931757 812148902 /nfs/dbraw/zinc/14/89/02/812148902.db2.gz KCWAMDKJWHAUKG-KBPBESRZSA-N 2 0 286.379 0.974 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001268226196 812382579 /nfs/dbraw/zinc/38/25/79/812382579.db2.gz FEQYVYGVASINOW-QWHCGFSZSA-N 2 0 251.374 0.302 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268305679 812469493 /nfs/dbraw/zinc/46/94/93/812469493.db2.gz SQDWKFMAZGIPJA-HUUCEWRRSA-N 2 0 297.443 0.892 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028266598 812532582 /nfs/dbraw/zinc/53/25/82/812532582.db2.gz XXQSCPFRRYNSCF-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268398378 812545462 /nfs/dbraw/zinc/54/54/62/812545462.db2.gz YWSZUKJNERKTOF-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP N#Cc1cc(F)cc(-c2noc([C@H]3C[NH2+]C[C@@H]3N)n2)c1 ZINC001211755401 812671260 /nfs/dbraw/zinc/67/12/60/812671260.db2.gz LCWFNFMSQWUDFY-QWRGUYRKSA-N 2 0 273.271 0.761 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268645987 812974258 /nfs/dbraw/zinc/97/42/58/812974258.db2.gz LQZFPIYKZUPZSR-OLZOCXBDSA-N 2 0 251.374 0.587 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001028636227 813073501 /nfs/dbraw/zinc/07/35/01/813073501.db2.gz MKZUEFQGFFZZAX-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)CC[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001268874455 813126759 /nfs/dbraw/zinc/12/67/59/813126759.db2.gz OSLMRDBAJHIAQS-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001270436295 813763061 /nfs/dbraw/zinc/76/30/61/813763061.db2.gz MKAIWFVIKPXFDD-QWHCGFSZSA-N 2 0 274.368 0.421 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001271894222 814623656 /nfs/dbraw/zinc/62/36/56/814623656.db2.gz SWYOLJWUPSSOSU-ZIAGYGMSSA-N 2 0 267.417 0.936 20 30 CCEDRP C=CCN1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001271988635 814666294 /nfs/dbraw/zinc/66/62/94/814666294.db2.gz WKHUFIITJPUXAA-OAHLLOKOSA-N 2 0 283.416 0.457 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000176492175 816609442 /nfs/dbraw/zinc/60/94/42/816609442.db2.gz ZPWDFNKTGZYLNO-CHWSQXEVSA-N 2 0 286.420 0.427 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354191 816866493 /nfs/dbraw/zinc/86/64/93/816866493.db2.gz KPVLAZPSDVDRCA-HUUCEWRRSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001031684532 817243420 /nfs/dbraw/zinc/24/34/20/817243420.db2.gz RRMXRQOGSBZRKH-LSDHHAIUSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031923161 817469152 /nfs/dbraw/zinc/46/91/52/817469152.db2.gz UTLISNMYAFSDLX-OAHLLOKOSA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785816 817866781 /nfs/dbraw/zinc/86/67/81/817866781.db2.gz QSGMUBYDYXRJCB-ZIAGYGMSSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212463028 818137539 /nfs/dbraw/zinc/13/75/39/818137539.db2.gz OUZJAQTXWQOIII-MGPQQGTHSA-N 2 0 281.400 0.165 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082581 818498703 /nfs/dbraw/zinc/49/87/03/818498703.db2.gz SAZKBDDUPRCOPH-HUUCEWRRSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033083252 818499839 /nfs/dbraw/zinc/49/98/39/818499839.db2.gz WJCAPBJTBARORW-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592072 818841532 /nfs/dbraw/zinc/84/15/32/818841532.db2.gz FOPRRSQKMIXFBE-AWEZNQCLSA-N 2 0 275.396 0.638 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034040928 819041836 /nfs/dbraw/zinc/04/18/36/819041836.db2.gz ZVXZBOFZRXJNKI-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CC[C@H](C#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000706013745 819596748 /nfs/dbraw/zinc/59/67/48/819596748.db2.gz WITORNPEFYWTLL-MGPQQGTHSA-N 2 0 280.416 0.734 20 30 CCEDRP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035852235 819632849 /nfs/dbraw/zinc/63/28/49/819632849.db2.gz RWPURKWMXMZJOK-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133490 820905533 /nfs/dbraw/zinc/90/55/33/820905533.db2.gz DTZWFRVXBGPTCJ-BFHYXJOUSA-N 2 0 281.400 0.472 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559043 820999836 /nfs/dbraw/zinc/99/98/36/820999836.db2.gz QPEWMGDJWGZEJS-MRVWCRGKSA-N 2 0 265.401 0.949 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001273308163 821596785 /nfs/dbraw/zinc/59/67/85/821596785.db2.gz HKFIMLPFEYPKGZ-KKUMJFAQSA-N 2 0 293.411 0.167 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973812 821677532 /nfs/dbraw/zinc/67/75/32/821677532.db2.gz JNEUUCNYRSICIN-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091927 822111570 /nfs/dbraw/zinc/11/15/70/822111570.db2.gz SNUFQVULSGAKHN-LJISPDSOSA-N 2 0 293.411 0.520 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326747 822127574 /nfs/dbraw/zinc/12/75/74/822127574.db2.gz BXODVLRVJSMPCB-HNNXBMFYSA-N 2 0 297.443 0.873 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130171111 837713901 /nfs/dbraw/zinc/71/39/01/837713901.db2.gz HCHQCMBOLGZEHA-UHFFFAOYSA-N 2 0 293.411 0.218 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130192490 837720395 /nfs/dbraw/zinc/72/03/95/837720395.db2.gz NRPDMERPLFQCSB-OLZOCXBDSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132424316 838388613 /nfs/dbraw/zinc/38/86/13/838388613.db2.gz FBHFWEYAOPNXFG-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132423585 838389243 /nfs/dbraw/zinc/38/92/43/838389243.db2.gz ARULLNSKOLGTNB-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133823677 838727352 /nfs/dbraw/zinc/72/73/52/838727352.db2.gz LZGWFGWFKBYTOP-CYBMUJFWSA-N 2 0 269.389 0.379 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584772 839014673 /nfs/dbraw/zinc/01/46/73/839014673.db2.gz WWIJUDBMRHKOLO-OLZOCXBDSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134759462 839065333 /nfs/dbraw/zinc/06/53/33/839065333.db2.gz PGSPYGFXXWPHGU-CYBMUJFWSA-N 2 0 251.374 0.588 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103261 839161375 /nfs/dbraw/zinc/16/13/75/839161375.db2.gz ZEBZWAWWTRMHFD-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185491775 844425142 /nfs/dbraw/zinc/42/51/42/844425142.db2.gz JMQDEQLWIKCYGG-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135861132 839447729 /nfs/dbraw/zinc/44/77/29/839447729.db2.gz MOHTVTBVIBUTRQ-HUUCEWRRSA-N 2 0 297.443 0.851 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135975694 839489375 /nfs/dbraw/zinc/48/93/75/839489375.db2.gz ASYSGAFYZSALGG-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090541774 839628596 /nfs/dbraw/zinc/62/85/96/839628596.db2.gz XYIBMJMCENIZLI-ZIAGYGMSSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186487720 844552907 /nfs/dbraw/zinc/55/29/07/844552907.db2.gz LYVWNIXOUHNESQ-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147823219 840692215 /nfs/dbraw/zinc/69/22/15/840692215.db2.gz CADBFNAFCJZCKP-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842120 840696917 /nfs/dbraw/zinc/69/69/17/840696917.db2.gz NVOSCIJKCRVQQU-UHFFFAOYSA-N 2 0 263.769 0.023 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895362 841626814 /nfs/dbraw/zinc/62/68/14/841626814.db2.gz HXEJHJLQFHZBHQ-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161863 842338015 /nfs/dbraw/zinc/33/80/15/842338015.db2.gz RYCGRKONZHMMCP-AWEZNQCLSA-N 2 0 281.400 0.074 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930068 842453072 /nfs/dbraw/zinc/45/30/72/842453072.db2.gz CVOJWOYEMWXSKJ-UHFFFAOYSA-N 2 0 295.427 0.608 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115074659 843138747 /nfs/dbraw/zinc/13/87/47/843138747.db2.gz QESUCOLLDYRBSY-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)n1cnc(C[NH3+])cc1=N ZINC001183080658 843960495 /nfs/dbraw/zinc/96/04/95/843960495.db2.gz WONIVLYCPHFSNA-UHFFFAOYSA-N 2 0 261.329 0.113 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001183091252 843961883 /nfs/dbraw/zinc/96/18/83/843961883.db2.gz AEBUQBCGRQRWIX-ZDUSSCGKSA-N 2 0 251.374 0.706 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189055059 845030504 /nfs/dbraw/zinc/03/05/04/845030504.db2.gz NSOLXBMCQYVAGI-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190666926 845448180 /nfs/dbraw/zinc/44/81/80/845448180.db2.gz PTWRLMBEIZIJIQ-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001193902812 846180083 /nfs/dbraw/zinc/18/00/83/846180083.db2.gz YCTSMZGFBIWTHY-RRFJBIMHSA-N 2 0 293.411 0.045 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194284699 846265097 /nfs/dbraw/zinc/26/50/97/846265097.db2.gz LYFCQXPJOMFNHF-OAHLLOKOSA-N 2 0 295.427 0.509 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312354 846955825 /nfs/dbraw/zinc/95/58/25/846955825.db2.gz SIKJXOQLEXBOBP-KGLIPLIRSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)CCCO1 ZINC001200858878 847694559 /nfs/dbraw/zinc/69/45/59/847694559.db2.gz IIHHGDJLLWNDPP-AWEZNQCLSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057162 847851588 /nfs/dbraw/zinc/85/15/88/847851588.db2.gz DMQWGPYCJIIIMS-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316173 847886190 /nfs/dbraw/zinc/88/61/90/847886190.db2.gz PFUCIMKRAKGKTI-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353222 848023210 /nfs/dbraw/zinc/02/32/10/848023210.db2.gz OFPCFAVJUAQZCJ-BARDWOONSA-N 2 0 295.402 0.736 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001274250695 848431425 /nfs/dbraw/zinc/43/14/25/848431425.db2.gz JKVRKLZLZZSBOV-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001274290026 848441456 /nfs/dbraw/zinc/44/14/56/848441456.db2.gz SBNSJSSIBWEPTC-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001275416312 848715721 /nfs/dbraw/zinc/71/57/21/848715721.db2.gz UVDMQLAGPIWWHW-UONOGXRCSA-N 2 0 295.427 0.603 20 30 CCEDRP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001275911638 848864664 /nfs/dbraw/zinc/86/46/64/848864664.db2.gz DVLJPSDFRFXIGD-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785598 850502500 /nfs/dbraw/zinc/50/25/00/850502500.db2.gz JBDYNEWUFWKMIB-RDJZCZTQSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046329984 851465939 /nfs/dbraw/zinc/46/59/39/851465939.db2.gz DROOTFRSCIMLHA-SQWLQELKSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cncn1C)C2 ZINC001096349982 851946344 /nfs/dbraw/zinc/94/63/44/851946344.db2.gz PERFVSSUMSOXPY-SNPRPXQTSA-N 2 0 286.379 0.707 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059191 852149582 /nfs/dbraw/zinc/14/95/82/852149582.db2.gz CLVOAUPTCSXQAI-JONQDZQNSA-N 2 0 289.423 0.598 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215331 852195553 /nfs/dbraw/zinc/19/55/53/852195553.db2.gz TUQMYBINSDDKCD-GASCZTMLSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234398 852200142 /nfs/dbraw/zinc/20/01/42/852200142.db2.gz DQHZMQGNPJKXHI-IYBDPMFKSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001096584970 852389969 /nfs/dbraw/zinc/38/99/69/852389969.db2.gz ZTNNWZZGMVVXGU-CBBWQLFWSA-N 2 0 291.395 0.062 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001052865614 852663381 /nfs/dbraw/zinc/66/33/81/852663381.db2.gz QDLZARCKAVQXCO-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938469 852674086 /nfs/dbraw/zinc/67/40/86/852674086.db2.gz YMVWNUUERZARRB-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001054748513 853006275 /nfs/dbraw/zinc/00/62/75/853006275.db2.gz NOJCRYQLFBKDRX-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072983096 854506938 /nfs/dbraw/zinc/50/69/38/854506938.db2.gz LAIWOFLGBLSVFI-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981224 854507206 /nfs/dbraw/zinc/50/72/06/854507206.db2.gz AYJYLYBCLPIIIM-GJZGRUSLSA-N 2 0 289.423 0.742 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971569 855056639 /nfs/dbraw/zinc/05/66/39/855056639.db2.gz JWQONOCUDBQXBD-UONOGXRCSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974047 855057356 /nfs/dbraw/zinc/05/73/56/855057356.db2.gz MNRXYAQQMPPOGE-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100423530 855164491 /nfs/dbraw/zinc/16/44/91/855164491.db2.gz MWCDUHFNEULWRK-RUXDESIVSA-N 2 0 265.401 0.690 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873216 855235551 /nfs/dbraw/zinc/23/55/51/855235551.db2.gz YHGMUUKIZBVZCY-IYXRBSQSSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047408 855411783 /nfs/dbraw/zinc/41/17/83/855411783.db2.gz GEKIWOSCWXZRAW-BPLDGKMQSA-N 2 0 277.412 0.644 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579714 855447857 /nfs/dbraw/zinc/44/78/57/855447857.db2.gz LMIHDVWRRIUHFJ-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001324261304 912745922 /nfs/dbraw/zinc/74/59/22/912745922.db2.gz PNMWZFRFDCUBMU-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC1(CNC(=O)[C@H]([NH3+])CCCC#N)CC[NH2+]CC1 ZINC001325825913 913595205 /nfs/dbraw/zinc/59/52/05/913595205.db2.gz LCZVKEIKXUXDHX-LLVKDONJSA-N 2 0 252.362 0.513 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481498147 892748119 /nfs/dbraw/zinc/74/81/19/892748119.db2.gz ODCWXIRPFVEVOV-LSDHHAIUSA-N 2 0 279.428 0.986 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001481503266 892751959 /nfs/dbraw/zinc/75/19/59/892751959.db2.gz GZZPUNGEFVUESM-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@@H]1[NH3+] ZINC001326115636 913754726 /nfs/dbraw/zinc/75/47/26/913754726.db2.gz LCQHAZHITVAVNB-GRYCIOLGSA-N 2 0 252.362 0.593 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482135510 893420676 /nfs/dbraw/zinc/42/06/76/893420676.db2.gz HMWLIEQVWDAWKH-GFCCVEGCSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001482235384 893626560 /nfs/dbraw/zinc/62/65/60/893626560.db2.gz CWUUXFBHXUGWEM-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266346 895399198 /nfs/dbraw/zinc/39/91/98/895399198.db2.gz IJRWRNZTAOGCQP-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001483735275 895944226 /nfs/dbraw/zinc/94/42/26/895944226.db2.gz OQXNXMHTJOJCAM-ZDUSSCGKSA-N 2 0 261.369 0.200 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001484355030 896355603 /nfs/dbraw/zinc/35/56/03/896355603.db2.gz NVWOGWQSGSHEGX-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484377845 896364593 /nfs/dbraw/zinc/36/45/93/896364593.db2.gz SZDCRAGKKIOXKP-UONOGXRCSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[NH2+]C1CCN(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001484423019 896389814 /nfs/dbraw/zinc/38/98/14/896389814.db2.gz WZZOKJVPLOFAFD-UHFFFAOYSA-N 2 0 294.443 0.132 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001484681797 896539678 /nfs/dbraw/zinc/53/96/78/896539678.db2.gz ZLNKHYWZZLTMIL-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)CC)CCOCC1 ZINC001484871536 896640001 /nfs/dbraw/zinc/64/00/01/896640001.db2.gz VRXMPRVYEGCMOB-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001485365954 896995186 /nfs/dbraw/zinc/99/51/86/896995186.db2.gz PQYDSVIVNUFCLT-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001485370288 897000922 /nfs/dbraw/zinc/00/09/22/897000922.db2.gz OPSCQGGAFUUVBK-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CCN1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485532484 897113295 /nfs/dbraw/zinc/11/32/95/897113295.db2.gz HJNZZDFZSHIDFT-STQMWFEESA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407482 897472450 /nfs/dbraw/zinc/47/24/50/897472450.db2.gz FOSADGPTMHRNFX-SOUVJXGZSA-N 2 0 275.396 0.799 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778533 897486735 /nfs/dbraw/zinc/48/67/35/897486735.db2.gz OYAKSWKVXHLZOW-HUUCEWRRSA-N 2 0 295.427 0.456 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203459255 897658095 /nfs/dbraw/zinc/65/80/95/897658095.db2.gz BCXLJAXASHCKEO-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP N#Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccn1 ZINC001205247575 897744539 /nfs/dbraw/zinc/74/45/39/897744539.db2.gz ITJDCTGEDLXFRF-AWEZNQCLSA-N 2 0 260.341 0.629 20 30 CCEDRP N#Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccn1 ZINC001205247578 897746566 /nfs/dbraw/zinc/74/65/66/897746566.db2.gz ITJDCTGEDLXFRF-CQSZACIVSA-N 2 0 260.341 0.629 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212434854 898171229 /nfs/dbraw/zinc/17/12/29/898171229.db2.gz LHZDYWHXFAQFGJ-KFWWJZLASA-N 2 0 295.427 0.411 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001486028423 898616915 /nfs/dbraw/zinc/61/69/15/898616915.db2.gz VMEUXROHUQZZOL-IHRRRGAJSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001486065348 898633547 /nfs/dbraw/zinc/63/35/47/898633547.db2.gz FWJOONLPOGDTSB-CYBMUJFWSA-N 2 0 269.389 0.115 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCF)CCC2)CC1 ZINC001326928421 914278235 /nfs/dbraw/zinc/27/82/35/914278235.db2.gz LXYFFUHFMNVCFL-UHFFFAOYSA-N 2 0 295.402 0.930 20 30 CCEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001486337961 898803042 /nfs/dbraw/zinc/80/30/42/898803042.db2.gz PUCSIIGCSMFSPK-SOUVJXGZSA-N 2 0 295.427 0.101 20 30 CCEDRP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001327017623 914316312 /nfs/dbraw/zinc/31/63/12/914316312.db2.gz JZEUVIRPPDOCTM-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001489219152 900450321 /nfs/dbraw/zinc/45/03/21/900450321.db2.gz PWBASBOLIKTFTM-OAHLLOKOSA-N 2 0 297.443 0.921 20 30 CCEDRP CC#CC[NH+](C)CCCNC(=O)C[N@@H+](C)CCC ZINC001490271026 900584723 /nfs/dbraw/zinc/58/47/23/900584723.db2.gz NFUFQKDIEQQJDM-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001280593194 900972095 /nfs/dbraw/zinc/97/20/95/900972095.db2.gz ABZZJTRITJOSDS-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001327575872 914629369 /nfs/dbraw/zinc/62/93/69/914629369.db2.gz DCQMDODRHQQKBW-ZBFHGGJFSA-N 2 0 293.411 0.047 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491070701 903332267 /nfs/dbraw/zinc/33/22/67/903332267.db2.gz XGWHQFCBHGKXLK-MELADBBJSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491178787 903423263 /nfs/dbraw/zinc/42/32/63/903423263.db2.gz GOMPBWSAFITWLD-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001331455173 903987961 /nfs/dbraw/zinc/98/79/61/903987961.db2.gz LDLXYIQNTFGLJW-CYBMUJFWSA-N 2 0 293.415 0.681 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CC ZINC001316605366 904139755 /nfs/dbraw/zinc/13/97/55/904139755.db2.gz HIKQPXBPWOVKJM-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001281163915 904237131 /nfs/dbraw/zinc/23/71/31/904237131.db2.gz RWMGRDFDONPKSM-HOCLYGCPSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001281459080 904289084 /nfs/dbraw/zinc/28/90/84/904289084.db2.gz SQSSBNMTFLPUDX-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317163297 904773332 /nfs/dbraw/zinc/77/33/32/904773332.db2.gz MFVGWVNLLINPMN-OAHLLOKOSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001284448980 905299283 /nfs/dbraw/zinc/29/92/83/905299283.db2.gz XPNXVCWVXCNSKN-CQSZACIVSA-N 2 0 297.443 0.397 20 30 CCEDRP CCC[NH2+]CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001333643383 906071961 /nfs/dbraw/zinc/07/19/61/906071961.db2.gz PINNXLAIFXTQIA-MBHSVXNSSA-N 2 0 264.373 0.242 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001298202153 907174412 /nfs/dbraw/zinc/17/44/12/907174412.db2.gz JXODXNMWVWAXCG-OLZOCXBDSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001317000510 908906703 /nfs/dbraw/zinc/90/67/03/908906703.db2.gz CSZMHAKGPWJFDZ-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317121752 908997724 /nfs/dbraw/zinc/99/77/24/908997724.db2.gz BXPQJVWWTAHMSG-GASCZTMLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318151032 909643953 /nfs/dbraw/zinc/64/39/53/909643953.db2.gz SQAFLYJWOWXMDU-CQSZACIVSA-N 2 0 265.401 0.644 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318257610 909680718 /nfs/dbraw/zinc/68/07/18/909680718.db2.gz PYYWSIOMLVUBRQ-GJZGRUSLSA-N 2 0 297.443 0.966 20 30 CCEDRP C#CCN1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318482617 909775056 /nfs/dbraw/zinc/77/50/56/909775056.db2.gz KOVJHRGYWZTGDG-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001319551236 910198504 /nfs/dbraw/zinc/19/85/04/910198504.db2.gz MYKCBNMUVMKNQB-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001320262712 910565529 /nfs/dbraw/zinc/56/55/29/910565529.db2.gz YLHXUWRUFKIZBD-HNNXBMFYSA-N 2 0 295.427 0.341 20 30 CCEDRP CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)[NH+](C)C ZINC001320463067 910683721 /nfs/dbraw/zinc/68/37/21/910683721.db2.gz DSUFMJOSSGRFKB-ZIAGYGMSSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320755123 910844223 /nfs/dbraw/zinc/84/42/23/910844223.db2.gz AQYIHOPGWFFLNV-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001321522981 911348501 /nfs/dbraw/zinc/34/85/01/911348501.db2.gz XIEYXIQYTGNACO-HZSPNIEDSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001328941184 915528834 /nfs/dbraw/zinc/52/88/34/915528834.db2.gz NYUCUZHBUQYYOB-UHFFFAOYSA-N 2 0 275.396 0.590 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001330422516 916619936 /nfs/dbraw/zinc/61/99/36/916619936.db2.gz CSNJTIQRWYUCFI-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001331837972 917653781 /nfs/dbraw/zinc/65/37/81/917653781.db2.gz NXAWQSKPUUKGBJ-CHWSQXEVSA-N 2 0 266.389 0.950 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001332217484 917964038 /nfs/dbraw/zinc/96/40/38/917964038.db2.gz HOQSUSGLRGVYFV-KGLIPLIRSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001332536956 918264671 /nfs/dbraw/zinc/26/46/71/918264671.db2.gz PJLPIXZPKMHWOB-CABCVRRESA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332647071 918349579 /nfs/dbraw/zinc/34/95/79/918349579.db2.gz HFQIQEXHXQLTIV-AWEZNQCLSA-N 2 0 295.427 0.245 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC001340115013 921963127 /nfs/dbraw/zinc/96/31/27/921963127.db2.gz ZQQZETZDUZWTIL-LSDHHAIUSA-N 2 0 296.459 0.812 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001340297403 922044701 /nfs/dbraw/zinc/04/47/01/922044701.db2.gz MGVFKOPORLXKAA-UONOGXRCSA-N 2 0 280.416 0.176 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001340908218 922269765 /nfs/dbraw/zinc/26/97/65/922269765.db2.gz RGWDVBDQCNVGSY-DMDPSCGWSA-N 2 0 252.362 0.225 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001341555725 922549739 /nfs/dbraw/zinc/54/97/39/922549739.db2.gz MRGABHXTVDDEJK-CQSZACIVSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC001343394288 923295302 /nfs/dbraw/zinc/29/53/02/923295302.db2.gz LKAKFRSWIGBJGC-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001348860960 924830353 /nfs/dbraw/zinc/83/03/53/924830353.db2.gz SHMKVDZWPGSGAI-AGIUHOORSA-N 2 0 266.389 0.806 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001349825818 925072988 /nfs/dbraw/zinc/07/29/88/925072988.db2.gz ZGPZAAMDWRGBDI-RQJHMYQMSA-N 2 0 252.240 0.013 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC001353883045 925953245 /nfs/dbraw/zinc/95/32/45/925953245.db2.gz RMMQWDRISAABLN-CQSZACIVSA-N 2 0 259.353 0.806 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001355903033 926323477 /nfs/dbraw/zinc/32/34/77/926323477.db2.gz BZENMRXUCVAMGR-AWEZNQCLSA-N 2 0 294.399 0.377 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001358300388 926668451 /nfs/dbraw/zinc/66/84/51/926668451.db2.gz CRKGEMGUFLZDAS-CYBMUJFWSA-N 2 0 294.399 0.379 20 30 CCEDRP COc1cc(C[N@H+](C)CCOCC[NH3+])ccc1C#N ZINC000600775271 362059918 /nfs/dbraw/zinc/05/99/18/362059918.db2.gz TWNBPIWVPDXFAF-UHFFFAOYSA-N 2 0 263.341 0.974 20 30 CCEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)n1)CN1CC[NH+](C)CC1 ZINC000602538235 362665679 /nfs/dbraw/zinc/66/56/79/362665679.db2.gz BHWNLMDGYDARNH-AWEZNQCLSA-N 2 0 287.411 0.926 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602534954 362664828 /nfs/dbraw/zinc/66/48/28/362664828.db2.gz WPZUGSGIVYWEGH-MNOVXSKESA-N 2 0 250.346 0.408 20 30 CCEDRP [NH2+]=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000066245393 348738436 /nfs/dbraw/zinc/73/84/36/348738436.db2.gz GNPZIVONIKHLOO-HNNXBMFYSA-N 2 0 288.395 0.472 20 30 CCEDRP CN(C)C(=[NH+]CCN1CCC[N@H+](C)CC1)N(C)C ZINC000261992360 352569113 /nfs/dbraw/zinc/56/91/13/352569113.db2.gz MMZGQFVFNTVMQT-UHFFFAOYSA-N 2 0 255.410 0.103 20 30 CCEDRP C=CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262093465 352577891 /nfs/dbraw/zinc/57/78/91/352577891.db2.gz LQIMQCHBAITSOF-UHFFFAOYSA-N 2 0 251.374 0.706 20 30 CCEDRP C=CCNC(=O)CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359221997 356787866 /nfs/dbraw/zinc/78/78/66/356787866.db2.gz PDKJWQDGZVPONH-UHFFFAOYSA-N 2 0 294.443 0.296 20 30 CCEDRP C[C@@](C[NH3+])(NC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594424430 360300197 /nfs/dbraw/zinc/30/01/97/360300197.db2.gz DJVMABIGOKQJHG-YPMHNXCESA-N 2 0 252.362 0.641 20 30 CCEDRP CC1(C)C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426621 360300707 /nfs/dbraw/zinc/30/07/07/360300707.db2.gz PXJBOJJHWNCTNO-NSHDSACASA-N 2 0 252.362 0.608 20 30 CCEDRP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435711 360304262 /nfs/dbraw/zinc/30/42/62/360304262.db2.gz IRHLNONQMNWAKE-GHMZBOCLSA-N 2 0 252.362 0.654 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437792 360305396 /nfs/dbraw/zinc/30/53/96/360305396.db2.gz FMYSXCZJDIPZAN-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)C[NH2+]1 ZINC000594439191 360308226 /nfs/dbraw/zinc/30/82/26/360308226.db2.gz PLWYPYAXKYBPFB-GRYCIOLGSA-N 2 0 252.362 0.606 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000594444273 360311134 /nfs/dbraw/zinc/31/11/34/360311134.db2.gz NNWCXMUDPWDIIG-AVGNSLFASA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000594443896 360311805 /nfs/dbraw/zinc/31/18/05/360311805.db2.gz IITHIYGJNISJAU-ZDUSSCGKSA-N 2 0 278.400 1.000 20 30 CCEDRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445166 360313456 /nfs/dbraw/zinc/31/34/56/360313456.db2.gz AZNYCTSQZFMXOA-NSHDSACASA-N 2 0 254.378 0.854 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC2CC1(C[NH3+])C2 ZINC000595944606 360722532 /nfs/dbraw/zinc/72/25/32/360722532.db2.gz ZOFOVIUIGBLJBP-QWKFWESOSA-N 2 0 250.346 0.347 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724265 361496978 /nfs/dbraw/zinc/49/69/78/361496978.db2.gz MYHCSRHYSFQMNB-GFCCVEGCSA-N 2 0 257.378 0.455 20 30 CCEDRP C=CCN1CCC([NH2+][C@H]2CCNC(=O)CC2)CC1 ZINC000634959822 372312195 /nfs/dbraw/zinc/31/21/95/372312195.db2.gz BZSRHGBYJWCHNP-GFCCVEGCSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CCC2C[NH2+]C2)CC1 ZINC000638099332 374662751 /nfs/dbraw/zinc/66/27/51/374662751.db2.gz GWGCCKQNZVOKNY-UHFFFAOYSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[C@@]1(C(=O)N(C)CCOCC[NH2+]C)CCC[NH2+]1 ZINC000638594158 375175821 /nfs/dbraw/zinc/17/58/21/375175821.db2.gz KAGSBIFWVPSUFI-AWEZNQCLSA-N 2 0 269.389 0.379 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+]2C)CCC[NH2+]1 ZINC000638537286 375124873 /nfs/dbraw/zinc/12/48/73/375124873.db2.gz YEOFNYSILZVQPD-OCCSQVGLSA-N 2 0 251.374 0.895 20 30 CCEDRP C[C@@H]1CC2(CN1C(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]CC2 ZINC000331657206 296294137 /nfs/dbraw/zinc/29/41/37/296294137.db2.gz OJOBMCDZYZKWDJ-OLZOCXBDSA-N 2 0 278.400 0.998 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OC ZINC000104164474 389079994 /nfs/dbraw/zinc/07/99/94/389079994.db2.gz YWLQGOXKOMQNGP-CYBMUJFWSA-N 2 0 291.399 0.979 20 30 CCEDRP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCCn1ccnc1 ZINC000130370558 389204640 /nfs/dbraw/zinc/20/46/40/389204640.db2.gz PVICOJXXLHSYHQ-ZDUSSCGKSA-N 2 0 277.372 0.966 20 30 CCEDRP CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000246317855 389227810 /nfs/dbraw/zinc/22/78/10/389227810.db2.gz FECXHQYRJWTBQK-KGLIPLIRSA-N 2 0 280.416 0.878 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c[nH]nc1C ZINC000262009362 389279635 /nfs/dbraw/zinc/27/96/35/389279635.db2.gz SQOILWBUKKWMJU-LBPRGKRZSA-N 2 0 264.377 0.607 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccccn1 ZINC000264060763 389303856 /nfs/dbraw/zinc/30/38/56/389303856.db2.gz CSHDGYRGUBDKLC-CYBMUJFWSA-N 2 0 290.415 0.882 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC[NH3+])C(C)C ZINC000417058376 389791950 /nfs/dbraw/zinc/79/19/50/389791950.db2.gz FOCGMPFMAIMJJM-CYBMUJFWSA-N 2 0 268.405 0.943 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH2+]CC)CC1 ZINC000417520121 389826174 /nfs/dbraw/zinc/82/61/74/389826174.db2.gz BTEJGQIXQQXKEA-UHFFFAOYSA-N 2 0 254.378 0.546 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390612 389996134 /nfs/dbraw/zinc/99/61/34/389996134.db2.gz ZLHPPZOCGOUKKB-NWANDNLSSA-N 2 0 295.427 0.895 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000491743667 390116436 /nfs/dbraw/zinc/11/64/36/390116436.db2.gz WOFKGARMEFFLPF-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000566125677 390582135 /nfs/dbraw/zinc/58/21/35/390582135.db2.gz UICIHXRXWSPDER-INIZCTEOSA-N 2 0 294.443 0.657 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814278 390589272 /nfs/dbraw/zinc/58/92/72/390589272.db2.gz MXZQLQDRQWHIBZ-UONOGXRCSA-N 2 0 293.411 0.461 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662755999 414766464 /nfs/dbraw/zinc/76/64/64/414766464.db2.gz GMQSMNRNVXZOTI-MRXNPFEDSA-N 2 0 294.443 0.438 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662780577 414787727 /nfs/dbraw/zinc/78/77/27/414787727.db2.gz QJSACASWZNSIKR-ZBFHGGJFSA-N 2 0 292.427 0.191 20 30 CCEDRP CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000329422564 545022640 /nfs/dbraw/zinc/02/26/40/545022640.db2.gz FTWIAGLRQODSPF-CQSZACIVSA-N 2 0 297.447 0.220 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)CC1 ZINC000491021310 261299980 /nfs/dbraw/zinc/29/99/80/261299980.db2.gz LOMZUHRKFGSBGT-OAHLLOKOSA-N 2 0 295.427 0.103 20 30 CCEDRP CN1CC[NH+]=C1NCc1ccncc1OCCC[NH+](C)C ZINC000288789377 263106079 /nfs/dbraw/zinc/10/60/79/263106079.db2.gz XKXSBCVNGZFLCN-UHFFFAOYSA-N 2 0 291.399 0.803 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000342140917 263391676 /nfs/dbraw/zinc/39/16/76/263391676.db2.gz YPJTYIKAYQNQCO-FZKCQIBNSA-N 2 0 280.412 0.395 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000571204388 328092133 /nfs/dbraw/zinc/09/21/33/328092133.db2.gz UZIICFPYGWXGRR-ZDUSSCGKSA-N 2 0 251.374 0.880 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914922 329072370 /nfs/dbraw/zinc/07/23/70/329072370.db2.gz MVGDHYXPRPUHKJ-UHFFFAOYSA-N 2 0 256.394 0.658 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000179197673 329205952 /nfs/dbraw/zinc/20/59/52/329205952.db2.gz VPAPMGRVJZPMCT-OAHLLOKOSA-N 2 0 280.416 0.770 20 30 CCEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262680832 330026476 /nfs/dbraw/zinc/02/64/76/330026476.db2.gz WEFCCDVKVNDAFE-STQMWFEESA-N 2 0 268.405 0.896 20 30 CCEDRP C[NH+]=C(NCC1(O)CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262753105 330029189 /nfs/dbraw/zinc/02/91/89/330029189.db2.gz AGXDSTSEVHFQOB-AWEZNQCLSA-N 2 0 292.427 0.813 20 30 CCEDRP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1CCN(C2CC2)C1 ZINC000262773538 330030534 /nfs/dbraw/zinc/03/05/34/330030534.db2.gz KKBUZMFVJHDJOV-GFCCVEGCSA-N 2 0 276.388 0.620 20 30 CCEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)N1CCOCC1 ZINC000262788326 330031530 /nfs/dbraw/zinc/03/15/30/330031530.db2.gz NIRAXMQSGWVVEL-UHFFFAOYSA-N 2 0 266.389 0.508 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424055857 330218319 /nfs/dbraw/zinc/21/83/19/330218319.db2.gz GFZHKAJOCAORPH-QJPTWQEYSA-N 2 0 252.362 0.736 20 30 CCEDRP CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC000424129338 330260084 /nfs/dbraw/zinc/26/00/84/330260084.db2.gz CZYZIXXEPHCVKS-ZDUSSCGKSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424138350 330276602 /nfs/dbraw/zinc/27/66/02/330276602.db2.gz UEZOVYOZJNEXOC-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000424157904 330305284 /nfs/dbraw/zinc/30/52/84/330305284.db2.gz RYTQQRZJNBDZTK-ZDUSSCGKSA-N 2 0 276.340 0.984 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000490575946 332093185 /nfs/dbraw/zinc/09/31/85/332093185.db2.gz ZQWVANKHGLODPE-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000491338041 332192384 /nfs/dbraw/zinc/19/23/84/332192384.db2.gz FUZTYEJFVVTFDM-KGLIPLIRSA-N 2 0 278.400 0.335 20 30 CCEDRP C#CC[NH+](C)CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000491460631 332215270 /nfs/dbraw/zinc/21/52/70/332215270.db2.gz ANCNVYNGNVRVKI-CQSZACIVSA-N 3 0 279.432 0.540 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000491464515 332216894 /nfs/dbraw/zinc/21/68/94/332216894.db2.gz RKEJFDLONBPNRR-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)CC1 ZINC000491504869 332224589 /nfs/dbraw/zinc/22/45/89/332224589.db2.gz JKNQJNXKBSURIT-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491537903 332232805 /nfs/dbraw/zinc/23/28/05/332232805.db2.gz UTDUKKRQMCFLFR-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491553497 332236092 /nfs/dbraw/zinc/23/60/92/332236092.db2.gz AJNJMEASQUGXMT-OAHLLOKOSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000491671722 332278558 /nfs/dbraw/zinc/27/85/58/332278558.db2.gz XHXMEIGOEVMEPX-OAHLLOKOSA-N 2 0 278.400 0.337 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000491678967 332283130 /nfs/dbraw/zinc/28/31/30/332283130.db2.gz CTSLIHLSWSMJQW-UHFFFAOYSA-N 2 0 283.441 0.543 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000491706235 332299080 /nfs/dbraw/zinc/29/90/80/332299080.db2.gz WWRMXNNDSFIUMA-HNNXBMFYSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000491735982 332316336 /nfs/dbraw/zinc/31/63/36/332316336.db2.gz CWJRBBSPQGJJQU-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC[C@H](C)C2)CC1 ZINC000491818224 332368519 /nfs/dbraw/zinc/36/85/19/332368519.db2.gz KNLRNCHKCSXGFI-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000581487187 336087877 /nfs/dbraw/zinc/08/78/77/336087877.db2.gz XSANDQXHVHBWCT-YPMHNXCESA-N 2 0 251.374 0.751 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354495529 526630798 /nfs/dbraw/zinc/63/07/98/526630798.db2.gz LPSJGOQWNAUOHG-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(OC)CCC1 ZINC000305843396 649884988 /nfs/dbraw/zinc/88/49/88/649884988.db2.gz HTJWIBFNJOXTPS-GFCCVEGCSA-N 2 0 268.405 0.944 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000774106021 581959642 /nfs/dbraw/zinc/95/96/42/581959642.db2.gz ZBFQEWYGHGALLX-CYBMUJFWSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000764056261 582029673 /nfs/dbraw/zinc/02/96/73/582029673.db2.gz KJUOFBRYZHILQM-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCSCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000896682078 613009058 /nfs/dbraw/zinc/00/90/58/613009058.db2.gz QQEKZCICPMPSMX-UHFFFAOYSA-N 2 0 271.430 0.305 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981310412 612957014 /nfs/dbraw/zinc/95/70/14/612957014.db2.gz BOCBBSPYMMUQNR-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981310410 612958635 /nfs/dbraw/zinc/95/86/35/612958635.db2.gz BOCBBSPYMMUQNR-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP CC(C)(C[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867963405 614088537 /nfs/dbraw/zinc/08/85/37/614088537.db2.gz LZZKLNGJZMYJKI-ZDUSSCGKSA-N 2 0 272.352 0.599 20 30 CCEDRP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430646 617300542 /nfs/dbraw/zinc/30/05/42/617300542.db2.gz DKDJOTYDBARYCV-MELADBBJSA-N 2 0 278.400 0.630 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000965064571 612954153 /nfs/dbraw/zinc/95/41/53/612954153.db2.gz QQZNGIGTROWDGG-HOUHCIJLSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979066615 613041315 /nfs/dbraw/zinc/04/13/15/613041315.db2.gz AMCRSURSNLUNEA-TUVASFSCSA-N 2 0 275.396 0.255 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960576201 613043469 /nfs/dbraw/zinc/04/34/69/613043469.db2.gz GTICWOCMVZOEFU-LJISPDSOSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891921067 613075686 /nfs/dbraw/zinc/07/56/86/613075686.db2.gz IZBLVKUWGPKUQS-UHFFFAOYSA-N 2 0 275.356 0.418 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000971687927 613080804 /nfs/dbraw/zinc/08/08/04/613080804.db2.gz QCPGIFIQBVBTJV-CQSZACIVSA-N 2 0 263.385 0.637 20 30 CCEDRP C#C[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875720445 613116918 /nfs/dbraw/zinc/11/69/18/613116918.db2.gz NCMKYIWWAAUHDN-BFHYXJOUSA-N 2 0 280.416 0.389 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)CC1 ZINC000816768125 613129760 /nfs/dbraw/zinc/12/97/60/613129760.db2.gz OBUIZRWDKBDMST-ZFWWWQNUSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000847183687 613130493 /nfs/dbraw/zinc/13/04/93/613130493.db2.gz UXASQOWIUFSMQI-OTVXOJSOSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC000831758059 613130591 /nfs/dbraw/zinc/13/05/91/613130591.db2.gz VHNXMRCOUSKNRK-HNNXBMFYSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000897470557 613134012 /nfs/dbraw/zinc/13/40/12/613134012.db2.gz GSFGCGNZNBJBLH-CQSZACIVSA-N 2 0 292.427 0.725 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925434240 613134434 /nfs/dbraw/zinc/13/44/34/613134434.db2.gz ZXQSVSVAGIUZRH-CYBMUJFWSA-N 2 0 264.373 0.087 20 30 CCEDRP C#CCNC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516436 613327626 /nfs/dbraw/zinc/32/76/26/613327626.db2.gz HYYWDCAQQSGJKE-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000970490498 613348099 /nfs/dbraw/zinc/34/80/99/613348099.db2.gz RMKSGYFYFOCQAP-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000912715415 613363599 /nfs/dbraw/zinc/36/35/99/613363599.db2.gz VXYSELVKUYLRSN-OAHLLOKOSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889745213 613364464 /nfs/dbraw/zinc/36/44/64/613364464.db2.gz RQQPHIZAUUJFMC-LSDHHAIUSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000900283053 613364980 /nfs/dbraw/zinc/36/49/80/613364980.db2.gz NJDHALFBYAYZSS-ZDUSSCGKSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000798282111 613366524 /nfs/dbraw/zinc/36/65/24/613366524.db2.gz GBRGNAQYUIWYRX-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000876856143 613388380 /nfs/dbraw/zinc/38/83/80/613388380.db2.gz JOBJKHWLWIPLHU-NXEZZACHSA-N 2 0 257.765 0.715 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877268564 613389749 /nfs/dbraw/zinc/38/97/49/613389749.db2.gz KNUIHGSWFFAILP-NSHDSACASA-N 2 0 289.807 0.731 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000876744966 613390622 /nfs/dbraw/zinc/39/06/22/613390622.db2.gz XMQRRDJSCLADDS-JTQLQIEISA-N 2 0 285.779 0.853 20 30 CCEDRP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970876221 613485942 /nfs/dbraw/zinc/48/59/42/613485942.db2.gz DFQNMECQIODMGU-QWHCGFSZSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970746975 613529862 /nfs/dbraw/zinc/52/98/62/613529862.db2.gz QPCDEDMBAGLXPQ-CYBMUJFWSA-N 2 0 275.396 0.542 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969677447 613536121 /nfs/dbraw/zinc/53/61/21/613536121.db2.gz OZGWLRJFDAQPDT-XJKSGUPXSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958415210 613565216 /nfs/dbraw/zinc/56/52/16/613565216.db2.gz QZSACERWONTDCP-RQJABVFESA-N 2 0 263.385 0.703 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407509 613612126 /nfs/dbraw/zinc/61/21/26/613612126.db2.gz YXJCSUCTBNGKBF-CYBMUJFWSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960048 613694426 /nfs/dbraw/zinc/69/44/26/613694426.db2.gz RKTOPNBNHIINET-KBPBESRZSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788588 613849604 /nfs/dbraw/zinc/84/96/04/613849604.db2.gz ANKLLWZOAKJVTQ-UHFFFAOYSA-N 2 0 296.415 0.695 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000932178411 614351743 /nfs/dbraw/zinc/35/17/43/614351743.db2.gz LOOFAYJNSKFSKQ-ZDUSSCGKSA-N 2 0 278.400 0.963 20 30 CCEDRP CCNC(NCCN(C)CCC[NH+](C)C)=[NH+]CC ZINC000849215078 614420592 /nfs/dbraw/zinc/42/05/92/614420592.db2.gz MBLWQAIEVSHOFP-UHFFFAOYSA-N 2 0 257.426 0.445 20 30 CCEDRP CC1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]CC1 ZINC000884247380 614895766 /nfs/dbraw/zinc/89/57/66/614895766.db2.gz RTXSDESRJFIVMC-MFOWVQHXSA-N 2 0 290.411 0.632 20 30 CCEDRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484494 614906798 /nfs/dbraw/zinc/90/67/98/614906798.db2.gz JQRAMWRCXDNDMZ-CHWSQXEVSA-N 2 0 266.389 0.726 20 30 CCEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929771172 614999086 /nfs/dbraw/zinc/99/90/86/614999086.db2.gz LODHXQWMKKTCHV-KGLIPLIRSA-N 2 0 269.389 0.694 20 30 CCEDRP CC[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1[NH3+] ZINC000852878753 615556602 /nfs/dbraw/zinc/55/66/02/615556602.db2.gz NXUBZXUBZZUSHD-KGLIPLIRSA-N 2 0 263.385 0.575 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000913524554 615857425 /nfs/dbraw/zinc/85/74/25/615857425.db2.gz RBHUPPNQOCGWPN-UHFFFAOYSA-N 2 0 287.407 0.842 20 30 CCEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)CC#N)C1 ZINC000929762011 616059690 /nfs/dbraw/zinc/05/96/90/616059690.db2.gz BGHFPDKWLOWUTE-UONOGXRCSA-N 2 0 251.374 0.925 20 30 CCEDRP C[N@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884201154 616090867 /nfs/dbraw/zinc/09/08/67/616090867.db2.gz RFTSMKBGBXCBPF-MQYJIDSJSA-N 2 0 276.384 0.336 20 30 CCEDRP C[N@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)C1CCC1 ZINC000863858240 616166110 /nfs/dbraw/zinc/16/61/10/616166110.db2.gz QFOICWWSSIYBGU-UHFFFAOYSA-N 2 0 264.373 0.575 20 30 CCEDRP C[NH2+]CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876507342 616946902 /nfs/dbraw/zinc/94/69/02/616946902.db2.gz BJVFNGMPFCZCQL-CQSZACIVSA-N 2 0 272.352 0.471 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026043658 625326171 /nfs/dbraw/zinc/32/61/71/625326171.db2.gz ADKDYSBMJOYULQ-BTFPBAQTSA-N 2 0 277.412 0.807 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]12 ZINC001026401871 625431662 /nfs/dbraw/zinc/43/16/62/625431662.db2.gz ZLVSRDOPKIKWGN-QLFBSQMISA-N 2 0 287.407 0.542 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023274185 622974367 /nfs/dbraw/zinc/97/43/67/622974367.db2.gz UWVQQWKFLLGDBW-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001023750012 623128342 /nfs/dbraw/zinc/12/83/42/623128342.db2.gz FCGSMJONJOCHFE-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236659626 623386909 /nfs/dbraw/zinc/38/69/09/623386909.db2.gz WIPGQPYQLGQQIL-ZDUSSCGKSA-N 2 0 283.441 0.848 20 30 CCEDRP CCNC(NC[C@H](C(C)C)N1CC[NH+](C)CC1)=[NH+]CC ZINC000066245100 623443375 /nfs/dbraw/zinc/44/33/75/623443375.db2.gz PAQCWTKNUQWXMT-CQSZACIVSA-N 2 0 283.464 0.833 20 30 CCEDRP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024801293 623448012 /nfs/dbraw/zinc/44/80/12/623448012.db2.gz MFNCPALKQMANPP-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCC)C2)CC1 ZINC001021090459 624658106 /nfs/dbraw/zinc/65/81/06/624658106.db2.gz WGQVKQFCCJELGE-SHTZXODSSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001022490762 625008382 /nfs/dbraw/zinc/00/83/82/625008382.db2.gz OQKVLASOJPMXTM-ZNMIVQPWSA-N 2 0 275.396 0.731 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989450803 633273272 /nfs/dbraw/zinc/27/32/72/633273272.db2.gz PYITVUJGAOMAMQ-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC(O)CC1 ZINC000086834763 633373261 /nfs/dbraw/zinc/37/32/61/633373261.db2.gz GSVVGZHBCAPOKK-UHFFFAOYSA-N 2 0 270.421 0.797 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001009205562 650140181 /nfs/dbraw/zinc/14/01/81/650140181.db2.gz APZNJYSWNYXLAE-ZDUSSCGKSA-N 2 0 274.368 0.567 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995551903 638776238 /nfs/dbraw/zinc/77/62/38/638776238.db2.gz OTZQTBPRXBEUPL-STQMWFEESA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301198 638815100 /nfs/dbraw/zinc/81/51/00/638815100.db2.gz RVSQZZDBJPCCTR-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334181 650556288 /nfs/dbraw/zinc/55/62/88/650556288.db2.gz GYWDFQXIRFLVFL-MYMJJRTCSA-N 2 0 291.395 0.226 20 30 CCEDRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834494145 642583810 /nfs/dbraw/zinc/58/38/10/642583810.db2.gz KRRDXSDDIYPZJA-ZWKOPEQDSA-N 2 0 258.325 0.548 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000834504715 642590300 /nfs/dbraw/zinc/59/03/00/642590300.db2.gz DTHZOQYCXCBQAB-AAEUAGOBSA-N 2 0 262.357 0.089 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001016931663 650772395 /nfs/dbraw/zinc/77/23/95/650772395.db2.gz UBFQRGXBRZYHOO-CQSZACIVSA-N 2 0 287.407 0.686 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000852827431 644013686 /nfs/dbraw/zinc/01/36/86/644013686.db2.gz IYQKYEPCDVUZBM-LZWOXQAQSA-N 2 0 298.390 0.907 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000852870982 644034672 /nfs/dbraw/zinc/03/46/72/644034672.db2.gz SOWYIRUHDBQULW-MRXNPFEDSA-N 2 0 289.423 0.934 20 30 CCEDRP CC(C)(C)[C@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852889109 644044238 /nfs/dbraw/zinc/04/42/38/644044238.db2.gz BVNBUWPNMVGCFP-LBPRGKRZSA-N 2 0 251.374 0.479 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852891845 644046037 /nfs/dbraw/zinc/04/60/37/644046037.db2.gz ZIFZVESWILDXJP-HOTGVXAUSA-N 2 0 289.423 0.980 20 30 CCEDRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC000852896178 644049026 /nfs/dbraw/zinc/04/90/26/644049026.db2.gz UYYLDUUHNLBCHU-HOCLYGCPSA-N 2 0 275.396 0.577 20 30 CCEDRP C[C@@H](CCNC(=O)C#CC1CC[NH2+]CC1)[NH+](C)C ZINC000852902607 644051430 /nfs/dbraw/zinc/05/14/30/644051430.db2.gz JYCSYADUROWGAX-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001020354892 651062833 /nfs/dbraw/zinc/06/28/33/651062833.db2.gz INKQELYCTLAHND-JOCQHMNTSA-N 2 0 268.320 0.818 20 30 CCEDRP C[C@H]1C(=NNCCCN2CCOCC2)CCN1C ZINC000872371210 646251887 /nfs/dbraw/zinc/25/18/87/646251887.db2.gz JJDXLRSPCYKFCZ-LBPRGKRZSA-N 2 0 254.378 0.378 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C2 ZINC000884237536 647674723 /nfs/dbraw/zinc/67/47/23/647674723.db2.gz FYZHHBDDLCZPMP-LZPVFFGRSA-N 2 0 288.395 0.479 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C2 ZINC000884267491 647688861 /nfs/dbraw/zinc/68/88/61/647688861.db2.gz GXYNLJWVNKTLRW-DPWYMPPLSA-N 2 0 276.384 0.512 20 30 CCEDRP C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1C[NH3+] ZINC000884341151 647712629 /nfs/dbraw/zinc/71/26/29/647712629.db2.gz TUIORLCJIXYAKN-AYVTUFRQSA-N 2 0 290.411 0.569 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@H]3CCC[C@@]3([NH3+])C1)C2 ZINC000884426944 647734939 /nfs/dbraw/zinc/73/49/39/647734939.db2.gz ZFMBXSFIFRZYCI-XZDVRVLQSA-N 2 0 288.395 0.466 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CC[NH2+]C13CCC3)C2 ZINC000884431498 647735452 /nfs/dbraw/zinc/73/54/52/647735452.db2.gz WADWUHMYDXPWGS-FMPXUHTOSA-N 2 0 288.395 0.527 20 30 CCEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])N2CCOCC2)C[C@H](C)O1 ZINC000303792008 649825503 /nfs/dbraw/zinc/82/55/03/649825503.db2.gz YCBBRHMTOHVRQR-BETUJISGSA-N 2 0 284.404 0.133 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])NC[C@H]1CCC[NH+]1CC)C1CC1 ZINC000303971360 649827192 /nfs/dbraw/zinc/82/71/92/649827192.db2.gz DLSRXGOBPOVAOD-CQSZACIVSA-N 3 0 281.448 0.859 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC(C)(C)C)CCOCC1 ZINC000304741921 649837511 /nfs/dbraw/zinc/83/75/11/649837511.db2.gz CJOSTCIDARYTHG-UHFFFAOYSA-N 2 0 256.394 0.800 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208264489 790418812 /nfs/dbraw/zinc/41/88/12/790418812.db2.gz MNSBVPFANBFPFL-KBPBESRZSA-N 2 0 283.391 0.880 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266562387 790933068 /nfs/dbraw/zinc/93/30/68/790933068.db2.gz ZIGMOLLDVHNVHY-LSDHHAIUSA-N 2 0 295.427 0.413 20 30 CCEDRP C#CCC[N@@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001266609491 791019792 /nfs/dbraw/zinc/01/97/92/791019792.db2.gz OSEQTLQZMDLNOA-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CC2)CC1 ZINC001266993703 791428263 /nfs/dbraw/zinc/42/82/63/791428263.db2.gz DEAQYMXTTNQCNR-CYBMUJFWSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001267041880 791473915 /nfs/dbraw/zinc/47/39/15/791473915.db2.gz SRMFWFLFBVHNIL-SOUVJXGZSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267086777 791521721 /nfs/dbraw/zinc/52/17/21/791521721.db2.gz QNABVBMMXPVPRA-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001267109315 791550348 /nfs/dbraw/zinc/55/03/48/791550348.db2.gz GIFRVPINQDNSNG-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCn1ccnc1 ZINC001277907829 806313143 /nfs/dbraw/zinc/31/31/43/806313143.db2.gz CYJNFVXINWNWEQ-AWEZNQCLSA-N 2 0 274.368 0.877 20 30 CCEDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCCC#N)C[C@H]21 ZINC001277945333 806424836 /nfs/dbraw/zinc/42/48/36/806424836.db2.gz WTEXOHZKUHQNPR-KGLIPLIRSA-N 2 0 266.389 0.237 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC#CCOC ZINC001277974797 806510214 /nfs/dbraw/zinc/51/02/14/806510214.db2.gz XLCREJWTHAIICQ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235868995 806510783 /nfs/dbraw/zinc/51/07/83/806510783.db2.gz DNJZGVAOTCALTD-UHFFFAOYSA-N 2 0 286.423 0.252 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278078571 806653579 /nfs/dbraw/zinc/65/35/79/806653579.db2.gz XLKRTILQRXZYOA-ZIAGYGMSSA-N 2 0 283.416 0.502 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001278106436 806676910 /nfs/dbraw/zinc/67/69/10/806676910.db2.gz ZEFOPEIBTFVLHV-GJZGRUSLSA-N 2 0 295.427 0.197 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCOCC1 ZINC001122171057 799160600 /nfs/dbraw/zinc/16/06/00/799160600.db2.gz AGOPHGYXLYYYMB-NSHDSACASA-N 2 0 255.362 0.294 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCC[NH2+]CC1 ZINC001122495075 799248522 /nfs/dbraw/zinc/24/85/22/799248522.db2.gz NVGLLELTMIKDCL-AWEZNQCLSA-N 2 0 263.385 0.495 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240060 800324395 /nfs/dbraw/zinc/32/43/95/800324395.db2.gz AXMFEJJHTATLSY-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001150663586 800357325 /nfs/dbraw/zinc/35/73/25/800357325.db2.gz MOBOTAYIHXVZPA-CYBMUJFWSA-N 2 0 292.383 0.654 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439595 800521363 /nfs/dbraw/zinc/52/13/63/800521363.db2.gz OROYKOMPHGOAOE-UHFFFAOYSA-N 2 0 292.221 0.941 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156058423 801103289 /nfs/dbraw/zinc/10/32/89/801103289.db2.gz YBWKGSXEXOQDJJ-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390468 801160362 /nfs/dbraw/zinc/16/03/62/801160362.db2.gz NIGITNINZDKCDX-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159154985 801765207 /nfs/dbraw/zinc/76/52/07/801765207.db2.gz GHIVMUGHNVOFKR-GFCCVEGCSA-N 2 0 257.353 0.395 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932371 801892841 /nfs/dbraw/zinc/89/28/41/801892841.db2.gz PVJVQNASUKKIOA-CQSZACIVSA-N 2 0 283.416 0.625 20 30 CCEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160514278 801957567 /nfs/dbraw/zinc/95/75/67/801957567.db2.gz SSTKPIOMPROQHW-CVEARBPZSA-N 2 0 298.390 0.811 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)CC[NH2+]1 ZINC001161017114 802061430 /nfs/dbraw/zinc/06/14/30/802061430.db2.gz GEWRZQXRQXDMQJ-WQVCFCJDSA-N 2 0 298.390 0.682 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872638 802431726 /nfs/dbraw/zinc/43/17/26/802431726.db2.gz ZBAOIQXMPVDRPU-NPCAHTBFSA-N 2 0 293.411 0.522 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007725 811804059 /nfs/dbraw/zinc/80/40/59/811804059.db2.gz DTPNTHGPSPIKEW-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166694065 802941409 /nfs/dbraw/zinc/94/14/09/802941409.db2.gz VCXZQDODDXYWTO-CHWSQXEVSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001166744138 802955787 /nfs/dbraw/zinc/95/57/87/802955787.db2.gz JLQFOSNITVUMJZ-UHFFFAOYSA-N 2 0 253.390 0.693 20 30 CCEDRP C=CCc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206468903 803249367 /nfs/dbraw/zinc/24/93/67/803249367.db2.gz LVXLGFRNWCAGSN-UONOGXRCSA-N 2 0 262.353 0.872 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641303 803428204 /nfs/dbraw/zinc/42/82/04/803428204.db2.gz GAGYMVSRUOYONO-MCIONIFRSA-N 2 0 265.401 0.642 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207702916 803438772 /nfs/dbraw/zinc/43/87/72/803438772.db2.gz ALNBZQKIEIICKM-JHJVBQTASA-N 2 0 251.374 0.396 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414163 803513553 /nfs/dbraw/zinc/51/35/53/803513553.db2.gz IXYMZLURAGOYDC-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208445142 803514264 /nfs/dbraw/zinc/51/42/64/803514264.db2.gz TWGKAMONYPNTCW-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211276417 803675810 /nfs/dbraw/zinc/67/58/10/803675810.db2.gz GGRQIDDYSPKKSL-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP CC(C)(C#N)c1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001218582672 804020193 /nfs/dbraw/zinc/02/01/93/804020193.db2.gz YUBHPRDVKQOGQI-NSHDSACASA-N 2 0 275.356 0.887 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218623849 804041002 /nfs/dbraw/zinc/04/10/02/804041002.db2.gz CDXRVXSLAXIANK-SNVBAGLBSA-N 2 0 293.396 0.309 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218980523 804172507 /nfs/dbraw/zinc/17/25/07/804172507.db2.gz FKCGTGVYLUUHOY-NSHDSACASA-N 2 0 275.356 0.995 20 30 CCEDRP COc1cccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1C#N ZINC001218979215 804172758 /nfs/dbraw/zinc/17/27/58/804172758.db2.gz ZPFQRUIHLOMSPU-JTQLQIEISA-N 2 0 262.313 0.572 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218979734 804173399 /nfs/dbraw/zinc/17/33/99/804173399.db2.gz WOKIRRHGSNCCEZ-JTQLQIEISA-N 2 0 294.380 0.525 20 30 CCEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219315069 804267925 /nfs/dbraw/zinc/26/79/25/804267925.db2.gz QOTKNSMKKJFWHB-SECBINFHSA-N 2 0 292.289 0.584 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830508 804429553 /nfs/dbraw/zinc/42/95/53/804429553.db2.gz YJXGLCPEFFLNLU-KFWWJZLASA-N 2 0 295.427 0.598 20 30 CCEDRP N#C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001220094750 804497282 /nfs/dbraw/zinc/49/72/82/804497282.db2.gz HEBZIZLICCKDII-DCAQKATOSA-N 2 0 270.402 0.204 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220290230 804564562 /nfs/dbraw/zinc/56/45/62/804564562.db2.gz SLVHGIPFBHGEGU-HZSPNIEDSA-N 2 0 283.416 0.310 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755138 804660616 /nfs/dbraw/zinc/66/06/16/804660616.db2.gz DOTXQCZNXSWHPK-KFWWJZLASA-N 2 0 295.427 0.456 20 30 CCEDRP N#Cc1cnc(CNC(=O)[C@@H]([NH3+])CCCC[NH3+])s1 ZINC001220872587 804682751 /nfs/dbraw/zinc/68/27/51/804682751.db2.gz ZTVPPOMNEPTLBE-VIFPVBQESA-N 2 0 267.358 0.087 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220865947 804684178 /nfs/dbraw/zinc/68/41/78/804684178.db2.gz OJVZOLVMLFCTTH-AWEZNQCLSA-N 2 0 256.309 0.572 20 30 CCEDRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437540 804816124 /nfs/dbraw/zinc/81/61/24/804816124.db2.gz WEVGZYHHGAEYCL-CABCVRRESA-N 2 0 294.443 0.971 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223604403 804980844 /nfs/dbraw/zinc/98/08/44/804980844.db2.gz HHVLJMOMDOSRKL-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001277033532 805121710 /nfs/dbraw/zinc/12/17/10/805121710.db2.gz OOLQEIKQWDBATB-HDJSIYSDSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225442501 805128693 /nfs/dbraw/zinc/12/86/93/805128693.db2.gz LLLNVWHJQHCGSZ-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001245996822 807110061 /nfs/dbraw/zinc/11/00/61/807110061.db2.gz HFLWSJJRNZLFIS-MJBXVCDLSA-N 2 0 254.374 0.944 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246312436 807218134 /nfs/dbraw/zinc/21/81/34/807218134.db2.gz OTUFUXALZAXDJS-MJBXVCDLSA-N 2 0 283.416 0.943 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001246513190 807270373 /nfs/dbraw/zinc/27/03/73/807270373.db2.gz QRUBNWCLOYLBJB-TUAOUCFPSA-N 2 0 252.362 0.512 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001278486769 807462716 /nfs/dbraw/zinc/46/27/16/807462716.db2.gz JKMQTWLCVATUFX-SOUVJXGZSA-N 2 0 277.412 0.788 20 30 CCEDRP C[C@H](CCNC(=O)NCC#CC[NH+](C)C)[NH+](C)C ZINC001251707755 807695903 /nfs/dbraw/zinc/69/59/03/807695903.db2.gz FLCDIGHRGQBMBF-GFCCVEGCSA-N 2 0 254.378 0.191 20 30 CCEDRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001251708751 807696658 /nfs/dbraw/zinc/69/66/58/807696658.db2.gz XJRIDUKGXLVEDO-AWEZNQCLSA-N 2 0 280.416 0.723 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001251888669 807736373 /nfs/dbraw/zinc/73/63/73/807736373.db2.gz YBNKUONGOPXMIT-HNNXBMFYSA-N 2 0 284.400 0.088 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001252464319 807875217 /nfs/dbraw/zinc/87/52/17/807875217.db2.gz WXBDNUSRCYQYAO-HZSPNIEDSA-N 2 0 254.374 0.433 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252470377 807881708 /nfs/dbraw/zinc/88/17/08/807881708.db2.gz KITXKWORDZMIMB-KGLIPLIRSA-N 2 0 254.374 0.578 20 30 CCEDRP C=C[C@@](C)(O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252560310 807910610 /nfs/dbraw/zinc/91/06/10/807910610.db2.gz QXVDYUYNOKZVGP-CQSZACIVSA-N 2 0 269.389 0.019 20 30 CCEDRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])c1ccc(F)cn1 ZINC001253206553 808031920 /nfs/dbraw/zinc/03/19/20/808031920.db2.gz PMKITTGDBNCIHC-LLVKDONJSA-N 2 0 268.336 0.629 20 30 CCEDRP C=C[C@H](O)CN(CCC[NH+](C)C)CCC[NH+](C)C ZINC001253580834 808088455 /nfs/dbraw/zinc/08/84/55/808088455.db2.gz ZPRDJIDSLBMDNU-AWEZNQCLSA-N 2 0 257.422 0.739 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278803923 808274669 /nfs/dbraw/zinc/27/46/69/808274669.db2.gz JJPOHJXXQZJEAP-KBPBESRZSA-N 2 0 283.416 0.313 20 30 CCEDRP C#CCNCC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC001263101231 809442766 /nfs/dbraw/zinc/44/27/66/809442766.db2.gz MHPIOPHBQSKTRG-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP COCC#CC[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265058140 809701760 /nfs/dbraw/zinc/70/17/60/809701760.db2.gz JYTDPMUFJZBIHJ-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001265259923 809734960 /nfs/dbraw/zinc/73/49/60/809734960.db2.gz QCXCBYTXLNHVID-OAHLLOKOSA-N 2 0 294.443 0.391 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265785742 809852232 /nfs/dbraw/zinc/85/22/32/809852232.db2.gz GWPCVZWIOTUADW-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001266169177 809953268 /nfs/dbraw/zinc/95/32/68/809953268.db2.gz SGAYQUKXIKHIOH-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267726184 811693240 /nfs/dbraw/zinc/69/32/40/811693240.db2.gz VLJBPWIVAVLURW-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267769900 811767462 /nfs/dbraw/zinc/76/74/62/811767462.db2.gz DWPLNZDICDSVQM-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001268010958 811949171 /nfs/dbraw/zinc/94/91/71/811949171.db2.gz RTMZLLOHDLNGBO-QWHCGFSZSA-N 2 0 253.390 0.692 20 30 CCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027891904 812124599 /nfs/dbraw/zinc/12/45/99/812124599.db2.gz KNQMMEISDWKWOK-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268226194 812382281 /nfs/dbraw/zinc/38/22/81/812382281.db2.gz FEQYVYGVASINOW-CHWSQXEVSA-N 2 0 251.374 0.302 20 30 CCEDRP N#Cc1cc(NC(=[NH2+])NCCCC[NH3+])cnc1F ZINC001167881600 812401426 /nfs/dbraw/zinc/40/14/26/812401426.db2.gz JLXHAZZCOGVGNU-UHFFFAOYSA-N 2 0 250.281 0.768 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075619637 812474131 /nfs/dbraw/zinc/47/41/31/812474131.db2.gz KIENXJALHARWLM-RRFJBIMHSA-N 2 0 275.396 0.637 20 30 CCEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001028263318 812529493 /nfs/dbraw/zinc/52/94/93/812529493.db2.gz OMGPFEDZLVAABA-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001268403708 812548280 /nfs/dbraw/zinc/54/82/80/812548280.db2.gz KXRCUQVZMSWHOB-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028316626 812615213 /nfs/dbraw/zinc/61/52/13/812615213.db2.gz SCDVGZWMPMOTLP-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001268674797 812995910 /nfs/dbraw/zinc/99/59/10/812995910.db2.gz ZQRJFEAFMDGGRR-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCOC ZINC001268734102 813050459 /nfs/dbraw/zinc/05/04/59/813050459.db2.gz RRJHHINCQYZGJX-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001268910801 813141196 /nfs/dbraw/zinc/14/11/96/813141196.db2.gz DQCVXZXNYZFJAK-UHFFFAOYSA-N 2 0 251.374 0.706 20 30 CCEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269071628 813207773 /nfs/dbraw/zinc/20/77/73/813207773.db2.gz NHDKUAJIVNPPGZ-BNOWGMLFSA-N 2 0 265.401 0.997 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001269544429 813410034 /nfs/dbraw/zinc/41/00/34/813410034.db2.gz GCNRDIVDNDJYLH-UHFFFAOYSA-N 2 0 273.380 0.203 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799454 814217565 /nfs/dbraw/zinc/21/75/65/814217565.db2.gz VTEULEYQIMABOI-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088013987 814311483 /nfs/dbraw/zinc/31/14/83/814311483.db2.gz CBBOQEWNWHAZQY-PMPSAXMXSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC ZINC001272033317 814765673 /nfs/dbraw/zinc/76/56/73/814765673.db2.gz KQFXRGYDVNARFX-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001272271366 815987744 /nfs/dbraw/zinc/98/77/44/815987744.db2.gz KMDCIGRIOGSSJE-OAHLLOKOSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001046217786 816443634 /nfs/dbraw/zinc/44/36/34/816443634.db2.gz HVINSESKPDMZNH-DZGCQCFKSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255346 816465854 /nfs/dbraw/zinc/46/58/54/816465854.db2.gz IVFXRFLFVHPRAW-UONOGXRCSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127262658 816535405 /nfs/dbraw/zinc/53/54/05/816535405.db2.gz PGBAUFBCJKFUHQ-ZIAGYGMSSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001272552601 816575696 /nfs/dbraw/zinc/57/56/96/816575696.db2.gz HMHNUTODUDTMMV-HNNXBMFYSA-N 2 0 295.427 0.197 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689052 817244710 /nfs/dbraw/zinc/24/47/10/817244710.db2.gz QQJONMAHOOXASF-GJZGRUSLSA-N 2 0 293.411 0.474 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106905793 817300904 /nfs/dbraw/zinc/30/09/04/817300904.db2.gz HVQHPJDREXRQAX-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675103 817980001 /nfs/dbraw/zinc/98/00/01/817980001.db2.gz ASTNQQFDRYXHRQ-BFHYXJOUSA-N 2 0 281.400 0.208 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001033684309 818885655 /nfs/dbraw/zinc/88/56/55/818885655.db2.gz LXJCSGPPCKGIOA-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128784308 819014575 /nfs/dbraw/zinc/01/45/75/819014575.db2.gz LPBOSQUQJFQIAP-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095707 820893472 /nfs/dbraw/zinc/89/34/72/820893472.db2.gz FBYQQXKBBZZCAC-HUUCEWRRSA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953518 821163047 /nfs/dbraw/zinc/16/30/47/821163047.db2.gz VSNAYFNSEPNFSD-MJBXVCDLSA-N 2 0 281.400 0.066 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001273358431 821923229 /nfs/dbraw/zinc/92/32/29/821923229.db2.gz FEOAFPRSVFGERN-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001086084677 822107718 /nfs/dbraw/zinc/10/77/18/822107718.db2.gz AXMVIOLUIJOUJW-ZNMIVQPWSA-N 2 0 277.412 0.977 20 30 CCEDRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC)[NH+](C)C ZINC001155289171 822111397 /nfs/dbraw/zinc/11/13/97/822111397.db2.gz MPVWAAKNVFSQIG-CABCVRRESA-N 2 0 297.443 0.803 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001086261949 822181746 /nfs/dbraw/zinc/18/17/46/822181746.db2.gz AXZIKAVWKDFOQB-LZWOXQAQSA-N 2 0 275.396 0.590 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100063858 822208685 /nfs/dbraw/zinc/20/86/85/822208685.db2.gz DYWTWVAHRFMLFL-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100077268 822237148 /nfs/dbraw/zinc/23/71/48/822237148.db2.gz ZPHHNOOJRKHVNB-LSDHHAIUSA-N 2 0 295.427 0.293 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129839437 837572504 /nfs/dbraw/zinc/57/25/04/837572504.db2.gz ACUFDRFBTQCYJS-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550294 836862278 /nfs/dbraw/zinc/86/22/78/836862278.db2.gz CKCDPCNVUHUILR-AVGNSLFASA-N 2 0 251.374 0.609 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cncc2C)C[C@@H]1C ZINC001184810966 844290111 /nfs/dbraw/zinc/29/01/11/844290111.db2.gz SYOOASFOHVJLNJ-DZGCQCFKSA-N 2 0 288.395 0.899 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893358 838514804 /nfs/dbraw/zinc/51/48/04/838514804.db2.gz NZIHILMAEWTTQE-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780383 839073093 /nfs/dbraw/zinc/07/30/93/839073093.db2.gz DFFHGLPTCXWJQM-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086734393 839256658 /nfs/dbraw/zinc/25/66/58/839256658.db2.gz FWPOQDIYVZTQLB-ZNMIVQPWSA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650095 844442222 /nfs/dbraw/zinc/44/22/22/844442222.db2.gz CJIHCMNLFCKZJZ-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP CCc1nnc(N[C@H]([NH3+])CCC[NH3+])c(C#N)c1CC ZINC001170896579 839540904 /nfs/dbraw/zinc/54/09/04/839540904.db2.gz HRRUORUZRGLCGF-LBPRGKRZSA-N 2 0 262.361 0.909 20 30 CCEDRP CCc1nc(C#N)c(N[C@@H]([NH3+])CCC[NH3+])nc1Cl ZINC001170899529 839548278 /nfs/dbraw/zinc/54/82/78/839548278.db2.gz VMUCEFQSOGGLLQ-SECBINFHSA-N 2 0 268.752 1.000 20 30 CCEDRP COC(=O)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1CC#N ZINC001170905825 839557903 /nfs/dbraw/zinc/55/79/03/839557903.db2.gz WMDUIYALTXPIFZ-CYBMUJFWSA-N 2 0 276.340 0.975 20 30 CCEDRP N#Cc1ccc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c2c1 ZINC001159778819 839574569 /nfs/dbraw/zinc/57/45/69/839574569.db2.gz ASWNKULOCWOSKK-GFCCVEGCSA-N 2 0 256.313 0.937 20 30 CCEDRP N#Cc1nc(Cl)c(N[C@@H]([NH3+])CCC[NH3+])nc1C#N ZINC001159785770 839577900 /nfs/dbraw/zinc/57/79/00/839577900.db2.gz SRXCIIDBWPAWRV-MRVPVSSYSA-N 2 0 265.708 0.309 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246019919 839582325 /nfs/dbraw/zinc/58/23/25/839582325.db2.gz JBNPXOTZVRZKMF-BFHYXJOUSA-N 2 0 254.374 0.304 20 30 CCEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001185715687 844452346 /nfs/dbraw/zinc/45/23/46/844452346.db2.gz ITZNHONPDXTOEA-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090574772 839653669 /nfs/dbraw/zinc/65/36/69/839653669.db2.gz WZCYGSCXHXSYOX-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090764288 839785831 /nfs/dbraw/zinc/78/58/31/839785831.db2.gz QVKMUVFMBBYZSD-OCCSQVGLSA-N 2 0 292.383 0.388 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171228150 840156697 /nfs/dbraw/zinc/15/66/97/840156697.db2.gz SJYDCLXAHWJALB-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001091364604 840187259 /nfs/dbraw/zinc/18/72/59/840187259.db2.gz KFESHPYURVMYCL-ROKHWSDSSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735049 841064152 /nfs/dbraw/zinc/06/41/52/841064152.db2.gz NWNWROXVPVZSAG-KFWWJZLASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203337535 841775131 /nfs/dbraw/zinc/77/51/31/841775131.db2.gz KOQDJNVVLRZZFA-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP CC1(C#N)CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001173591867 842115354 /nfs/dbraw/zinc/11/53/54/842115354.db2.gz VHLJUZKAMUOLLW-UHFFFAOYSA-N 2 0 284.364 0.597 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176855527 842448662 /nfs/dbraw/zinc/44/86/62/842448662.db2.gz BJPHEXUTTJJKTK-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCOC)CC1 ZINC001176926797 842452515 /nfs/dbraw/zinc/45/25/15/842452515.db2.gz VNHICHZVQDMBHV-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179967494 843096530 /nfs/dbraw/zinc/09/65/30/843096530.db2.gz CQLADLZUPANPKV-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180132046 843104031 /nfs/dbraw/zinc/10/40/31/843104031.db2.gz UFYWDWOEKQEZKJ-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001187982542 844812743 /nfs/dbraw/zinc/81/27/43/844812743.db2.gz MGECOVWVEXTYMD-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191019436 845565655 /nfs/dbraw/zinc/56/56/55/845565655.db2.gz MFCBGIBXJXBGDV-ZDUSSCGKSA-N 2 0 265.401 0.883 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193821525 846160173 /nfs/dbraw/zinc/16/01/73/846160173.db2.gz MJUFEKUDDMJWBQ-HUUCEWRRSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001748 846201769 /nfs/dbraw/zinc/20/17/69/846201769.db2.gz KDVPATGBVAMNQE-CABCVRRESA-N 2 0 295.427 0.673 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002292 846202027 /nfs/dbraw/zinc/20/20/27/846202027.db2.gz QSXPFAIFBRUMCC-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197791242 846963712 /nfs/dbraw/zinc/96/37/12/846963712.db2.gz DOTXQCZNXSWHPK-RBSFLKMASA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001273766331 847118610 /nfs/dbraw/zinc/11/86/10/847118610.db2.gz XQWVVXBRFGFNMF-OKILXGFUSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001203925877 847224926 /nfs/dbraw/zinc/22/49/26/847224926.db2.gz XKTPCTPCDGXMGL-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001251894444 847410258 /nfs/dbraw/zinc/41/02/58/847410258.db2.gz UDRIJYFGWWKBNP-APIJFGDWSA-N 2 0 266.385 0.602 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200122090 847553404 /nfs/dbraw/zinc/55/34/04/847553404.db2.gz BFLWFEMVNQBUSY-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200124194 847554507 /nfs/dbraw/zinc/55/45/07/847554507.db2.gz ZPXCSDJODGQBQV-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273880299 847721815 /nfs/dbraw/zinc/72/18/15/847721815.db2.gz ABHBEMLPHLMMNF-MGPQQGTHSA-N 2 0 281.400 0.160 20 30 CCEDRP C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273880298 847721871 /nfs/dbraw/zinc/72/18/71/847721871.db2.gz ABHBEMLPHLMMNF-BFHYXJOUSA-N 2 0 281.400 0.160 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201430776 847779603 /nfs/dbraw/zinc/77/96/03/847779603.db2.gz RQOOXRDZCYWFOO-KGLIPLIRSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCCO1 ZINC001201924520 847838304 /nfs/dbraw/zinc/83/83/04/847838304.db2.gz NRSWHVZAJXFUMR-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202059410 847851520 /nfs/dbraw/zinc/85/15/20/847851520.db2.gz PAVFGFRAQBFIKH-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202503006 848002343 /nfs/dbraw/zinc/00/23/43/848002343.db2.gz IAZPGMSJMUITGN-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCF ZINC001274098166 848348339 /nfs/dbraw/zinc/34/83/39/848348339.db2.gz ZDSPSIJKHSVHSG-XGACYXMMSA-N 2 0 281.375 0.706 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001274296726 848442394 /nfs/dbraw/zinc/44/23/94/848442394.db2.gz FUWHMPWRTDSEKD-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274878183 848582983 /nfs/dbraw/zinc/58/29/83/848582983.db2.gz TUNZAERSGZCNTH-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001274986261 848608111 /nfs/dbraw/zinc/60/81/11/848608111.db2.gz OWQSKQROIDZIST-CYBMUJFWSA-N 2 0 281.400 0.379 20 30 CCEDRP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275836094 848839789 /nfs/dbraw/zinc/83/97/89/848839789.db2.gz RDCVTROMKVPCSX-RRFJBIMHSA-N 2 0 297.443 0.966 20 30 CCEDRP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276003802 848887947 /nfs/dbraw/zinc/88/79/47/848887947.db2.gz UGGVYFAPHRTOFP-GJZGRUSLSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277455 849148211 /nfs/dbraw/zinc/14/82/11/849148211.db2.gz SNTQAAKQCMXVNX-MCIONIFRSA-N 2 0 281.400 0.472 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001037976901 849615343 /nfs/dbraw/zinc/61/53/43/849615343.db2.gz FGGNQRNGGKIWBA-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216069 850597053 /nfs/dbraw/zinc/59/70/53/850597053.db2.gz LGQCABVGCHOFAL-GDBMZVCRSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046329983 851468068 /nfs/dbraw/zinc/46/80/68/851468068.db2.gz DROOTFRSCIMLHA-LZWOXQAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048817530 852074199 /nfs/dbraw/zinc/07/41/99/852074199.db2.gz OQLKJLAXTBJMMY-OWCLPIDISA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048938586 852115279 /nfs/dbraw/zinc/11/52/79/852115279.db2.gz KFIAOJQANHTUNB-OKILXGFUSA-N 2 0 272.352 0.215 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049039010 852144883 /nfs/dbraw/zinc/14/48/83/852144883.db2.gz NMKAAHIRLXRAEO-QLFBSQMISA-N 2 0 277.412 0.596 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@H]2C1 ZINC001049234023 852199961 /nfs/dbraw/zinc/19/99/61/852199961.db2.gz WBNYWSFWJUISNS-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001054789670 853014513 /nfs/dbraw/zinc/01/45/13/853014513.db2.gz GBSQRCFRWZIPMQ-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001050545904 853394104 /nfs/dbraw/zinc/39/41/04/853394104.db2.gz HYTFDZLFDSCMHR-HNNXBMFYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050664008 853409280 /nfs/dbraw/zinc/40/92/80/853409280.db2.gz JUKULNUDMVPOLK-CABCVRRESA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072983286 854510335 /nfs/dbraw/zinc/51/03/35/854510335.db2.gz QOFHQSIYKBLARI-KBPBESRZSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426042 854558440 /nfs/dbraw/zinc/55/84/40/854558440.db2.gz OVDSUXZSXOSQDP-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073891316 854659094 /nfs/dbraw/zinc/65/90/94/854659094.db2.gz OHQZRXKUGXEMIK-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124736 855101820 /nfs/dbraw/zinc/10/18/20/855101820.db2.gz MOKJGYSKBWNZAQ-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001100746366 855217361 /nfs/dbraw/zinc/21/73/61/855217361.db2.gz NCUNVYIUZSCEGG-HIFPTAJRSA-N 2 0 274.368 0.706 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980940 855252000 /nfs/dbraw/zinc/25/20/00/855252000.db2.gz NJRXRNBFGAKOCC-ROKHWSDSSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033119 855257195 /nfs/dbraw/zinc/25/71/95/855257195.db2.gz CCMPXOUGAIHJJD-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CC1 ZINC001323525456 912392461 /nfs/dbraw/zinc/39/24/61/912392461.db2.gz NMUGSDKGNBJPNG-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001325100414 913214864 /nfs/dbraw/zinc/21/48/64/913214864.db2.gz ARTZZIBVDHSANI-MRXNPFEDSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325435232 913404594 /nfs/dbraw/zinc/40/45/94/913404594.db2.gz DEODUUBYTLDPDZ-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001480905560 891733486 /nfs/dbraw/zinc/73/34/86/891733486.db2.gz YJTMUQUJRUIBPZ-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070464 892129649 /nfs/dbraw/zinc/12/96/49/892129649.db2.gz IKUWGKKWANOZSD-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481099788 892161737 /nfs/dbraw/zinc/16/17/37/892161737.db2.gz SYHNNDFRGFLGAK-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481124973 892197797 /nfs/dbraw/zinc/19/77/97/892197797.db2.gz YYWIEHJLTCOJIL-AWEZNQCLSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481123420 892198863 /nfs/dbraw/zinc/19/88/63/892198863.db2.gz IEIBEFFDHBFOMV-GJZGRUSLSA-N 2 0 293.411 0.026 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481506806 892755399 /nfs/dbraw/zinc/75/53/99/892755399.db2.gz LCZAYKKIUPVORA-KBPBESRZSA-N 2 0 265.401 0.904 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481633473 892938273 /nfs/dbraw/zinc/93/82/73/892938273.db2.gz SQAFLYJWOWXMDU-AWEZNQCLSA-N 2 0 265.401 0.644 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482141392 893434142 /nfs/dbraw/zinc/43/41/42/893434142.db2.gz CLENOBOJCNVBNO-UONOGXRCSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482398591 893954220 /nfs/dbraw/zinc/95/42/20/893954220.db2.gz PEXNADDMEOQWGY-UONOGXRCSA-N 2 0 265.401 0.692 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482737395 894554332 /nfs/dbraw/zinc/55/43/32/894554332.db2.gz LTKINIRPKMRWMT-GJZGRUSLSA-N 2 0 293.411 0.093 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482881541 894668484 /nfs/dbraw/zinc/66/84/84/894668484.db2.gz LFRYRNLCJTYRGR-ZDUSSCGKSA-N 2 0 291.399 0.176 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482899861 894672335 /nfs/dbraw/zinc/67/23/35/894672335.db2.gz XMWZFBGIWYPHNQ-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483008774 894799134 /nfs/dbraw/zinc/79/91/34/894799134.db2.gz MZDNDNHDLCQESP-XVWMLYKFSA-N 2 0 275.396 0.614 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001326599002 914039285 /nfs/dbraw/zinc/03/92/85/914039285.db2.gz OAQLENAZBQIXPT-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484070917 896182856 /nfs/dbraw/zinc/18/28/56/896182856.db2.gz IYOXVBOPLYADTO-HOCLYGCPSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484252888 896287723 /nfs/dbraw/zinc/28/77/23/896287723.db2.gz XXJBEDCKJSTLSF-UKRRQHHQSA-N 2 0 281.400 0.067 20 30 CCEDRP CC#CC[NH2+]CCN(CCO)C(=O)CC[NH+]1CCCCC1 ZINC001484500788 896447349 /nfs/dbraw/zinc/44/73/49/896447349.db2.gz DHLKCDFXNFDTKH-UHFFFAOYSA-N 2 0 295.427 0.296 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687467 896542211 /nfs/dbraw/zinc/54/22/11/896542211.db2.gz KHUQYYNCUYQAMH-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485383440 897013049 /nfs/dbraw/zinc/01/30/49/897013049.db2.gz NDBRPEGMCCWYFP-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471184 897066383 /nfs/dbraw/zinc/06/63/83/897066383.db2.gz DLJPJKFOTFBSEB-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485827787 897470163 /nfs/dbraw/zinc/47/01/63/897470163.db2.gz REXPPMJGNQZCLV-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485834550 898051412 /nfs/dbraw/zinc/05/14/12/898051412.db2.gz QBSPNKQVKPXYBZ-KGLIPLIRSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCC1 ZINC001326865507 914242750 /nfs/dbraw/zinc/24/27/50/914242750.db2.gz YFTPVPKAWILYEP-CYBMUJFWSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001485960808 898558709 /nfs/dbraw/zinc/55/87/09/898558709.db2.gz NDLWFIQAJBPGOY-ZDUSSCGKSA-N 2 0 253.390 0.786 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001486093915 898649890 /nfs/dbraw/zinc/64/98/90/898649890.db2.gz RWQZFCLVALNRMG-ZIAGYGMSSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001486149423 898688428 /nfs/dbraw/zinc/68/84/28/898688428.db2.gz WJDNHUXSWCDFRU-HIFRSBDPSA-N 2 0 263.385 0.685 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486316549 898777607 /nfs/dbraw/zinc/77/76/07/898777607.db2.gz DCXWTZYJDIAADI-VXGBXAGGSA-N 2 0 289.807 0.100 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001486495967 898905060 /nfs/dbraw/zinc/90/50/60/898905060.db2.gz KARMUYGMRZEGKD-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477302 899839005 /nfs/dbraw/zinc/83/90/05/899839005.db2.gz ARAONYAXYDJHJC-CYBMUJFWSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001490506206 900655651 /nfs/dbraw/zinc/65/56/51/900655651.db2.gz UZEKQIUXRKQHAG-OAHLLOKOSA-N 2 0 296.459 0.492 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490607579 900676492 /nfs/dbraw/zinc/67/64/92/900676492.db2.gz YQUKAWLVECLGFE-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001490692166 900705953 /nfs/dbraw/zinc/70/59/53/900705953.db2.gz AUYKTNHFBGIRBQ-HUUCEWRRSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001327575871 914629823 /nfs/dbraw/zinc/62/98/23/914629823.db2.gz DCQMDODRHQQKBW-HOCLYGCPSA-N 2 0 293.411 0.047 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491047358 903309537 /nfs/dbraw/zinc/30/95/37/903309537.db2.gz HSXUGIGLSSABND-OKILXGFUSA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001210811952 903828523 /nfs/dbraw/zinc/82/85/23/903828523.db2.gz RZGPARUJRFIYIW-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331330657 903973462 /nfs/dbraw/zinc/97/34/62/903973462.db2.gz PTDQHEKZCPSHPP-BCXZHAGTSA-N 2 0 262.357 0.074 20 30 CCEDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331330670 903973473 /nfs/dbraw/zinc/97/34/73/903973473.db2.gz PTDQHEKZCPSHPP-SSTAHTEZSA-N 2 0 262.357 0.074 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001491565298 903995104 /nfs/dbraw/zinc/99/51/04/903995104.db2.gz NQAJYNLVTFNMRN-ZDUSSCGKSA-N 2 0 269.389 0.072 20 30 CCEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001491566724 904086580 /nfs/dbraw/zinc/08/65/80/904086580.db2.gz TYMINEYDRWPNON-LBPRGKRZSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001281968964 904378965 /nfs/dbraw/zinc/37/89/65/904378965.db2.gz RNGGDQRXOIMZJJ-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316628599 904924611 /nfs/dbraw/zinc/92/46/11/904924611.db2.gz RJRDUFJDOSWMRC-IHRRRGAJSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491849764 907605073 /nfs/dbraw/zinc/60/50/73/907605073.db2.gz LQQKGZYBSAVCGU-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001313437505 908666367 /nfs/dbraw/zinc/66/63/67/908666367.db2.gz BEEFDKYUYZUSAE-ZDUSSCGKSA-N 2 0 266.389 0.287 20 30 CCEDRP C#CCC[N@H+](CC)CCCNC(=O)C[NH+]1CCCC1 ZINC001316908354 908836098 /nfs/dbraw/zinc/83/60/98/908836098.db2.gz ASVBKZGTSFWOQX-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001318445077 909760096 /nfs/dbraw/zinc/76/00/96/909760096.db2.gz JHGMOSYDNYNUJY-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001318592544 909829148 /nfs/dbraw/zinc/82/91/48/909829148.db2.gz HHCWSYZIHHWXLT-OLZOCXBDSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001318830459 909897827 /nfs/dbraw/zinc/89/78/27/909897827.db2.gz GDSRZGRVKNDYEY-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001319130176 909996731 /nfs/dbraw/zinc/99/67/31/909996731.db2.gz PALDTOROIZDMRK-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319207179 910037444 /nfs/dbraw/zinc/03/74/44/910037444.db2.gz HGBABXJQWJBLPG-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319560030 910203801 /nfs/dbraw/zinc/20/38/01/910203801.db2.gz JODHGYSEDVCEBE-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320640662 910775223 /nfs/dbraw/zinc/77/52/23/910775223.db2.gz SWVOHRBLVSYFRZ-KBPBESRZSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001392377991 911768414 /nfs/dbraw/zinc/76/84/14/911768414.db2.gz VFVSNTCUAYLCSP-NSHDSACASA-N 2 0 289.807 0.290 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001322353900 911772454 /nfs/dbraw/zinc/77/24/54/911772454.db2.gz IZAMMQVPSYPTGM-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001328038385 914937120 /nfs/dbraw/zinc/93/71/20/914937120.db2.gz GRWRWKJBXIJPGY-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001329150579 915709103 /nfs/dbraw/zinc/70/91/03/915709103.db2.gz YTTMUTDMGSZVIV-CQSZACIVSA-N 2 0 299.415 0.226 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001329282308 915790550 /nfs/dbraw/zinc/79/05/50/915790550.db2.gz RDFXFUMCCVFBME-KBPBESRZSA-N 2 0 294.399 0.188 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001329530288 915991300 /nfs/dbraw/zinc/99/13/00/915991300.db2.gz GCDXQLWBZAJCNC-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001330423520 916624474 /nfs/dbraw/zinc/62/44/74/916624474.db2.gz HGCGSXXKVOCSLO-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001330913938 916965488 /nfs/dbraw/zinc/96/54/88/916965488.db2.gz CVROBYOOQRDBRI-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP CCC[NH2+]CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC001333338435 918820502 /nfs/dbraw/zinc/82/05/02/918820502.db2.gz YTQJPUZQIJHPKY-HNNXBMFYSA-N 2 0 286.379 0.861 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCOC)CC1 ZINC001333630636 919054708 /nfs/dbraw/zinc/05/47/08/919054708.db2.gz HZYUCBPNVBSXIN-LBPRGKRZSA-N 2 0 255.362 0.117 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC001336770890 920995202 /nfs/dbraw/zinc/99/52/02/920995202.db2.gz LWSZURNPXBTZKA-CQSZACIVSA-N 2 0 268.401 0.445 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340573498 922125470 /nfs/dbraw/zinc/12/54/70/922125470.db2.gz MSNGXVOVOMNFNU-GFCCVEGCSA-N 2 0 264.373 0.610 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001340937114 922284929 /nfs/dbraw/zinc/28/49/29/922284929.db2.gz VIBHKQDEWRPYIX-KGLIPLIRSA-N 2 0 263.385 0.447 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC001341652471 922608413 /nfs/dbraw/zinc/60/84/13/922608413.db2.gz NGWDTBTWDRDTBK-IJLUTSLNSA-N 2 0 252.362 0.369 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001342462070 922971423 /nfs/dbraw/zinc/97/14/23/922971423.db2.gz NIASQWMNUXFMLB-HNNXBMFYSA-N 2 0 280.416 0.224 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC001343430077 923311876 /nfs/dbraw/zinc/31/18/76/923311876.db2.gz GAKOSPLTFVBKFR-CYBMUJFWSA-N 2 0 283.416 0.897 20 30 CCEDRP [NH3+]C1CC2(C1)CC(NC(=O)C#CC1CC[NH2+]CC1)C2 ZINC001343532921 923366675 /nfs/dbraw/zinc/36/66/75/923366675.db2.gz YVGVYZVGMYHURO-UHFFFAOYSA-N 2 0 261.369 0.376 20 30 CCEDRP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001353289118 925785061 /nfs/dbraw/zinc/78/50/61/925785061.db2.gz WAVDZRDDYOLNBE-STQMWFEESA-N 2 0 251.374 0.973 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001355903034 926323575 /nfs/dbraw/zinc/32/35/75/926323575.db2.gz BZENMRXUCVAMGR-CQSZACIVSA-N 2 0 294.399 0.377 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC001357465036 926538592 /nfs/dbraw/zinc/53/85/92/926538592.db2.gz VJJZZMGDGLNABW-CYBMUJFWSA-N 2 0 283.416 0.802 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001444268127 929822522 /nfs/dbraw/zinc/82/25/22/929822522.db2.gz PZDZYIFQGIOFMQ-ZDUSSCGKSA-N 2 0 253.390 0.904 20 30 CCEDRP N#Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179725 348681696 /nfs/dbraw/zinc/68/16/96/348681696.db2.gz RJMUVQJHJCQPOO-OAHLLOKOSA-N 2 0 286.379 0.845 20 30 CCEDRP C#CCNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000079264625 349172794 /nfs/dbraw/zinc/17/27/94/349172794.db2.gz MKXSXFYEPYFJLX-UHFFFAOYSA-N 2 0 268.405 0.535 20 30 CCEDRP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579810 352561685 /nfs/dbraw/zinc/56/16/85/352561685.db2.gz FAQUETUDEQRFAH-MELADBBJSA-N 2 0 263.385 0.856 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000491632592 358295230 /nfs/dbraw/zinc/29/52/30/358295230.db2.gz PGJIBJBFNWLKFI-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C#N)n1 ZINC000589433509 359381724 /nfs/dbraw/zinc/38/17/24/359381724.db2.gz WYVRSKXLHKTOGT-UHFFFAOYSA-N 2 0 289.383 0.519 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CC=CCC1 ZINC000297598827 200237938 /nfs/dbraw/zinc/23/79/38/200237938.db2.gz VSMRSKSQERKVPL-UHFFFAOYSA-N 2 0 278.400 0.503 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000593916245 360212083 /nfs/dbraw/zinc/21/20/83/360212083.db2.gz OGHGJCGFAJLEQI-ZDUSSCGKSA-N 2 0 278.331 0.922 20 30 CCEDRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435954 360304251 /nfs/dbraw/zinc/30/42/51/360304251.db2.gz BOTRFIXDGGRGTR-NEPJUHHUSA-N 2 0 254.378 0.854 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437791 360305450 /nfs/dbraw/zinc/30/54/50/360305450.db2.gz FMYSXCZJDIPZAN-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437835 360307191 /nfs/dbraw/zinc/30/71/91/360307191.db2.gz KZMCVOVKAXODGO-JHJVBQTASA-N 2 0 266.389 0.997 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000594439885 360309149 /nfs/dbraw/zinc/30/91/49/360309149.db2.gz VTPSAZWUUIMLNU-CRWXNKLISA-N 2 0 278.400 0.983 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594441075 360309892 /nfs/dbraw/zinc/30/98/92/360309892.db2.gz MJWGEAYXASWUJS-GXTWGEPZSA-N 2 0 278.400 0.998 20 30 CCEDRP CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594446333 360313390 /nfs/dbraw/zinc/31/33/90/360313390.db2.gz QXGROSZFTIDUPB-CYBMUJFWSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598667209 361476076 /nfs/dbraw/zinc/47/60/76/361476076.db2.gz FYONIUPDQJROLP-SGMGOOAPSA-N 2 0 264.373 0.737 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635532077 372595601 /nfs/dbraw/zinc/59/56/01/372595601.db2.gz YXHRIHINPRRSBR-HUUCEWRRSA-N 2 0 293.411 0.616 20 30 CCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@H](CO)C2)C[C@H]1CO ZINC000342133588 389197195 /nfs/dbraw/zinc/19/71/95/389197195.db2.gz RGIZQDGPRHVBPC-FZKCQIBNSA-N 2 0 280.412 0.110 20 30 CCEDRP C#CCSCCNC(=[NH+]C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000128787722 389178287 /nfs/dbraw/zinc/17/82/87/389178287.db2.gz QMVZVFCFDBJGEG-AWEZNQCLSA-N 2 0 292.452 0.874 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)CC2)CC1 ZINC000336345552 389633305 /nfs/dbraw/zinc/63/33/05/389633305.db2.gz ZVOBNAYAJAMPMX-UHFFFAOYSA-N 2 0 280.416 0.984 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC[NH3+])CC1 ZINC000417543458 389829010 /nfs/dbraw/zinc/82/90/10/389829010.db2.gz UUINZXTYUZHEPD-UHFFFAOYSA-N 2 0 254.378 0.675 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430920673 389834906 /nfs/dbraw/zinc/83/49/06/389834906.db2.gz PYWXDTSLKSKHPF-GHMZBOCLSA-N 2 0 282.388 0.446 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420299371 389980007 /nfs/dbraw/zinc/98/00/07/389980007.db2.gz AYSBTORRIJYKEF-CRWXNKLISA-N 2 0 263.385 0.833 20 30 CCEDRP C[C@@H](O)C[N@H+](CC#CC[NH+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653901988 412363210 /nfs/dbraw/zinc/36/32/10/412363210.db2.gz HWMBFBJAYINYHT-OKILXGFUSA-N 2 0 280.412 0.680 20 30 CCEDRP C[C@@H](O)C[NH+](CC#CC[N@@H+](C[C@@H](C)O)C1CC1)C1CC1 ZINC000653901989 412363236 /nfs/dbraw/zinc/36/32/36/412363236.db2.gz HWMBFBJAYINYHT-ZIAGYGMSSA-N 2 0 280.412 0.680 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC[N@@H+](C)CC2)CCC[NH2+]1 ZINC000662765737 414775849 /nfs/dbraw/zinc/77/58/49/414775849.db2.gz IEBKINCHTDZXTE-CQSZACIVSA-N 2 0 251.374 0.849 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@](C)(C[NH3+])C2)CCC[NH2+]1 ZINC000662775220 414782934 /nfs/dbraw/zinc/78/29/34/414782934.db2.gz VTVPCYHTWNFJBR-ZIAGYGMSSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662721123 414746204 /nfs/dbraw/zinc/74/62/04/414746204.db2.gz JPJXMHHNADRBNJ-QWHCGFSZSA-N 2 0 267.373 0.117 20 30 CCEDRP C#CCN(CC)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000490761997 261203827 /nfs/dbraw/zinc/20/38/27/261203827.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 0 295.427 0.415 20 30 CCEDRP C[C@H](O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905707 263365065 /nfs/dbraw/zinc/36/50/65/263365065.db2.gz CCEQKLDXCHDCQG-CAOSSQGBSA-N 2 0 280.412 0.395 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342113909 263389133 /nfs/dbraw/zinc/38/91/33/263389133.db2.gz WCTKMHDKEIURBT-ZDEQEGDKSA-N 2 0 294.399 0.446 20 30 CCEDRP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000252700655 264306043 /nfs/dbraw/zinc/30/60/43/264306043.db2.gz AUDATBYTYOANDJ-QWHCGFSZSA-N 2 0 251.374 0.753 20 30 CCEDRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000362632911 267027033 /nfs/dbraw/zinc/02/70/33/267027033.db2.gz GYAFATGXAYFRPQ-UONOGXRCSA-N 2 0 280.416 0.878 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563155055 327931601 /nfs/dbraw/zinc/93/16/01/327931601.db2.gz ZHPJFYGUFOSELH-BNOWGMLFSA-N 2 0 281.400 0.505 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261752376 328140981 /nfs/dbraw/zinc/14/09/81/328140981.db2.gz LZDLHDSTVDXAGH-WCQYABFASA-N 2 0 290.415 0.568 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000101522456 328346398 /nfs/dbraw/zinc/34/63/98/328346398.db2.gz QHAXWJUWHCCCAB-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CCOCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530880632 326894642 /nfs/dbraw/zinc/89/46/42/326894642.db2.gz HNBIXGOTYUULSN-UHFFFAOYSA-N 2 0 257.378 0.141 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000570162469 327573113 /nfs/dbraw/zinc/57/31/13/327573113.db2.gz MHWCMWNLAQLIAB-AWEZNQCLSA-N 2 0 281.400 0.603 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908682 329072080 /nfs/dbraw/zinc/07/20/80/329072080.db2.gz WWJRYXQKGBVNTI-QWHCGFSZSA-N 2 0 268.405 0.802 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000262438561 330012931 /nfs/dbraw/zinc/01/29/31/330012931.db2.gz GXZTVWZAXVCLKN-RYUDHWBXSA-N 2 0 266.389 0.506 20 30 CCEDRP C[C@H]1C[NH+]=C(NCC2([NH+]3CCCC3)CCOCC2)N1 ZINC000262638591 330023955 /nfs/dbraw/zinc/02/39/55/330023955.db2.gz HHWLUSBJGATRIK-LBPRGKRZSA-N 2 0 266.389 0.569 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000263187317 330048117 /nfs/dbraw/zinc/04/81/17/330048117.db2.gz VBHPLLSXQNIRAR-BXUZGUMPSA-N 2 0 281.404 0.044 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCCC1 ZINC000424132909 330265312 /nfs/dbraw/zinc/26/53/12/330265312.db2.gz LFWBNLAMSRIFSQ-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424145524 330290863 /nfs/dbraw/zinc/29/08/63/330290863.db2.gz YYFLHWAMGGGUQR-LLVKDONJSA-N 2 0 254.378 0.712 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424151242 330296975 /nfs/dbraw/zinc/29/69/75/330296975.db2.gz HIMDSUHOKGNNOJ-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C[NH3+] ZINC000424196513 330325248 /nfs/dbraw/zinc/32/52/48/330325248.db2.gz GLBMSZFUDHAUCU-XQHKEYJVSA-N 2 0 266.389 0.839 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000490650998 332099939 /nfs/dbraw/zinc/09/99/39/332099939.db2.gz PLNTYSMRCKCGOD-MRXNPFEDSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NOC2CC[NH+](C)CC2)CC1 ZINC000491068265 332144920 /nfs/dbraw/zinc/14/49/20/332144920.db2.gz NJTGMQODUYXTJO-UHFFFAOYSA-N 2 0 279.384 0.474 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000491619841 332245523 /nfs/dbraw/zinc/24/55/23/332245523.db2.gz DXWSDRMHDYPTIM-AWEZNQCLSA-N 2 0 280.416 0.535 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491644783 332263028 /nfs/dbraw/zinc/26/30/28/332263028.db2.gz LOELNFZDJVWLHY-UONOGXRCSA-N 2 0 280.416 0.723 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000491663674 332272766 /nfs/dbraw/zinc/27/27/66/332272766.db2.gz HEGQJSISRYCLEX-UONOGXRCSA-N 2 0 280.416 0.629 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000491776475 332341934 /nfs/dbraw/zinc/34/19/34/332341934.db2.gz WBVDUEGPDGAGAG-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000491816673 332367447 /nfs/dbraw/zinc/36/74/47/332367447.db2.gz XBZRDASOLCZGIQ-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000516762102 333081934 /nfs/dbraw/zinc/08/19/34/333081934.db2.gz UNGJNOWIKLXZPH-HZPDHXFCSA-N 2 0 296.459 0.760 20 30 CCEDRP C=C[C@@](C)(O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000578375278 335622634 /nfs/dbraw/zinc/62/26/34/335622634.db2.gz LYWYGSHYPBRUKX-CQSZACIVSA-N 2 0 271.405 0.265 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000334891219 526431255 /nfs/dbraw/zinc/43/12/55/526431255.db2.gz IKABQMMKRDUVPD-ZIAGYGMSSA-N 2 0 292.427 0.888 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000334785291 526476388 /nfs/dbraw/zinc/47/63/88/526476388.db2.gz NSFKFKMTIAGFSR-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C[C@@H](CCNC(=[NH2+])N1CCOCC1)[NH+]1CCCCC1 ZINC000305796864 649874888 /nfs/dbraw/zinc/87/48/88/649874888.db2.gz AXFAELJSCUIWGG-ZDUSSCGKSA-N 2 0 268.405 0.898 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000729920507 581620490 /nfs/dbraw/zinc/62/04/90/581620490.db2.gz GJZINULYIUHPMK-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000730281695 581691301 /nfs/dbraw/zinc/69/13/01/581691301.db2.gz SOATZUNWFOAFEW-ILXRZTDVSA-N 2 0 291.395 0.063 20 30 CCEDRP C#CCNC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000758219426 581728070 /nfs/dbraw/zinc/72/80/70/581728070.db2.gz LLNSPIOJWPVWOL-CQSZACIVSA-N 2 0 296.484 0.842 20 30 CCEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000960328140 612971148 /nfs/dbraw/zinc/97/11/48/612971148.db2.gz ABBARQZQYIKVRN-DJIMGWMZSA-N 2 0 297.402 0.943 20 30 CCEDRP C#CCC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000809968048 613011583 /nfs/dbraw/zinc/01/15/83/613011583.db2.gz LKACFKLWJLGGJA-HNNXBMFYSA-N 2 0 265.401 0.082 20 30 CCEDRP C#CCN(C(=O)NC[C@H](C)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000922736906 613067344 /nfs/dbraw/zinc/06/73/44/613067344.db2.gz GDFCXEZDQCZJTF-ZDUSSCGKSA-N 2 0 280.416 0.676 20 30 CCEDRP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000886575574 613068809 /nfs/dbraw/zinc/06/88/09/613068809.db2.gz ANNWRBYDSKWFED-CYBMUJFWSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972743304 613096934 /nfs/dbraw/zinc/09/69/34/613096934.db2.gz PVKBKBKULSKAEY-ZDUSSCGKSA-N 2 0 286.379 0.927 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC)C2)CC1 ZINC000980478337 613129671 /nfs/dbraw/zinc/12/96/71/613129671.db2.gz OODJXZGNFDYMBZ-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000923319109 613134808 /nfs/dbraw/zinc/13/48/08/613134808.db2.gz KVKLFAUBMUNXAS-OAHLLOKOSA-N 2 0 292.427 0.868 20 30 CCEDRP C#C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000847026608 613158812 /nfs/dbraw/zinc/15/88/12/613158812.db2.gz FZUAYFYDHZVLLE-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP CNC(NC1CCN(CC(=O)OC(C)(C)C)CC1)=[NH+]C ZINC000864358205 613218510 /nfs/dbraw/zinc/21/85/10/613218510.db2.gz OOXHDAXUMFKUEA-UHFFFAOYSA-N 2 0 284.404 0.587 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933800 613257194 /nfs/dbraw/zinc/25/71/94/613257194.db2.gz GWVUINARAOFPFY-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978438493 613311196 /nfs/dbraw/zinc/31/11/96/613311196.db2.gz MBKVZVCGUDQLDP-PHZGNYQRSA-N 2 0 294.358 0.875 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979047388 613343783 /nfs/dbraw/zinc/34/37/83/613343783.db2.gz FWUQSYDCRPASKJ-TUVASFSCSA-N 2 0 277.412 0.808 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000907601970 613363855 /nfs/dbraw/zinc/36/38/55/613363855.db2.gz AJCSTJHBJITKRM-CQSZACIVSA-N 2 0 297.443 0.798 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000900713980 613364625 /nfs/dbraw/zinc/36/46/25/613364625.db2.gz NPJBOVLHNHCGBZ-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901135797 613365085 /nfs/dbraw/zinc/36/50/85/613365085.db2.gz VYFNSHIJIAUMJY-AWEZNQCLSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900441717 613365109 /nfs/dbraw/zinc/36/51/09/613365109.db2.gz NBUZUASHBJULLN-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000900283052 613365115 /nfs/dbraw/zinc/36/51/15/613365115.db2.gz NJDHALFBYAYZSS-CYBMUJFWSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000900613117 613365217 /nfs/dbraw/zinc/36/52/17/613365217.db2.gz ILUSIZZCTBCZLS-AWEZNQCLSA-N 2 0 282.432 0.246 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876923464 613389628 /nfs/dbraw/zinc/38/96/28/613389628.db2.gz CFCCKFVIJNNNIQ-CMPLNLGQSA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCOCC[NH+](C)C ZINC000876889967 613389803 /nfs/dbraw/zinc/38/98/03/613389803.db2.gz SHMVQKHXFYSVDC-JTQLQIEISA-N 2 0 263.769 0.151 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884364346 613423037 /nfs/dbraw/zinc/42/30/37/613423037.db2.gz QFMHPHPXPRYVCJ-UHIISALHSA-N 2 0 251.374 0.927 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969677444 613530525 /nfs/dbraw/zinc/53/05/25/613530525.db2.gz OZGWLRJFDAQPDT-CZUORRHYSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962593969 613564528 /nfs/dbraw/zinc/56/45/28/613564528.db2.gz VFMSXMMSDVPMCJ-MQYQWHSLSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CCC[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483292 613585895 /nfs/dbraw/zinc/58/58/95/613585895.db2.gz FZVHACSQBDJOMN-CYBMUJFWSA-N 2 0 256.390 0.702 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000923354399 613591116 /nfs/dbraw/zinc/59/11/16/613591116.db2.gz TWWYFMHKPBDZTO-KGLIPLIRSA-N 2 0 253.390 0.293 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980413180 613616915 /nfs/dbraw/zinc/61/69/15/613616915.db2.gz ROQZOQUPOKLFDW-HUUCEWRRSA-N 2 0 295.427 0.673 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000962587960 613636687 /nfs/dbraw/zinc/63/66/87/613636687.db2.gz LZXMGDAJIJDJND-MQYQWHSLSA-N 2 0 261.369 0.008 20 30 CCEDRP CC(=NNC1=[NH+]CCN1)c1cccc(OCC[NH+](C)C)c1 ZINC000841660580 613654369 /nfs/dbraw/zinc/65/43/69/613654369.db2.gz ZTHFPPVGIDUSPG-UHFFFAOYSA-N 2 0 289.383 0.900 20 30 CCEDRP C=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981960051 613692580 /nfs/dbraw/zinc/69/25/80/613692580.db2.gz RKTOPNBNHIINET-UONOGXRCSA-N 2 0 265.401 0.904 20 30 CCEDRP CC(C)[C@H]([NH3+])CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852917346 614226108 /nfs/dbraw/zinc/22/61/08/614226108.db2.gz YZLWTZZKJDGIHC-CYBMUJFWSA-N 2 0 251.374 0.479 20 30 CCEDRP CC(C)(C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@@H]([NH3+])c1ccccc1 ZINC000841850020 614301589 /nfs/dbraw/zinc/30/15/89/614301589.db2.gz UNOHEIZOSDEPAP-MCIONIFRSA-N 2 0 286.379 0.940 20 30 CCEDRP CC[NH+](CC)CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852854024 614991923 /nfs/dbraw/zinc/99/19/23/614991923.db2.gz CELZRMHBBCSPKT-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP CC[NH+](CC)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858131 615009410 /nfs/dbraw/zinc/00/94/10/615009410.db2.gz QTNBITSQWORHAH-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP CCN(CCC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852886765 615041991 /nfs/dbraw/zinc/04/19/91/615041991.db2.gz VOIZBHJWEBUFMM-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000913523651 615859582 /nfs/dbraw/zinc/85/95/82/615859582.db2.gz HLWLOIYDCKKITO-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852897903 615984242 /nfs/dbraw/zinc/98/42/42/615984242.db2.gz VEYAGYGIGRWINW-OKILXGFUSA-N 2 0 263.385 0.446 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852861497 615989232 /nfs/dbraw/zinc/98/92/32/615989232.db2.gz WGWFWPNZDLUZFT-CQSZACIVSA-N 2 0 263.385 0.446 20 30 CCEDRP CN(CCC[NH3+])C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867961577 616074214 /nfs/dbraw/zinc/07/42/14/616074214.db2.gz XUFLMDWARCNECM-CQSZACIVSA-N 2 0 272.352 0.552 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876733379 616196410 /nfs/dbraw/zinc/19/64/10/616196410.db2.gz WTJPKFZIQGTUNP-ZBFHGGJFSA-N 2 0 298.390 0.955 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]12 ZINC001026283751 625388223 /nfs/dbraw/zinc/38/82/23/625388223.db2.gz MEZADKGSHYNSEU-RBSFLKMASA-N 2 0 289.423 0.931 20 30 CCEDRP N#CCN1CCC([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000925608565 625444742 /nfs/dbraw/zinc/44/47/42/625444742.db2.gz FMEGKNUKWJDDCM-RCZQDCHWSA-N 2 0 260.385 0.560 20 30 CCEDRP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023290689 622984426 /nfs/dbraw/zinc/98/44/26/622984426.db2.gz AGFROWWCGIUNLE-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372156 623016564 /nfs/dbraw/zinc/01/65/64/623016564.db2.gz OQORUFAASRPORP-HOCLYGCPSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001020927976 624625809 /nfs/dbraw/zinc/62/58/09/624625809.db2.gz RMIBFCCLKZAAID-TUVASFSCSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001022274234 624907111 /nfs/dbraw/zinc/90/71/11/624907111.db2.gz RLRHAJPYECRLQI-OKILXGFUSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001022321015 624923364 /nfs/dbraw/zinc/92/33/64/624923364.db2.gz DBMAZDKJKXNOIX-RWMBFGLXSA-N 2 0 286.379 0.693 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027580740 630772034 /nfs/dbraw/zinc/77/20/34/630772034.db2.gz AAMQDRDWROVHIW-KBPBESRZSA-N 2 0 265.401 0.883 20 30 CCEDRP CC[C@]1(C)CCN(C(NC[C@@H]2C[N@H+](C)CCN2C)=[NH+]C)C1 ZINC000261735169 631560405 /nfs/dbraw/zinc/56/04/05/631560405.db2.gz JWKKPXQRPGORGU-GDBMZVCRSA-N 2 0 295.475 0.930 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC(C)C ZINC000305831324 631857104 /nfs/dbraw/zinc/85/71/04/631857104.db2.gz UJUVBQDAVHVHJB-GFCCVEGCSA-N 2 0 256.394 0.800 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000985328562 632436338 /nfs/dbraw/zinc/43/63/38/632436338.db2.gz VTCBJXGFZLYHRN-CQSZACIVSA-N 2 0 263.385 0.637 20 30 CCEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000985351562 632445942 /nfs/dbraw/zinc/44/59/42/632445942.db2.gz GXRDMKXVIZJDJO-OAHLLOKOSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000987127895 632825773 /nfs/dbraw/zinc/82/57/73/632825773.db2.gz ZTJPKSVNDPIMCV-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992473983 637442641 /nfs/dbraw/zinc/44/26/41/637442641.db2.gz GNRLZHDYTUPSLD-OFQRWUPVSA-N 2 0 275.396 0.685 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCO1 ZINC000261981305 637510653 /nfs/dbraw/zinc/51/06/53/637510653.db2.gz HZQACPYFXAVVSX-STQMWFEESA-N 2 0 268.405 0.944 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995923747 638804612 /nfs/dbraw/zinc/80/46/12/638804612.db2.gz NQAIEOUWORFHTE-YRGRVCCFSA-N 2 0 286.379 0.973 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014495148 650456933 /nfs/dbraw/zinc/45/69/33/650456933.db2.gz RATHNOWFPQIQTK-FRRDWIJNSA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000195119 639051451 /nfs/dbraw/zinc/05/14/51/639051451.db2.gz XKBQXKVSJYKATQ-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001001237493 639265403 /nfs/dbraw/zinc/26/54/03/639265403.db2.gz HVMCQCFYQJLBIP-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001419623 639298125 /nfs/dbraw/zinc/29/81/25/639298125.db2.gz YIBOWFJFXFEXBK-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003632561 639582766 /nfs/dbraw/zinc/58/27/66/639582766.db2.gz ARROVFYGDJEYIS-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923478667 640159010 /nfs/dbraw/zinc/15/90/10/640159010.db2.gz FZWZREAQJXBWFT-CABCVRRESA-N 2 0 289.379 0.969 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015997409 650671757 /nfs/dbraw/zinc/67/17/57/650671757.db2.gz BXFSJSFOFSDOQG-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000829810309 642195048 /nfs/dbraw/zinc/19/50/48/642195048.db2.gz NROPBVGWLZZRLI-OAHLLOKOSA-N 2 0 277.412 0.886 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000834484649 642575766 /nfs/dbraw/zinc/57/57/66/642575766.db2.gz LINMPOAYFXRNAM-LPWJVIDDSA-N 2 0 264.373 0.512 20 30 CCEDRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485434 642575905 /nfs/dbraw/zinc/57/59/05/642575905.db2.gz XAWFGYNDWPHURA-RTXFEEFZSA-N 2 0 258.325 0.223 20 30 CCEDRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834494142 642583646 /nfs/dbraw/zinc/58/36/46/642583646.db2.gz KRRDXSDDIYPZJA-BIMULSAOSA-N 2 0 258.325 0.548 20 30 CCEDRP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C ZINC001018268880 650851161 /nfs/dbraw/zinc/85/11/61/650851161.db2.gz GJBWTHMOCKKTNL-GASCZTMLSA-N 2 0 286.379 0.890 20 30 CCEDRP C[C@@H]1C[N@H+](CCCNC2=[NH+]CCN2C)CCCO1 ZINC000849022622 643702745 /nfs/dbraw/zinc/70/27/45/643702745.db2.gz NVMDNXHWEMWDRL-GFCCVEGCSA-N 2 0 254.378 0.378 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000852827432 644013848 /nfs/dbraw/zinc/01/38/48/644013848.db2.gz IYQKYEPCDVUZBM-SQWLQELKSA-N 2 0 298.390 0.907 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000852879325 644038322 /nfs/dbraw/zinc/03/83/22/644038322.db2.gz UXEKAODCXVPSPA-MRXNPFEDSA-N 2 0 275.396 0.592 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001018962585 650925024 /nfs/dbraw/zinc/92/50/24/650925024.db2.gz GCRSVAWBGWMDPS-GJZGRUSLSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001019382924 650968046 /nfs/dbraw/zinc/96/80/46/650968046.db2.gz PICUWNWHTRCGDD-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+](C)C ZINC000876735514 646653606 /nfs/dbraw/zinc/65/36/06/646653606.db2.gz PAXYNBCPPFOWKX-ABAIWWIYSA-N 2 0 286.379 0.811 20 30 CCEDRP C[C@@H](C[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876829541 646675661 /nfs/dbraw/zinc/67/56/61/646675661.db2.gz KZBMSYXHEAJDAP-TVQRCGJNSA-N 2 0 258.325 0.208 20 30 CCEDRP C[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876835955 646678128 /nfs/dbraw/zinc/67/81/28/646678128.db2.gz HWNIXJCJGHDHSQ-TVQRCGJNSA-N 2 0 258.325 0.208 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877264886 646772357 /nfs/dbraw/zinc/77/23/57/646772357.db2.gz BLABTCQLCQYVNW-LSDHHAIUSA-N 2 0 275.396 0.590 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H](C)[NH2+]1 ZINC000884029927 647618321 /nfs/dbraw/zinc/61/83/21/647618321.db2.gz AMMQLSYRFBKXMC-ZZWMRVEDSA-N 2 0 276.384 0.335 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H]1C[NH3+] ZINC000884035207 647620769 /nfs/dbraw/zinc/62/07/69/647620769.db2.gz USYLWGHRGLNSEI-BCWAKEQVSA-N 2 0 290.411 0.712 20 30 CCEDRP C[C@H](CC[NH+](C)C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884201888 647667635 /nfs/dbraw/zinc/66/76/35/647667635.db2.gz KIUMKJJIEGWQIN-KLNSDEMFSA-N 2 0 278.400 0.582 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCC[C@H]1[NH3+])C2 ZINC000884369486 647721765 /nfs/dbraw/zinc/72/17/65/647721765.db2.gz FRZUYBDMRYOKAF-FTBOAFTOSA-N 2 0 276.384 0.512 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC1CC[NH2+]CC1)C2 ZINC000884389358 647725097 /nfs/dbraw/zinc/72/50/97/647725097.db2.gz WEJYUEYXDLMMIC-NPCAHTBFSA-N 2 0 290.411 0.632 20 30 CCEDRP [NH2+]=C(NCCC[NH+]1CCCC1)N1CCSCC1 ZINC000303775025 649824598 /nfs/dbraw/zinc/82/45/98/649824598.db2.gz GMVMHKSQTNHJAS-UHFFFAOYSA-N 2 0 256.419 0.836 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCCCC1 ZINC000303781947 649824894 /nfs/dbraw/zinc/82/48/94/649824894.db2.gz MSXBBAVVJLRKPO-AWEZNQCLSA-N 3 0 281.448 0.861 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)nc1 ZINC000303780130 649825007 /nfs/dbraw/zinc/82/50/07/649825007.db2.gz LBPJASMJSDJUNO-ZDUSSCGKSA-N 2 0 291.399 0.979 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303791768 649825260 /nfs/dbraw/zinc/82/52/60/649825260.db2.gz XVPGYXAMLPUORR-RWMBFGLXSA-N 2 0 286.420 0.425 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCOCC1 ZINC000303881692 649826157 /nfs/dbraw/zinc/82/61/57/649826157.db2.gz HUBJJITZZADIOE-LBPRGKRZSA-N 2 0 254.378 0.508 20 30 CCEDRP CC(C)(C)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303899974 649826954 /nfs/dbraw/zinc/82/69/54/649826954.db2.gz RXQGWZYDXBTTEY-UHFFFAOYSA-N 2 0 256.394 0.802 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303969195 649827212 /nfs/dbraw/zinc/82/72/12/649827212.db2.gz BOAAURKXHRORGH-GFCCVEGCSA-N 2 0 297.447 0.537 20 30 CCEDRP C=CCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304730356 649837501 /nfs/dbraw/zinc/83/75/01/649837501.db2.gz QXKZGAWYAQXZGI-UHFFFAOYSA-N 2 0 253.394 0.103 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC1 ZINC001266285470 790407196 /nfs/dbraw/zinc/40/71/96/790407196.db2.gz ZVPGNNSVVUMZBC-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415178 790660858 /nfs/dbraw/zinc/66/08/58/790660858.db2.gz RNIBWWRVVOMRBE-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001020986781 790716046 /nfs/dbraw/zinc/71/60/46/790716046.db2.gz WMNRVHSVYITMMF-YDHLFZDLSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266533690 790886362 /nfs/dbraw/zinc/88/63/62/790886362.db2.gz OHDWLAFOYOEGKT-KGLIPLIRSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266544900 790906110 /nfs/dbraw/zinc/90/61/10/790906110.db2.gz KYCZUTCAHYLWNE-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266551392 790917162 /nfs/dbraw/zinc/91/71/62/790917162.db2.gz QLRAKZMFQFZJSC-CYBMUJFWSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277719212 805983816 /nfs/dbraw/zinc/98/38/16/805983816.db2.gz ZLIRKHXQBYACPK-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001277783579 806042896 /nfs/dbraw/zinc/04/28/96/806042896.db2.gz WMNHPKHZXDGPPM-CHWSQXEVSA-N 2 0 269.389 0.330 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001267022476 791456653 /nfs/dbraw/zinc/45/66/53/791456653.db2.gz QEGBDHSCPBPVTC-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267226588 791705863 /nfs/dbraw/zinc/70/58/63/791705863.db2.gz XCUJXLBCJNIMAL-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CC[NH2+]CCN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235223917 806389055 /nfs/dbraw/zinc/38/90/55/806389055.db2.gz GOTJPVJOEUERLW-QWRGUYRKSA-N 2 0 263.307 0.846 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC=C)CC1 ZINC001278025859 806618623 /nfs/dbraw/zinc/61/86/23/806618623.db2.gz RQLHDKJRLLRHAJ-CQSZACIVSA-N 2 0 277.412 0.954 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001120574426 798871762 /nfs/dbraw/zinc/87/17/62/798871762.db2.gz LOVYZSUMTZJWKX-ZIAGYGMSSA-N 2 0 268.405 0.124 20 30 CCEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177965 799162000 /nfs/dbraw/zinc/16/20/00/799162000.db2.gz PGEOZTQAJSCJFF-DPGVGJJJSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001278154675 806726172 /nfs/dbraw/zinc/72/61/72/806726172.db2.gz HIFPXGWAAXSFLS-CYBMUJFWSA-N 2 0 283.416 0.054 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001122319881 799196876 /nfs/dbraw/zinc/19/68/76/799196876.db2.gz KWSKIYYRRNXCHK-SGMGOOAPSA-N 2 0 264.373 0.737 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001122447468 799237323 /nfs/dbraw/zinc/23/73/23/799237323.db2.gz FPQTXWPBYFYBIX-HZSPNIEDSA-N 2 0 282.432 0.421 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154838155 800855280 /nfs/dbraw/zinc/85/52/80/800855280.db2.gz QMEIQIZZKONVAW-CABCVRRESA-N 2 0 295.427 0.555 20 30 CCEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374776 801158250 /nfs/dbraw/zinc/15/82/50/801158250.db2.gz XBVJHAHLKCBYFU-CQSZACIVSA-N 2 0 285.432 0.967 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901063 801259174 /nfs/dbraw/zinc/25/91/74/801259174.db2.gz IZRHBKVVLMPKGH-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@H](C[NH3+])[C@H]2C)CCC[NH2+]1 ZINC001157845148 801499579 /nfs/dbraw/zinc/49/95/79/801499579.db2.gz ZZGYWSCWXWNIMI-UMVBOHGHSA-N 2 0 263.385 0.718 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160650472 801990290 /nfs/dbraw/zinc/99/02/90/801990290.db2.gz XCAPWMBALNWINC-MJBXVCDLSA-N 2 0 290.342 0.326 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164539277 802759390 /nfs/dbraw/zinc/75/93/90/802759390.db2.gz VQNPGUXYRXQLSW-ZDUSSCGKSA-N 2 0 269.389 0.378 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574551 802768529 /nfs/dbraw/zinc/76/85/29/802768529.db2.gz QAOFPMVKDXDLCE-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203414949 811739269 /nfs/dbraw/zinc/73/92/69/811739269.db2.gz RWZWACFDXGKFPQ-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627149 802927042 /nfs/dbraw/zinc/92/70/42/802927042.db2.gz RBBCDKHBPNSNJT-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001269401829 813358957 /nfs/dbraw/zinc/35/89/57/813358957.db2.gz GMQXIASQBJTOBL-UONOGXRCSA-N 2 0 265.401 0.999 20 30 CCEDRP N#Cc1ccc(CCC[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206512637 803256670 /nfs/dbraw/zinc/25/66/70/803256670.db2.gz SALGAIPFIBCZIO-GJZGRUSLSA-N 2 0 259.353 0.742 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208335597 803507774 /nfs/dbraw/zinc/50/77/74/803507774.db2.gz WJDMKGIKTFPEKH-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C1CC1 ZINC001276596243 803551247 /nfs/dbraw/zinc/55/12/47/803551247.db2.gz WZXSFVXCHTVJHM-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276640178 803600846 /nfs/dbraw/zinc/60/08/46/803600846.db2.gz AAARCNNGOUGHRB-UONOGXRCSA-N 2 0 263.385 0.588 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685275 803657722 /nfs/dbraw/zinc/65/77/22/803657722.db2.gz RKFPDSYUXIBQPW-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210811036 803660891 /nfs/dbraw/zinc/66/08/91/803660891.db2.gz IPNLQGAWBVEEKG-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025586 803664918 /nfs/dbraw/zinc/66/49/18/803664918.db2.gz MNIOFSZLBACQKK-QLFBSQMISA-N 2 0 293.411 0.024 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335936 803735358 /nfs/dbraw/zinc/73/53/58/803735358.db2.gz ODAWGTHFLQIQPZ-MGPQQGTHSA-N 2 0 263.385 0.540 20 30 CCEDRP C[N@H+](CCC[NH3+])C[C@H](O)COc1ccc(C#N)cc1 ZINC000402210921 803816674 /nfs/dbraw/zinc/81/66/74/803816674.db2.gz JFCOQMYWLSRPLV-ZDUSSCGKSA-N 2 0 263.341 0.579 20 30 CCEDRP C=C1CC[NH2+]C[C@@H]1OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833426 803917413 /nfs/dbraw/zinc/91/74/13/803917413.db2.gz WFWKPLHOHQTMDZ-CRWXNKLISA-N 2 0 252.358 0.688 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cccc(C#N)n1 ZINC001218587098 804021912 /nfs/dbraw/zinc/02/19/12/804021912.db2.gz GAFQYGGNNAMASS-LBPRGKRZSA-N 2 0 275.356 0.951 20 30 CCEDRP N#Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001218588094 804022787 /nfs/dbraw/zinc/02/27/87/804022787.db2.gz RAXRCRZXPRHXSN-QMTHXVAHSA-N 2 0 271.324 0.091 20 30 CCEDRP N#Cc1cccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218588628 804023934 /nfs/dbraw/zinc/02/39/34/804023934.db2.gz ZTOOVCMYZNYXBV-LBPRGKRZSA-N 2 0 259.313 0.219 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1[nH]cnc1C#N ZINC001218594876 804028000 /nfs/dbraw/zinc/02/80/00/804028000.db2.gz MWYAKPQAAQRELQ-VIFPVBQESA-N 2 0 264.333 0.279 20 30 CCEDRP N#Cc1c(F)ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)c1F ZINC001218912777 804154672 /nfs/dbraw/zinc/15/46/72/804154672.db2.gz DNVMYFAUWDVWBY-LDWIPMOCSA-N 2 0 266.251 0.464 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218979251 804172885 /nfs/dbraw/zinc/17/28/85/804172885.db2.gz INQSNSNDVWKMJW-AWEZNQCLSA-N 2 0 288.351 0.832 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C#N ZINC001218988429 804177063 /nfs/dbraw/zinc/17/70/63/804177063.db2.gz ZLAZRRNUTGQHLT-JTQLQIEISA-N 2 0 272.312 0.017 20 30 CCEDRP COc1cc(C#N)c(F)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219107818 804202577 /nfs/dbraw/zinc/20/25/77/804202577.db2.gz UUNAMDOMKMKMPO-SNVBAGLBSA-N 2 0 280.303 0.711 20 30 CCEDRP N#C[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccccc1 ZINC001219558224 804346915 /nfs/dbraw/zinc/34/69/15/804346915.db2.gz NJRGKTFVMUCKQM-QWHCGFSZSA-N 2 0 260.341 0.824 20 30 CCEDRP N#C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccccc1 ZINC001219557806 804347553 /nfs/dbraw/zinc/34/75/53/804347553.db2.gz DXTJFOGASDPTDQ-RYUDHWBXSA-N 2 0 278.381 0.387 20 30 CCEDRP C#CC[C@]1(C(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)CCC[NH2+]1 ZINC001219611327 804374791 /nfs/dbraw/zinc/37/47/91/804374791.db2.gz XWZRXKIEOSUPAD-NEPJUHHUSA-N 2 0 289.301 0.543 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805366 804425232 /nfs/dbraw/zinc/42/52/32/804425232.db2.gz DXUQGTLMLTZAIM-QLFBSQMISA-N 2 0 295.427 0.454 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1=CC(=O)CCC1 ZINC001219885766 804440504 /nfs/dbraw/zinc/44/05/04/804440504.db2.gz VTICDASXYSZSHS-LBPRGKRZSA-N 2 0 253.346 0.457 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC(=N)SCC[NH3+] ZINC001220106290 804500989 /nfs/dbraw/zinc/50/09/89/804500989.db2.gz HXDKYFJZKUONDI-NSHDSACASA-N 2 0 291.380 0.171 20 30 CCEDRP C=C(C)C(=O)OCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220124657 804506322 /nfs/dbraw/zinc/50/63/22/804506322.db2.gz GSJPFTBHFXEHNO-GFCCVEGCSA-N 2 0 295.383 0.096 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238565 804544585 /nfs/dbraw/zinc/54/45/85/804544585.db2.gz WXAVBYWDXSAJTD-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C[C@H]1C[C@@]1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(=O)OCC ZINC001220570905 804625241 /nfs/dbraw/zinc/62/52/41/804625241.db2.gz CWUQQLZMYGRAPF-HUBLWGQQSA-N 2 0 297.399 0.327 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001276815664 804656731 /nfs/dbraw/zinc/65/67/31/804656731.db2.gz VRDYDWSUHWIJSU-KBPBESRZSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220817413 804672853 /nfs/dbraw/zinc/67/28/53/804672853.db2.gz VSJPZZMOAPPUPP-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114205 804732520 /nfs/dbraw/zinc/73/25/20/804732520.db2.gz QUGYEVBMWZHZTN-HNNXBMFYSA-N 2 0 286.379 0.170 20 30 CCEDRP C#CC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCCCC1 ZINC001221276094 804762686 /nfs/dbraw/zinc/76/26/86/804762686.db2.gz PWNUBLUAMATIMQ-NSHDSACASA-N 2 0 269.414 0.458 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658474 815051140 /nfs/dbraw/zinc/05/11/40/815051140.db2.gz CDBZWJJPBALUNH-APIJFGDWSA-N 2 0 295.427 0.861 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001277087874 805181441 /nfs/dbraw/zinc/18/14/41/805181441.db2.gz RXDUBSFOAUWTRM-IHRRRGAJSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001277194873 805338745 /nfs/dbraw/zinc/33/87/45/805338745.db2.gz IMKXHTUTQLKIPQ-UHFFFAOYSA-N 2 0 291.399 0.483 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)Cn2cncc2C)C1 ZINC001278411328 807087787 /nfs/dbraw/zinc/08/77/87/807087787.db2.gz UAVPYGIYAAJSHH-HNNXBMFYSA-N 2 0 274.368 0.795 20 30 CCEDRP N#Cc1ccccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246187483 807181045 /nfs/dbraw/zinc/18/10/45/807181045.db2.gz OFPVWTCFSTVBBH-AWEZNQCLSA-N 2 0 256.353 0.742 20 30 CCEDRP N#Cc1ccc(OCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246330777 807223760 /nfs/dbraw/zinc/22/37/60/807223760.db2.gz UVMLJCYEXOZIKS-AWEZNQCLSA-N 2 0 286.379 0.621 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001251708126 807696712 /nfs/dbraw/zinc/69/67/12/807696712.db2.gz KZFFZHDPWAQNRX-UHFFFAOYSA-N 2 0 278.400 0.431 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CCCC[NH+]1CCCC1 ZINC001251880853 807731653 /nfs/dbraw/zinc/73/16/53/807731653.db2.gz ILVCMLOELFNAEE-CQSZACIVSA-N 2 0 254.374 0.463 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252486958 807890003 /nfs/dbraw/zinc/89/00/03/807890003.db2.gz KNJWDTAJQPDQQG-AWEZNQCLSA-N 2 0 256.390 0.871 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252617647 807920178 /nfs/dbraw/zinc/92/01/78/807920178.db2.gz HQQSUGKUSPWRHS-CQSZACIVSA-N 2 0 255.406 0.541 20 30 CCEDRP C=C[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001253581850 808088976 /nfs/dbraw/zinc/08/89/76/808088976.db2.gz KMNCHRQACGGNGT-AWEZNQCLSA-N 2 0 253.390 0.245 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)C=C)CC1 ZINC001253588678 808094304 /nfs/dbraw/zinc/09/43/04/808094304.db2.gz ZMKVEHJCATXYMN-MRXNPFEDSA-N 2 0 279.428 0.825 20 30 CCEDRP C=C[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001253608780 808095831 /nfs/dbraw/zinc/09/58/31/808095831.db2.gz HATNQNSYJYIQSJ-IHRRRGAJSA-N 2 0 254.374 0.766 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001278761304 808179441 /nfs/dbraw/zinc/17/94/41/808179441.db2.gz DFUUTTNNPYGMDI-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001278768147 808195751 /nfs/dbraw/zinc/19/57/51/808195751.db2.gz PEUWILXYIQJBTD-STQMWFEESA-N 2 0 271.405 0.168 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278815500 808280670 /nfs/dbraw/zinc/28/06/70/808280670.db2.gz FNGITXLCCMBOHY-ZBFHGGJFSA-N 2 0 297.443 0.846 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001262274497 809264593 /nfs/dbraw/zinc/26/45/93/809264593.db2.gz ZWSMZMPGKRLEKC-UHFFFAOYSA-N 2 0 292.387 0.131 20 30 CCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1CC[NH3+] ZINC001263189120 809475632 /nfs/dbraw/zinc/47/56/32/809475632.db2.gz MHKQYDPYECVHMR-TZMCWYRMSA-N 2 0 263.385 0.433 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1OCC ZINC001263975304 809614432 /nfs/dbraw/zinc/61/44/32/809614432.db2.gz DJNLYVSEMKWXOU-RBSFLKMASA-N 2 0 295.427 0.577 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569045 815312803 /nfs/dbraw/zinc/31/28/03/815312803.db2.gz HRMIQULMJFYKRI-MELADBBJSA-N 2 0 261.369 0.104 20 30 CCEDRP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001265068430 809703828 /nfs/dbraw/zinc/70/38/28/809703828.db2.gz JYYUMQRRFMBCRV-OAHLLOKOSA-N 2 0 297.443 0.969 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001265775042 809850225 /nfs/dbraw/zinc/85/02/25/809850225.db2.gz MKPBGOUNNWDUAF-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279436657 809978545 /nfs/dbraw/zinc/97/85/45/809978545.db2.gz MRBWQXYGFFPLMV-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001267380250 811248320 /nfs/dbraw/zinc/24/83/20/811248320.db2.gz SPEROTHQWNWOHD-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001267447591 811310819 /nfs/dbraw/zinc/31/08/19/811310819.db2.gz WUBFGNRAHCNNGI-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCN1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083274850 811431509 /nfs/dbraw/zinc/43/15/09/811431509.db2.gz CIARAMOLDPYWJB-UONOGXRCSA-N 2 0 279.384 0.180 20 30 CCEDRP C#CCN1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267750165 811744084 /nfs/dbraw/zinc/74/40/84/811744084.db2.gz YORFFYAJNAUTMC-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864328 811843492 /nfs/dbraw/zinc/84/34/92/811843492.db2.gz BJSCJULGZVXZCF-CZUORRHYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001267930233 811875206 /nfs/dbraw/zinc/87/52/06/811875206.db2.gz ZGSSGUMJFSZADW-HDJSIYSDSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CCC)C(C)C ZINC001268221103 812372739 /nfs/dbraw/zinc/37/27/39/812372739.db2.gz FINYDRAAJCEWAV-ZDUSSCGKSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028545895 812834463 /nfs/dbraw/zinc/83/44/63/812834463.db2.gz UQYRWTCRKBRFHW-HIFRSBDPSA-N 2 0 277.412 0.952 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001028580379 812863401 /nfs/dbraw/zinc/86/34/01/812863401.db2.gz VNSJFIRZAYUFAS-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC)CC1 ZINC001268674629 812995369 /nfs/dbraw/zinc/99/53/69/812995369.db2.gz XGHCEPPDFMTGDU-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC=C ZINC001268733522 813048840 /nfs/dbraw/zinc/04/88/40/813048840.db2.gz HZNZEYGBHAQOSQ-KGLIPLIRSA-N 2 0 263.385 0.707 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)CC[N@@H+](C)CC)C1CC1 ZINC001269134973 813233500 /nfs/dbraw/zinc/23/35/00/813233500.db2.gz FTILDZJFCGMQSB-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159976 814059372 /nfs/dbraw/zinc/05/93/72/814059372.db2.gz KEVUDRPDVXRJPE-GHMZBOCLSA-N 2 0 291.317 0.550 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168022386 814206468 /nfs/dbraw/zinc/20/64/68/814206468.db2.gz ODYPAAQHTFFVCD-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168051720 814409082 /nfs/dbraw/zinc/40/90/82/814409082.db2.gz HHQFNZKQDNRHRM-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945015 816019906 /nfs/dbraw/zinc/01/99/06/816019906.db2.gz HWEKUSSFSPAERL-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857431 816084811 /nfs/dbraw/zinc/08/48/11/816084811.db2.gz PBPZTNLUJCBKIK-MCIONIFRSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001088899699 816166511 /nfs/dbraw/zinc/16/65/11/816166511.db2.gz VHFATAXTHYOYFB-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257365 816493472 /nfs/dbraw/zinc/49/34/72/816493472.db2.gz XWXMVRKKKFOQLK-GJZGRUSLSA-N 2 0 295.427 0.769 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC001122046323 816556128 /nfs/dbraw/zinc/55/61/28/816556128.db2.gz BGMJPUIXBGHSCT-FRRDWIJNSA-N 2 0 269.389 0.492 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001272536561 816560110 /nfs/dbraw/zinc/56/01/10/816560110.db2.gz GVVOGDZOAAWLAM-AWEZNQCLSA-N 2 0 283.416 0.361 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685184 817447908 /nfs/dbraw/zinc/44/79/08/817447908.db2.gz GKYOFBFVEFFCJV-GHMZBOCLSA-N 2 0 259.781 0.785 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031921638 817464511 /nfs/dbraw/zinc/46/45/11/817464511.db2.gz XKBBLFULOOMUQA-OAHLLOKOSA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976693 817514414 /nfs/dbraw/zinc/51/44/14/817514414.db2.gz QSCMTWJBMUZHRV-OCCSQVGLSA-N 2 0 265.401 0.808 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976691 817514667 /nfs/dbraw/zinc/51/46/67/817514667.db2.gz QSCMTWJBMUZHRV-GXTWGEPZSA-N 2 0 265.401 0.808 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780586 817625844 /nfs/dbraw/zinc/62/58/44/817625844.db2.gz DJDCONJUZWXVBE-MCIONIFRSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273031274 818489651 /nfs/dbraw/zinc/48/96/51/818489651.db2.gz TZYKYFXBSCJBCQ-MRXNPFEDSA-N 2 0 275.396 0.686 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033789894 818935351 /nfs/dbraw/zinc/93/53/51/818935351.db2.gz QZJSSOAOQITRRU-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128783131 819009530 /nfs/dbraw/zinc/00/95/30/819009530.db2.gz FTOBAJJVLXTXPI-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526363 819228335 /nfs/dbraw/zinc/22/83/35/819228335.db2.gz XMMWGDNZAMLSFA-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526362 819228775 /nfs/dbraw/zinc/22/87/75/819228775.db2.gz XMMWGDNZAMLSFA-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C[NH+]1CCCCC1)C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001273145482 819962201 /nfs/dbraw/zinc/96/22/01/819962201.db2.gz CMVXPLQJXGPMCW-UHFFFAOYSA-N 2 0 263.385 0.803 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080939779 820658242 /nfs/dbraw/zinc/65/82/42/820658242.db2.gz JMGHBHNXZVWQLP-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1C ZINC001082522131 820993773 /nfs/dbraw/zinc/99/37/73/820993773.db2.gz VEKGIVBYWLSQMQ-LXTVHRRPSA-N 2 0 277.412 0.786 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082920286 821060505 /nfs/dbraw/zinc/06/05/05/821060505.db2.gz XVIVMEAUJDMXPC-FRRDWIJNSA-N 2 0 251.374 0.561 20 30 CCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974048 821677665 /nfs/dbraw/zinc/67/76/65/821677665.db2.gz MNRXYAQQMPPOGE-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086087660 822108013 /nfs/dbraw/zinc/10/80/13/822108013.db2.gz JLKBDZCSIZNVAD-VHDGCEQUSA-N 2 0 275.396 0.446 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086367898 822227898 /nfs/dbraw/zinc/22/78/98/822227898.db2.gz JLKBDZCSIZNVAD-BPLDGKMQSA-N 2 0 275.396 0.446 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086371684 822229639 /nfs/dbraw/zinc/22/96/39/822229639.db2.gz SNUFQVULSGAKHN-KBUPBQIOSA-N 2 0 293.411 0.520 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086478780 822274077 /nfs/dbraw/zinc/27/40/77/822274077.db2.gz ZMGQXNLJQYDZTP-XUXIUFHCSA-N 2 0 263.385 0.302 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130188810 837717757 /nfs/dbraw/zinc/71/77/57/837717757.db2.gz KILMJQUXIPJOSB-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653084 836711655 /nfs/dbraw/zinc/71/16/55/836711655.db2.gz MYWKSFWOXPHAGH-RDBSUJKOSA-N 2 0 263.385 0.683 20 30 CCEDRP C=C(CC(=O)OCCCC)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184312056 844201208 /nfs/dbraw/zinc/20/12/08/844201208.db2.gz LSTXGDOBNOWNPQ-UHFFFAOYSA-N 2 0 298.387 0.737 20 30 CCEDRP C#CCN1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090436383 836780226 /nfs/dbraw/zinc/78/02/26/836780226.db2.gz QDDDSIPDDJZVEI-HUUCEWRRSA-N 2 0 298.346 0.133 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786580 838227641 /nfs/dbraw/zinc/22/76/41/838227641.db2.gz XOJSGYRHLAKIFE-ZDUSSCGKSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001086699801 838554323 /nfs/dbraw/zinc/55/43/23/838554323.db2.gz HMSVPXCNHIHBIW-LXTVHRRPSA-N 2 0 277.412 0.834 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001133294473 838590581 /nfs/dbraw/zinc/59/05/81/838590581.db2.gz KFIUKLRONUEBCU-UHFFFAOYSA-N 2 0 292.358 0.855 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133690582 838696586 /nfs/dbraw/zinc/69/65/86/838696586.db2.gz PMFCBTOMPYTMFH-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133862731 838753548 /nfs/dbraw/zinc/75/35/48/838753548.db2.gz FRVHYEQVBZUOHV-OLZOCXBDSA-N 2 0 269.389 0.093 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896021 838769501 /nfs/dbraw/zinc/76/95/01/838769501.db2.gz ASQVOYPRNKFAOH-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1C#N ZINC001170779101 839108843 /nfs/dbraw/zinc/10/88/43/839108843.db2.gz BUITUESUMNBQOF-JTQCSIJCSA-N 2 0 287.367 0.772 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135316280 839208267 /nfs/dbraw/zinc/20/82/67/839208267.db2.gz SRFMTDBDHOHONC-CABCVRRESA-N 2 0 297.443 0.851 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135928238 839472596 /nfs/dbraw/zinc/47/25/96/839472596.db2.gz RIZPSIWSGJISLO-UONOGXRCSA-N 2 0 283.416 0.461 20 30 CCEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923205 839472857 /nfs/dbraw/zinc/47/28/57/839472857.db2.gz IXBNQYIWLSDQLB-CHWSQXEVSA-N 2 0 271.405 0.624 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135957156 839482524 /nfs/dbraw/zinc/48/25/24/839482524.db2.gz YKEAJDDHKOZMNX-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958704 839484982 /nfs/dbraw/zinc/48/49/82/839484982.db2.gz DGAGVJTVIYRDPP-UHFFFAOYSA-N 2 0 299.415 0.006 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997571 839652527 /nfs/dbraw/zinc/65/25/27/839652527.db2.gz SFWLMGHAXSZGKO-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001091035631 839996026 /nfs/dbraw/zinc/99/60/26/839996026.db2.gz CRRYQMXBRGKJGV-BLYZHGLHSA-N 2 0 265.401 0.997 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186090175 844507659 /nfs/dbraw/zinc/50/76/59/844507659.db2.gz FRNIWOUYSVYZGO-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341134 840289659 /nfs/dbraw/zinc/28/96/59/840289659.db2.gz WJCMXWCLNAPZKK-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095057997 842023213 /nfs/dbraw/zinc/02/32/13/842023213.db2.gz ZUAKXYCBKAHROV-ZNMIVQPWSA-N 2 0 275.396 0.685 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001150334642 842170990 /nfs/dbraw/zinc/17/09/90/842170990.db2.gz YWAASLMVIDVSNZ-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176152713 842335075 /nfs/dbraw/zinc/33/50/75/842335075.db2.gz HIWZTVCEWGIABR-AWEZNQCLSA-N 2 0 283.416 0.627 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161438 842336007 /nfs/dbraw/zinc/33/60/07/842336007.db2.gz PXMAFRWYIXVIGO-AWEZNQCLSA-N 2 0 283.416 0.627 20 30 CCEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176164426 842338472 /nfs/dbraw/zinc/33/84/72/842338472.db2.gz BXZZXGBRALZINR-OAHLLOKOSA-N 2 0 297.443 0.853 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715546 842911541 /nfs/dbraw/zinc/91/15/41/842911541.db2.gz CYDYVKDSRISZCY-IMJJTQAJSA-N 2 0 289.423 0.931 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481974 843006535 /nfs/dbraw/zinc/00/65/35/843006535.db2.gz NIVNTUHFAUEEHD-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979170 845025531 /nfs/dbraw/zinc/02/55/31/845025531.db2.gz JVIKEHNCHOLPLA-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001273591331 845307378 /nfs/dbraw/zinc/30/73/78/845307378.db2.gz OFPXIQDOIDWOBV-ZDUSSCGKSA-N 2 0 251.374 0.352 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190666925 845447653 /nfs/dbraw/zinc/44/76/53/845447653.db2.gz PTWRLMBEIZIJIQ-HUUCEWRRSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192141497 845798364 /nfs/dbraw/zinc/79/83/64/845798364.db2.gz CKHRONPBCODYBY-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487917 846091908 /nfs/dbraw/zinc/09/19/08/846091908.db2.gz HMPTWKUHSYJADV-CQSZACIVSA-N 2 0 283.416 0.673 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193488199 846092815 /nfs/dbraw/zinc/09/28/15/846092815.db2.gz MMKKRYZCTJFVHU-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039247 846195772 /nfs/dbraw/zinc/19/57/72/846195772.db2.gz MBBYMWXDZAXPJQ-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194009446 846196445 /nfs/dbraw/zinc/19/64/45/846196445.db2.gz DFEGNWSITHDBQT-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197536504 846928675 /nfs/dbraw/zinc/92/86/75/846928675.db2.gz WACVVEVJGBMHPJ-RRFJBIMHSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001251891817 847359925 /nfs/dbraw/zinc/35/99/25/847359925.db2.gz ZUIUYDCCVUMTSQ-ZDUSSCGKSA-N 2 0 252.358 0.073 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277843 847758787 /nfs/dbraw/zinc/75/87/87/847758787.db2.gz YNLZQGDDXOOVRE-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201308786 847762367 /nfs/dbraw/zinc/76/23/67/847762367.db2.gz DPFOGEHZNHGPFH-HNNXBMFYSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CCCO1 ZINC001201405084 847775425 /nfs/dbraw/zinc/77/54/25/847775425.db2.gz ZZFLBGHQYDCFFU-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202295965 847883797 /nfs/dbraw/zinc/88/37/97/847883797.db2.gz CTPMTUBZQDWJKS-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001252473989 847979736 /nfs/dbraw/zinc/97/97/36/847979736.db2.gz UKVPGAXBNUPNGI-ZNMIVQPWSA-N 2 0 268.401 0.824 20 30 CCEDRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CCCC#N)C2)C1=O ZINC001274040528 848314803 /nfs/dbraw/zinc/31/48/03/848314803.db2.gz UFXWOBYLISLMHM-OAHLLOKOSA-N 2 0 278.400 0.776 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001274280965 848438468 /nfs/dbraw/zinc/43/84/68/848438468.db2.gz QFGCJVGPEJDXTG-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274964245 848601797 /nfs/dbraw/zinc/60/17/97/848601797.db2.gz FLFXBVUHXIVFDT-GASCZTMLSA-N 2 0 267.417 0.899 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274964324 848601811 /nfs/dbraw/zinc/60/18/11/848601811.db2.gz IRFJWNQKJARNBL-CABCVRRESA-N 2 0 267.417 0.899 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275468555 848729005 /nfs/dbraw/zinc/72/90/05/848729005.db2.gz DGXCQUJZZDXQMY-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)CC#CCOC ZINC001275689533 848792654 /nfs/dbraw/zinc/79/26/54/848792654.db2.gz HXECUUZESBACNN-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976468 849036332 /nfs/dbraw/zinc/03/63/32/849036332.db2.gz MULZIBHDGDVGFQ-UPJWGTAASA-N 2 0 251.374 0.846 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750939 849385708 /nfs/dbraw/zinc/38/57/08/849385708.db2.gz RBYJECUOJHOXIB-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778666 849391791 /nfs/dbraw/zinc/39/17/91/849391791.db2.gz PAHWDUPLGSGISF-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001276333799 849426195 /nfs/dbraw/zinc/42/61/95/849426195.db2.gz WZCPZBIMMXXDKC-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046331224 851469661 /nfs/dbraw/zinc/46/96/61/851469661.db2.gz HFSTVRGMFFFKLM-NFAWXSAZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001046570326 851551047 /nfs/dbraw/zinc/55/10/47/851551047.db2.gz ZCPLWXOMGJWGFF-DZKIICNBSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046772640 851608736 /nfs/dbraw/zinc/60/87/36/851608736.db2.gz GUHXCBGPTIFZNT-CQSZACIVSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897016 852102802 /nfs/dbraw/zinc/10/28/02/852102802.db2.gz NVUFMEBXLGFPIZ-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392188 852256715 /nfs/dbraw/zinc/25/67/15/852256715.db2.gz VVDONHDEEFFCGR-RRFJBIMHSA-N 2 0 293.411 0.568 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001096606886 852401604 /nfs/dbraw/zinc/40/16/04/852401604.db2.gz RMQYXKHVLRZZBN-IKGGRYGDSA-N 2 0 299.418 0.686 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052872201 852665470 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C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481507437 892757349 /nfs/dbraw/zinc/75/73/49/892757349.db2.gz YICPHUKFHZRYJT-LSDHHAIUSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001482020435 893312844 /nfs/dbraw/zinc/31/28/44/893312844.db2.gz GIQSPSWSTSMHHM-IHRRRGAJSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001482068177 893351163 /nfs/dbraw/zinc/35/11/63/893351163.db2.gz FPKDMTQMPMAGFR-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP C=CC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001482139483 893433524 /nfs/dbraw/zinc/43/35/24/893433524.db2.gz WIOBXZCLEKYMCP-LBPRGKRZSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001500358559 893784949 /nfs/dbraw/zinc/78/49/49/893784949.db2.gz UKWGZVSTYBDMNA-GOEBONIOSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482428824 893975642 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C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001484691977 896538243 /nfs/dbraw/zinc/53/82/43/896538243.db2.gz AETXWYGZCSUICX-KGLIPLIRSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001484926187 896667684 /nfs/dbraw/zinc/66/76/84/896667684.db2.gz KUKRGBNCZVLRMM-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001484954077 896684049 /nfs/dbraw/zinc/68/40/49/896684049.db2.gz DGNVMEMCHHAWHQ-UHFFFAOYSA-N 2 0 292.383 0.471 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001485161210 896831965 /nfs/dbraw/zinc/83/19/65/896831965.db2.gz AYJSSJGECOTHOT-KBPBESRZSA-N 2 0 295.427 0.461 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001327131462 914391575 /nfs/dbraw/zinc/39/15/75/914391575.db2.gz RUMXZGXMRJPWNL-VXGBXAGGSA-N 2 0 264.373 0.656 20 30 CCEDRP C=CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001490251111 900579207 /nfs/dbraw/zinc/57/92/07/900579207.db2.gz WSOKZCIGMYFTLB-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001490459517 900644150 /nfs/dbraw/zinc/64/41/50/900644150.db2.gz RHHPLTSMZVQKKM-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001490607569 900678364 /nfs/dbraw/zinc/67/83/64/900678364.db2.gz YQUKAWLVECLGFE-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001490739665 900712365 /nfs/dbraw/zinc/71/23/65/900712365.db2.gz JRXZVGGUMLYRBK-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490741598 900713512 /nfs/dbraw/zinc/71/35/12/900713512.db2.gz WKNASSZYNHWKJW-KGLIPLIRSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001320284216 900921212 /nfs/dbraw/zinc/92/12/12/900921212.db2.gz UBSIZEYOPCMSPM-CQSZACIVSA-N 2 0 283.416 0.361 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001490897493 903184840 /nfs/dbraw/zinc/18/48/40/903184840.db2.gz KKWNOWWNQSXMLH-JOCQHMNTSA-N 2 0 263.385 0.731 20 30 CCEDRP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210521831 903826169 /nfs/dbraw/zinc/82/61/69/903826169.db2.gz VLNAOBUBHQYDBL-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C ZINC001491565297 903995857 /nfs/dbraw/zinc/99/58/57/903995857.db2.gz NQAJYNLVTFNMRN-CYBMUJFWSA-N 2 0 269.389 0.072 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282412974 904471795 /nfs/dbraw/zinc/47/17/95/904471795.db2.gz OTHAOCHKUVQDNX-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001282861662 904554918 /nfs/dbraw/zinc/55/49/18/904554918.db2.gz PXCPCBHLVIXTMB-JONQDZQNSA-N 2 0 291.439 0.890 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491638697 907473791 /nfs/dbraw/zinc/47/37/91/907473791.db2.gz AUHDRUSZIKTTTQ-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317414230 908211146 /nfs/dbraw/zinc/21/11/46/908211146.db2.gz OMZHKFNSVLVTJH-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C[C@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC001311397527 908549574 /nfs/dbraw/zinc/54/95/74/908549574.db2.gz FGNBPIZPRXXPFN-LSDHHAIUSA-N 2 0 294.443 0.971 20 30 CCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316744165 908566165 /nfs/dbraw/zinc/56/61/65/908566165.db2.gz MFDNIWKXRKYDDZ-LSDHHAIUSA-N 2 0 295.427 0.552 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001316987558 908900801 /nfs/dbraw/zinc/90/08/01/908900801.db2.gz TZEHBTVNRMHMIK-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316994818 908909020 /nfs/dbraw/zinc/90/90/20/908909020.db2.gz LPZPXIYAEUFHCE-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317011641 908914911 /nfs/dbraw/zinc/91/49/11/908914911.db2.gz OUZJRITZGGJACA-UONOGXRCSA-N 2 0 263.385 0.588 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001317302933 909128247 /nfs/dbraw/zinc/12/82/47/909128247.db2.gz YZBVTTRSGVBCHI-AWEZNQCLSA-N 2 0 275.396 0.829 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317531175 909298029 /nfs/dbraw/zinc/29/80/29/909298029.db2.gz RZVHEMPFWFPPPB-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317545925 909310419 /nfs/dbraw/zinc/31/04/19/909310419.db2.gz LOBLHWMBPGSGRG-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317661576 909456730 /nfs/dbraw/zinc/45/67/30/909456730.db2.gz OKFZFIQNAPRNMV-ZDUSSCGKSA-N 2 0 269.389 0.189 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001318603037 909830667 /nfs/dbraw/zinc/83/06/67/909830667.db2.gz NIJUSQWTVDATNU-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CN(CC)CCO1 ZINC001318603036 909830750 /nfs/dbraw/zinc/83/07/50/909830750.db2.gz NIJUSQWTVDATNU-UONOGXRCSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+]C[C@](C)(NC(=O)CC[N@@H+](C)CC)C1CC1 ZINC001318728371 909873431 /nfs/dbraw/zinc/87/34/31/909873431.db2.gz NGRBZMMSCQPGAG-HNNXBMFYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001319915832 910351077 /nfs/dbraw/zinc/35/10/77/910351077.db2.gz LVGJIADIOXIDJM-MGPQQGTHSA-N 2 0 265.401 0.690 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320421580 910670989 /nfs/dbraw/zinc/67/09/89/910670989.db2.gz LUOBPVKEUMYCJY-RBSFLKMASA-N 2 0 295.427 0.461 20 30 CCEDRP C=CC[NH2+]C/C=C\CNC(=O)C1CC[NH+](C)CC1 ZINC001321221604 911172673 /nfs/dbraw/zinc/17/26/73/911172673.db2.gz HXMWUHJTUKSBJV-PLNGDYQASA-N 2 0 251.374 0.776 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001321417484 911286691 /nfs/dbraw/zinc/28/66/91/911286691.db2.gz SHDBENBBULJIOR-AATRIKPKSA-N 2 0 273.380 0.227 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321563236 911372845 /nfs/dbraw/zinc/37/28/45/911372845.db2.gz JBIVCSSWRZQDIH-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001329398248 915878517 /nfs/dbraw/zinc/87/85/17/915878517.db2.gz SKGSHLZCKFAMOW-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329514107 915978853 /nfs/dbraw/zinc/97/88/53/915978853.db2.gz AIGHMZGZDXXGJR-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CN(C)CCO1 ZINC001329876642 916247856 /nfs/dbraw/zinc/24/78/56/916247856.db2.gz RCIFGDHPEGRZDZ-LSDHHAIUSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001330432929 916627785 /nfs/dbraw/zinc/62/77/85/916627785.db2.gz YRXBFKDPWVHQLO-DZGCQCFKSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001330925575 916970881 /nfs/dbraw/zinc/97/08/81/916970881.db2.gz BWRQMOXCYVLPOO-LBPRGKRZSA-N 2 0 262.357 0.850 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331530579 917400636 /nfs/dbraw/zinc/40/06/36/917400636.db2.gz BMVYNYVCDUPRAP-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001332662410 918365738 /nfs/dbraw/zinc/36/57/38/918365738.db2.gz FHEJXKFOJOHLFD-AWEZNQCLSA-N 2 0 283.416 0.103 20 30 CCEDRP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001333049107 918623180 /nfs/dbraw/zinc/62/31/80/918623180.db2.gz MWNWMPZUVKJUJG-JXQTWKCFSA-N 2 0 281.400 0.472 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001333370315 918844110 /nfs/dbraw/zinc/84/41/10/918844110.db2.gz HTRNHTUKHDFNEI-AEJSXWLSSA-N 2 0 292.305 0.603 20 30 CCEDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001335352885 920140800 /nfs/dbraw/zinc/14/08/00/920140800.db2.gz VYDTYJZQXFEPCD-AWEZNQCLSA-N 2 0 282.432 0.514 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001336877830 921077497 /nfs/dbraw/zinc/07/74/97/921077497.db2.gz UCEQIXQYRYVXJF-GFCCVEGCSA-N 2 0 266.389 0.239 20 30 CCEDRP C[NH2+]C[C@@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001340956943 922293781 /nfs/dbraw/zinc/29/37/81/922293781.db2.gz DACGGPFCGAFOHO-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1[NH3+] ZINC001341081539 922341101 /nfs/dbraw/zinc/34/11/01/922341101.db2.gz ZJVFULWISMZWCQ-GHMZBOCLSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC001341665517 922614580 /nfs/dbraw/zinc/61/45/80/922614580.db2.gz ODADXFINXZGMNR-INIZCTEOSA-N 2 0 285.391 0.945 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001341731140 922649136 /nfs/dbraw/zinc/64/91/36/922649136.db2.gz BYKRASHERSKHDP-OLZOCXBDSA-N 2 0 268.405 0.032 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001343764638 923462831 /nfs/dbraw/zinc/46/28/31/923462831.db2.gz KABRMARIEPLCLF-OLZOCXBDSA-N 2 0 266.389 0.904 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CCC[NH2+]1 ZINC001344877147 923717841 /nfs/dbraw/zinc/71/78/41/923717841.db2.gz OGZAUYLNHBUURY-OUCADQQQSA-N 2 0 251.374 0.894 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001355498701 926273159 /nfs/dbraw/zinc/27/31/59/926273159.db2.gz SEZDGGUNEPKIEC-WISYIIOYSA-N 2 0 250.346 0.407 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C#N)nc1 ZINC000115371133 349853359 /nfs/dbraw/zinc/85/33/59/349853359.db2.gz GHQHOWSRCSALQM-UHFFFAOYSA-N 2 0 289.383 0.519 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602532457 362660961 /nfs/dbraw/zinc/66/09/61/362660961.db2.gz XRXNNCYUWUGRPP-OLZOCXBDSA-N 2 0 266.389 0.854 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602582372 362690939 /nfs/dbraw/zinc/69/09/39/362690939.db2.gz XOHMPKJEFPXVQO-RYUDHWBXSA-N 2 0 252.362 0.737 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602592704 362697762 /nfs/dbraw/zinc/69/77/62/362697762.db2.gz KVFMKINVMVLIOF-UHFFFAOYSA-N 2 0 273.384 0.680 20 30 CCEDRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NCC#N ZINC000603113097 362967660 /nfs/dbraw/zinc/96/76/60/362967660.db2.gz YRUALQMFKUGHGZ-UHFFFAOYSA-N 2 0 266.389 0.824 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=O)CC2(C#N)CC2)CC1 ZINC000590292074 359435705 /nfs/dbraw/zinc/43/57/05/359435705.db2.gz CKEGENHWHJBIBL-UHFFFAOYSA-N 2 0 278.400 0.822 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+](C)C1CC1 ZINC000594437111 360306247 /nfs/dbraw/zinc/30/62/47/360306247.db2.gz IAZBDNQIOYRNSC-YPMHNXCESA-N 2 0 266.389 0.997 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000594424593 360300277 /nfs/dbraw/zinc/30/02/77/360300277.db2.gz GKPGSUIALBMAIJ-NSHDSACASA-N 2 0 252.362 0.785 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000594436599 360304189 /nfs/dbraw/zinc/30/41/89/360304189.db2.gz OEXBIDZLKWKWND-RKDXNWHRSA-N 2 0 280.294 0.794 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000594441077 360309883 /nfs/dbraw/zinc/30/98/83/360309883.db2.gz MJWGEAYXASWUJS-OCCSQVGLSA-N 2 0 278.400 0.998 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@H]1[NH3+] ZINC000594441489 360309924 /nfs/dbraw/zinc/30/99/24/360309924.db2.gz JJKXDFCKRNTDSF-JHJVBQTASA-N 2 0 266.389 0.983 20 30 CCEDRP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441648 360310694 /nfs/dbraw/zinc/31/06/94/360310694.db2.gz UFJCOWURJFIZCJ-GFCCVEGCSA-N 2 0 254.378 0.856 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000594444274 360312092 /nfs/dbraw/zinc/31/20/92/360312092.db2.gz NNWCXMUDPWDIIG-FRRDWIJNSA-N 2 0 264.373 0.608 20 30 CCEDRP COCC1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]CC1 ZINC000594444747 360313201 /nfs/dbraw/zinc/31/32/01/360313201.db2.gz XAXMWVPPPTWMSQ-ZDUSSCGKSA-N 2 0 296.415 0.530 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@@]1(C)C[NH3+] ZINC000594450054 360315272 /nfs/dbraw/zinc/31/52/72/360315272.db2.gz RVCQXSNKCSQZKW-YRGRVCCFSA-N 2 0 266.389 0.841 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612878990 364032276 /nfs/dbraw/zinc/03/22/76/364032276.db2.gz PUSOMBAVHXVMAM-AWEZNQCLSA-N 2 0 266.389 0.688 20 30 CCEDRP C=CCCCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000574666726 335038343 /nfs/dbraw/zinc/03/83/43/335038343.db2.gz VSBNFKQUNBPICT-LBPRGKRZSA-N 2 0 254.378 0.627 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220702808 804651430 /nfs/dbraw/zinc/65/14/30/804651430.db2.gz LTUOSWXKXVJJJO-RYUDHWBXSA-N 2 0 254.378 0.887 20 30 CCEDRP C[N@H+]1CC=C(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000574756874 335044954 /nfs/dbraw/zinc/04/49/54/335044954.db2.gz GFJPILNLPGCHIL-UHFFFAOYSA-N 2 0 282.351 0.952 20 30 CCEDRP C=CCC[C@@H](O)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000305095025 389084742 /nfs/dbraw/zinc/08/47/42/389084742.db2.gz RRNVREJIYNPHTM-CYBMUJFWSA-N 2 0 269.389 0.019 20 30 CCEDRP CCCCCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305233085 389085990 /nfs/dbraw/zinc/08/59/90/389085990.db2.gz ZJHDRRDUEYIPQD-ZDUSSCGKSA-N 2 0 267.421 0.471 20 30 CCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@H](CO)C2)C[C@@H]1CO ZINC000342133591 389197143 /nfs/dbraw/zinc/19/71/43/389197143.db2.gz RGIZQDGPRHVBPC-SYMSYNOKSA-N 2 0 280.412 0.110 20 30 CCEDRP CN(C)C(=[NH+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(C)C ZINC000360573285 389199925 /nfs/dbraw/zinc/19/99/25/389199925.db2.gz PZBLMYFIZKGIHH-NWDGAFQWSA-N 2 0 254.378 0.329 20 30 CCEDRP CC#CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367166953 389324902 /nfs/dbraw/zinc/32/49/02/389324902.db2.gz BNVLSHBDCRJHRV-ZDUSSCGKSA-N 2 0 278.400 0.477 20 30 CCEDRP C[NH+]=C(NCCn1cccc1)NC[C@@H]1CC[N@H+](C)C1 ZINC000261864607 389278253 /nfs/dbraw/zinc/27/82/53/389278253.db2.gz ZVFMNGJEKUAOOW-ZDUSSCGKSA-N 2 0 263.389 0.605 20 30 CCEDRP C[NH+]=C(NCCn1ccnc1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261965270 389278564 /nfs/dbraw/zinc/27/85/64/389278564.db2.gz LGODPCLSUZOJQD-OCCSQVGLSA-N 2 0 290.415 0.531 20 30 CCEDRP C[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261980036 389279738 /nfs/dbraw/zinc/27/97/38/389279738.db2.gz OQUWSLYFWOEKGF-QMTHXVAHSA-N 2 0 290.415 0.866 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1snnc1C ZINC000262686144 389293631 /nfs/dbraw/zinc/29/36/31/389293631.db2.gz DOBJKMZPESYHNL-JTQLQIEISA-N 2 0 282.417 0.735 20 30 CCEDRP CCNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264153267 389309426 /nfs/dbraw/zinc/30/94/26/389309426.db2.gz ZSRRUGALQQFELJ-UHFFFAOYSA-N 2 0 276.388 0.258 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])CC)CC1 ZINC000417525802 389826860 /nfs/dbraw/zinc/82/68/60/389826860.db2.gz LKTMSJQVTXETDD-NSHDSACASA-N 2 0 254.378 0.673 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000352910966 389841190 /nfs/dbraw/zinc/84/11/90/389841190.db2.gz LPYJWYJUOILBOD-GFCCVEGCSA-N 2 0 268.405 0.886 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](CC)CC ZINC000491694615 390116150 /nfs/dbraw/zinc/11/61/50/390116150.db2.gz LNBMTFQVQJCKAX-UHFFFAOYSA-N 2 0 268.405 0.583 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC(CC[NH3+])CC2)C1=O ZINC000565096805 390499714 /nfs/dbraw/zinc/49/97/14/390499714.db2.gz YQAIQGSIGNHKBM-ZDUSSCGKSA-N 2 0 251.374 0.834 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000566125678 390582300 /nfs/dbraw/zinc/58/23/00/390582300.db2.gz UICIHXRXWSPDER-MRXNPFEDSA-N 2 0 294.443 0.657 20 30 CCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000530815676 390877245 /nfs/dbraw/zinc/87/72/45/390877245.db2.gz TUTCHOGTIXAONC-BETUJISGSA-N 2 0 278.400 0.963 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659450631 413510726 /nfs/dbraw/zinc/51/07/26/413510726.db2.gz UCHHOJOXDOFTCX-CHWSQXEVSA-N 2 0 284.379 0.718 20 30 CCEDRP C[C@H](O)[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661764199 414672520 /nfs/dbraw/zinc/67/25/20/414672520.db2.gz AXJVEUQISIJSLM-CAOSSQGBSA-N 2 0 280.412 0.680 20 30 CCEDRP C=C[C@H](CO)[NH2+]Cc1ccccc1C[NH2+][C@H](C=C)CO ZINC000662168442 414695173 /nfs/dbraw/zinc/69/51/73/414695173.db2.gz GQSNRNVGWZMABT-HZPDHXFCSA-N 2 0 276.380 0.960 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662765357 414773319 /nfs/dbraw/zinc/77/33/19/414773319.db2.gz FWEUNETWEFECOM-CABCVRRESA-N 2 0 263.385 0.897 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC[NH2+]1 ZINC000662785077 414792625 /nfs/dbraw/zinc/79/26/25/414792625.db2.gz YABUIMQVWPEURD-BXKDBHETSA-N 2 0 261.316 0.783 20 30 CCEDRP C[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@@H+](C)C[C@@H]1C ZINC000341883875 263362964 /nfs/dbraw/zinc/36/29/64/263362964.db2.gz PDEGPZJQKGBDHD-IYBDPMFKSA-N 2 0 278.444 0.262 20 30 CCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCCc2cccs2)C1 ZINC000262262906 330002968 /nfs/dbraw/zinc/00/29/68/330002968.db2.gz FFOVWKVRFZRNOQ-ZDUSSCGKSA-N 2 0 282.413 0.262 20 30 CCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCCCC2)C1 ZINC000262276081 330003721 /nfs/dbraw/zinc/00/37/21/330003721.db2.gz HWFRWYNNRLNFRC-ZDUSSCGKSA-N 2 0 254.378 0.290 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000262437402 330012773 /nfs/dbraw/zinc/01/27/73/330012773.db2.gz GRKRWKPFLSMMKG-GFCCVEGCSA-N 2 0 280.416 0.896 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262587164 330022234 /nfs/dbraw/zinc/02/22/34/330022234.db2.gz SWNMTKQOVBDQHR-GFCCVEGCSA-N 2 0 296.415 0.399 20 30 CCEDRP C#CCNC(NCC1(N2CCOCC2)CCCCC1)=[NH+]C ZINC000263279268 330051633 /nfs/dbraw/zinc/05/16/33/330051633.db2.gz ZMAXZUNYNCVMBY-UHFFFAOYSA-N 2 0 292.427 0.820 20 30 CCEDRP CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[NH2+]C1 ZINC000424078897 330221268 /nfs/dbraw/zinc/22/12/68/330221268.db2.gz QPLHEAKEBYQCSK-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000424145247 330290413 /nfs/dbraw/zinc/29/04/13/330290413.db2.gz NDDXJTXFOBZOLQ-GFCCVEGCSA-N 2 0 284.323 0.649 20 30 CCEDRP C[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424158988 330305804 /nfs/dbraw/zinc/30/58/04/330305804.db2.gz RTSYHXBHWSJTAU-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000490635620 332098235 /nfs/dbraw/zinc/09/82/35/332098235.db2.gz IIYCQRFGRTZDKE-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2CC)CC1 ZINC000491504870 332224583 /nfs/dbraw/zinc/22/45/83/332224583.db2.gz JKNQJNXKBSURIT-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000491631728 332254333 /nfs/dbraw/zinc/25/43/33/332254333.db2.gz YVQRQUQNOKXLBZ-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH2+]C(C)C ZINC000491734317 332315032 /nfs/dbraw/zinc/31/50/32/332315032.db2.gz BKQHIAQKURUDAA-UHFFFAOYSA-N 2 0 268.405 0.629 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000491782321 332346180 /nfs/dbraw/zinc/34/61/80/332346180.db2.gz OZBBKGSBVHIPGN-JTQLQIEISA-N 2 0 276.331 0.223 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000491809121 332361901 /nfs/dbraw/zinc/36/19/01/332361901.db2.gz GAQXJMXRBIUAGE-ZDUSSCGKSA-N 2 0 251.374 0.447 20 30 CCEDRP COC(=O)CCC[NH+]1CCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000779795535 581206179 /nfs/dbraw/zinc/20/61/79/581206179.db2.gz VQANFFYYQAGQFR-LLVKDONJSA-N 2 0 295.387 0.329 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764056259 582029712 /nfs/dbraw/zinc/02/97/12/582029712.db2.gz KJUOFBRYZHILQM-OKILXGFUSA-N 2 0 283.416 0.720 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000764582731 582057242 /nfs/dbraw/zinc/05/72/42/582057242.db2.gz KBCLMLHSUSYYEF-AWEZNQCLSA-N 2 0 281.400 0.285 20 30 CCEDRP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000852795378 617179904 /nfs/dbraw/zinc/17/99/04/617179904.db2.gz XRIUROFQDFWYQJ-TZMCWYRMSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000886353937 613046985 /nfs/dbraw/zinc/04/69/85/613046985.db2.gz SPWBPRWQOYTHKW-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000886573850 613069509 /nfs/dbraw/zinc/06/95/09/613069509.db2.gz YYKJJELZLRKKAE-CQSZACIVSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851661579 613074065 /nfs/dbraw/zinc/07/40/65/613074065.db2.gz LKXJRAYWIKLDLA-VXGBXAGGSA-N 2 0 270.352 0.022 20 30 CCEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000960328142 612971534 /nfs/dbraw/zinc/97/15/34/612971534.db2.gz ABBARQZQYIKVRN-USXIJHARSA-N 2 0 297.402 0.943 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977924084 613041429 /nfs/dbraw/zinc/04/14/29/613041429.db2.gz VMKKQFUMWMSADD-XQLPTFJDSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962559403 613043537 /nfs/dbraw/zinc/04/35/37/613043537.db2.gz VPGBMHGCWDUWCQ-MQYQWHSLSA-N 2 0 261.369 0.008 20 30 CCEDRP C#C[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000820429443 613115275 /nfs/dbraw/zinc/11/52/75/613115275.db2.gz WOBBDQUQIJSFLO-LBPRGKRZSA-N 2 0 254.378 0.143 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC)C2)CC1 ZINC000970919125 613131181 /nfs/dbraw/zinc/13/11/81/613131181.db2.gz BKHGCJMFLXUHBS-ZDUSSCGKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000928655577 613132908 /nfs/dbraw/zinc/13/29/08/613132908.db2.gz ZRKCAQDJJPNBRL-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000922478411 613134727 /nfs/dbraw/zinc/13/47/27/613134727.db2.gz OHCDQTRJJJLSFI-LBPRGKRZSA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000928648341 613136809 /nfs/dbraw/zinc/13/68/09/613136809.db2.gz LBNBESQRQUYIDU-HUUCEWRRSA-N 2 0 291.395 0.063 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598133 613225186 /nfs/dbraw/zinc/22/51/86/613225186.db2.gz RVIPKIWBGLGZNH-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000961787409 613313596 /nfs/dbraw/zinc/31/35/96/613313596.db2.gz KBZLGCURDILLOD-CXTNEJHOSA-N 2 0 261.369 0.008 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374794 613339092 /nfs/dbraw/zinc/33/90/92/613339092.db2.gz OHDNBJCMMCAYJN-LSDHHAIUSA-N 2 0 295.427 0.313 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000908526779 613365053 /nfs/dbraw/zinc/36/50/53/613365053.db2.gz OFPWPLUUMKCPLU-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000900605781 613365276 /nfs/dbraw/zinc/36/52/76/613365276.db2.gz MJLOMCRAZKIMHW-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854568855 613365915 /nfs/dbraw/zinc/36/59/15/613365915.db2.gz FLYAWPCCQUNGRE-CQSZACIVSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(Cl)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852743221 613374099 /nfs/dbraw/zinc/37/40/99/613374099.db2.gz BQNXWPHDPBZKGC-GFCCVEGCSA-N 2 0 271.792 0.883 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876539231 613387576 /nfs/dbraw/zinc/38/75/76/613387576.db2.gz ZSURTTJGKMZFFB-OUAUKWLOSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872264390 613387629 /nfs/dbraw/zinc/38/76/29/613387629.db2.gz SBYIKVOSHSPVDQ-RTXFEEFZSA-N 2 0 271.792 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877272940 613389281 /nfs/dbraw/zinc/38/92/81/613389281.db2.gz LVWURACJWKZPGP-GARJFASQSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN(C)CCC[NH+](C)C ZINC000876960254 613390000 /nfs/dbraw/zinc/39/00/00/613390000.db2.gz BOVVYIHPYGRANV-LBPRGKRZSA-N 2 0 290.839 0.456 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000876847607 613390117 /nfs/dbraw/zinc/39/01/17/613390117.db2.gz CUTCYCGOKXYFOX-JQWIXIFHSA-N 2 0 275.780 0.341 20 30 CCEDRP C=C1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000905570578 613413977 /nfs/dbraw/zinc/41/39/77/613413977.db2.gz ZAUVZZJJKJNHCO-INIZCTEOSA-N 2 0 281.444 0.931 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000957342772 613502416 /nfs/dbraw/zinc/50/24/16/613502416.db2.gz GWHZEGJHHIPNIA-UHFFFAOYSA-N 2 0 263.385 0.803 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549146 613571842 /nfs/dbraw/zinc/57/18/42/613571842.db2.gz NKLFMARTEGVVSG-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923411842 613586717 /nfs/dbraw/zinc/58/67/17/613586717.db2.gz SNIURNKXDPDVTP-QWHCGFSZSA-N 2 0 265.361 0.311 20 30 CCEDRP C=CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H](C)COC ZINC000923387868 613651236 /nfs/dbraw/zinc/65/12/36/613651236.db2.gz ZVQLOFPDXUKYOO-OLZOCXBDSA-N 2 0 254.374 0.888 20 30 CCEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208731 613692817 /nfs/dbraw/zinc/69/28/17/613692817.db2.gz BSFNEUMRBZXDMU-GJZGRUSLSA-N 2 0 293.411 0.570 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961595026 613840421 /nfs/dbraw/zinc/84/04/21/613840421.db2.gz HLKOPMDBMVFDRO-BTFPBAQTSA-N 2 0 277.412 0.949 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC000939424568 613868941 /nfs/dbraw/zinc/86/89/41/613868941.db2.gz XZBNGHZAOVMEKO-UKRRQHHQSA-N 2 0 295.427 0.720 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000872299634 614549992 /nfs/dbraw/zinc/54/99/92/614549992.db2.gz NRLXXPPVQADCNC-NSHDSACASA-N 2 0 252.362 0.608 20 30 CCEDRP CCC([NH3+])(CC)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884039003 614586427 /nfs/dbraw/zinc/58/64/27/614586427.db2.gz BAWHUUYFDGMLJZ-LXVYMNJGSA-N 2 0 278.400 0.759 20 30 CCEDRP CC[NH+](CC)CCSCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844195704 614999349 /nfs/dbraw/zinc/99/93/49/614999349.db2.gz YJCSPPAHDQPYSN-NWDGAFQWSA-N 2 0 284.429 0.289 20 30 CCEDRP CCN(CCO)c1ccc(C=NNC(N)=[NH2+])c(C)c1 ZINC000915050700 615055611 /nfs/dbraw/zinc/05/56/11/615055611.db2.gz FSOBMPUCHWCHII-UHFFFAOYSA-N 2 0 263.345 0.631 20 30 CCEDRP CC[C@@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876865079 615523499 /nfs/dbraw/zinc/52/34/99/615523499.db2.gz ZAXKWKYZHYPCFX-OCCSQVGLSA-N 2 0 272.352 0.599 20 30 CCEDRP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CC[NH2+]C1 ZINC000867963770 615868461 /nfs/dbraw/zinc/86/84/61/615868461.db2.gz QRTPXFPKFANEGI-DZGCQCFKSA-N 2 0 284.363 0.565 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@H]21 ZINC000877248493 616310386 /nfs/dbraw/zinc/31/03/86/616310386.db2.gz ACFRLGPUFYIJOF-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP COCC1(CNC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000852879327 616766389 /nfs/dbraw/zinc/76/63/89/616766389.db2.gz VAOPWEPNKASYAL-UHFFFAOYSA-N 2 0 293.411 0.122 20 30 CCEDRP C[NH2+]CCN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876792398 616955428 /nfs/dbraw/zinc/95/54/28/616955428.db2.gz UZQAIDDNFOISAD-AWEZNQCLSA-N 2 0 272.352 0.423 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099972 625333319 /nfs/dbraw/zinc/33/33/19/625333319.db2.gz PILIRHDZTHEJMC-AALSBFMBSA-N 2 0 287.407 0.683 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC1CCC([NH2+]CCO)CC1 ZINC001026508669 625464722 /nfs/dbraw/zinc/46/47/22/625464722.db2.gz DTORHUVNJOPKAA-NRXISQOPSA-N 2 0 293.411 0.093 20 30 CCEDRP CCNC(NC[C@H]1C[N@H+](CC(C)C)CCO1)=[NH+]CC ZINC000195522028 625619938 /nfs/dbraw/zinc/61/99/38/625619938.db2.gz KHSHWRWRMKOIRH-ZDUSSCGKSA-N 2 0 270.421 0.918 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N(C)C[C@H]2CCOC2)C1 ZINC000261696310 624815792 /nfs/dbraw/zinc/81/57/92/624815792.db2.gz SKXPJJIKNLUOPT-ZIAGYGMSSA-N 2 0 282.432 0.872 20 30 CCEDRP C[C@H](CNC(=[NH2+])NCC1CCC1)N1CC[NH+](C)CC1 ZINC000104182701 630848174 /nfs/dbraw/zinc/84/81/74/630848174.db2.gz WQBYMZIFZPFVNP-GFCCVEGCSA-N 2 0 267.421 0.327 20 30 CCEDRP CC[NH+]=C(NCCO)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261743881 631566975 /nfs/dbraw/zinc/56/69/75/631566975.db2.gz KYRSHWXIZLXJAE-ZYHUDNBSSA-N 2 0 254.378 0.017 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCCC1 ZINC000262007368 631751733 /nfs/dbraw/zinc/75/17/33/631751733.db2.gz SACYPCSHRNXVQW-LBPRGKRZSA-N 2 0 268.405 0.680 20 30 CCEDRP COCC[N@H+](C)CCCNC(=[NH2+])NCCC(C)C ZINC000303905978 631842155 /nfs/dbraw/zinc/84/21/55/631842155.db2.gz VTDXZJQIQTUKKB-UHFFFAOYSA-N 2 0 258.410 0.905 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303382524 632485167 /nfs/dbraw/zinc/48/51/67/632485167.db2.gz SMYQWFWPLRURLQ-GFCCVEGCSA-N 2 0 253.394 0.103 20 30 CCEDRP CC#CCN1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007352467 650075208 /nfs/dbraw/zinc/07/52/08/650075208.db2.gz ZBGQXCVXTDZOFM-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301200 638814903 /nfs/dbraw/zinc/81/49/03/638814903.db2.gz RVSQZZDBJPCCTR-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001001278967 639273719 /nfs/dbraw/zinc/27/37/19/639273719.db2.gz OJWABDRFNZRDIF-HNNXBMFYSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001375047 639290981 /nfs/dbraw/zinc/29/09/81/639290981.db2.gz ZEKVOIPVNKPQAR-UHFFFAOYSA-N 2 0 287.407 0.854 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002475407 639418978 /nfs/dbraw/zinc/41/89/78/639418978.db2.gz NEFTUVBWLKIMHC-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831599 639466481 /nfs/dbraw/zinc/46/64/81/639466481.db2.gz HYIWRZUFBYHQCF-OAHLLOKOSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006002510 640062625 /nfs/dbraw/zinc/06/26/25/640062625.db2.gz XWQGQZGVKDNAJR-UKRRQHHQSA-N 2 0 277.412 0.740 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000923410540 640127864 /nfs/dbraw/zinc/12/78/64/640127864.db2.gz HNYMKBIIHJNNCE-BPLDGKMQSA-N 2 0 289.379 0.825 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535271 641333258 /nfs/dbraw/zinc/33/32/58/641333258.db2.gz ZOOWEZMEJIJPGN-CQSZACIVSA-N 2 0 274.368 0.825 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003687 650673524 /nfs/dbraw/zinc/67/35/24/650673524.db2.gz MWCQKECAZJTSGP-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016251530 650706010 /nfs/dbraw/zinc/70/60/10/650706010.db2.gz VPXQOMOGPZVPFY-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000834485637 642577922 /nfs/dbraw/zinc/57/79/22/642577922.db2.gz ZQJACAQLYNVGSS-CORIIIEPSA-N 2 0 297.362 0.265 20 30 CCEDRP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CCCCC1 ZINC000852791177 644000021 /nfs/dbraw/zinc/00/00/21/644000021.db2.gz YHVULNGNSLHHPS-UHFFFAOYSA-N 2 0 263.385 0.767 20 30 CCEDRP [NH3+]CCc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852794245 644000764 /nfs/dbraw/zinc/00/07/64/644000764.db2.gz NVZKOAMYMUFVKJ-UHFFFAOYSA-N 2 0 285.391 0.807 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000852870979 644034352 /nfs/dbraw/zinc/03/43/52/644034352.db2.gz SOWYIRUHDBQULW-INIZCTEOSA-N 2 0 289.423 0.934 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000852880937 644039493 /nfs/dbraw/zinc/03/94/93/644039493.db2.gz GMKBBBUTQRYIBF-CYBMUJFWSA-N 2 0 261.369 0.248 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001018865000 650917027 /nfs/dbraw/zinc/91/70/27/650917027.db2.gz CUZHZSTUIVNGRS-FRRDWIJNSA-N 2 0 251.374 0.703 20 30 CCEDRP C[C@](C[NH3+])(NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000867967080 645690929 /nfs/dbraw/zinc/69/09/29/645690929.db2.gz YZGCIRCAUXXEJL-NVXWUHKLSA-N 2 0 298.390 0.989 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[NH2+]C1 ZINC000867966717 645692032 /nfs/dbraw/zinc/69/20/32/645692032.db2.gz SZXVDJGLPJUDBM-JSGCOSHPSA-N 2 0 270.336 0.223 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178648 651046310 /nfs/dbraw/zinc/04/63/10/651046310.db2.gz AMVCMXUCLYYNIJ-XUXIUFHCSA-N 2 0 279.384 0.272 20 30 CCEDRP C[C@H](C[NH3+])CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876786502 646663862 /nfs/dbraw/zinc/66/38/62/646663862.db2.gz IJUSNORYFCHITI-YGRLFVJLSA-N 2 0 272.352 0.456 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792132 646664781 /nfs/dbraw/zinc/66/47/81/646664781.db2.gz SCWPRSRBHPUMAF-LSDHHAIUSA-N 2 0 284.363 0.599 20 30 CCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876935358 646701179 /nfs/dbraw/zinc/70/11/79/646701179.db2.gz RTYPBGWGBCYUDR-RWSFTLGLSA-N 2 0 286.379 0.987 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877275463 646776924 /nfs/dbraw/zinc/77/69/24/646776924.db2.gz SUQNBLFXTXHYBF-RWMBFGLXSA-N 2 0 264.373 0.751 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386162 646807391 /nfs/dbraw/zinc/80/73/91/646807391.db2.gz GPIHPEBXGMODJP-HIFRSBDPSA-N 2 0 261.369 0.390 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884254060 647684795 /nfs/dbraw/zinc/68/47/95/647684795.db2.gz CWIOTDXHYVSBIC-BOEZANNTSA-N 2 0 276.384 0.240 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884254061 647685278 /nfs/dbraw/zinc/68/52/78/647685278.db2.gz CWIOTDXHYVSBIC-FOVPLOTGSA-N 2 0 276.384 0.240 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)COC ZINC000245930143 649659851 /nfs/dbraw/zinc/65/98/51/649659851.db2.gz YPVFGJZDXZWYAX-NWDGAFQWSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000303369488 649817344 /nfs/dbraw/zinc/81/73/44/649817344.db2.gz JQGXLXFSYREVGB-UONOGXRCSA-N 2 0 283.464 0.963 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303379871 649817565 /nfs/dbraw/zinc/81/75/65/649817565.db2.gz QMJFWPDCSIMOGG-QWHCGFSZSA-N 2 0 269.437 0.573 20 30 CCEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000303769895 649824534 /nfs/dbraw/zinc/82/45/34/649824534.db2.gz BIMLKENEOVIBKX-UHFFFAOYSA-N 2 0 256.394 0.803 20 30 CCEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCSCC1 ZINC000303868835 649825971 /nfs/dbraw/zinc/82/59/71/649825971.db2.gz ALQCYNGBHDWVTH-UHFFFAOYSA-N 2 0 274.434 0.318 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303881140 649826346 /nfs/dbraw/zinc/82/63/46/649826346.db2.gz HLRWCZFEUPHFKI-VXGBXAGGSA-N 2 0 256.394 0.800 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303894651 649826440 /nfs/dbraw/zinc/82/64/40/649826440.db2.gz SQLYEYLMEUMRDA-ZDUSSCGKSA-N 2 0 268.405 0.754 20 30 CCEDRP CCOCCCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304723743 649837562 /nfs/dbraw/zinc/83/75/62/649837562.db2.gz PJDKJNXORZXIOA-UHFFFAOYSA-N 2 0 299.463 0.343 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC=C ZINC001266284898 790405397 /nfs/dbraw/zinc/40/53/97/790405397.db2.gz LQDGQYMGBJTLQR-AWEZNQCLSA-N 2 0 263.385 0.708 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195918 790625878 /nfs/dbraw/zinc/62/58/78/790625878.db2.gz WFTXQXVWYNMESE-SOUVJXGZSA-N 2 0 295.427 0.814 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266427795 790682311 /nfs/dbraw/zinc/68/23/11/790682311.db2.gz AYYOJEDUGBHBFV-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001266533674 790886792 /nfs/dbraw/zinc/88/67/92/790886792.db2.gz ODDNTLAEVCAFNW-GJZGRUSLSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCC[NH+](C)C ZINC001277684454 805959609 /nfs/dbraw/zinc/95/96/09/805959609.db2.gz JUDZCSYPNUKSHN-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001266716716 791176401 /nfs/dbraw/zinc/17/64/01/791176401.db2.gz NWFOHEBAJFWHOK-UTUOFQBUSA-N 2 0 260.341 0.458 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001266915361 791341893 /nfs/dbraw/zinc/34/18/93/791341893.db2.gz GIQSPSWSTSMHHM-RUXDESIVSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001267056691 791486511 /nfs/dbraw/zinc/48/65/11/791486511.db2.gz SNWAUOOEWKVKMF-ZNMIVQPWSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267121546 791564274 /nfs/dbraw/zinc/56/42/74/791564274.db2.gz CAZWUGAUMRDEPN-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246021637 807119774 /nfs/dbraw/zinc/11/97/74/807119774.db2.gz LCAYFVNSDDFGQY-BFHYXJOUSA-N 2 0 256.390 0.857 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246020417 807120825 /nfs/dbraw/zinc/12/08/25/807120825.db2.gz LBCKIMOGVSLWBG-QWHCGFSZSA-N 2 0 258.337 0.150 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277819050 806147119 /nfs/dbraw/zinc/14/71/19/806147119.db2.gz HGMJOCCCHSTUFO-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC=C)CC1 ZINC001278025858 806618666 /nfs/dbraw/zinc/61/86/66/806618666.db2.gz RQLHDKJRLLRHAJ-AWEZNQCLSA-N 2 0 277.412 0.954 20 30 CCEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696344 799065061 /nfs/dbraw/zinc/06/50/61/799065061.db2.gz ONQQOKDUFDXKTE-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001122133341 799151629 /nfs/dbraw/zinc/15/16/29/799151629.db2.gz ASEQGKZHFPOTFO-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]([NH3+])C1)C2 ZINC001122159970 799157545 /nfs/dbraw/zinc/15/75/45/799157545.db2.gz DDCFCXOXIVDPNG-ATJQQHLPSA-N 2 0 262.357 0.075 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150625084 800353245 /nfs/dbraw/zinc/35/32/45/800353245.db2.gz ITLWYRAZGFUZDW-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340769 800511090 /nfs/dbraw/zinc/51/10/90/800511090.db2.gz XYVQTDLSEBCOIY-UHFFFAOYSA-N 2 0 283.416 0.771 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCC)CC1 ZINC001152330236 800511093 /nfs/dbraw/zinc/51/10/93/800511093.db2.gz JTRSDCOSLPYJMO-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156882731 801253445 /nfs/dbraw/zinc/25/34/45/801253445.db2.gz KTUALQDWJRBBEQ-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158029748 801556218 /nfs/dbraw/zinc/55/62/18/801556218.db2.gz KXBCWIONYNLHCO-KGLIPLIRSA-N 2 0 263.385 0.590 20 30 CCEDRP CC[C@@]([NH3+])(CO)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159739459 801855984 /nfs/dbraw/zinc/85/59/84/801855984.db2.gz HYGPWDZUIWOIAK-AWEZNQCLSA-N 2 0 275.356 0.458 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159933003 801892823 /nfs/dbraw/zinc/89/28/23/801892823.db2.gz XQDNHIUZEDPVJU-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412156 802147820 /nfs/dbraw/zinc/14/78/20/802147820.db2.gz GXEPMPVSJAXHCY-JONQDZQNSA-N 2 0 298.390 0.624 20 30 CCEDRP N#Cc1cc([N+](=O)[O-])cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162290314 802301594 /nfs/dbraw/zinc/30/15/94/802301594.db2.gz NVHKCWAXLQSBSC-UHFFFAOYSA-N 2 0 292.343 0.992 20 30 CCEDRP Cc1nc(C#N)cc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162294793 802303469 /nfs/dbraw/zinc/30/34/69/802303469.db2.gz XZPKWMJWXMZSBA-UHFFFAOYSA-N 2 0 262.361 0.787 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536741 802758657 /nfs/dbraw/zinc/75/86/57/802758657.db2.gz YOIVHNOFWXUCGX-AWEZNQCLSA-N 2 0 283.416 0.768 20 30 CCEDRP C[NH+]1C[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]2C1 ZINC001165144350 802787882 /nfs/dbraw/zinc/78/78/82/802787882.db2.gz HXMKTKHVMLFSGN-ZIAGYGMSSA-N 2 0 297.406 0.987 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165252895 802805604 /nfs/dbraw/zinc/80/56/04/802805604.db2.gz BVKGXZPOVPDHPG-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC)CCC[NH+](CC)CC ZINC000230712314 811804713 /nfs/dbraw/zinc/80/47/13/811804713.db2.gz YPQMQJORFSGHEL-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851831 802970326 /nfs/dbraw/zinc/97/03/26/802970326.db2.gz HXUIKMALUZISME-STQMWFEESA-N 2 0 298.431 0.113 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203641696 803040125 /nfs/dbraw/zinc/04/01/25/803040125.db2.gz UJAPCALBCFSQMZ-KBPBESRZSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203698882 803041786 /nfs/dbraw/zinc/04/17/86/803041786.db2.gz CRPHMFYEJZQSDG-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001204793641 803101643 /nfs/dbraw/zinc/10/16/43/803101643.db2.gz KNAPCDVERCHPMQ-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001205302930 803134077 /nfs/dbraw/zinc/13/40/77/803134077.db2.gz XZZAWVDUDVHZNW-INIZCTEOSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001028757604 813445276 /nfs/dbraw/zinc/44/52/76/813445276.db2.gz GPMPNGZAZPYNEO-LSDHHAIUSA-N 2 0 293.411 0.167 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206139219 803210407 /nfs/dbraw/zinc/21/04/07/803210407.db2.gz ZLUPRFXMUDRTFX-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001206132782 803210632 /nfs/dbraw/zinc/21/06/32/803210632.db2.gz SWPSFDALPQMOFR-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206274272 803221752 /nfs/dbraw/zinc/22/17/52/803221752.db2.gz GONPSYHGAGQEGT-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585873 803269805 /nfs/dbraw/zinc/26/98/05/803269805.db2.gz GLHZZMDMOICBOQ-KFWWJZLASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210674562 803657195 /nfs/dbraw/zinc/65/71/95/803657195.db2.gz ZEBSEGBNMSCPOF-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423379 803807873 /nfs/dbraw/zinc/80/78/73/803807873.db2.gz JKVRKLZLZZSBOV-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001216511180 803841715 /nfs/dbraw/zinc/84/17/15/803841715.db2.gz LLQUJFAAQBNKJE-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCCN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054517 804187027 /nfs/dbraw/zinc/18/70/27/804187027.db2.gz FEDVQLTTYCWVRV-LSDHHAIUSA-N 2 0 293.411 0.262 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455546 815012840 /nfs/dbraw/zinc/01/28/40/815012840.db2.gz IDWUCSSOZSERTG-ILXRZTDVSA-N 2 0 295.427 0.597 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)NC2=C(C(=O)OCC)C[NH2+]CC2)C1 ZINC001220524034 804620865 /nfs/dbraw/zinc/62/08/65/804620865.db2.gz XJBCJEUVADSPPA-HNNXBMFYSA-N 2 0 293.367 0.221 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221292281 804768407 /nfs/dbraw/zinc/76/84/07/804768407.db2.gz IVUJIFKYWYTWPZ-JQWIXIFHSA-N 2 0 272.418 0.450 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411842 804812004 /nfs/dbraw/zinc/81/20/04/804812004.db2.gz YANIZVZWNCUEDR-ZFWWWQNUSA-N 2 0 263.385 0.799 20 30 CCEDRP C#CCCC1(CCNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)N=N1 ZINC001221411613 804812321 /nfs/dbraw/zinc/81/23/21/804812321.db2.gz ZMEZWNDVTARMRJ-TZMCWYRMSA-N 2 0 289.383 0.267 20 30 CCEDRP C#CCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346453 805028220 /nfs/dbraw/zinc/02/82/20/805028220.db2.gz IFSBCFUUHAKVKD-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001277000885 805082585 /nfs/dbraw/zinc/08/25/85/805082585.db2.gz DVUVYANGRUFEBI-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001225320736 805121490 /nfs/dbraw/zinc/12/14/90/805121490.db2.gz KMJGPVQTBZGSTB-CYBMUJFWSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC001228647260 805462786 /nfs/dbraw/zinc/46/27/86/805462786.db2.gz QERRKMXMJPAPHA-MCIONIFRSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278396705 807065599 /nfs/dbraw/zinc/06/55/99/807065599.db2.gz BXJJMPINWFPDCB-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278415869 807097866 /nfs/dbraw/zinc/09/78/66/807097866.db2.gz JVZJETNGGPNMSQ-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246017405 807117855 /nfs/dbraw/zinc/11/78/55/807117855.db2.gz BCUJICNXBXQORF-OLZOCXBDSA-N 2 0 269.389 0.243 20 30 CCEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246330778 807223508 /nfs/dbraw/zinc/22/35/08/807223508.db2.gz UVMLJCYEXOZIKS-CQSZACIVSA-N 2 0 286.379 0.621 20 30 CCEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246579361 807299836 /nfs/dbraw/zinc/29/98/36/807299836.db2.gz ISBXIBRVYKYZHW-TUKIKUTGSA-N 2 0 259.353 0.741 20 30 CCEDRP CC1(C#N)CCC([NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001246819767 807395409 /nfs/dbraw/zinc/39/54/09/807395409.db2.gz IJRVAYZUDPZSIX-UHFFFAOYSA-N 2 0 293.459 0.543 20 30 CCEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246834191 807400012 /nfs/dbraw/zinc/40/00/12/807400012.db2.gz NFWYTSKLWHYTOV-YIYPIFLZSA-N 2 0 260.385 0.847 20 30 CCEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038117684 815154484 /nfs/dbraw/zinc/15/44/84/815154484.db2.gz PPSSPRGIPHNFQP-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C=C[C@@](C)(O)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001252560610 807910807 /nfs/dbraw/zinc/91/08/07/807910807.db2.gz UVXJSSLKYIVSLJ-OAHLLOKOSA-N 2 0 267.417 0.637 20 30 CCEDRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])c1ccc(C#N)cc1 ZINC001253205481 808030453 /nfs/dbraw/zinc/03/04/53/808030453.db2.gz DBWSIZBPHSGANI-CQSZACIVSA-N 2 0 274.368 0.966 20 30 CCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001278786442 808244848 /nfs/dbraw/zinc/24/48/48/808244848.db2.gz CQPZKYUFWAIWRQ-HOCLYGCPSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CCOCCOCC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254508472 808248136 /nfs/dbraw/zinc/24/81/36/808248136.db2.gz JHBHAQSQZLWFPY-AWEZNQCLSA-N 2 0 254.374 0.727 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278806269 808275376 /nfs/dbraw/zinc/27/53/76/808275376.db2.gz XVDKLHKBSHFKKO-DZGCQCFKSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278804559 808276183 /nfs/dbraw/zinc/27/61/83/808276183.db2.gz CKFAUSUBVSQPBW-JSGCOSHPSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278869667 808394831 /nfs/dbraw/zinc/39/48/31/808394831.db2.gz WHMJMJVXSDXZID-CQSZACIVSA-N 2 0 297.443 0.798 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]CCC12CCC2 ZINC001262042371 809169570 /nfs/dbraw/zinc/16/95/70/809169570.db2.gz KEGFWVIMAKTRFA-UHFFFAOYSA-N 2 0 275.396 0.734 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001263095260 809440550 /nfs/dbraw/zinc/44/05/50/809440550.db2.gz IESFOTJJLIBUDJ-OKILXGFUSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[N@H+](CC)CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001265147720 809715684 /nfs/dbraw/zinc/71/56/84/809715684.db2.gz HYPNGJPKVDDDMD-UHFFFAOYSA-N 2 0 289.423 0.793 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001265456009 809782814 /nfs/dbraw/zinc/78/28/14/809782814.db2.gz CHZFSFDQRNYXCO-HOCLYGCPSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC=C)CC1 ZINC001265870558 809881244 /nfs/dbraw/zinc/88/12/44/809881244.db2.gz RTEBQCQFQVNYKP-ZDUSSCGKSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265906979 809890369 /nfs/dbraw/zinc/89/03/69/809890369.db2.gz WJDBBRQJFYKWMD-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+](CC)CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001266109322 809937420 /nfs/dbraw/zinc/93/74/20/809937420.db2.gz TXXBBGOZQCVEEZ-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001266134344 809944806 /nfs/dbraw/zinc/94/48/06/809944806.db2.gz WEDXONJGXJTSFQ-KBPBESRZSA-N 2 0 283.416 0.768 20 30 CCEDRP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001279408957 809977482 /nfs/dbraw/zinc/97/74/82/809977482.db2.gz OJTSNRGVSRPLTA-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835689 815360043 /nfs/dbraw/zinc/36/00/43/815360043.db2.gz JBCXMLIJJIFWQS-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001267317532 811148939 /nfs/dbraw/zinc/14/89/39/811148939.db2.gz CMEPQJICLBXSGM-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267619036 811576977 /nfs/dbraw/zinc/57/69/77/811576977.db2.gz YCWCUPQCSNJBGT-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268014621 811952872 /nfs/dbraw/zinc/95/28/72/811952872.db2.gz VMVMIRDKAJBJLI-GJZGRUSLSA-N 2 0 297.443 0.873 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268054920 812146899 /nfs/dbraw/zinc/14/68/99/812146899.db2.gz MUXUCCJGIRTWBG-KBPBESRZSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027982407 812193037 /nfs/dbraw/zinc/19/30/37/812193037.db2.gz VQMWNKBIGLYSIC-KGLIPLIRSA-N 2 0 286.379 0.659 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268101317 812260068 /nfs/dbraw/zinc/26/00/68/812260068.db2.gz WMIQYRJBFHWMOH-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP COc1cc(C#N)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167877475 812374698 /nfs/dbraw/zinc/37/46/98/812374698.db2.gz DLWYRTADLWRIMW-UHFFFAOYSA-N 2 0 262.317 0.637 20 30 CCEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028316627 812614696 /nfs/dbraw/zinc/61/46/96/812614696.db2.gz SCDVGZWMPMOTLP-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001268756376 813069518 /nfs/dbraw/zinc/06/95/18/813069518.db2.gz JMYXHZNNHYXIFX-UONOGXRCSA-N 2 0 281.400 0.024 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001269343443 813333037 /nfs/dbraw/zinc/33/30/37/813333037.db2.gz LPWANLFXMGOLKF-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001269544576 813410162 /nfs/dbraw/zinc/41/01/62/813410162.db2.gz KTUXZVWBQSQKEE-AWEZNQCLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)CCc2cncn2C)C1 ZINC001270650210 813871548 /nfs/dbraw/zinc/87/15/48/813871548.db2.gz ROWDFFXWGFFCSD-HNNXBMFYSA-N 2 0 274.368 0.567 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271860146 814614060 /nfs/dbraw/zinc/61/40/60/814614060.db2.gz GKBLWSPWPBPRAW-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C)CN1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030345176 815986173 /nfs/dbraw/zinc/98/61/73/815986173.db2.gz ADRFXTIFKKAEKJ-KBPBESRZSA-N 2 0 279.384 0.226 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046319709 816500771 /nfs/dbraw/zinc/50/07/71/816500771.db2.gz VLSCPSDLPGCSED-WBVHZDCISA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001272568533 816589721 /nfs/dbraw/zinc/58/97/21/816589721.db2.gz XWDQXLLBDMLICZ-OLZOCXBDSA-N 2 0 271.405 0.215 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840645 816946825 /nfs/dbraw/zinc/94/68/25/816946825.db2.gz YNDMOMFJHMIQJA-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878264 816972125 /nfs/dbraw/zinc/97/21/25/816972125.db2.gz JQZKPMVQLOSPTL-ZIAGYGMSSA-N 2 0 283.416 0.435 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563344 817277599 /nfs/dbraw/zinc/27/75/99/817277599.db2.gz WVSDUUSBNNJMLI-UHFFFAOYSA-N 2 0 279.388 0.340 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132342 817658763 /nfs/dbraw/zinc/65/87/63/817658763.db2.gz UKAFFQNUTXKDEC-UHFFFAOYSA-N 2 0 274.368 0.995 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786366 817870272 /nfs/dbraw/zinc/87/02/72/817870272.db2.gz YXCSXGMJKRWSOQ-KGLIPLIRSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675104 817980996 /nfs/dbraw/zinc/98/09/96/817980996.db2.gz ASTNQQFDRYXHRQ-MGPQQGTHSA-N 2 0 281.400 0.208 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001273010752 818357808 /nfs/dbraw/zinc/35/78/08/818357808.db2.gz TWJOTCQEZRCGNF-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032960619 818389313 /nfs/dbraw/zinc/38/93/13/818389313.db2.gz XVWLAKPNTLJJCH-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832730 818527043 /nfs/dbraw/zinc/52/70/43/818527043.db2.gz SKOVSMZFLGALKY-KFWWJZLASA-N 2 0 295.427 0.597 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128545011 818620958 /nfs/dbraw/zinc/62/09/58/818620958.db2.gz RZBJPEAGMLONCA-LBPRGKRZSA-N 2 0 259.369 0.948 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128553647 818632329 /nfs/dbraw/zinc/63/23/29/818632329.db2.gz XSSBHZGKORXUDR-UHFFFAOYSA-N 2 0 265.382 0.762 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738456 819318298 /nfs/dbraw/zinc/31/82/98/819318298.db2.gz SYUPYJATWKXKGJ-AJNGGQMLSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035794212 819626235 /nfs/dbraw/zinc/62/62/35/819626235.db2.gz ANCCXZIBWMYFNM-HUUCEWRRSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035851682 819633009 /nfs/dbraw/zinc/63/30/09/819633009.db2.gz ITTQXVHGYOYHNM-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001036160676 819700663 /nfs/dbraw/zinc/70/06/63/819700663.db2.gz LZHKMIPBTRJMNG-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001273186391 820097168 /nfs/dbraw/zinc/09/71/68/820097168.db2.gz MHKRAIHLWPRJPB-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001082663135 821014001 /nfs/dbraw/zinc/01/40/01/821014001.db2.gz AHPRNTUIBHNNPJ-BMFZPTHFSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961283 821174238 /nfs/dbraw/zinc/17/42/38/821174238.db2.gz LAWANNRDGRAUJW-OCCSQVGLSA-N 2 0 290.367 0.109 20 30 CCEDRP CC#CCN1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084663089 821344808 /nfs/dbraw/zinc/34/48/08/821344808.db2.gz LSEYAPMXBDWWKI-ARFHVFGLSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871602 821467951 /nfs/dbraw/zinc/46/79/51/821467951.db2.gz HUKRFSYPIDJISZ-QWHCGFSZSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988307 821870867 /nfs/dbraw/zinc/87/08/67/821870867.db2.gz GOYTXTOOFLYXAR-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710733 837899453 /nfs/dbraw/zinc/89/94/53/837899453.db2.gz CBYVYYRSDAZCHQ-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183399490 844012886 /nfs/dbraw/zinc/01/28/86/844012886.db2.gz XWJMLHUDRJNLMP-IIAWOOMASA-N 2 0 277.412 0.646 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132277409 838352251 /nfs/dbraw/zinc/35/22/51/838352251.db2.gz GWGCPNCBPWRAHP-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409745 838389753 /nfs/dbraw/zinc/38/97/53/838389753.db2.gz DNZREUDXLDAAFA-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245780 838582734 /nfs/dbraw/zinc/58/27/34/838582734.db2.gz KTSSEMMVNFZVAW-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133863790 838754522 /nfs/dbraw/zinc/75/45/22/838754522.db2.gz POOPYEZOCNWNED-CHWSQXEVSA-N 2 0 253.390 0.856 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134766059 839066535 /nfs/dbraw/zinc/06/65/35/839066535.db2.gz CSXPMSVWMWOXCZ-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1C ZINC001185379114 844405325 /nfs/dbraw/zinc/40/53/25/844405325.db2.gz AEEQYGNHKMVCBQ-STQMWFEESA-N 2 0 274.368 0.660 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297370 839200537 /nfs/dbraw/zinc/20/05/37/839200537.db2.gz ALLKZVWPCAAXQA-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185492773 844424310 /nfs/dbraw/zinc/42/43/10/844424310.db2.gz RKMWARBBAYEILE-CABCVRRESA-N 2 0 297.443 0.825 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135975696 839488737 /nfs/dbraw/zinc/48/87/37/839488737.db2.gz ASYSGAFYZSALGG-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246023864 839584779 /nfs/dbraw/zinc/58/47/79/839584779.db2.gz SKGAVPYRCOBZSN-ZIAGYGMSSA-N 2 0 254.374 0.448 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)[C@@H](O)C1 ZINC001090763419 839785322 /nfs/dbraw/zinc/78/53/22/839785322.db2.gz HYXLMIPSEWAVFT-OCCSQVGLSA-N 2 0 292.383 0.388 20 30 CCEDRP C=C(C(=O)N(CCCC[NH3+])C(N)=[NH2+])C(F)(F)F ZINC001144213395 839976689 /nfs/dbraw/zinc/97/66/89/839976689.db2.gz NKZHPLZMYFXOGL-UHFFFAOYSA-N 2 0 252.240 0.566 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171227347 840150815 /nfs/dbraw/zinc/15/08/15/840150815.db2.gz OEPJHFWPMHIALP-AWEZNQCLSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147347532 840562132 /nfs/dbraw/zinc/56/21/32/840562132.db2.gz BIDMLUMOBDMZSP-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834463 840695069 /nfs/dbraw/zinc/69/50/69/840695069.db2.gz JJLJNCAFTMYNEN-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCOCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215676 840764422 /nfs/dbraw/zinc/76/44/22/840764422.db2.gz FWHHQCHPLURPEG-UHFFFAOYSA-N 2 0 295.427 0.675 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC001273450345 840929362 /nfs/dbraw/zinc/92/93/62/840929362.db2.gz RQFLLQMURCHGCD-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504474 841030130 /nfs/dbraw/zinc/03/01/30/841030130.db2.gz PIACVPHHERCFNJ-MCIONIFRSA-N 2 0 263.385 0.398 20 30 CCEDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302709 841915676 /nfs/dbraw/zinc/91/56/76/841915676.db2.gz PGGZNBDTKUTKGV-BXUZGUMPSA-N 2 0 275.352 0.827 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)COC)CC1 ZINC001176926512 842452694 /nfs/dbraw/zinc/45/26/94/842452694.db2.gz OCJOKSCRBWBHDN-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC)CC1 ZINC001176926155 842452946 /nfs/dbraw/zinc/45/29/46/842452946.db2.gz HQCWJGNDDILJIL-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929891 843083483 /nfs/dbraw/zinc/08/34/83/843083483.db2.gz ZUXPKDJJQDFJCF-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001181008848 843372541 /nfs/dbraw/zinc/37/25/41/843372541.db2.gz LTTDTSKSQJAIMA-IIAWOOMASA-N 2 0 293.411 0.024 20 30 CCEDRP COc1ccc(C#CC(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001182048444 843698112 /nfs/dbraw/zinc/69/81/12/843698112.db2.gz MEKFKEKTRAZKGQ-UHFFFAOYSA-N 2 0 288.351 0.508 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCOC)C2)CC1 ZINC001188091876 844829915 /nfs/dbraw/zinc/82/99/15/844829915.db2.gz PQUCGJDQLTVRMX-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810743 845215570 /nfs/dbraw/zinc/21/55/70/845215570.db2.gz FIWAOOGHZOEXFU-LSDHHAIUSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221907 845357471 /nfs/dbraw/zinc/35/74/71/845357471.db2.gz SOHNZKJFRAPTRY-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370902 845399811 /nfs/dbraw/zinc/39/98/11/845399811.db2.gz LEHWXFBVURTWNP-LSDHHAIUSA-N 2 0 277.412 0.883 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048399 846833634 /nfs/dbraw/zinc/83/36/34/846833634.db2.gz ATVBESYYECKTDK-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122705 847554677 /nfs/dbraw/zinc/55/46/77/847554677.db2.gz HXGGUJRAQQRMCC-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807040 847694188 /nfs/dbraw/zinc/69/41/88/847694188.db2.gz UVFWRZGHZWRGGM-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276426 847758491 /nfs/dbraw/zinc/75/84/91/847758491.db2.gz HXRRNXWTBXIEDT-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP N#Cc1ccc(CCC[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946553 847894875 /nfs/dbraw/zinc/89/48/75/847894875.db2.gz NHKBNNPNRUGOQT-HUUCEWRRSA-N 2 0 259.353 0.885 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504178 848002745 /nfs/dbraw/zinc/00/27/45/848002745.db2.gz RAQYWLGSULBSFM-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001274250696 848431213 /nfs/dbraw/zinc/43/12/13/848431213.db2.gz JKVRKLZLZZSBOV-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001274752595 848561210 /nfs/dbraw/zinc/56/12/10/848561210.db2.gz DPTRSONGJPURSM-ZIAGYGMSSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001037976902 849615601 /nfs/dbraw/zinc/61/56/01/849615601.db2.gz FGGNQRNGGKIWBA-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001038269782 849833627 /nfs/dbraw/zinc/83/36/27/849833627.db2.gz QJIKLJHFAMAZNO-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040529912 850297977 /nfs/dbraw/zinc/29/79/77/850297977.db2.gz SJUOKULVTWFZDY-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785599 850502816 /nfs/dbraw/zinc/50/28/16/850502816.db2.gz JBDYNEWUFWKMIB-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046198249 851417270 /nfs/dbraw/zinc/41/72/70/851417270.db2.gz UCXOEQHOFBCRMW-UKRRQHHQSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059193 852149001 /nfs/dbraw/zinc/14/90/01/852149001.db2.gz CLVOAUPTCSXQAI-WCVJEAGWSA-N 2 0 289.423 0.598 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059757 852152089 /nfs/dbraw/zinc/15/20/89/852152089.db2.gz FWQDFHWGICPXQV-BYNSBNAKSA-N 2 0 277.412 0.760 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060172 852152503 /nfs/dbraw/zinc/15/25/03/852152503.db2.gz OIEICIBRMPTIJG-CAOSSQGBSA-N 2 0 289.423 0.598 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049060173 852153426 /nfs/dbraw/zinc/15/34/26/852153426.db2.gz OIEICIBRMPTIJG-JONQDZQNSA-N 2 0 289.423 0.598 20 30 CCEDRP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049215070 852195101 /nfs/dbraw/zinc/19/51/01/852195101.db2.gz HZJXJNBGOYIXCK-SOUVJXGZSA-N 2 0 277.412 0.904 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001052934116 852673760 /nfs/dbraw/zinc/67/37/60/852673760.db2.gz IBWNAGVJSLYUKM-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050460304 853379554 /nfs/dbraw/zinc/37/95/54/853379554.db2.gz UVAJBDWRVVZSLN-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050662522 853409835 /nfs/dbraw/zinc/40/98/35/853409835.db2.gz JKLZMKYPFDPDGH-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981225 854506199 /nfs/dbraw/zinc/50/61/99/854506199.db2.gz AYJYLYBCLPIIIM-HUUCEWRRSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072983289 854509383 /nfs/dbraw/zinc/50/93/83/854509383.db2.gz QOFHQSIYKBLARI-ZIAGYGMSSA-N 2 0 277.412 0.904 20 30 CCEDRP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073553871 854592116 /nfs/dbraw/zinc/59/21/16/854592116.db2.gz AXBLZVBKOXZOAE-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899991 855023811 /nfs/dbraw/zinc/02/38/11/855023811.db2.gz ZOEYTBQCBJZBOP-UONOGXRCSA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971568 855055856 /nfs/dbraw/zinc/05/58/56/855055856.db2.gz JWQONOCUDBQXBD-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986482 855060607 /nfs/dbraw/zinc/06/06/07/855060607.db2.gz LLFZINHRPZNNCE-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083243 855096961 /nfs/dbraw/zinc/09/69/61/855096961.db2.gz PAWFERNQUGOIKD-LSDHHAIUSA-N 2 0 295.427 0.293 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619775 855198254 /nfs/dbraw/zinc/19/82/54/855198254.db2.gz HXKHELCQCSAVOX-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870933 855232830 /nfs/dbraw/zinc/23/28/30/855232830.db2.gz SQSANJGDEFXAJQ-UHFFFAOYSA-N 2 0 281.400 0.072 20 30 CCEDRP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320675 855427792 /nfs/dbraw/zinc/42/77/92/855427792.db2.gz NSKTYWFFJPQLBC-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115146344 855645579 /nfs/dbraw/zinc/64/55/79/855645579.db2.gz ZCCNNVAVMVCILI-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001118201773 856199793 /nfs/dbraw/zinc/19/97/93/856199793.db2.gz SHOVZIKHSYWIRK-IUCAKERBSA-N 2 0 293.396 0.919 20 30 CCEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CC#CCOC)CC[N@@H+]1C ZINC001480866118 891432746 /nfs/dbraw/zinc/43/27/46/891432746.db2.gz UBRZJWIDERPBLD-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283759391 892364263 /nfs/dbraw/zinc/36/42/63/892364263.db2.gz GXSQONVANXHSIQ-HZSPNIEDSA-N 2 0 283.416 0.360 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481461988 892699178 /nfs/dbraw/zinc/69/91/78/892699178.db2.gz MULAMQZFRCVTCF-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001481816073 893182640 /nfs/dbraw/zinc/18/26/40/893182640.db2.gz JELWVEYGECRPEU-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001482109006 893401826 /nfs/dbraw/zinc/40/18/26/893401826.db2.gz YYOZFXKASNLALL-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001284501807 893585515 /nfs/dbraw/zinc/58/55/15/893585515.db2.gz JFDPGRZLBSVZRQ-KGLIPLIRSA-N 2 0 285.432 0.510 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001482744696 894561025 /nfs/dbraw/zinc/56/10/25/894561025.db2.gz AKFTXFUADPRSFS-UONOGXRCSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001482773824 894592626 /nfs/dbraw/zinc/59/26/26/894592626.db2.gz FUBVGFYDMBHZPL-CABCVRRESA-N 2 0 297.443 0.892 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)CCC[NH+](C)C ZINC001483053935 894855955 /nfs/dbraw/zinc/85/59/55/894855955.db2.gz JOAWIWOKSYAYKU-SREVYHEPSA-N 2 0 251.374 0.614 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001483735274 895944133 /nfs/dbraw/zinc/94/41/33/895944133.db2.gz OQXNXMHTJOJCAM-CYBMUJFWSA-N 2 0 261.369 0.200 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC#CC)CC2)CC1 ZINC001483795655 896056199 /nfs/dbraw/zinc/05/61/99/896056199.db2.gz ZZJWRHAUSGOOPV-UHFFFAOYSA-N 2 0 287.407 0.593 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001483924761 896118537 /nfs/dbraw/zinc/11/85/37/896118537.db2.gz LKMFHNOAXBUANN-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484521434 896459151 /nfs/dbraw/zinc/45/91/51/896459151.db2.gz RLVJDWZDICTKCK-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)C[N@@H+](C)CCC)CCOCC1 ZINC001484871285 896640368 /nfs/dbraw/zinc/64/03/68/896640368.db2.gz WXVVOEDBHSXADG-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001484903399 896661098 /nfs/dbraw/zinc/66/10/98/896661098.db2.gz AISVPOOIFMQDLU-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471179 897062694 /nfs/dbraw/zinc/06/26/94/897062694.db2.gz DLJPJKFOTFBSEB-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485532481 897113226 /nfs/dbraw/zinc/11/32/26/897113226.db2.gz HJNZZDFZSHIDFT-OLZOCXBDSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032732056 898025490 /nfs/dbraw/zinc/02/54/90/898025490.db2.gz VNKQRHSLOHBYLE-ILXRZTDVSA-N 2 0 275.396 0.637 20 30 CCEDRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001485946422 898530216 /nfs/dbraw/zinc/53/02/16/898530216.db2.gz DDZDFYTXGDPTPQ-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001486356630 898817290 /nfs/dbraw/zinc/81/72/90/898817290.db2.gz PFOYQGDZUTVHEL-UONOGXRCSA-N 2 0 283.416 0.265 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001490828516 902037382 /nfs/dbraw/zinc/03/73/82/902037382.db2.gz AZPVJHRZNRROQQ-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP Cc1c(C[NH3+])c(NC(=O)C#CC2CC[NH2+]CC2)nn1C ZINC001327612787 914654224 /nfs/dbraw/zinc/65/42/24/914654224.db2.gz FCAVDRURFSPSBN-UHFFFAOYSA-N 2 0 275.356 0.129 20 30 CCEDRP CC1([NH3+])CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001327663017 914689257 /nfs/dbraw/zinc/68/92/57/914689257.db2.gz ROWBJDALVGCDSC-LLVKDONJSA-N 2 0 252.362 0.737 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001330613524 903898394 /nfs/dbraw/zinc/89/83/94/903898394.db2.gz NSDHLTVSKUKLHJ-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#CCOC ZINC001282215200 904434174 /nfs/dbraw/zinc/43/41/74/904434174.db2.gz QQQGLAYPFYEJKI-KBPBESRZSA-N 2 0 283.416 0.461 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001282493161 904491917 /nfs/dbraw/zinc/49/19/17/904491917.db2.gz AUIUEDWISMSQLZ-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001282718239 904530348 /nfs/dbraw/zinc/53/03/48/904530348.db2.gz XQNRRLQKMHBEOO-ZDUSSCGKSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001283408677 904840027 /nfs/dbraw/zinc/84/00/27/904840027.db2.gz UGVQLJHHHLQZRJ-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001283492175 904873356 /nfs/dbraw/zinc/87/33/56/904873356.db2.gz HHKUTMVMEYHVJD-ZIAGYGMSSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001283786022 905013396 /nfs/dbraw/zinc/01/33/96/905013396.db2.gz WPQFMIGLXHFBKW-CQSZACIVSA-N 2 0 297.443 0.751 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001337016099 921154052 /nfs/dbraw/zinc/15/40/52/921154052.db2.gz LTAJNSUVKRHXMQ-ILXRZTDVSA-N 2 0 290.411 0.430 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001491729334 907539670 /nfs/dbraw/zinc/53/96/70/907539670.db2.gz VLGDUKIYIIOZPF-UONOGXRCSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829841 907596785 /nfs/dbraw/zinc/59/67/85/907596785.db2.gz RZCRGYMINQJEET-ZDUSSCGKSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001491809730 907611506 /nfs/dbraw/zinc/61/15/06/907611506.db2.gz ZJPXRLMLQOMTSQ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317344156 908166065 /nfs/dbraw/zinc/16/60/65/908166065.db2.gz QAUHXGLPNRNNQX-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317536349 908635054 /nfs/dbraw/zinc/63/50/54/908635054.db2.gz YJFZBLKBODZZNY-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001316787852 908774696 /nfs/dbraw/zinc/77/46/96/908774696.db2.gz VVDOEVPOAALXEL-HZSPNIEDSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[N@@H+](CC)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001316907733 908835253 /nfs/dbraw/zinc/83/52/53/908835253.db2.gz QWHADSURVDDFPR-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001316935073 908852624 /nfs/dbraw/zinc/85/26/24/908852624.db2.gz DCTYDSCERSJBPK-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001317414467 909184978 /nfs/dbraw/zinc/18/49/78/909184978.db2.gz UOHQSFMPKYWAPH-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317414138 909185435 /nfs/dbraw/zinc/18/54/35/909185435.db2.gz MDUPSGKWEMJQCI-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001318527857 909804535 /nfs/dbraw/zinc/80/45/35/909804535.db2.gz GCXCZQNYMVLXHQ-LBPRGKRZSA-N 2 0 251.374 0.588 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320216433 910529909 /nfs/dbraw/zinc/52/99/09/910529909.db2.gz KKQYVDIGXSMKNO-KBPBESRZSA-N 2 0 283.416 0.502 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320274629 910570530 /nfs/dbraw/zinc/57/05/30/910570530.db2.gz QMESKYMZWBDHGQ-ZIAGYGMSSA-N 2 0 283.416 0.361 20 30 CCEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001321336950 911241467 /nfs/dbraw/zinc/24/14/67/911241467.db2.gz NYMDWPWLTHAARG-ONEGZZNKSA-N 2 0 263.385 0.920 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001321418919 911293099 /nfs/dbraw/zinc/29/30/99/911293099.db2.gz LZMGUEPLNAXDEX-PSKZRQQASA-N 2 0 263.385 0.756 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001328219340 915033210 /nfs/dbraw/zinc/03/32/10/915033210.db2.gz FLWBAUGUURGCFA-QJPTWQEYSA-N 2 0 252.362 0.593 20 30 CCEDRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1C ZINC001328581064 915286956 /nfs/dbraw/zinc/28/69/56/915286956.db2.gz GIDKGLNQOFYDPF-AGIUHOORSA-N 2 0 266.389 0.949 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001329105644 915673869 /nfs/dbraw/zinc/67/38/69/915673869.db2.gz ASSRESMQSMVHEA-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330976054 917000040 /nfs/dbraw/zinc/00/00/40/917000040.db2.gz DRQQLDJSPPMXBY-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001403085041 917465976 /nfs/dbraw/zinc/46/59/76/917465976.db2.gz NFNLDMGVHVRDCQ-NSHDSACASA-N 2 0 271.792 0.929 20 30 CCEDRP COCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332117594 917872478 /nfs/dbraw/zinc/87/24/78/917872478.db2.gz BPLKTKJUOWHEIQ-ZDUSSCGKSA-N 2 0 282.388 0.235 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC001333748351 919134737 /nfs/dbraw/zinc/13/47/37/919134737.db2.gz CVYIZWSNCFSFLA-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001336785958 921010437 /nfs/dbraw/zinc/01/04/37/921010437.db2.gz WGYRFBGXVSVRMQ-LBPRGKRZSA-N 2 0 267.373 0.087 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[C@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC001340527556 922110525 /nfs/dbraw/zinc/11/05/25/922110525.db2.gz PSQQKRZTFWSXKQ-JSGCOSHPSA-N 2 0 283.441 0.896 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001340810131 922229047 /nfs/dbraw/zinc/22/90/47/922229047.db2.gz VSTOMROLDRRYBW-AWEZNQCLSA-N 2 0 283.416 0.899 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC001341814758 922683478 /nfs/dbraw/zinc/68/34/78/922683478.db2.gz MWSZZYGKXWNWEA-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCC[C@@H]1CCC[NH2+]CC1 ZINC001342886467 923122797 /nfs/dbraw/zinc/12/27/97/923122797.db2.gz IHAKQCNFXKMIGZ-CQSZACIVSA-N 2 0 277.412 0.885 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCc1coc(CN(C)C)n1 ZINC001350739344 925267493 /nfs/dbraw/zinc/26/74/93/925267493.db2.gz MAURJLLCLKNIJC-UHFFFAOYSA-N 2 0 280.372 0.860 20 30 CCEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC1(O)C[NH2+]C1 ZINC001354222350 926047161 /nfs/dbraw/zinc/04/71/61/926047161.db2.gz FTVMJWPHJSSPJL-GFCCVEGCSA-N 2 0 271.405 0.515 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001355464122 926265928 /nfs/dbraw/zinc/26/59/28/926265928.db2.gz OMVDUYJFFBBBNI-UHFFFAOYSA-N 2 0 275.396 0.638 20 30 CCEDRP CCNC(=[NH2+])NCc1cccc(CNC(=[NH2+])NCC)c1 ZINC000039072426 348227826 /nfs/dbraw/zinc/22/78/26/348227826.db2.gz CZCVQFXUDQULBW-UHFFFAOYSA-N 2 0 276.388 0.535 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000572149119 358927892 /nfs/dbraw/zinc/92/78/92/358927892.db2.gz VHXNNXJPLHGKPH-JKSUJKDBSA-N 2 0 296.459 0.903 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000591764104 359654945 /nfs/dbraw/zinc/65/49/45/359654945.db2.gz LCJFMUKJRKFVFL-HNNXBMFYSA-N 2 0 296.459 0.904 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000591893433 359681293 /nfs/dbraw/zinc/68/12/93/359681293.db2.gz XPUJETYXJQYWKV-HZSPNIEDSA-N 2 0 278.400 0.998 20 30 CCEDRP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424360 360300096 /nfs/dbraw/zinc/30/00/96/360300096.db2.gz BOVMYHDRVRRLOB-LLVKDONJSA-N 2 0 254.378 0.841 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426659 360300950 /nfs/dbraw/zinc/30/09/50/360300950.db2.gz QMXCDWURLSQMBU-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000594439665 360308713 /nfs/dbraw/zinc/30/87/13/360308713.db2.gz YKADELNMPGKJQY-DGCLKSJQSA-N 2 0 264.373 0.751 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594442376 360309961 /nfs/dbraw/zinc/30/99/61/360309961.db2.gz QPHUHUKEWSMHPH-CHWSQXEVSA-N 2 0 266.389 0.854 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]2C1 ZINC000594443587 360311583 /nfs/dbraw/zinc/31/15/83/360311583.db2.gz RWSQDSKTKUWHJD-MGPQQGTHSA-N 2 0 278.400 0.950 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594452675 360316524 /nfs/dbraw/zinc/31/65/24/360316524.db2.gz UIPWQCACZMENTJ-SFYZADRCSA-N 2 0 266.267 0.403 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C[NH3+])C1CC1 ZINC000594455655 360317564 /nfs/dbraw/zinc/31/75/64/360317564.db2.gz AQMYRYRZIBRXQV-VXGBXAGGSA-N 2 0 252.362 0.593 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598668731 361477141 /nfs/dbraw/zinc/47/71/41/361477141.db2.gz ZIKTXHXBWOINDD-MDZLAQPJSA-N 2 0 250.346 0.347 20 30 CCEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000598730627 361501493 /nfs/dbraw/zinc/50/14/93/361501493.db2.gz XUDRYBGHGASZNI-QWHCGFSZSA-N 2 0 269.389 0.333 20 30 CCEDRP C#CCCN1CCN(C(=O)C=Cc2c[nH]cn2)CC1 ZINC000283383493 388764590 /nfs/dbraw/zinc/76/45/90/388764590.db2.gz FXLSGKUAHAWIOH-SNAWJCMRSA-N 2 0 258.325 0.590 20 30 CCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@H](CO)[C@H](C)C2)C[C@@H]1CO ZINC000342133590 389197017 /nfs/dbraw/zinc/19/70/17/389197017.db2.gz RGIZQDGPRHVBPC-QKPAOTATSA-N 2 0 280.412 0.110 20 30 CCEDRP CN1CC[NH+]=C1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000262471859 389287418 /nfs/dbraw/zinc/28/74/18/389287418.db2.gz BGAZFLQVJDGXCD-OAHLLOKOSA-N 2 0 288.395 0.644 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000153556312 389303546 /nfs/dbraw/zinc/30/35/46/389303546.db2.gz ZYPUDXCXEVOMPR-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP CN(C)C(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264089783 389305938 /nfs/dbraw/zinc/30/59/38/389305938.db2.gz KNQZNRDZIFGGBE-AWEZNQCLSA-N 2 0 276.384 0.282 20 30 CCEDRP [NH2+]=C(NCCCN1CCOCC1)NCCc1nccs1 ZINC000170909253 389467103 /nfs/dbraw/zinc/46/71/03/389467103.db2.gz GCJGLIUJVVEYPP-UHFFFAOYSA-N 2 0 297.428 0.312 20 30 CCEDRP C#CCN(CC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000271156638 389438792 /nfs/dbraw/zinc/43/87/92/389438792.db2.gz VZFQTUDTARMJSA-UHFFFAOYSA-N 2 0 273.384 0.684 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000351473739 389585118 /nfs/dbraw/zinc/58/51/18/389585118.db2.gz WKIBELLGFZYQSD-HZPDHXFCSA-N 2 0 280.412 0.926 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060139 389872772 /nfs/dbraw/zinc/87/27/72/389872772.db2.gz OFIPKUFDPXOSAA-VXGBXAGGSA-N 2 0 282.388 0.448 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000417529534 389827253 /nfs/dbraw/zinc/82/72/53/389827253.db2.gz PXSAVOYPHWHEHM-GFCCVEGCSA-N 2 0 268.405 0.792 20 30 CCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333157 389984510 /nfs/dbraw/zinc/98/45/10/389984510.db2.gz FDCMFLNQZMPVHJ-CHWSQXEVSA-N 2 0 251.374 0.610 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(C#N)c1 ZINC000530486433 390876923 /nfs/dbraw/zinc/87/69/23/390876923.db2.gz JZFKBSIHKHYSJZ-UHFFFAOYSA-N 2 0 289.383 0.519 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361102 412038053 /nfs/dbraw/zinc/03/80/53/412038053.db2.gz YKGIBQLMGCBCCF-MCIONIFRSA-N 2 0 281.400 0.649 20 30 CCEDRP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)COC ZINC000662299145 414708170 /nfs/dbraw/zinc/70/81/70/414708170.db2.gz LDXQBECODRDXLM-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[NH2+]CCOC)CCC[NH2+]1 ZINC000662763496 414771588 /nfs/dbraw/zinc/77/15/88/414771588.db2.gz CZANPPFSMOPZBB-ZDUSSCGKSA-N 2 0 255.362 0.037 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCC[NH2+]1 ZINC000662419933 414716698 /nfs/dbraw/zinc/71/66/98/414716698.db2.gz PPKRCAMPRCNHCM-OUCADQQQSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662431967 414718096 /nfs/dbraw/zinc/71/80/96/414718096.db2.gz NSCCTNGFSAKTEV-MBNYWOFBSA-N 2 0 267.373 0.259 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)CC2(C)C)CC1 ZINC000490874295 261234148 /nfs/dbraw/zinc/23/41/48/261234148.db2.gz LZQVNDZPSVWWNJ-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364581675 262254518 /nfs/dbraw/zinc/25/45/18/262254518.db2.gz QVTWWPNXOKFTFR-UKRRQHHQSA-N 2 0 263.385 0.753 20 30 CCEDRP C[C@H]1C[NH+]=C(NCc2ccnc(OCC[NH+](C)C)c2)N1 ZINC000262630317 262779288 /nfs/dbraw/zinc/77/92/88/262779288.db2.gz FPLXJXSWDZVKOW-NSHDSACASA-N 2 0 277.372 0.459 20 30 CCEDRP CCNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288727389 263105765 /nfs/dbraw/zinc/10/57/65/263105765.db2.gz MYYYFOIJJAQJIX-UHFFFAOYSA-N 2 0 279.388 0.836 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357077272 266243338 /nfs/dbraw/zinc/24/33/38/266243338.db2.gz AMCIKNBAGNNEOV-GXTWGEPZSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000362800849 267047459 /nfs/dbraw/zinc/04/74/59/267047459.db2.gz JFUJUGKSTSYQBN-GXTWGEPZSA-N 2 0 265.401 0.951 20 30 CCEDRP CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284909709 328246798 /nfs/dbraw/zinc/24/67/98/328246798.db2.gz AZTQNXFAUJLMGJ-WCQYABFASA-N 2 0 278.404 0.727 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034916 329415139 /nfs/dbraw/zinc/41/51/39/329415139.db2.gz PLLSOHBVGUETGL-GFCCVEGCSA-N 2 0 294.399 0.462 20 30 CCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000262286129 330004343 /nfs/dbraw/zinc/00/43/43/330004343.db2.gz KEJBOVMAEVDMAD-MRXNPFEDSA-N 2 0 288.395 0.969 20 30 CCEDRP C[C@H]1C[NH+]=C(NCC2(N3CCCCC3)CC[NH+](C)CC2)N1 ZINC000262669181 330025766 /nfs/dbraw/zinc/02/57/66/330025766.db2.gz QFEXMICNFNGJDH-AWEZNQCLSA-N 2 0 293.459 0.874 20 30 CCEDRP [NH2+]=C(NC[C@H]1CCCO1)NCC1CC[NH+](C2CC2)CC1 ZINC000262779971 330031164 /nfs/dbraw/zinc/03/11/64/330031164.db2.gz KTNUVWAAQATRIP-CQSZACIVSA-N 2 0 280.416 0.944 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000424156706 330304346 /nfs/dbraw/zinc/30/43/46/330304346.db2.gz PXXNDEBMMBFDJF-CQSZACIVSA-N 2 0 274.368 0.995 20 30 CCEDRP C[C@@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCC[NH2+]C1 ZINC000424161326 330306900 /nfs/dbraw/zinc/30/69/00/330306900.db2.gz YAMBXLDLOGMZKX-DGCLKSJQSA-N 2 0 252.362 0.513 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000424164736 330308019 /nfs/dbraw/zinc/30/80/19/330308019.db2.gz DWZXCVACPXPUNR-TZMCWYRMSA-N 2 0 264.373 0.610 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000491164608 332159377 /nfs/dbraw/zinc/15/93/77/332159377.db2.gz CTBILHFKHZRHBS-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000491473486 332217614 /nfs/dbraw/zinc/21/76/14/332217614.db2.gz DUTNKRHDWIRDLP-HNNXBMFYSA-N 2 0 296.415 0.009 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000491535462 332231302 /nfs/dbraw/zinc/23/13/02/332231302.db2.gz BXGKJVXWKSSMRI-HNNXBMFYSA-N 2 0 292.427 0.821 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000491637698 332258382 /nfs/dbraw/zinc/25/83/82/332258382.db2.gz WRAWIOBUJOIQKX-CQSZACIVSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000491646842 332263664 /nfs/dbraw/zinc/26/36/64/332263664.db2.gz VHQCJWPIALVDJC-RRFJBIMHSA-N 2 0 292.427 0.710 20 30 CCEDRP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C#N)cn1 ZINC000581067967 336003235 /nfs/dbraw/zinc/00/32/35/336003235.db2.gz SYMXKGGUMQEXMJ-OKILXGFUSA-N 2 0 272.352 0.959 20 30 CCEDRP C#CCC[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000776592582 582083090 /nfs/dbraw/zinc/08/30/90/582083090.db2.gz JWSNXVSABHSIFN-OAHLLOKOSA-N 2 0 265.401 0.084 20 30 CCEDRP C#CCOCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000851872969 612981659 /nfs/dbraw/zinc/98/16/59/612981659.db2.gz SFCHJASMRAVBJU-UHFFFAOYSA-N 2 0 267.417 0.594 20 30 CCEDRP C#CCNC(=O)[C@@H](C)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260824 612947839 /nfs/dbraw/zinc/94/78/39/612947839.db2.gz GGXVWDNMGUYFNS-ZIAGYGMSSA-N 2 0 286.379 0.730 20 30 CCEDRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000884250564 614225152 /nfs/dbraw/zinc/22/51/52/614225152.db2.gz HXIRJVHTKZVJQG-DCAQKATOSA-N 2 0 252.362 0.224 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977602531 613032179 /nfs/dbraw/zinc/03/21/79/613032179.db2.gz RQXGECIDLYQIDE-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877661749 613038163 /nfs/dbraw/zinc/03/81/63/613038163.db2.gz GIUWZIJPYRYLSQ-AWEZNQCLSA-N 2 0 268.401 0.850 20 30 CCEDRP C#CCN(C(=O)NC[C@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000914393885 613067247 /nfs/dbraw/zinc/06/72/47/613067247.db2.gz RHEKPBUDLPLJLM-OAHLLOKOSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000972330414 613080993 /nfs/dbraw/zinc/08/09/93/613080993.db2.gz GABLHANPAWIDIS-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971566844 613083911 /nfs/dbraw/zinc/08/39/11/613083911.db2.gz KHKRGCGWWWMPIU-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980412764 613091509 /nfs/dbraw/zinc/09/15/09/613091509.db2.gz NQSNNYXYZCBHOT-GJZGRUSLSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC)C2)CC1 ZINC000962810275 613129962 /nfs/dbraw/zinc/12/99/62/613129962.db2.gz XBAXEEOPTOVONF-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982012730 613143492 /nfs/dbraw/zinc/14/34/92/613143492.db2.gz FXHJVWFOTIXYNO-CABCVRRESA-N 2 0 289.423 0.742 20 30 CCEDRP CNC(NC[C@H]1CN(Cc2ccccc2C)CCO1)=[NH+]C ZINC000864358435 613218962 /nfs/dbraw/zinc/21/89/62/613218962.db2.gz ZXUIYVVBHPQTQP-HNNXBMFYSA-N 2 0 290.411 0.991 20 30 CCEDRP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962562496 613280745 /nfs/dbraw/zinc/28/07/45/613280745.db2.gz ZSPLIBLZQWXHQC-BYNSBNAKSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900604146 613304638 /nfs/dbraw/zinc/30/46/38/613304638.db2.gz BBHLOLIDQNAUIT-GOEBONIOSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959872257 613313006 /nfs/dbraw/zinc/31/30/06/613313006.db2.gz MWBKQHBTRDIORL-FICVDOATSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961773704 613313706 /nfs/dbraw/zinc/31/37/06/613313706.db2.gz PVBFPIVDDJFVEX-CXTNEJHOSA-N 2 0 261.369 0.150 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C(C)(C)C1 ZINC000972992809 613341976 /nfs/dbraw/zinc/34/19/76/613341976.db2.gz UUKMLCRKSFUTJI-KGLIPLIRSA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889745212 613364253 /nfs/dbraw/zinc/36/42/53/613364253.db2.gz RQQPHIZAUUJFMC-HUUCEWRRSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000901057569 613364658 /nfs/dbraw/zinc/36/46/58/613364658.db2.gz KJFSEYCKTFPUDD-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831708405 613364895 /nfs/dbraw/zinc/36/48/95/613364895.db2.gz RUAOHYGDTBQPIS-ZDUSSCGKSA-N 2 0 271.405 0.577 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900441714 613365002 /nfs/dbraw/zinc/36/50/02/613365002.db2.gz NBUZUASHBJULLN-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861987192 613365910 /nfs/dbraw/zinc/36/59/10/613365910.db2.gz ZTMKPFBHKGROEU-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913693889 613366088 /nfs/dbraw/zinc/36/60/88/613366088.db2.gz UGWGDEYVOPVGKW-UHFFFAOYSA-N 2 0 283.416 0.411 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827277928 613366289 /nfs/dbraw/zinc/36/62/89/613366289.db2.gz RHMVFGNBXCWOOD-STQMWFEESA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000854981706 613366802 /nfs/dbraw/zinc/36/68/02/613366802.db2.gz ZFKSUAPAVLDOLC-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877183748 613389068 /nfs/dbraw/zinc/38/90/68/613389068.db2.gz CXWVMAMAZKCFSB-YZRBJQDESA-N 2 0 257.765 0.939 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000876986038 613389683 /nfs/dbraw/zinc/38/96/83/613389683.db2.gz WWZNGOGWZSAWRN-JFGNBEQYSA-N 2 0 257.765 0.796 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000876807219 613389719 /nfs/dbraw/zinc/38/97/19/613389719.db2.gz ZFEQBDGBMMTHLO-JQWIXIFHSA-N 2 0 257.765 0.668 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961959577 613633319 /nfs/dbraw/zinc/63/33/19/613633319.db2.gz VWSLBUCBIOWXIG-QLPKVWCKSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000891521208 613674973 /nfs/dbraw/zinc/67/49/73/613674973.db2.gz FDBHKSIVNFLQSG-NEPJUHHUSA-N 2 0 266.389 0.768 20 30 CCEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499727 613739620 /nfs/dbraw/zinc/73/96/20/613739620.db2.gz MRMXIJJAWYDXEU-JHJVBQTASA-N 2 0 251.374 0.690 20 30 CCEDRP C=CCOCCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925705339 613880303 /nfs/dbraw/zinc/88/03/03/613880303.db2.gz ALIQJPJHEDQYOA-COVPZLACSA-N 2 0 254.374 0.921 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)C(C)C ZINC000104191708 615144428 /nfs/dbraw/zinc/14/44/28/615144428.db2.gz RFSMGOLUFSRQFS-ZDUSSCGKSA-N 3 0 269.437 0.715 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000104174669 615159768 /nfs/dbraw/zinc/15/97/68/615159768.db2.gz VQDUIHXTJBYAPV-CQSZACIVSA-N 2 0 283.464 0.917 20 30 CCEDRP C[NH+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884175843 615880784 /nfs/dbraw/zinc/88/07/84/615880784.db2.gz KKWXYOGRFQRMRX-MBHSVXNSSA-N 2 0 264.373 0.194 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198337 616195769 /nfs/dbraw/zinc/19/57/69/616195769.db2.gz SJYCVUVELSDZQP-SBEAFCBVSA-N 2 0 276.384 0.336 20 30 CCEDRP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876978709 616976633 /nfs/dbraw/zinc/97/66/33/616976633.db2.gz TYPJDDKCMFKNFQ-QMTHXVAHSA-N 2 0 272.352 0.469 20 30 CCEDRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867966973 617054095 /nfs/dbraw/zinc/05/40/95/617054095.db2.gz WMNQBASOFBQZJM-DZGCQCFKSA-N 2 0 284.363 0.565 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026046131 625325416 /nfs/dbraw/zinc/32/54/16/625325416.db2.gz VYSUIYYJMKBJNI-XPABHHOTSA-N 2 0 277.412 0.807 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022718883 622696385 /nfs/dbraw/zinc/69/63/85/622696385.db2.gz GAIAJCWICXAIQP-NDBYEHHHSA-N 2 0 251.374 0.607 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022718885 622696718 /nfs/dbraw/zinc/69/67/18/622696718.db2.gz GAIAJCWICXAIQP-WUHRBBMRSA-N 2 0 251.374 0.607 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022836951 622788815 /nfs/dbraw/zinc/78/88/15/622788815.db2.gz GZTSTCXVFXRTMH-LXTVHRRPSA-N 2 0 275.396 0.873 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023291109 622985362 /nfs/dbraw/zinc/98/53/62/622985362.db2.gz FASCOFXYHCZUDR-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001020927975 624625782 /nfs/dbraw/zinc/62/57/82/624625782.db2.gz RMIBFCCLKZAAID-KBUPBQIOSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001022585028 625048645 /nfs/dbraw/zinc/04/86/45/625048645.db2.gz JLYMXNPARATPFQ-KFWWJZLASA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CC)C2)CC1 ZINC001027234415 625763653 /nfs/dbraw/zinc/76/36/53/625763653.db2.gz WATPEDALKCXWEB-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027650984 630833943 /nfs/dbraw/zinc/83/39/43/630833943.db2.gz HJNUROCCKJJUIB-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N(C)Cc1cccn1C ZINC000261944281 631718108 /nfs/dbraw/zinc/71/81/08/631718108.db2.gz FHRVRQBJHBBAJY-ZDUSSCGKSA-N 2 0 277.416 0.984 20 30 CCEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000261967554 631736882 /nfs/dbraw/zinc/73/68/82/631736882.db2.gz BUZHRRCLHWGUOM-UHFFFAOYSA-N 2 0 267.421 0.328 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261989442 631744331 /nfs/dbraw/zinc/74/43/31/631744331.db2.gz QXBUNGYXVVNJBF-FPMFFAJLSA-N 2 0 280.416 0.813 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359433 632861277 /nfs/dbraw/zinc/86/12/77/632861277.db2.gz OLVNFROHFUMWAN-CHWSQXEVSA-N 2 0 263.385 0.847 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987517667 632875042 /nfs/dbraw/zinc/87/50/42/632875042.db2.gz IZCMVEVAAUISFK-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCF)C[C@@H]2C)CC1 ZINC000989829686 633359151 /nfs/dbraw/zinc/35/91/51/633359151.db2.gz UXLQHKKQKXVMCR-ZFWWWQNUSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992903823 637633077 /nfs/dbraw/zinc/63/30/77/637633077.db2.gz DECMQPGGCNAWPN-OWCLPIDISA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1(C)C ZINC000995923745 638804583 /nfs/dbraw/zinc/80/45/83/638804583.db2.gz NQAIEOUWORFHTE-BZPMIXESSA-N 2 0 286.379 0.973 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999172101 638964296 /nfs/dbraw/zinc/96/42/96/638964296.db2.gz ZYGSBVNCSHTTCG-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001000533273 639114335 /nfs/dbraw/zinc/11/43/35/639114335.db2.gz RXDZRSOCDPELEL-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001000688572 639153056 /nfs/dbraw/zinc/15/30/56/639153056.db2.gz KRWRPNXWJQJRAP-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001000800433 639169097 /nfs/dbraw/zinc/16/90/97/639169097.db2.gz LACWHIGGRHOUJZ-HOCLYGCPSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001001237492 639265091 /nfs/dbraw/zinc/26/50/91/639265091.db2.gz HVMCQCFYQJLBIP-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001376372 639290643 /nfs/dbraw/zinc/29/06/43/639290643.db2.gz LWWIBUSZFSPCHW-UHFFFAOYSA-N 2 0 287.407 0.854 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244159 639521655 /nfs/dbraw/zinc/52/16/55/639521655.db2.gz KWRFWBKTWRFFFU-UHFFFAOYSA-N 2 0 275.396 0.829 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636874 639582355 /nfs/dbraw/zinc/58/23/55/639582355.db2.gz XZUMWDBFGPLYGU-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015708696 650613323 /nfs/dbraw/zinc/61/33/23/650613323.db2.gz JTJDZUSTOGCNJF-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818542944 641334968 /nfs/dbraw/zinc/33/49/68/641334968.db2.gz YSQYONGMJGXDFU-CYBMUJFWSA-N 2 0 276.340 0.984 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015998880 650672196 /nfs/dbraw/zinc/67/21/96/650672196.db2.gz RFGLFAXFQXJTJO-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016251533 650706195 /nfs/dbraw/zinc/70/61/95/650706195.db2.gz VPXQOMOGPZVPFY-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000831971314 642424164 /nfs/dbraw/zinc/42/41/64/642424164.db2.gz VFJAXYZLGSDJAH-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000841849585 642843818 /nfs/dbraw/zinc/84/38/18/642843818.db2.gz BZWFSKQDXYEMPP-IVMMDQJWSA-N 2 0 284.363 0.145 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018266808 650850345 /nfs/dbraw/zinc/85/03/45/650850345.db2.gz RWXDWNBFUNMMRP-SOUVJXGZSA-N 2 0 275.396 0.637 20 30 CCEDRP [NH3+][C@H]1Cc2ccccc2N(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852893138 644045657 /nfs/dbraw/zinc/04/56/57/644045657.db2.gz RIKARTQIPZVFQX-HNNXBMFYSA-N 2 0 283.375 0.906 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC1CC[NH2+]CC1 ZINC000876502589 646613583 /nfs/dbraw/zinc/61/35/83/646613583.db2.gz FJWUQZHPTKDTIX-HNNXBMFYSA-N 2 0 284.363 0.613 20 30 CCEDRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877107584 646735225 /nfs/dbraw/zinc/73/52/25/646735225.db2.gz JLPCPQDXBKIEMK-HZMBPMFUSA-N 2 0 272.352 0.551 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000884202353 647667522 /nfs/dbraw/zinc/66/75/22/647667522.db2.gz WZJVYDHIDQFMEC-BWAOXVRWSA-N 2 0 288.395 0.479 20 30 CCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884338285 647711409 /nfs/dbraw/zinc/71/14/09/647711409.db2.gz CVRSNWXTVOPFFO-HFXYEQLZSA-N 2 0 278.400 0.615 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303370714 649817387 /nfs/dbraw/zinc/81/73/87/649817387.db2.gz KNTZVISHPUDCGW-ZDUSSCGKSA-N 2 0 269.437 0.717 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303379872 649817642 /nfs/dbraw/zinc/81/76/42/649817642.db2.gz QMJFWPDCSIMOGG-STQMWFEESA-N 2 0 269.437 0.573 20 30 CCEDRP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000303408242 649819223 /nfs/dbraw/zinc/81/92/23/649819223.db2.gz TUHHXXNHAVDTTI-JQWIXIFHSA-N 2 0 254.378 0.552 20 30 CCEDRP CC[NH+](CC)CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303695140 649824025 /nfs/dbraw/zinc/82/40/25/649824025.db2.gz DJXIELNDTKTSSM-UHFFFAOYSA-N 2 0 299.463 0.345 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)NC(C)C ZINC000303781939 649825070 /nfs/dbraw/zinc/82/50/70/649825070.db2.gz MSJFUIVMSGZKFV-LBPRGKRZSA-N 2 0 283.420 0.290 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303791793 649825087 /nfs/dbraw/zinc/82/50/87/649825087.db2.gz XVYZKEJPBKFJJG-NEPJUHHUSA-N 2 0 258.410 0.902 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCCOC ZINC000303784623 649825162 /nfs/dbraw/zinc/82/51/62/649825162.db2.gz PMCOGLIXMATJKM-ZDUSSCGKSA-N 2 0 286.420 0.428 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCCC1 ZINC000303864716 649825765 /nfs/dbraw/zinc/82/57/65/649825765.db2.gz BCARFKCPCDSFMK-GFCCVEGCSA-N 2 0 254.378 0.365 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303881139 649826271 /nfs/dbraw/zinc/82/62/71/649826271.db2.gz HLRWCZFEUPHFKI-RYUDHWBXSA-N 2 0 256.394 0.800 20 30 CCEDRP CCN1CC[NH+](CCCC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000303888511 649826551 /nfs/dbraw/zinc/82/65/51/649826551.db2.gz LLOPBUVVIQQRNN-UHFFFAOYSA-N 2 0 283.464 0.883 20 30 CCEDRP CCCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303910501 649826764 /nfs/dbraw/zinc/82/67/64/649826764.db2.gz YZCNYXAPAABDCP-UHFFFAOYSA-N 2 0 255.410 0.328 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303989630 649827776 /nfs/dbraw/zinc/82/77/76/649827776.db2.gz XSNWLJBCCHMMAV-UHFFFAOYSA-N 2 0 267.421 0.494 20 30 CCEDRP CC(C)CCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304720726 649837723 /nfs/dbraw/zinc/83/77/23/649837723.db2.gz ONPCNQPATGPMJX-UHFFFAOYSA-N 2 0 283.464 0.963 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccnc1 ZINC000304764042 649838928 /nfs/dbraw/zinc/83/89/28/649838928.db2.gz XMBIXAQINFYUDE-CYBMUJFWSA-N 2 0 291.399 0.849 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208264493 790418754 /nfs/dbraw/zinc/41/87/54/790418754.db2.gz MNSBVPFANBFPFL-UONOGXRCSA-N 2 0 283.391 0.880 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266482741 790774433 /nfs/dbraw/zinc/77/44/33/790774433.db2.gz HUKAHSDDRCROCM-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001266480586 790775110 /nfs/dbraw/zinc/77/51/10/790775110.db2.gz UBHJZCHECCQCJU-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267046587 791477241 /nfs/dbraw/zinc/47/72/41/791477241.db2.gz FLLXFCCECISHJH-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267121543 791563718 /nfs/dbraw/zinc/56/37/18/791563718.db2.gz CAZWUGAUMRDEPN-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001121653192 799063413 /nfs/dbraw/zinc/06/34/13/799063413.db2.gz BJMMPBAALZJHAD-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001278139984 806715225 /nfs/dbraw/zinc/71/52/25/806715225.db2.gz XGSJVYTWYKWGMX-IHRRRGAJSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CC[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122064019 799133516 /nfs/dbraw/zinc/13/35/16/799133516.db2.gz UGUALMQVSAKFCB-UHFFFAOYSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC#C)CC1 ZINC001278176800 806740641 /nfs/dbraw/zinc/74/06/41/806740641.db2.gz ACOTYCSHQRYWKS-UHFFFAOYSA-N 2 0 275.396 0.498 20 30 CCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001124872452 799641096 /nfs/dbraw/zinc/64/10/96/799641096.db2.gz GHPFTJOYDPVZQW-INIZCTEOSA-N 2 0 285.391 0.838 20 30 CCEDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203010469 799886116 /nfs/dbraw/zinc/88/61/16/799886116.db2.gz NERDVKDGTGIMNY-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156646 800404574 /nfs/dbraw/zinc/40/45/74/800404574.db2.gz FVRDTVDQXYBBHJ-CQSZACIVSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471520 800527121 /nfs/dbraw/zinc/52/71/21/800527121.db2.gz LVXNQIHLZPBRIQ-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP N#Cc1c(N[C@@H]2COC[C@@H]2[NH3+])ncc2c1CCC[NH2+]C2 ZINC001155347315 800956061 /nfs/dbraw/zinc/95/60/61/800956061.db2.gz VFDLQOZQMJHQCT-QWHCGFSZSA-N 2 0 273.340 0.127 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001278294801 806892203 /nfs/dbraw/zinc/89/22/03/806892203.db2.gz WETMOXOYZRVSQC-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157715855 801461384 /nfs/dbraw/zinc/46/13/84/801461384.db2.gz JSWFZLRHYNGWPR-KBPBESRZSA-N 2 0 283.416 0.897 20 30 CCEDRP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C#N)cc2F)CC1 ZINC001157915533 801520174 /nfs/dbraw/zinc/52/01/74/801520174.db2.gz RKMZDEGMFRQCEK-UHFFFAOYSA-N 2 0 262.292 0.686 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001278855791 808339459 /nfs/dbraw/zinc/33/94/59/808339459.db2.gz VJCOELQFRCJESM-QLFBSQMISA-N 2 0 295.427 0.101 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cncc(CC#N)n1 ZINC001163128936 802488720 /nfs/dbraw/zinc/48/87/20/802488720.db2.gz QRJPRPPDOIWYKP-UHFFFAOYSA-N 2 0 275.360 0.821 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163819864 802618497 /nfs/dbraw/zinc/61/84/97/802618497.db2.gz BDRCUSBOFSGKMQ-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163825151 802618918 /nfs/dbraw/zinc/61/89/18/802618918.db2.gz LETNLCAXWRWETF-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851366 802625418 /nfs/dbraw/zinc/62/54/18/802625418.db2.gz KVEBJJKZOFAXOU-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CC[N@@H+](C)CCN(C)C(=O)Cc1[nH]cnc1C ZINC001268255520 812420891 /nfs/dbraw/zinc/42/08/91/812420891.db2.gz GJKLZVLYVBILGO-UHFFFAOYSA-N 2 0 250.346 0.837 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203641698 803040093 /nfs/dbraw/zinc/04/00/93/803040093.db2.gz UJAPCALBCFSQMZ-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP N#Cc1cccc(CCC[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464103 803247642 /nfs/dbraw/zinc/24/76/42/803247642.db2.gz KDSCAZMQCYWVIH-LSDHHAIUSA-N 2 0 259.353 0.742 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928720 803310544 /nfs/dbraw/zinc/31/05/44/803310544.db2.gz GQNBUXPUCBGKEU-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550759 803418437 /nfs/dbraw/zinc/41/84/37/803418437.db2.gz IFFZHXKFZJWKFH-YUELXQCFSA-N 2 0 277.412 0.786 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435209 803514528 /nfs/dbraw/zinc/51/45/28/803514528.db2.gz XCGJPSIMHOPQPG-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001276596246 803551335 /nfs/dbraw/zinc/55/13/35/803551335.db2.gz WZXSFVXCHTVJHM-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210298241 803647210 /nfs/dbraw/zinc/64/72/10/803647210.db2.gz MUBWCEUZUFRQMD-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000402125698 803814075 /nfs/dbraw/zinc/81/40/75/803814075.db2.gz CNSNTVKDEZZRHD-OCCSQVGLSA-N 2 0 275.352 0.579 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309881587 804016364 /nfs/dbraw/zinc/01/63/64/804016364.db2.gz JSMXOFOBYPJSPA-INIZCTEOSA-N 2 0 285.391 0.848 20 30 CCEDRP COc1cccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1C#N ZINC001218978211 804171849 /nfs/dbraw/zinc/17/18/49/804171849.db2.gz NHDGVEFNZMIZKQ-CQSZACIVSA-N 2 0 288.351 0.832 20 30 CCEDRP C=CCN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052197 804187071 /nfs/dbraw/zinc/18/70/71/804187071.db2.gz KPDHNMHACRZLNQ-UONOGXRCSA-N 2 0 281.400 0.424 20 30 CCEDRP N#C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC001219558350 804347504 /nfs/dbraw/zinc/34/75/04/804347504.db2.gz OCPBWKQMXRXGCT-UONOGXRCSA-N 2 0 272.352 0.694 20 30 CCEDRP N#C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccccc1 ZINC001219558124 804347538 /nfs/dbraw/zinc/34/75/38/804347538.db2.gz KKMPYKJNOFTNSE-OLZOCXBDSA-N 2 0 270.336 0.176 20 30 CCEDRP N#C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccccc1 ZINC001219558797 804350095 /nfs/dbraw/zinc/35/00/95/804350095.db2.gz WEUJFVNYMQHITR-IIAWOOMASA-N 2 0 284.363 0.567 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221973056 804857112 /nfs/dbraw/zinc/85/71/12/804857112.db2.gz XHUUCWOTVLHIAY-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430241 804971869 /nfs/dbraw/zinc/97/18/69/804971869.db2.gz JZOUPDWTAILACH-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658570 815052042 /nfs/dbraw/zinc/05/20/42/815052042.db2.gz JBBCOVULENRPNE-APIJFGDWSA-N 2 0 293.411 0.308 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)CCc2ncc[nH]2)CC1 ZINC001227137657 805326450 /nfs/dbraw/zinc/32/64/50/805326450.db2.gz DDCSNFGPNAIRFB-UHFFFAOYSA-N 2 0 274.368 0.946 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001277216486 805361218 /nfs/dbraw/zinc/36/12/18/805361218.db2.gz CVROBYOOQRDBRI-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001227818657 805394830 /nfs/dbraw/zinc/39/48/30/805394830.db2.gz ZGLFDCAFCYCRQY-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245988820 807108263 /nfs/dbraw/zinc/10/82/63/807108263.db2.gz WWACKAHIWGPGPE-CHWSQXEVSA-N 2 0 253.390 0.387 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001246513192 807270090 /nfs/dbraw/zinc/27/00/90/807270090.db2.gz QRUBNWCLOYLBJB-UTUOFQBUSA-N 2 0 252.362 0.512 20 30 CCEDRP C[C@@H]1C[N@@H+]([C@H]2CCN[C@H](C#N)C2)CCC[C@@H]1C[NH3+] ZINC001246563929 807292877 /nfs/dbraw/zinc/29/28/77/807292877.db2.gz WCXVQEFNUGWSTO-MQYQWHSLSA-N 2 0 250.390 0.937 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001278594632 807611458 /nfs/dbraw/zinc/61/14/58/807611458.db2.gz OMVNZYYWMFHQBZ-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278614500 807622659 /nfs/dbraw/zinc/62/26/59/807622659.db2.gz XTRSKTYRXFHWLR-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001251821401 807708918 /nfs/dbraw/zinc/70/89/18/807708918.db2.gz NVMBNXYFYZQMLU-AWEZNQCLSA-N 2 0 254.374 0.319 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472674 815142907 /nfs/dbraw/zinc/14/29/07/815142907.db2.gz KWYKGYSJYWYDHS-TUVASFSCSA-N 2 0 295.427 0.454 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001251896933 807740979 /nfs/dbraw/zinc/74/09/79/807740979.db2.gz QBRRQHLMGIVZJK-MELADBBJSA-N 2 0 254.374 0.460 20 30 CCEDRP C=CCOC[C@@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001252467426 807879356 /nfs/dbraw/zinc/87/93/56/807879356.db2.gz YKRCPMSFHYLPSS-AWEZNQCLSA-N 2 0 256.390 0.824 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001252471207 807881142 /nfs/dbraw/zinc/88/11/42/807881142.db2.gz VDASIHQQCNRVIN-CQSZACIVSA-N 2 0 268.401 0.968 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001253581851 808088300 /nfs/dbraw/zinc/08/83/00/808088300.db2.gz KMNCHRQACGGNGT-CQSZACIVSA-N 2 0 253.390 0.245 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278806270 808276562 /nfs/dbraw/zinc/27/65/62/808276562.db2.gz XVDKLHKBSHFKKO-ZFWWWQNUSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278827436 808299024 /nfs/dbraw/zinc/29/90/24/808299024.db2.gz NKRBLCDPGKTYEM-KGLIPLIRSA-N 2 0 283.416 0.313 20 30 CCEDRP CC(C)[NH2+]C1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001256579279 808536663 /nfs/dbraw/zinc/53/66/63/808536663.db2.gz JXAZQGQPRUYEDY-UHFFFAOYSA-N 2 0 280.416 0.723 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]1[NH3+] ZINC001261552488 809018797 /nfs/dbraw/zinc/01/87/97/809018797.db2.gz UAKOSSSSQKPAJY-GRYCIOLGSA-N 2 0 252.362 0.593 20 30 CCEDRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261458533 808981142 /nfs/dbraw/zinc/98/11/42/808981142.db2.gz BUESEZPPYZDJCZ-CHWSQXEVSA-N 2 0 266.389 0.808 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001265370320 809767118 /nfs/dbraw/zinc/76/71/18/809767118.db2.gz OUHQNAFYIZTKPU-JSGCOSHPSA-N 2 0 263.385 0.446 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265785744 809852651 /nfs/dbraw/zinc/85/26/51/809852651.db2.gz GWPCVZWIOTUADW-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CCC[N@@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001267331949 811165929 /nfs/dbraw/zinc/16/59/29/811165929.db2.gz XKKMSMDDCWVOSW-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023820 815433904 /nfs/dbraw/zinc/43/39/04/815433904.db2.gz UOSLAXXOLYFJJZ-AAVRWANBSA-N 2 0 281.400 0.064 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267558600 811443818 /nfs/dbraw/zinc/44/38/18/811443818.db2.gz CMVRZJJEODCIAY-GDBMZVCRSA-N 2 0 289.423 0.790 20 30 CCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267574943 811468522 /nfs/dbraw/zinc/46/85/22/811468522.db2.gz XXBIVJFCWUOZBZ-HNNXBMFYSA-N 2 0 296.459 0.589 20 30 CCEDRP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864326 811844157 /nfs/dbraw/zinc/84/41/57/811844157.db2.gz BJSCJULGZVXZCF-BBRMVZONSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100867459 812070657 /nfs/dbraw/zinc/07/06/57/812070657.db2.gz WCVSVMQSQCTGLS-UHFFFAOYSA-N 2 0 269.389 0.235 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268101311 812259721 /nfs/dbraw/zinc/25/97/21/812259721.db2.gz WMIQYRJBFHWMOH-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001268220136 812373216 /nfs/dbraw/zinc/37/32/16/812373216.db2.gz GTZMYBDPUFXYMI-HNNXBMFYSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001028600679 812955307 /nfs/dbraw/zinc/95/53/07/812955307.db2.gz BOAMICWWAXXXGN-GJZGRUSLSA-N 2 0 295.402 0.882 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001269407579 813359645 /nfs/dbraw/zinc/35/96/45/813359645.db2.gz FVQYBUXYKGDKGU-HZSPNIEDSA-N 2 0 265.401 0.834 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269523147 813403337 /nfs/dbraw/zinc/40/33/37/813403337.db2.gz YUAONWYYJGJSHI-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC)[NH+](C)C ZINC001270228841 813687422 /nfs/dbraw/zinc/68/74/22/813687422.db2.gz RTESKNSMPWTGAB-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028987225 813726552 /nfs/dbraw/zinc/72/65/52/813726552.db2.gz WKINHRDIKWGJPJ-KGLIPLIRSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270485981 813781000 /nfs/dbraw/zinc/78/10/00/813781000.db2.gz HWQGNRBVPMWNJX-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001270819345 813951261 /nfs/dbraw/zinc/95/12/61/813951261.db2.gz MIGYNAVHAMYAMG-UHFFFAOYSA-N 2 0 263.385 0.734 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075800057 814063228 /nfs/dbraw/zinc/06/32/28/814063228.db2.gz PKWIVHOFIUIOLA-HRCADAONSA-N 2 0 287.407 0.494 20 30 CCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001271144524 814206132 /nfs/dbraw/zinc/20/61/32/814206132.db2.gz CKJZGONXTDXPPS-GOEBONIOSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993036 814306359 /nfs/dbraw/zinc/30/63/59/814306359.db2.gz XAGUTPGYTHVFCE-PMPSAXMXSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001271285810 814365742 /nfs/dbraw/zinc/36/57/42/814365742.db2.gz KGAYYJSKZWBVBH-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106059 814410387 /nfs/dbraw/zinc/41/03/87/814410387.db2.gz LYUHLFKJOMPEBD-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001271451220 814444030 /nfs/dbraw/zinc/44/40/30/814444030.db2.gz YKGMSMFPNFUVFT-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001271522880 814470157 /nfs/dbraw/zinc/47/01/57/814470157.db2.gz YFUSLOJKHSOBOO-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203214777 815821027 /nfs/dbraw/zinc/82/10/27/815821027.db2.gz OSETYXFSOSVWKF-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C[C@@H](CC[NH2+]C[C@H](O)CN(C)CCC#N)[NH+](C)C ZINC001120488872 816089925 /nfs/dbraw/zinc/08/99/25/816089925.db2.gz KZHCBNILNMJZKC-STQMWFEESA-N 2 0 256.394 0.123 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001272301549 816285832 /nfs/dbraw/zinc/28/58/32/816285832.db2.gz JXALWHBIGFKUJK-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272323188 816312542 /nfs/dbraw/zinc/31/25/42/816312542.db2.gz NXZHVJPZNNSURU-LSDHHAIUSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001272555155 816576636 /nfs/dbraw/zinc/57/66/36/816576636.db2.gz IWRUETKQWDILJZ-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000176492161 816609387 /nfs/dbraw/zinc/60/93/87/816609387.db2.gz ZPWDFNKTGZYLNO-OLZOCXBDSA-N 2 0 286.420 0.427 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473978 817144742 /nfs/dbraw/zinc/14/47/42/817144742.db2.gz DVBZCUDHZRKOBM-GFCCVEGCSA-N 2 0 271.792 0.787 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124837847 817591518 /nfs/dbraw/zinc/59/15/18/817591518.db2.gz PPLMWCLADBCMOJ-JTQLQIEISA-N 2 0 290.205 0.695 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001124872910 817606938 /nfs/dbraw/zinc/60/69/38/817606938.db2.gz ORDKKNJADYEPNI-OAHLLOKOSA-N 2 0 286.379 0.858 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679333 817983755 /nfs/dbraw/zinc/98/37/55/817983755.db2.gz OVHFAVLYIHRBKR-RRFJBIMHSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078813252 818054991 /nfs/dbraw/zinc/05/49/91/818054991.db2.gz XZSWZXDIPBENEM-ZIAGYGMSSA-N 2 0 275.396 0.732 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273001846 818294367 /nfs/dbraw/zinc/29/43/67/818294367.db2.gz NLXFBEVCJNMKQS-LSDHHAIUSA-N 2 0 297.443 0.707 20 30 CCEDRP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033096988 818514807 /nfs/dbraw/zinc/51/48/07/818514807.db2.gz SLPHMNBSQAOOHX-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033204894 818649847 /nfs/dbraw/zinc/64/98/47/818649847.db2.gz APOKCWKPEYVKHS-DZGCQCFKSA-N 2 0 286.379 0.611 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001033704739 818892666 /nfs/dbraw/zinc/89/26/66/818892666.db2.gz ZIROTVWTMUXUHC-ZDUSSCGKSA-N 2 0 262.357 0.992 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525237 819228078 /nfs/dbraw/zinc/22/80/78/819228078.db2.gz KPMORJYWQRQCEL-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035851683 819633343 /nfs/dbraw/zinc/63/33/43/819633343.db2.gz ITTQXVHGYOYHNM-CQSZACIVSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001036296466 819721931 /nfs/dbraw/zinc/72/19/31/819721931.db2.gz JCIDUPYZSKMMTR-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080447002 820578830 /nfs/dbraw/zinc/57/88/30/820578830.db2.gz UABFGJVKMPBMFZ-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1C ZINC001082663136 821014421 /nfs/dbraw/zinc/01/44/21/821014421.db2.gz AHPRNTUIBHNNPJ-FVQBIDKESA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923517 821064464 /nfs/dbraw/zinc/06/44/64/821064464.db2.gz NFSRVFBPPOPFPZ-RBSFLKMASA-N 2 0 293.411 0.024 20 30 CCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023777 821113275 /nfs/dbraw/zinc/11/32/75/821113275.db2.gz OSQPSICFYNKWDY-SOUVJXGZSA-N 2 0 293.411 0.568 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871866 821466414 /nfs/dbraw/zinc/46/64/14/821466414.db2.gz LEVSVDVMICWFKH-UONOGXRCSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001086101945 822114246 /nfs/dbraw/zinc/11/42/46/822114246.db2.gz BZXUHKSABRGFCH-QLFBSQMISA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197366 822151772 /nfs/dbraw/zinc/15/17/72/822151772.db2.gz FFYOHCQBFZJLSL-MQYQWHSLSA-N 2 0 265.401 0.855 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082691 822253698 /nfs/dbraw/zinc/25/36/98/822253698.db2.gz GYSGSTJMCOKPMQ-LSDHHAIUSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001098449635 822307116 /nfs/dbraw/zinc/30/71/16/822307116.db2.gz DWZRYXRFBGKEIG-OAHLLOKOSA-N 2 0 295.427 0.552 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(-n2nncc2C[NH3+])cc1C#N ZINC001169311867 836191156 /nfs/dbraw/zinc/19/11/56/836191156.db2.gz GVNPFWYIALLRSJ-CXUHLZMHSA-N 2 0 269.312 0.819 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001108749584 836522023 /nfs/dbraw/zinc/52/20/23/836522023.db2.gz FPGDXMZGYITUNB-ZNMIVQPWSA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362617 836524185 /nfs/dbraw/zinc/52/41/85/836524185.db2.gz ATIXXDGNJSFFDZ-OAHLLOKOSA-N 2 0 293.411 0.359 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520089 838120415 /nfs/dbraw/zinc/12/04/15/838120415.db2.gz UACAYTRXEQHGFA-NPCAHTBFSA-N 2 0 293.411 0.522 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001133246389 838582648 /nfs/dbraw/zinc/58/26/48/838582648.db2.gz VUCZYAIZRHDUDN-LSDHHAIUSA-N 2 0 289.423 0.790 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385000 844406761 /nfs/dbraw/zinc/40/67/61/844406761.db2.gz JYUZNLCQUSSBPP-OAHLLOKOSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135508108 839264825 /nfs/dbraw/zinc/26/48/25/839264825.db2.gz GHQBUOQBQIFBJV-UHFFFAOYSA-N 2 0 292.221 0.943 20 30 CCEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923206 839472307 /nfs/dbraw/zinc/47/23/07/839472307.db2.gz IXBNQYIWLSDQLB-OLZOCXBDSA-N 2 0 271.405 0.624 20 30 CCEDRP COC(OC)c1c(C#N)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170896843 839541289 /nfs/dbraw/zinc/54/12/89/839541289.db2.gz AMEUECCYPORKDG-JTQLQIEISA-N 2 0 279.344 0.680 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001185789495 844459492 /nfs/dbraw/zinc/45/94/92/844459492.db2.gz VCJFLRHFYODTPQ-HUUCEWRRSA-N 2 0 288.395 0.981 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCO)CC1 ZINC001146610582 840334565 /nfs/dbraw/zinc/33/45/65/840334565.db2.gz KKPBUFJKZWOZMK-KBPBESRZSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147825067 840692282 /nfs/dbraw/zinc/69/22/82/840692282.db2.gz NVNXIOYJNXUSLU-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161866 842338347 /nfs/dbraw/zinc/33/83/47/842338347.db2.gz RYCGRKONZHMMCP-CQSZACIVSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179420103 843000340 /nfs/dbraw/zinc/00/03/40/843000340.db2.gz DJXZAVONONOFKZ-STQMWFEESA-N 2 0 263.385 0.540 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288168 844005481 /nfs/dbraw/zinc/00/54/81/844005481.db2.gz AZPVJHRZNRROQQ-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccnc(C#N)c1 ZINC001191559033 845690545 /nfs/dbraw/zinc/69/05/45/845690545.db2.gz DJJMTUCALGYWPU-UHFFFAOYSA-N 2 0 288.355 0.631 20 30 CCEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193280774 846040329 /nfs/dbraw/zinc/04/03/29/846040329.db2.gz XVAKAPZCBPDRTP-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155501 846224636 /nfs/dbraw/zinc/22/46/36/846224636.db2.gz UJQRNASTTKKFRB-CABCVRRESA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C/C=C/Cl)CC1 ZINC001152331071 846899298 /nfs/dbraw/zinc/89/92/98/846899298.db2.gz ZOBBMHBHUSUKKD-ZZXKWVIFSA-N 2 0 283.803 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335428 847771270 /nfs/dbraw/zinc/77/12/70/847771270.db2.gz OLBSQCNGMKMMRZ-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800392 847813050 /nfs/dbraw/zinc/81/30/50/847813050.db2.gz JHAVELZMDHZTJV-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001273910405 847820493 /nfs/dbraw/zinc/82/04/93/847820493.db2.gz HSFWCLLMYJUWHK-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001273931251 847865710 /nfs/dbraw/zinc/86/57/10/847865710.db2.gz ZUTPCMHMMBVHET-GDBMZVCRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114408930 848050252 /nfs/dbraw/zinc/05/02/52/848050252.db2.gz CZPLIHOBUZPJRA-CBBWQLFWSA-N 2 0 277.412 0.949 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409084 848050781 /nfs/dbraw/zinc/05/07/81/848050781.db2.gz GDRKYCUIZZGCIX-YJNKXOJESA-N 2 0 275.396 0.396 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463517 848074445 /nfs/dbraw/zinc/07/44/45/848074445.db2.gz IUBDXUCGQRUREV-RQJABVFESA-N 2 0 265.401 0.949 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001275210560 848668463 /nfs/dbraw/zinc/66/84/63/848668463.db2.gz ZOXYOPFCNCUCRH-BPCQOVAHSA-N 2 0 251.374 0.751 20 30 CCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001275416311 848715262 /nfs/dbraw/zinc/71/52/62/848715262.db2.gz UVDMQLAGPIWWHW-KGLIPLIRSA-N 2 0 295.427 0.603 20 30 CCEDRP C#CC[NH+](C)[C@H](C)CNC(=O)CC[N@@H+](C)CCC ZINC001275978054 848879510 /nfs/dbraw/zinc/87/95/10/848879510.db2.gz XUHXDFTUJOFXNN-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750335 849386048 /nfs/dbraw/zinc/38/60/48/849386048.db2.gz FWOXUAGMTYVPQY-FOLVSLTJSA-N 2 0 293.411 0.024 20 30 CCEDRP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040529909 850299551 /nfs/dbraw/zinc/29/95/51/850299551.db2.gz SJUOKULVTWFZDY-DOTOQJQBSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001044822691 851165666 /nfs/dbraw/zinc/16/56/66/851165666.db2.gz MJGGNTIUKONWGF-ZIAGYGMSSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001052713209 852645354 /nfs/dbraw/zinc/64/53/54/852645354.db2.gz SXBFBDCFJHEGTR-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054854251 853025494 /nfs/dbraw/zinc/02/54/94/853025494.db2.gz QXNDSEODQUNBHU-ZIAGYGMSSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054969889 853046127 /nfs/dbraw/zinc/04/61/27/853046127.db2.gz WJMKHTUNXRPLIZ-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP CC[C@H](CC#N)[NH2+]C[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001255157904 853130212 /nfs/dbraw/zinc/13/02/12/853130212.db2.gz YSEHCOBLTURMPR-FDYHWXHSSA-N 2 0 255.362 0.993 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050664013 853409240 /nfs/dbraw/zinc/40/92/40/853409240.db2.gz JUKULNUDMVPOLK-HUUCEWRRSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753785 853424076 /nfs/dbraw/zinc/42/40/76/853424076.db2.gz DESQRDJXEMRYBU-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073554645 854593194 /nfs/dbraw/zinc/59/31/94/854593194.db2.gz KOGLWIFENQXJOY-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856995 854655185 /nfs/dbraw/zinc/65/51/85/854655185.db2.gz WLSDXGJIDUBRHN-CQSZACIVSA-N 2 0 293.411 0.475 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001098445989 854868005 /nfs/dbraw/zinc/86/80/05/854868005.db2.gz ZTNNWZZGMVVXGU-APIJFGDWSA-N 2 0 291.395 0.062 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099160288 854918099 /nfs/dbraw/zinc/91/80/99/854918099.db2.gz NZASMGGGGKEILA-VYDXJSESSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132193 855103628 /nfs/dbraw/zinc/10/36/28/855103628.db2.gz POJNWSNNBGQTFD-UONOGXRCSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131996 855104745 /nfs/dbraw/zinc/10/47/45/855104745.db2.gz LWDUKDYPDPIWKJ-OLZOCXBDSA-N 2 0 269.389 0.064 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001100378360 855156655 /nfs/dbraw/zinc/15/66/55/855156655.db2.gz WSNHIZFLWUWJBB-RUXDESIVSA-N 2 0 283.391 0.784 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100407846 855161770 /nfs/dbraw/zinc/16/17/70/855161770.db2.gz LTNDLSBUTZZLSA-UXUKBGGZSA-N 2 0 265.401 0.997 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870886 855233456 /nfs/dbraw/zinc/23/34/56/855233456.db2.gz QGSAXUHDBPQKFT-UHFFFAOYSA-N 2 0 283.416 0.625 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001101037722 855257464 /nfs/dbraw/zinc/25/74/64/855257464.db2.gz UXXJONYIGIBQNU-UHFFFAOYSA-N 2 0 253.390 0.997 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111950821 855606997 /nfs/dbraw/zinc/60/69/97/855606997.db2.gz BXCNDKOUMUSZHG-HOCLYGCPSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081453 855639423 /nfs/dbraw/zinc/63/94/23/855639423.db2.gz RKEQQUKBYKIIML-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH2+]C)CC1 ZINC001325679714 913520022 /nfs/dbraw/zinc/52/00/22/913520022.db2.gz HZUOHMUCHAIAOU-GFCCVEGCSA-N 2 0 268.405 0.934 20 30 CCEDRP C=CCC[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481314943 892567521 /nfs/dbraw/zinc/56/75/21/892567521.db2.gz NQNCYGQWKAPGSM-AWEZNQCLSA-N 2 0 283.416 0.579 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001481810334 893176068 /nfs/dbraw/zinc/17/60/68/893176068.db2.gz FXCQXYKRESNASL-UONOGXRCSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482284315 893771057 /nfs/dbraw/zinc/77/10/57/893771057.db2.gz MUTLUGBWMGSLGS-KBPBESRZSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC#CC)CC1 ZINC001482369292 893922666 /nfs/dbraw/zinc/92/26/66/893922666.db2.gz WBAMXKZGKFTIKU-HNNXBMFYSA-N 2 0 289.423 0.791 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482881540 894668176 /nfs/dbraw/zinc/66/81/76/894668176.db2.gz LFRYRNLCJTYRGR-CYBMUJFWSA-N 2 0 291.399 0.176 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001482938898 894709961 /nfs/dbraw/zinc/70/99/61/894709961.db2.gz JJAYNJYOOOEOFL-UHFFFAOYSA-N 2 0 297.362 0.952 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506923367 894937340 /nfs/dbraw/zinc/93/73/40/894937340.db2.gz QRWXZRGZVVOFID-MGPQQGTHSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001483165260 895049743 /nfs/dbraw/zinc/04/97/43/895049743.db2.gz GTGTYHVAOWYFAV-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340102 895481554 /nfs/dbraw/zinc/48/15/54/895481554.db2.gz XEVNVOVZWDGIMX-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001483588620 895669901 /nfs/dbraw/zinc/66/99/01/895669901.db2.gz WLIRJWGTGANSNW-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001484483581 896422690 /nfs/dbraw/zinc/42/26/90/896422690.db2.gz SQCPHFPPKCOGFA-OAHLLOKOSA-N 2 0 295.427 0.315 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484483580 896423161 /nfs/dbraw/zinc/42/31/61/896423161.db2.gz SQCPHFPPKCOGFA-HNNXBMFYSA-N 2 0 295.427 0.315 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001484493002 896437871 /nfs/dbraw/zinc/43/78/71/896437871.db2.gz ARISMWCIANQPJA-AWEZNQCLSA-N 2 0 283.416 0.315 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCO1 ZINC001484679256 896537574 /nfs/dbraw/zinc/53/75/74/896537574.db2.gz AETXWYGZCSUICX-UONOGXRCSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001485092359 896773530 /nfs/dbraw/zinc/77/35/30/896773530.db2.gz OJXLELKGFFECBR-ZALBZXLWSA-N 2 0 277.412 0.999 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001485107198 896786048 /nfs/dbraw/zinc/78/60/48/896786048.db2.gz JFPAQTBTWMZQHG-BPCQOVAHSA-N 2 0 253.390 0.997 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001485621989 897155038 /nfs/dbraw/zinc/15/50/38/897155038.db2.gz BJOLFDCDGFLJCE-FPCVCCKLSA-N 2 0 289.423 0.646 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC)C1 ZINC001078412949 898373439 /nfs/dbraw/zinc/37/34/39/898373439.db2.gz LVBMEGGTXMNADW-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001327063863 914349745 /nfs/dbraw/zinc/34/97/45/914349745.db2.gz KAPQIEOLJDXKIN-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001280629293 899929475 /nfs/dbraw/zinc/92/94/75/899929475.db2.gz OEEUBMXKZZYQAG-OAHLLOKOSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001489271694 900461883 /nfs/dbraw/zinc/46/18/83/900461883.db2.gz LFHQRKJAWPXVSP-OLZOCXBDSA-N 2 0 263.385 0.683 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](C#N)CCC#N ZINC001326600552 901825156 /nfs/dbraw/zinc/82/51/56/901825156.db2.gz XZNBUIBCBSBTJN-UONOGXRCSA-N 2 0 263.389 0.655 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)[C@H](CC)[NH+](C)C)CCOCC1 ZINC001327657115 914683751 /nfs/dbraw/zinc/68/37/51/914683751.db2.gz WYNHPYONFNAMLA-ZDUSSCGKSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001281764465 904345129 /nfs/dbraw/zinc/34/51/29/904345129.db2.gz ZZAWCAOWCHOMLA-ZFWWWQNUSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001281768339 904347220 /nfs/dbraw/zinc/34/72/20/904347220.db2.gz LYMLYGQOLNYRLJ-KBPBESRZSA-N 2 0 283.416 0.768 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001282065722 904404335 /nfs/dbraw/zinc/40/43/35/904404335.db2.gz DQSWMQDQOMYASH-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001282066849 904404678 /nfs/dbraw/zinc/40/46/78/904404678.db2.gz SGEVKSGGNHHAKH-JXQTWKCFSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282066850 904404703 /nfs/dbraw/zinc/40/47/03/904404703.db2.gz SGEVKSGGNHHAKH-RUXDESIVSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001282241471 904440961 /nfs/dbraw/zinc/44/09/61/904440961.db2.gz LYEMYTVMPDKYGN-UONOGXRCSA-N 2 0 275.396 0.448 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001283030962 904674982 /nfs/dbraw/zinc/67/49/82/904674982.db2.gz BNJUTIMREPRLAH-KKUMJFAQSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283261247 904782354 /nfs/dbraw/zinc/78/23/54/904782354.db2.gz QUDQKSDKZJTKCI-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001283822958 905035266 /nfs/dbraw/zinc/03/52/66/905035266.db2.gz DVXUHCBPXWWIGX-OLZOCXBDSA-N 2 0 271.405 0.215 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001283926469 905087480 /nfs/dbraw/zinc/08/74/80/905087480.db2.gz IQBSMOFBRIDEKW-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317490515 908498417 /nfs/dbraw/zinc/49/84/17/908498417.db2.gz YDEKXPVVTVISFG-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC001311397521 908551451 /nfs/dbraw/zinc/55/14/51/908551451.db2.gz FGNBPIZPRXXPFN-CABCVRRESA-N 2 0 294.443 0.971 20 30 CCEDRP C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@@H]1C[NH3+] ZINC001341249856 908580075 /nfs/dbraw/zinc/58/00/75/908580075.db2.gz IWMXAYLGTWPXCL-TZMCWYRMSA-N 2 0 263.385 0.433 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317011643 908916614 /nfs/dbraw/zinc/91/66/14/908916614.db2.gz OUZJRITZGGJACA-ZIAGYGMSSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317180013 909033828 /nfs/dbraw/zinc/03/38/28/909033828.db2.gz ZRTMRTDQRNPOAS-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317344045 909150694 /nfs/dbraw/zinc/15/06/94/909150694.db2.gz OAUHCAWOJXVKLM-ZDUSSCGKSA-N 2 0 261.369 0.154 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317342363 909151693 /nfs/dbraw/zinc/15/16/93/909151693.db2.gz GLRHMLSRBMKDDE-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@@H](C)OC)CC1 ZINC001317471391 909250597 /nfs/dbraw/zinc/25/05/97/909250597.db2.gz IBDSVOKJUGVMML-CQSZACIVSA-N 2 0 295.427 0.415 20 30 CCEDRP C#C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC001338534104 921503828 /nfs/dbraw/zinc/50/38/28/921503828.db2.gz KHZICSHOWCGDAP-UONOGXRCSA-N 2 0 267.417 0.232 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001318603034 909831259 /nfs/dbraw/zinc/83/12/59/909831259.db2.gz NIJUSQWTVDATNU-KGLIPLIRSA-N 2 0 281.400 0.215 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001320242651 910551294 /nfs/dbraw/zinc/55/12/94/910551294.db2.gz OWHCIHSNOMKRGD-CABCVRRESA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320274627 910569520 /nfs/dbraw/zinc/56/95/20/910569520.db2.gz QMESKYMZWBDHGQ-UONOGXRCSA-N 2 0 283.416 0.361 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001321137550 911110679 /nfs/dbraw/zinc/11/06/79/911110679.db2.gz TXIMDGRYEHANDI-ARJAWSKDSA-N 2 0 261.369 0.510 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001323049805 912088017 /nfs/dbraw/zinc/08/80/17/912088017.db2.gz YWGGJOXLSMOOKJ-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328218284 915035252 /nfs/dbraw/zinc/03/52/52/915035252.db2.gz ZKUCHZVTQNEQDV-UHFFFAOYSA-N 2 0 293.411 0.049 20 30 CCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001328520898 915248649 /nfs/dbraw/zinc/24/86/49/915248649.db2.gz YIZMTRNFTCKMTK-ZDUSSCGKSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001328942624 915534886 /nfs/dbraw/zinc/53/48/86/915534886.db2.gz YOTKADWXYVZFEJ-JXQTWKCFSA-N 2 0 265.401 0.690 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001329514727 915977167 /nfs/dbraw/zinc/97/71/67/915977167.db2.gz GRALVUNDACTGCZ-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001401548013 916316149 /nfs/dbraw/zinc/31/61/49/916316149.db2.gz CVDBMVJCPKFNHT-LBPRGKRZSA-N 2 0 289.807 0.147 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049600 916382321 /nfs/dbraw/zinc/38/23/21/916382321.db2.gz VSRRGIVAKVOBHC-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP C[NH2+]C[C@@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331323166 917267895 /nfs/dbraw/zinc/26/78/95/917267895.db2.gz XLVFPLRRRDQPNX-JJMZSNKZSA-N 2 0 264.373 0.097 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001335353541 920140244 /nfs/dbraw/zinc/14/02/44/920140244.db2.gz SQAAXFOUZYAEAG-AWEZNQCLSA-N 2 0 280.416 0.268 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCC[NH3+] ZINC001336720442 920954977 /nfs/dbraw/zinc/95/49/77/920954977.db2.gz FRWGORILVOESNT-CQSZACIVSA-N 2 0 272.352 0.600 20 30 CCEDRP C[NH+](C)CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001336764514 920987433 /nfs/dbraw/zinc/98/74/33/920987433.db2.gz YZHOGHVSHMJQNR-CQSZACIVSA-N 2 0 283.416 0.989 20 30 CCEDRP C#CCC[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001336779092 921001884 /nfs/dbraw/zinc/00/18/84/921001884.db2.gz GAVFJRZMYVEFOC-MRXNPFEDSA-N 2 0 279.428 0.519 20 30 CCEDRP C#CCC[NH+]1CCC(NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001336779091 921002714 /nfs/dbraw/zinc/00/27/14/921002714.db2.gz GAVFJRZMYVEFOC-INIZCTEOSA-N 2 0 279.428 0.519 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C(C)C ZINC001340173470 921995400 /nfs/dbraw/zinc/99/54/00/921995400.db2.gz SGBNAELAPMZHSF-UONOGXRCSA-N 2 0 297.443 0.899 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC001341675310 922620627 /nfs/dbraw/zinc/62/06/27/922620627.db2.gz QUTXSLXOONWITP-RYUDHWBXSA-N 2 0 283.372 0.034 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342664153 923043680 /nfs/dbraw/zinc/04/36/80/923043680.db2.gz LBHHEKJIIBEUIZ-HBNTYKKESA-N 2 0 257.765 0.524 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH+](CC)CC1 ZINC001343451183 923321289 /nfs/dbraw/zinc/32/12/89/923321289.db2.gz AOSRRFCJCXJFFZ-AWEZNQCLSA-N 2 0 282.432 0.424 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001347430635 924444958 /nfs/dbraw/zinc/44/49/58/924444958.db2.gz ZFTDOPNZNCENGB-AWEZNQCLSA-N 2 0 269.389 0.019 20 30 CCEDRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001348860963 924831441 /nfs/dbraw/zinc/83/14/41/924831441.db2.gz SHMKVDZWPGSGAI-FRRDWIJNSA-N 2 0 266.389 0.806 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001354658980 926149523 /nfs/dbraw/zinc/14/95/23/926149523.db2.gz HCMCYVLYBQPHRH-CYBMUJFWSA-N 2 0 272.352 0.342 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001356473378 926389767 /nfs/dbraw/zinc/38/97/67/926389767.db2.gz SEQYAEJAGRUOCU-MNOVXSKESA-N 2 0 250.346 0.266 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001357471266 926540247 /nfs/dbraw/zinc/54/02/47/926540247.db2.gz CUTAZUHWARHWPZ-FRRDWIJNSA-N 2 0 251.374 0.880 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001374835714 930684559 /nfs/dbraw/zinc/68/45/59/930684559.db2.gz UJIXRBVOODBTNY-LLVKDONJSA-N 2 0 271.792 0.929 20 30 CCEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600727689 362046648 /nfs/dbraw/zinc/04/66/48/362046648.db2.gz QHEQMPFPGBESKM-AWEZNQCLSA-N 2 0 294.443 0.657 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600732616 362048715 /nfs/dbraw/zinc/04/87/15/362048715.db2.gz SPMHTKOXUFDWQS-GFCCVEGCSA-N 2 0 255.362 0.209 20 30 CCEDRP N#CCCN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000601334286 362231729 /nfs/dbraw/zinc/23/17/29/362231729.db2.gz ZSJCKOWXDOYLTR-UHFFFAOYSA-N 2 0 250.390 0.907 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374157118 260188549 /nfs/dbraw/zinc/18/85/49/260188549.db2.gz FCALKQJWYSILRA-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601972037 362444639 /nfs/dbraw/zinc/44/46/39/362444639.db2.gz BIXHVIUHGMJSBQ-WZRBSPASSA-N 2 0 250.346 0.266 20 30 CCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)C(C)C)c1C#N ZINC000089676112 349399843 /nfs/dbraw/zinc/39/98/43/349399843.db2.gz OJHFUOVXHJFWFN-UHFFFAOYSA-N 2 0 292.387 0.712 20 30 CCEDRP CC(C)[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000353949025 356320380 /nfs/dbraw/zinc/32/03/80/356320380.db2.gz ZBBFNFKOHJYZLE-UHFFFAOYSA-N 2 0 262.361 0.612 20 30 CCEDRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@@H+]1C ZINC000574749854 359039973 /nfs/dbraw/zinc/03/99/73/359039973.db2.gz CTQGXLZRQBDIPD-MGPQQGTHSA-N 2 0 268.405 0.265 20 30 CCEDRP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1CC[NH+](C)CC1 ZINC000591739751 359650865 /nfs/dbraw/zinc/65/08/65/359650865.db2.gz ZHLRUHCYXMBDLR-DZGCQCFKSA-N 2 0 282.432 0.513 20 30 CCEDRP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000592143765 359764371 /nfs/dbraw/zinc/76/43/71/359764371.db2.gz MSFPDZBNQVDOFG-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP CC1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]CC1 ZINC000594438483 360307580 /nfs/dbraw/zinc/30/75/80/360307580.db2.gz IZFRCGMVMLDBSQ-LBPRGKRZSA-N 2 0 266.389 0.904 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000594443704 360311543 /nfs/dbraw/zinc/31/15/43/360311543.db2.gz IDKQZVWOQFJWLP-OLZOCXBDSA-N 2 0 266.389 0.985 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594452674 360316701 /nfs/dbraw/zinc/31/67/01/360316701.db2.gz UIPWQCACZMENTJ-JGVFFNPUSA-N 2 0 266.267 0.403 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC000594454015 360317043 /nfs/dbraw/zinc/31/70/43/360317043.db2.gz RDKGTIQVWSLJRY-CYBMUJFWSA-N 2 0 266.389 0.904 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCOCC[NH2+]C)CCC[NH2+]1 ZINC000638574725 375151610 /nfs/dbraw/zinc/15/16/10/375151610.db2.gz GVWXCZTUWYAEGX-ZDUSSCGKSA-N 2 0 255.362 0.037 20 30 CCEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303893695 389081300 /nfs/dbraw/zinc/08/13/00/389081300.db2.gz SCHBTRPYVHMOLL-UHFFFAOYSA-N 2 0 281.448 0.861 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330512058 389236789 /nfs/dbraw/zinc/23/67/89/389236789.db2.gz KEPJLOUFPAOHNT-UHFFFAOYSA-N 2 0 282.388 0.476 20 30 CCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)Nc1ccc2c(c1)CCC2 ZINC000262752990 389294224 /nfs/dbraw/zinc/29/42/24/389294224.db2.gz CJEYEBAGNIBMOY-MRXNPFEDSA-N 2 0 299.422 0.902 20 30 CCEDRP CNC(NCc1ccccc1OCC[NH+](C)C)=[NH+]C ZINC000264136451 389308304 /nfs/dbraw/zinc/30/83/04/389308304.db2.gz ZUPVHGKFESCTCF-UHFFFAOYSA-N 2 0 264.373 0.922 20 30 CCEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333160 389984685 /nfs/dbraw/zinc/98/46/85/389984685.db2.gz FDCMFLNQZMPVHJ-OLZOCXBDSA-N 2 0 251.374 0.610 20 30 CCEDRP C#C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)C ZINC000491542775 390114713 /nfs/dbraw/zinc/11/47/13/390114713.db2.gz BXIIMSYJGWNKJG-CQSZACIVSA-N 2 0 282.432 0.779 20 30 CCEDRP CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000516283075 390481205 /nfs/dbraw/zinc/48/12/05/390481205.db2.gz QWJAQQSZAPLMII-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H](O)[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@@H]1[C@H](C)O ZINC000661764203 414672460 /nfs/dbraw/zinc/67/24/60/414672460.db2.gz AXJVEUQISIJSLM-QKPAOTATSA-N 2 0 280.412 0.680 20 30 CCEDRP C(#CC[N@@H+]1CCC2(COC2)C1)C[NH+]1CCC2(COC2)C1 ZINC000662071755 414689938 /nfs/dbraw/zinc/68/99/38/414689938.db2.gz BOLWYVFEGLWDRP-UHFFFAOYSA-N 2 0 276.380 0.434 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662683105 414740603 /nfs/dbraw/zinc/74/06/03/414740603.db2.gz VTGOFRXUAYXNOO-GXTWGEPZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[C@]1(C(=O)NCCCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662683757 414740741 /nfs/dbraw/zinc/74/07/41/414740741.db2.gz STMIFEYODMZVLI-MRXNPFEDSA-N 2 0 295.427 0.913 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662691400 414741665 /nfs/dbraw/zinc/74/16/65/414741665.db2.gz HYZZGZLGZAQNMW-GXTWGEPZSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721175 414746273 /nfs/dbraw/zinc/74/62/73/414746273.db2.gz KVBQQUVHXKWRHX-HIFRSBDPSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000491784139 262046372 /nfs/dbraw/zinc/04/63/72/262046372.db2.gz QHAXSLTVNFKKNA-STQMWFEESA-N 2 0 266.389 0.320 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290755459 263118456 /nfs/dbraw/zinc/11/84/56/263118456.db2.gz YTLJOUDUUUPNFT-LBPRGKRZSA-N 2 0 264.377 0.341 20 30 CCEDRP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC000356986142 266225561 /nfs/dbraw/zinc/22/55/61/266225561.db2.gz JFCLNYNYIUKSRK-CYBMUJFWSA-N 2 0 266.389 0.775 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357091725 266245645 /nfs/dbraw/zinc/24/56/45/266245645.db2.gz WLHZWJSMXALLKU-ZDUSSCGKSA-N 2 0 251.374 0.610 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000329792955 279295900 /nfs/dbraw/zinc/29/59/00/279295900.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 0 297.447 0.220 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261752377 328141068 /nfs/dbraw/zinc/14/10/68/328141068.db2.gz LZDLHDSTVDXAGH-YPMHNXCESA-N 2 0 290.415 0.568 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCSC)CC1 ZINC000178769119 329200173 /nfs/dbraw/zinc/20/01/73/329200173.db2.gz SAXGKFPXARKTSZ-GFCCVEGCSA-N 2 0 271.430 0.833 20 30 CCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000262303037 330005041 /nfs/dbraw/zinc/00/50/41/330005041.db2.gz QSOXTBAAVYDUIM-CYBMUJFWSA-N 2 0 284.310 0.758 20 30 CCEDRP [NH2+]=C(NCCN1CC=CCC1)NC[C@H]1CCCO1 ZINC000262356245 330007842 /nfs/dbraw/zinc/00/78/42/330007842.db2.gz JIPNZWXTBAGRTD-GFCCVEGCSA-N 2 0 252.362 0.332 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](COC)C1 ZINC000262430998 330010232 /nfs/dbraw/zinc/01/02/32/330010232.db2.gz DYYCJXWOUHRIKQ-STQMWFEESA-N 2 0 268.405 0.482 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCC2CC[NH+](C3CC3)CC2)CCO1 ZINC000262437406 330012907 /nfs/dbraw/zinc/01/29/07/330012907.db2.gz GRKRWKPFLSMMKG-LBPRGKRZSA-N 2 0 280.416 0.896 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262489292 330017040 /nfs/dbraw/zinc/01/70/40/330017040.db2.gz UIKNCOGIMNJJSR-ZIAGYGMSSA-N 2 0 282.432 1.000 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262505428 330018622 /nfs/dbraw/zinc/01/86/22/330018622.db2.gz ZTLNMUVWQIXOMD-QWHCGFSZSA-N 2 0 284.404 0.133 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262810506 330033315 /nfs/dbraw/zinc/03/33/15/330033315.db2.gz VBWLDSADUFSUBH-LLVKDONJSA-N 2 0 266.389 0.303 20 30 CCEDRP C#CCNC(NCC1([NH+]2CCCC2)CCOCC1)=[NH+]CC ZINC000262825271 330034488 /nfs/dbraw/zinc/03/44/88/330034488.db2.gz ZLXSRCUDHZDGHN-UHFFFAOYSA-N 2 0 292.427 0.820 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nn(C)cc1Cl ZINC000263184699 330047975 /nfs/dbraw/zinc/04/79/75/330047975.db2.gz URPCVMVWDAISMY-SNVBAGLBSA-N 2 0 298.822 0.962 20 30 CCEDRP C=CC[C@@H](CO)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423036883 330166640 /nfs/dbraw/zinc/16/66/40/330166640.db2.gz LWVZABLRPMIEFX-STQMWFEESA-N 2 0 284.400 0.834 20 30 CCEDRP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424074742 330220483 /nfs/dbraw/zinc/22/04/83/330220483.db2.gz HVCUHFUPXPHWOD-AAEUAGOBSA-N 2 0 254.378 0.887 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C[N@@H+]1C1CC1 ZINC000424137640 330275029 /nfs/dbraw/zinc/27/50/29/330275029.db2.gz BCJJHBOCRFKSBA-NTZNESFSSA-N 2 0 264.373 0.749 20 30 CCEDRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424139434 330278988 /nfs/dbraw/zinc/27/89/88/330278988.db2.gz VGVSTRXQLMJBPA-MGPQQGTHSA-N 2 0 296.415 0.623 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000424149227 330295785 /nfs/dbraw/zinc/29/57/85/330295785.db2.gz VYJRFEBHPIIWSV-MGPQQGTHSA-N 2 0 296.415 0.311 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424151237 330296970 /nfs/dbraw/zinc/29/69/70/330296970.db2.gz HIMDSUHOKGNNOJ-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000424151896 330297140 /nfs/dbraw/zinc/29/71/40/330297140.db2.gz IPIYGVOICACSJH-WCQYABFASA-N 2 0 287.367 0.857 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000424152644 330298249 /nfs/dbraw/zinc/29/82/49/330298249.db2.gz JSFCAYRDHAXFQM-KBPBESRZSA-N 2 0 278.400 0.998 20 30 CCEDRP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424156147 330303736 /nfs/dbraw/zinc/30/37/36/330303736.db2.gz NQTNIWQVMRTRGV-VXGBXAGGSA-N 2 0 254.378 0.854 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000424177846 330317741 /nfs/dbraw/zinc/31/77/41/330317741.db2.gz VCLJHNIYNGVZFA-UPJWGTAASA-N 2 0 264.373 0.560 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C2CC2)CC1 ZINC000490739130 332110149 /nfs/dbraw/zinc/11/01/49/332110149.db2.gz GTQMKVSPNRRSSQ-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN(C)CCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000491073414 332147175 /nfs/dbraw/zinc/14/71/75/332147175.db2.gz YWEWOWIPCVYYSO-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000491326910 332190897 /nfs/dbraw/zinc/19/08/97/332190897.db2.gz RIBPUOLGIBTHLZ-KGLIPLIRSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000491380671 332200720 /nfs/dbraw/zinc/20/07/20/332200720.db2.gz ANLTWWIMTQUFAC-RYUDHWBXSA-N 2 0 252.362 0.073 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000491464792 332216932 /nfs/dbraw/zinc/21/69/32/332216932.db2.gz TXEYBEQZAIEAJY-KGLIPLIRSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000491537970 332232956 /nfs/dbraw/zinc/23/29/56/332232956.db2.gz VORKGGKYJDNFTB-AWEZNQCLSA-N 2 0 282.432 0.969 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000491731672 332313405 /nfs/dbraw/zinc/31/34/05/332313405.db2.gz MOEFNDDMYPBFAG-GFCCVEGCSA-N 2 0 253.390 0.692 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000189390717 333191660 /nfs/dbraw/zinc/19/16/60/333191660.db2.gz TXTYZEZLHGIPMB-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP CC[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+](C)C ZINC000549106739 334185060 /nfs/dbraw/zinc/18/50/60/334185060.db2.gz CSXPQCUOIGSLNW-NSHDSACASA-N 2 0 252.362 0.431 20 30 CCEDRP C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C(C)(C)C[NH+](C)C ZINC000577171838 335314559 /nfs/dbraw/zinc/31/45/59/335314559.db2.gz DDVURHAYHILEHP-ZIAGYGMSSA-N 2 0 284.448 0.759 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000334905647 526588509 /nfs/dbraw/zinc/58/85/09/526588509.db2.gz DDJHBXAHDGIJPO-OKILXGFUSA-N 2 0 292.427 0.888 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)N1CC[NH+](C)CC1 ZINC000305805900 649879807 /nfs/dbraw/zinc/87/98/07/649879807.db2.gz GLZKUEYFALDVNG-NSHDSACASA-N 2 0 253.394 0.031 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000764505085 582052810 /nfs/dbraw/zinc/05/28/10/582052810.db2.gz GMDXZGUMNMUHHK-UHFFFAOYSA-N 2 0 282.432 0.200 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000968850527 612962856 /nfs/dbraw/zinc/96/28/56/612962856.db2.gz BVIQVQJHGDGJKN-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000981333602 613003510 /nfs/dbraw/zinc/00/35/10/613003510.db2.gz SADZZURKXAINCW-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895056353 613073899 /nfs/dbraw/zinc/07/38/99/613073899.db2.gz HXMYFRJJSJJDSB-UHFFFAOYSA-N 2 0 292.427 0.821 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861635031 613076178 /nfs/dbraw/zinc/07/61/78/613076178.db2.gz XNTNRZBOPTWXON-CYBMUJFWSA-N 2 0 278.400 0.525 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000916851057 613133772 /nfs/dbraw/zinc/13/37/72/613133772.db2.gz LLDHLYHTICJTPQ-CYBMUJFWSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000915152323 613134720 /nfs/dbraw/zinc/13/47/20/613134720.db2.gz BWWDFVPFXZWMTE-CYBMUJFWSA-N 2 0 280.416 0.723 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000982016798 613142663 /nfs/dbraw/zinc/14/26/63/613142663.db2.gz WDJKCAXGCIZXLW-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584013 613281578 /nfs/dbraw/zinc/28/15/78/613281578.db2.gz CBFDUIGBOXBZOS-HUUCEWRRSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977584794 613282377 /nfs/dbraw/zinc/28/23/77/613282377.db2.gz FVCYQWMJATUFIE-QWHCGFSZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCCO ZINC000849033942 613346336 /nfs/dbraw/zinc/34/63/36/613346336.db2.gz FWLCVDZABCMIMA-GFCCVEGCSA-N 2 0 254.378 0.523 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000970725922 613348739 /nfs/dbraw/zinc/34/87/39/613348739.db2.gz MGXGTDOOTLNDGJ-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000901227139 613364504 /nfs/dbraw/zinc/36/45/04/613364504.db2.gz BJTHKVJJFUSREA-QWHCGFSZSA-N 2 0 285.457 0.998 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000900217742 613364700 /nfs/dbraw/zinc/36/47/00/613364700.db2.gz AESHGULGTDYLHA-UHFFFAOYSA-N 2 0 283.416 0.723 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000907887606 613364848 /nfs/dbraw/zinc/36/48/48/613364848.db2.gz PUUAPKMWIAKEMA-UHFFFAOYSA-N 2 0 251.374 0.872 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019968 613366348 /nfs/dbraw/zinc/36/63/48/613366348.db2.gz XIXOYSRTRBBPPC-HUUCEWRRSA-N 3 0 296.459 0.302 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928085264 613366850 /nfs/dbraw/zinc/36/68/50/613366850.db2.gz HGFJOSDIQMREAC-OLZOCXBDSA-N 2 0 283.441 0.800 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000848025665 613366945 /nfs/dbraw/zinc/36/69/45/613366945.db2.gz ZAKZFRGQEJHQIZ-ZDUSSCGKSA-N 2 0 271.405 0.313 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000876750972 613388171 /nfs/dbraw/zinc/38/81/71/613388171.db2.gz KYAHIKYVCQUWJC-NWDGAFQWSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876730741 613388178 /nfs/dbraw/zinc/38/81/78/613388178.db2.gz KSUUGUVXJCGBOZ-GHMZBOCLSA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000876871207 613390374 /nfs/dbraw/zinc/39/03/74/613390374.db2.gz RNMKNVLXGHPFFS-NKWVEPMBSA-N 2 0 273.686 0.852 20 30 CCEDRP C=CC[C@@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000883437473 613399956 /nfs/dbraw/zinc/39/99/56/613399956.db2.gz STSSLZUWJTYTQW-CYBMUJFWSA-N 2 0 266.389 0.594 20 30 CCEDRP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970876218 613482710 /nfs/dbraw/zinc/48/27/10/613482710.db2.gz DFQNMECQIODMGU-CHWSQXEVSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959966389 613564314 /nfs/dbraw/zinc/56/43/14/613564314.db2.gz LSBLVCRBKBXHAI-ZSAUSMIDSA-N 2 0 277.412 0.949 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962593967 613564838 /nfs/dbraw/zinc/56/48/38/613564838.db2.gz VFMSXMMSDVPMCJ-IGQOVBAYSA-N 2 0 263.385 0.561 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000962758530 613637369 /nfs/dbraw/zinc/63/73/69/613637369.db2.gz WXAUPZUZYLTKRP-QXSJWSMHSA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000962587949 613637571 /nfs/dbraw/zinc/63/75/71/613637571.db2.gz LZXMGDAJIJDJND-IGQOVBAYSA-N 2 0 261.369 0.008 20 30 CCEDRP C=CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H](C)COC ZINC000923387870 613651469 /nfs/dbraw/zinc/65/14/69/613651469.db2.gz ZVQLOFPDXUKYOO-QWHCGFSZSA-N 2 0 254.374 0.888 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970360852 613668094 /nfs/dbraw/zinc/66/80/94/613668094.db2.gz ITRUUGRUALBMEI-LBPRGKRZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000891521210 613674833 /nfs/dbraw/zinc/67/48/33/613674833.db2.gz FDBHKSIVNFLQSG-RYUDHWBXSA-N 2 0 266.389 0.768 20 30 CCEDRP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208730 613692933 /nfs/dbraw/zinc/69/29/33/613692933.db2.gz BSFNEUMRBZXDMU-CABCVRRESA-N 2 0 293.411 0.570 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978149228 613835501 /nfs/dbraw/zinc/83/55/01/613835501.db2.gz VPIDTRHPRUPKDS-YHUYYLMFSA-N 2 0 289.423 0.808 20 30 CCEDRP C=CCNC(=O)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865116 613845367 /nfs/dbraw/zinc/84/53/67/613845367.db2.gz AJMKRFQQWDJPCR-AWEZNQCLSA-N 2 0 251.374 0.754 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000968702350 613865388 /nfs/dbraw/zinc/86/53/88/613865388.db2.gz FDNDAMMAHTWDOW-KGLIPLIRSA-N 2 0 263.385 0.705 20 30 CCEDRP CCNC(NC[C@H]1CCC[N@@H+]1CCCO)=[NH+]CC ZINC000849033855 614420617 /nfs/dbraw/zinc/42/06/17/614420617.db2.gz CFVMQACJPSRHLT-GFCCVEGCSA-N 2 0 256.394 0.408 20 30 CCEDRP CCC[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874279 614442803 /nfs/dbraw/zinc/44/28/03/614442803.db2.gz JRZJULUURSIKNX-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP CCCN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC000852795580 614497694 /nfs/dbraw/zinc/49/76/94/614497694.db2.gz IPQOXSKWFXOURX-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194411 614663513 /nfs/dbraw/zinc/66/35/13/614663513.db2.gz GPDNOVWGFCRENH-IJLUTSLNSA-N 2 0 250.346 0.089 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884176319 615132409 /nfs/dbraw/zinc/13/24/09/615132409.db2.gz CENYDMQELWYASJ-IOSBVQAASA-N 2 0 290.411 0.726 20 30 CCEDRP CCN1CC[NH+](CCCCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000848990066 615157041 /nfs/dbraw/zinc/15/70/41/615157041.db2.gz WWEUDDZJRSTSFV-CYBMUJFWSA-N 2 0 267.421 0.341 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1(C[NH3+])CCC1 ZINC000884299931 615799460 /nfs/dbraw/zinc/79/94/60/615799460.db2.gz JVRURANQMYPSMN-LXVYMNJGSA-N 2 0 276.384 0.466 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000913524666 615857850 /nfs/dbraw/zinc/85/78/50/615857850.db2.gz XHRHPSIQXMTGMM-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000932167871 615858798 /nfs/dbraw/zinc/85/87/98/615858798.db2.gz QJZYFOWFLYKHLX-UHFFFAOYSA-N 2 0 289.383 0.830 20 30 CCEDRP C[N@H+](CCOCC[NH3+])C[C@H](O)COc1ccccc1C#N ZINC000923403816 616115887 /nfs/dbraw/zinc/11/58/87/616115887.db2.gz RRSCWGLZYPRJHF-AWEZNQCLSA-N 2 0 293.367 0.205 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000870981005 616321855 /nfs/dbraw/zinc/32/18/55/616321855.db2.gz FDOLUKZCMPRSAC-RDBSUJKOSA-N 2 0 278.400 0.950 20 30 CCEDRP COCC[N@H+](C[C@H](O)CC#N)CC1CC[NH+](C)CC1 ZINC000931380978 616991204 /nfs/dbraw/zinc/99/12/04/616991204.db2.gz QEROCMCZPBIBMR-CQSZACIVSA-N 2 0 269.389 0.551 20 30 CCEDRP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841849711 617052420 /nfs/dbraw/zinc/05/24/20/617052420.db2.gz ICFKNARPTSZXTO-HBNTYKKESA-N 2 0 252.362 0.238 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]12 ZINC001026283750 625388902 /nfs/dbraw/zinc/38/89/02/625388902.db2.gz MEZADKGSHYNSEU-QLFBSQMISA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023275666 622977236 /nfs/dbraw/zinc/97/72/36/622977236.db2.gz QNGUJRZHEJRSEJ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001020396004 624465336 /nfs/dbraw/zinc/46/53/36/624465336.db2.gz AHFOAYIQKDGDKH-JOCQHMNTSA-N 2 0 268.320 0.818 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022069714 624870671 /nfs/dbraw/zinc/87/06/71/624870671.db2.gz NTRRBVBJJWNZGI-HZSPNIEDSA-N 2 0 263.385 0.729 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121219 624876300 /nfs/dbraw/zinc/87/63/00/624876300.db2.gz AMVCMXUCLYYNIJ-RFQIPJPRSA-N 2 0 279.384 0.272 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001027464287 625898091 /nfs/dbraw/zinc/89/80/91/625898091.db2.gz KTHLOTVGYUVNNK-RBSFLKMASA-N 2 0 293.411 0.262 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027806330 630935317 /nfs/dbraw/zinc/93/53/17/630935317.db2.gz GGCRBFKMWAGCRJ-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432090 632479183 /nfs/dbraw/zinc/47/91/83/632479183.db2.gz CRABLWORRXIFQY-MRXNPFEDSA-N 2 0 289.423 0.884 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305811760 632537486 /nfs/dbraw/zinc/53/74/86/632537486.db2.gz JRSDFWJUFOCWDK-UHFFFAOYSA-N 2 0 253.394 0.033 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCF)[C@H]2C)CC1 ZINC000987567340 632881259 /nfs/dbraw/zinc/88/12/59/632881259.db2.gz FDPIWVAPHQEPRH-HIFRSBDPSA-N 2 0 295.402 0.880 20 30 CCEDRP C=CC[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000989491304 633318004 /nfs/dbraw/zinc/31/80/04/633318004.db2.gz WNWVNLWFWODSSM-UHFFFAOYSA-N 2 0 263.385 0.803 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cnc2C)C1 ZINC000989727883 633349560 /nfs/dbraw/zinc/34/95/60/633349560.db2.gz WUDVVBJNVJNLTH-PWSUYJOCSA-N 2 0 260.341 0.473 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000989828662 633364670 /nfs/dbraw/zinc/36/46/70/633364670.db2.gz HCJBXKLECTXXBF-ZBFHGGJFSA-N 2 0 287.407 0.544 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009203482 650140194 /nfs/dbraw/zinc/14/01/94/650140194.db2.gz RKHYSTITVUEAMW-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170914726 637105228 /nfs/dbraw/zinc/10/52/28/637105228.db2.gz KKGAMTIPSXYOJS-GFCCVEGCSA-N 2 0 277.372 0.919 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910268 637105254 /nfs/dbraw/zinc/10/52/54/637105254.db2.gz UXNQMESYGIPGLY-LBPRGKRZSA-N 2 0 283.420 0.243 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996728351 638830496 /nfs/dbraw/zinc/83/04/96/638830496.db2.gz JBEBSBQWOQLKSP-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014507661 650457791 /nfs/dbraw/zinc/45/77/91/650457791.db2.gz KIGWLCAOLWITOQ-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001005927371 640027438 /nfs/dbraw/zinc/02/74/38/640027438.db2.gz ATENEQIXIVYNNH-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001015712945 650614559 /nfs/dbraw/zinc/61/45/59/650614559.db2.gz KKBBLUXQGQLWHI-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253050 650705761 /nfs/dbraw/zinc/70/57/61/650705761.db2.gz XBCLPMQIYQOAFJ-ZDUSSCGKSA-N 2 0 251.374 0.849 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000834485477 642578593 /nfs/dbraw/zinc/57/85/93/642578593.db2.gz XIXVTHGWRYLMLB-CABCVRRESA-N 2 0 284.363 0.216 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001017943964 650835760 /nfs/dbraw/zinc/83/57/60/650835760.db2.gz JGHLMKTWOJGAHD-WCVJEAGWSA-N 2 0 289.423 0.883 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852798372 644002839 /nfs/dbraw/zinc/00/28/39/644002839.db2.gz JHXWLCCLANMIIH-JSGCOSHPSA-N 2 0 263.385 0.575 20 30 CCEDRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858706 644027523 /nfs/dbraw/zinc/02/75/23/644027523.db2.gz GMDDOSZGNGVHPL-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C[C@@]1(CNC(=O)C#CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC000852875643 644037589 /nfs/dbraw/zinc/03/75/89/644037589.db2.gz LYGDAIXVLKGMJK-OAHLLOKOSA-N 2 0 263.385 0.495 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000852891406 644044853 /nfs/dbraw/zinc/04/48/53/644044853.db2.gz XPPULYBGHRFUFI-UHFFFAOYSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001019076025 650936008 /nfs/dbraw/zinc/93/60/08/650936008.db2.gz IBWUOGRKDCCGBL-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC)C2)CC1 ZINC001019812589 651007700 /nfs/dbraw/zinc/00/77/00/651007700.db2.gz WVKDHJPFXUNGSY-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000867963634 645688964 /nfs/dbraw/zinc/68/89/64/645688964.db2.gz HDGMRBKQAQAXCP-CZUORRHYSA-N 2 0 298.390 0.861 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[NH2+]CC1 ZINC000876505562 646614005 /nfs/dbraw/zinc/61/40/05/646614005.db2.gz IHSAVZYCFCKMNZ-HNNXBMFYSA-N 2 0 284.363 0.567 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]([NH3+])C1 ZINC000876517616 646617544 /nfs/dbraw/zinc/61/75/44/646617544.db2.gz WWNSJUGBPHEYEL-JSGCOSHPSA-N 2 0 270.336 0.305 20 30 CCEDRP [NH3+]Cc1ccc2c(c1)N(C(=O)C#CC1CC[NH2+]CC1)CCO2 ZINC000877120007 646738599 /nfs/dbraw/zinc/73/85/99/646738599.db2.gz DGUUTKKMWUNUTC-UHFFFAOYSA-N 2 0 299.374 0.874 20 30 CCEDRP [NH3+][C@H]1CCCCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877125472 646739178 /nfs/dbraw/zinc/73/91/78/646739178.db2.gz NBWBWQABPCSGDQ-AWEZNQCLSA-N 2 0 263.385 0.719 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C2 ZINC000884267492 647689002 /nfs/dbraw/zinc/68/90/02/647689002.db2.gz GXYNLJWVNKTLRW-NRYGQCTKSA-N 2 0 276.384 0.512 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@H]1CC[NH3+])C2 ZINC000884286334 647695686 /nfs/dbraw/zinc/69/56/86/647695686.db2.gz BRJBLJOPEKAGPU-IQXANGCESA-N 2 0 290.411 0.856 20 30 CCEDRP C[C@@H]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[NH2+]1 ZINC000884438241 647737933 /nfs/dbraw/zinc/73/79/33/647737933.db2.gz WRQPKFSULJDGIH-NCBWTUBMSA-N 2 0 276.384 0.382 20 30 CCEDRP CCNC(NC[C@@H]1C[N@H+](CC(C)C)CCO1)=[NH+]CC ZINC000195522027 649602180 /nfs/dbraw/zinc/60/21/80/649602180.db2.gz KHSHWRWRMKOIRH-CYBMUJFWSA-N 2 0 270.421 0.918 20 30 CCEDRP COCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303265992 649813656 /nfs/dbraw/zinc/81/36/56/649813656.db2.gz VLPQZEAGCJIELK-GFCCVEGCSA-N 2 0 256.394 0.659 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCCC(C)C)CC1 ZINC000303870735 649825991 /nfs/dbraw/zinc/82/59/91/649825991.db2.gz BJPNVLSHVPUACL-AWEZNQCLSA-N 2 0 283.464 0.963 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)OC ZINC000304745618 649838135 /nfs/dbraw/zinc/83/81/35/649838135.db2.gz FGXYKGVTOWDHRA-NSHDSACASA-N 2 0 256.394 0.800 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304745148 649838169 /nfs/dbraw/zinc/83/81/69/649838169.db2.gz FBHMOTOCYAAYQZ-CYBMUJFWSA-N 2 0 298.431 0.571 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304745150 649838247 /nfs/dbraw/zinc/83/82/47/649838247.db2.gz FBHMOTOCYAAYQZ-ZDUSSCGKSA-N 2 0 298.431 0.571 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001266292257 790433960 /nfs/dbraw/zinc/43/39/60/790433960.db2.gz AXQZOVPUTDPXHQ-UHFFFAOYSA-N 2 0 294.443 0.248 20 30 CCEDRP C#CC[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266326664 790511676 /nfs/dbraw/zinc/51/16/76/790511676.db2.gz GQOPZJORMJCJIY-OAHLLOKOSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266413021 790659409 /nfs/dbraw/zinc/65/94/09/790659409.db2.gz GYRSAZJOCCAXLR-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001266817270 791261911 /nfs/dbraw/zinc/26/19/11/791261911.db2.gz PUYAPLIQFSAFON-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266879427 791318236 /nfs/dbraw/zinc/31/82/36/791318236.db2.gz WGLSFCOJOGSZHB-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001267113218 791554235 /nfs/dbraw/zinc/55/42/35/791554235.db2.gz GTQSJPULRGJCNW-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267130066 791575080 /nfs/dbraw/zinc/57/50/80/791575080.db2.gz CFEIXJZABRTKAL-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267152602 791596237 /nfs/dbraw/zinc/59/62/37/791596237.db2.gz PLRXSSNCNDRVPU-ZDUSSCGKSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277915554 806342330 /nfs/dbraw/zinc/34/23/30/806342330.db2.gz AEGKTIGJUVKHBO-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CCN1CC[C@@]2(CCCN(C[C@H](C)[NH3+])C2)C1=O ZINC001235494997 806434719 /nfs/dbraw/zinc/43/47/19/806434719.db2.gz VCWNYFZGZOWDSU-GXTWGEPZSA-N 2 0 251.374 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001121293300 799027933 /nfs/dbraw/zinc/02/79/33/799027933.db2.gz ZFNTXTSOKZEKJW-HRCADAONSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCOCC1 ZINC001122168011 799159482 /nfs/dbraw/zinc/15/94/82/799159482.db2.gz YHYSHPNSNLCDOF-NSHDSACASA-N 2 0 255.362 0.294 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001122241706 799177140 /nfs/dbraw/zinc/17/71/40/799177140.db2.gz AOTHCTCJDQFEMN-GUBZILKMSA-N 2 0 292.305 0.746 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001122386893 799219925 /nfs/dbraw/zinc/21/99/25/799219925.db2.gz ONVAOVWJOXOBHW-AWEZNQCLSA-N 2 0 281.400 0.649 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC)[NH+](C)C ZINC001154000928 800701931 /nfs/dbraw/zinc/70/19/31/800701931.db2.gz MPVWAAKNVFSQIG-HUUCEWRRSA-N 2 0 297.443 0.803 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036296 801557779 /nfs/dbraw/zinc/55/77/79/801557779.db2.gz BOEXDFIBAIIDLU-LSDHHAIUSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202477 801591300 /nfs/dbraw/zinc/59/13/00/801591300.db2.gz XKAALRJNZJUUMV-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487415 801659218 /nfs/dbraw/zinc/65/92/18/801659218.db2.gz ZFWOWLLROAHDJX-KGLIPLIRSA-N 2 0 281.400 0.522 20 30 CCEDRP COc1nc(N[C@@H]([NH3+])CCC[NH3+])c(F)cc1C#N ZINC001159786834 801871181 /nfs/dbraw/zinc/87/11/81/801871181.db2.gz LELUTQNPUDQDGY-SECBINFHSA-N 2 0 253.281 0.537 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159846707 801879943 /nfs/dbraw/zinc/87/99/43/801879943.db2.gz RQCSEJARHBREKU-AWEZNQCLSA-N 2 0 265.401 0.693 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426778 801938979 /nfs/dbraw/zinc/93/89/79/801938979.db2.gz JNZIFTFCMMPDGJ-AWEZNQCLSA-N 2 0 283.416 0.318 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC[C@H]1C#N ZINC001160635491 801984873 /nfs/dbraw/zinc/98/48/73/801984873.db2.gz AJUGWFOSGPFUSY-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP N#C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160642999 801987198 /nfs/dbraw/zinc/98/71/98/801987198.db2.gz URQGLTSZVPEQMS-RYUDHWBXSA-N 2 0 252.362 0.595 20 30 CCEDRP CC[C@H](CC#N)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001255175572 808325613 /nfs/dbraw/zinc/32/56/13/808325613.db2.gz RFOODUCYFDLFJB-CYBMUJFWSA-N 2 0 266.389 0.775 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536284 802758475 /nfs/dbraw/zinc/75/84/75/802758475.db2.gz PIWWSEBBUNXXRX-AWEZNQCLSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205526175 803145241 /nfs/dbraw/zinc/14/52/41/803145241.db2.gz HXYZUURUUOTLQP-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1cccc2c(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c[nH]c21 ZINC001206520276 803258186 /nfs/dbraw/zinc/25/81/86/803258186.db2.gz SHUWLBSYUOFWMK-FZMZJTMJSA-N 2 0 270.336 0.791 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209305309 803591918 /nfs/dbraw/zinc/59/19/18/803591918.db2.gz YCBXXDYUZYMPBO-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210494864 803652378 /nfs/dbraw/zinc/65/23/78/803652378.db2.gz YIHPETRGZRBJGA-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP Cc1noc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1C#N ZINC001218503570 803969993 /nfs/dbraw/zinc/96/99/93/803969993.db2.gz OSAZPWQLNWONQY-LLVKDONJSA-N 2 0 289.339 0.667 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1nnccc1C#N ZINC001218702378 804088192 /nfs/dbraw/zinc/08/81/92/804088192.db2.gz SBBYRZGFELUEQQ-NSHDSACASA-N 2 0 276.344 0.346 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C#N)c1 ZINC001219393332 804295645 /nfs/dbraw/zinc/29/56/45/804295645.db2.gz KEMNJYASEKCMAA-GFCCVEGCSA-N 2 0 281.319 0.177 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219737023 804414246 /nfs/dbraw/zinc/41/42/46/804414246.db2.gz MXDPDNYWBNURIK-KBPBESRZSA-N 2 0 295.427 0.945 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219789331 804423664 /nfs/dbraw/zinc/42/36/64/804423664.db2.gz UWEIGFPBDJCAFW-DOMZBBRYSA-N 2 0 274.368 0.064 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cccc(C#N)c1 ZINC001220047997 804483498 /nfs/dbraw/zinc/48/34/98/804483498.db2.gz HYOLQLJEVLYUFS-GWCFXTLKSA-N 2 0 292.408 0.755 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220289761 804564572 /nfs/dbraw/zinc/56/45/72/804564572.db2.gz CORCMIAOWBIDOL-QLFBSQMISA-N 2 0 297.443 0.700 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369779 804583745 /nfs/dbraw/zinc/58/37/45/804583745.db2.gz QPIKBOXXTQMKHW-KGLIPLIRSA-N 2 0 295.427 0.149 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429293 804601557 /nfs/dbraw/zinc/60/15/57/804601557.db2.gz OTWJPFCNFHEADH-OLZOCXBDSA-N 2 0 269.389 0.555 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@H]([NH3+])CCC[NH3+])cc1F ZINC001220449518 804607052 /nfs/dbraw/zinc/60/70/52/804607052.db2.gz YCTPEIMSBAJJSF-GFCCVEGCSA-N 2 0 264.304 0.380 20 30 CCEDRP C=C1CC=C(F)C=C1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220797449 804669065 /nfs/dbraw/zinc/66/90/65/804669065.db2.gz PYESTQAAMDVSIL-CYBMUJFWSA-N 2 0 294.374 0.550 20 30 CCEDRP C=C1CC=C(F)C=C1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220797450 804669136 /nfs/dbraw/zinc/66/91/36/804669136.db2.gz PYESTQAAMDVSIL-ZDUSSCGKSA-N 2 0 294.374 0.550 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277020181 805107903 /nfs/dbraw/zinc/10/79/03/805107903.db2.gz MQNXTEFMFUSOPV-GFCCVEGCSA-N 2 0 251.374 0.895 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365942 805440692 /nfs/dbraw/zinc/44/06/92/805440692.db2.gz JZXCTVWHLQTXHC-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228894872 805487756 /nfs/dbraw/zinc/48/77/56/805487756.db2.gz DKLHNQKABRJVLY-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246017984 807117357 /nfs/dbraw/zinc/11/73/57/807117357.db2.gz DXGKYNYJSYYABD-DZGCQCFKSA-N 2 0 283.416 0.633 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])NC2CC[NH2+]CC2)cc1 ZINC001246305959 807216985 /nfs/dbraw/zinc/21/69/85/807216985.db2.gz QWVYGTSPJSHHNH-UHFFFAOYSA-N 2 0 261.325 0.931 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246312437 807218710 /nfs/dbraw/zinc/21/87/10/807218710.db2.gz OTUFUXALZAXDJS-RDBSUJKOSA-N 2 0 283.416 0.943 20 30 CCEDRP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246320031 807221478 /nfs/dbraw/zinc/22/14/78/807221478.db2.gz XIMDAUDZYGXQKK-LLVKDONJSA-N 2 0 281.381 0.547 20 30 CCEDRP N#Cc1ccc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)nc1 ZINC001247850206 807496171 /nfs/dbraw/zinc/49/61/71/807496171.db2.gz IMQZMKJXAHTXGS-UHFFFAOYSA-N 2 0 282.307 0.064 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001251894216 807738661 /nfs/dbraw/zinc/73/86/61/807738661.db2.gz QNPSDYFVWOJFLJ-MRXNPFEDSA-N 2 0 280.412 0.994 20 30 CCEDRP C=C[C@](C)(O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252560309 807910826 /nfs/dbraw/zinc/91/08/26/807910826.db2.gz QXVDYUYNOKZVGP-AWEZNQCLSA-N 2 0 269.389 0.019 20 30 CCEDRP C=C[C@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001253588157 808092363 /nfs/dbraw/zinc/09/23/63/808092363.db2.gz SZODPZPFQAEFFI-HNNXBMFYSA-N 2 0 267.417 0.493 20 30 CCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278737972 808126959 /nfs/dbraw/zinc/12/69/59/808126959.db2.gz XJRBBMXOKKSJBW-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278787884 808244639 /nfs/dbraw/zinc/24/46/39/808244639.db2.gz XJYMNMCUALZLAQ-HNNXBMFYSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001278786443 808245096 /nfs/dbraw/zinc/24/50/96/808245096.db2.gz CQPZKYUFWAIWRQ-ZBFHGGJFSA-N 2 0 293.411 0.047 20 30 CCEDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC001254667543 808271402 /nfs/dbraw/zinc/27/14/02/808271402.db2.gz BKWITBUKZXMHCQ-KBPBESRZSA-N 2 0 250.390 0.858 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278803925 808274613 /nfs/dbraw/zinc/27/46/13/808274613.db2.gz JJPOHJXXQZJEAP-UONOGXRCSA-N 2 0 283.416 0.313 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001278815498 808281204 /nfs/dbraw/zinc/28/12/04/808281204.db2.gz FNGITXLCCMBOHY-GOEBONIOSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278827438 808298216 /nfs/dbraw/zinc/29/82/16/808298216.db2.gz NKRBLCDPGKTYEM-ZIAGYGMSSA-N 2 0 283.416 0.313 20 30 CCEDRP CN(C)Cc1cc(C(=O)NCC#CC[NH+](C)C)no1 ZINC001262185532 809231250 /nfs/dbraw/zinc/23/12/50/809231250.db2.gz RVTAXWUXRBUPRD-UHFFFAOYSA-N 2 0 264.329 0.031 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC001263153477 809461662 /nfs/dbraw/zinc/46/16/62/809461662.db2.gz NSUWZUWOPLAQKJ-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001263875292 809596038 /nfs/dbraw/zinc/59/60/38/809596038.db2.gz NCUNVYIUZSCEGG-AVGNSLFASA-N 2 0 274.368 0.706 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001263995746 809619394 /nfs/dbraw/zinc/61/93/94/809619394.db2.gz KLMNEHYBXINOBJ-FRRDWIJNSA-N 2 0 251.374 0.561 20 30 CCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264077091 809628833 /nfs/dbraw/zinc/62/88/33/809628833.db2.gz SPIOWFWFQZCELE-HUUCEWRRSA-N 2 0 295.427 0.245 20 30 CCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001264111262 809630715 /nfs/dbraw/zinc/63/07/15/809630715.db2.gz DEMIIKGHQILTBM-UHFFFAOYSA-N 2 0 293.411 0.122 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1OCC ZINC001264533364 809662012 /nfs/dbraw/zinc/66/20/12/809662012.db2.gz DDLAWEGBAZELBV-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265454179 809783215 /nfs/dbraw/zinc/78/32/15/809783215.db2.gz HMTNZLDMAAVBTE-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001265851876 809876621 /nfs/dbraw/zinc/87/66/21/809876621.db2.gz TUYHPZBWASVHGG-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001279280763 809973842 /nfs/dbraw/zinc/97/38/42/809973842.db2.gz PTJKVKKFGJZIIA-UHFFFAOYSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001279396052 809977623 /nfs/dbraw/zinc/97/76/23/809977623.db2.gz RHUGZWWCJHNCNM-GASCZTMLSA-N 2 0 291.439 0.988 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001279635937 809989883 /nfs/dbraw/zinc/98/98/83/809989883.db2.gz FHKQAZOHKOOJEG-AWEZNQCLSA-N 2 0 275.396 0.710 20 30 CCEDRP C#CCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001279629252 809990428 /nfs/dbraw/zinc/99/04/28/809990428.db2.gz VXCUBTRBJMVSNV-UHFFFAOYSA-N 2 0 263.385 0.710 20 30 CCEDRP C[NH+](C)CC1(O)CCN(Cc2cncc(C#N)c2)CC1 ZINC000721567483 811210092 /nfs/dbraw/zinc/21/00/92/811210092.db2.gz YDPGCJAEMLBRMS-UHFFFAOYSA-N 2 0 274.368 0.842 20 30 CCEDRP C=C(C)CC[NH2+]CCN(C)C(=O)Cn1ccnc1 ZINC001267477963 811361865 /nfs/dbraw/zinc/36/18/65/811361865.db2.gz GXULDOWSDUQCHG-UHFFFAOYSA-N 2 0 250.346 0.897 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267639009 811600811 /nfs/dbraw/zinc/60/08/11/811600811.db2.gz WPKSGPGIBHXRNS-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218981122 811625056 /nfs/dbraw/zinc/62/50/56/811625056.db2.gz OAFRRYXBLLFIFN-JTQLQIEISA-N 2 0 261.329 0.605 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768710 811765179 /nfs/dbraw/zinc/76/51/79/811765179.db2.gz RPFVXIRONZJUEE-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268026134 811998517 /nfs/dbraw/zinc/99/85/17/811998517.db2.gz HOUOJCBBWPFLMQ-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCN1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268027145 812006473 /nfs/dbraw/zinc/00/64/73/812006473.db2.gz ZNLCAFOBTZTQRJ-KBPBESRZSA-N 2 0 283.416 0.576 20 30 CCEDRP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268028639 812015759 /nfs/dbraw/zinc/01/57/59/812015759.db2.gz KSLMYMFORHUMKC-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001268211221 812366416 /nfs/dbraw/zinc/36/64/16/812366416.db2.gz DFKONWKJVCBJLU-CYBMUJFWSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028549994 812830479 /nfs/dbraw/zinc/83/04/79/812830479.db2.gz DSEUPZHPTPHVPC-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268661045 812988028 /nfs/dbraw/zinc/98/80/28/812988028.db2.gz GYIOZYUENACIBF-ZIAGYGMSSA-N 2 0 283.416 0.317 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001269425384 813366868 /nfs/dbraw/zinc/36/68/68/813366868.db2.gz QEMNDDAZHVRDSH-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001270304093 813716031 /nfs/dbraw/zinc/71/60/31/813716031.db2.gz OBGYASRBQAFKCG-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001270602765 813833242 /nfs/dbraw/zinc/83/32/42/813833242.db2.gz HWDUIEIYYZCCNT-CQSZACIVSA-N 2 0 265.401 0.838 20 30 CCEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001270659284 813878129 /nfs/dbraw/zinc/87/81/29/813878129.db2.gz SDZAKDQNNLHEMV-AWEZNQCLSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001270789404 813928707 /nfs/dbraw/zinc/92/87/07/813928707.db2.gz UWWHPLXJWAWUHJ-INIZCTEOSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271066845 814136038 /nfs/dbraw/zinc/13/60/38/814136038.db2.gz AUSMGHDRTFYAEF-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171765 814440619 /nfs/dbraw/zinc/44/06/19/814440619.db2.gz FYJUFMOCOYYOOK-CABCVRRESA-N 2 0 287.407 0.496 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001272584376 816672478 /nfs/dbraw/zinc/67/24/78/816672478.db2.gz MXHOYBVJJJGEIP-HUUCEWRRSA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031674778 817237133 /nfs/dbraw/zinc/23/71/33/817237133.db2.gz PDYAGLUGTUVRQE-HNNXBMFYSA-N 2 0 277.412 0.952 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947157 817484208 /nfs/dbraw/zinc/48/42/08/817484208.db2.gz ABFBHNUVFLUZJA-UHFFFAOYSA-N 2 0 251.374 0.562 20 30 CCEDRP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077678983 817983933 /nfs/dbraw/zinc/98/39/33/817983933.db2.gz DJDCONJUZWXVBE-BFHYXJOUSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583638 818846356 /nfs/dbraw/zinc/84/63/56/818846356.db2.gz WZWUJHAUJHHSFB-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035710221 819613583 /nfs/dbraw/zinc/61/35/83/819613583.db2.gz KWNCVKCCPKEVQW-HUUCEWRRSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035794211 819625698 /nfs/dbraw/zinc/62/56/98/819625698.db2.gz ANCCXZIBWMYFNM-GJZGRUSLSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080779606 820637628 /nfs/dbraw/zinc/63/76/28/820637628.db2.gz UNJZVEGXYDEAFD-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368559 820948822 /nfs/dbraw/zinc/94/88/22/820948822.db2.gz GYJHOIUACHVCLF-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP CC[C@@H](C(=O)NCCC[NH2+]CC#CCOC)[NH+](CC)CC ZINC001166439034 821098815 /nfs/dbraw/zinc/09/88/15/821098815.db2.gz AAFUKTFRRYIYHM-HNNXBMFYSA-N 2 0 297.443 0.853 20 30 CCEDRP C#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830577 821404304 /nfs/dbraw/zinc/40/43/04/821404304.db2.gz ZKNXTJYBFCFTRK-HZSPNIEDSA-N 2 0 261.369 0.104 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086364365 822227519 /nfs/dbraw/zinc/22/75/19/822227519.db2.gz AXMVIOLUIJOUJW-RBSFLKMASA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130172101 837716120 /nfs/dbraw/zinc/71/61/20/837716120.db2.gz XWHBFPHGUAHSGM-UHFFFAOYSA-N 2 0 263.385 0.592 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001130266397 837746345 /nfs/dbraw/zinc/74/63/45/837746345.db2.gz WTZAUJIOHFVYEW-UHFFFAOYSA-N 2 0 286.335 0.532 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362677 836523095 /nfs/dbraw/zinc/52/30/95/836523095.db2.gz BPXZMOOLJNLIJV-HNNXBMFYSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC(NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+])=[NH+]COC ZINC001170273159 837280681 /nfs/dbraw/zinc/28/06/81/837280681.db2.gz NOTMKRGLURMPKP-WZRBSPASSA-N 2 0 271.361 0.489 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426042 838393276 /nfs/dbraw/zinc/39/32/76/838393276.db2.gz RDMYUQPIADBPMN-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132738458 838480465 /nfs/dbraw/zinc/48/04/65/838480465.db2.gz DPDWNWDHEDNTGO-AWEZNQCLSA-N 2 0 265.401 0.838 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865532 838755245 /nfs/dbraw/zinc/75/52/45/838755245.db2.gz FCPKJNSLEHHSPM-GXSJLCMTSA-N 2 0 259.781 0.642 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133922128 838780950 /nfs/dbraw/zinc/78/09/50/838780950.db2.gz QZRVTVNKZRTHPM-UHFFFAOYSA-N 2 0 287.407 0.890 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103259 839162553 /nfs/dbraw/zinc/16/25/53/839162553.db2.gz ZEBZWAWWTRMHFD-KBPBESRZSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297371 839201186 /nfs/dbraw/zinc/20/11/86/839201186.db2.gz ALLKZVWPCAAXQA-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185504441 844426346 /nfs/dbraw/zinc/42/63/46/844426346.db2.gz VVLADAHYNPNVJA-CABCVRRESA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001185504442 844426508 /nfs/dbraw/zinc/42/65/08/844426508.db2.gz VVLADAHYNPNVJA-GJZGRUSLSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001185610519 844438047 /nfs/dbraw/zinc/43/80/47/844438047.db2.gz ZGMVTNSUCMLKJD-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP CCc1nnc(N[C@@H]([NH3+])CCC[NH3+])c(C#N)c1CC ZINC001170896578 839540537 /nfs/dbraw/zinc/54/05/37/839540537.db2.gz HRRUORUZRGLCGF-GFCCVEGCSA-N 2 0 262.361 0.909 20 30 CCEDRP C=CCOc1ccc(N[C@H]([NH3+])CCC[NH3+])nc1C#N ZINC001170895871 839540773 /nfs/dbraw/zinc/54/07/73/839540773.db2.gz ACGKYWOHSRQMSQ-LBPRGKRZSA-N 2 0 261.329 0.954 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326628 840180965 /nfs/dbraw/zinc/18/09/65/840180965.db2.gz YMJGBPIHWVKTQQ-UHFFFAOYSA-N 2 0 261.369 0.200 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146572315 840325830 /nfs/dbraw/zinc/32/58/30/840325830.db2.gz VVKIOPITVLVMCH-GJZGRUSLSA-N 2 0 289.423 0.838 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272298 841004621 /nfs/dbraw/zinc/00/46/21/841004621.db2.gz DBJWLLPFJDNVEW-INMHGKMJSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092735050 841063109 /nfs/dbraw/zinc/06/31/09/841063109.db2.gz NWNWROXVPVZSAG-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349053 842141016 /nfs/dbraw/zinc/14/10/16/842141016.db2.gz FWNCVJNDKOXUJD-UHFFFAOYSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176166609 842333639 /nfs/dbraw/zinc/33/36/39/842333639.db2.gz SUBXMXZIVUZQGK-CQSZACIVSA-N 2 0 283.416 0.462 20 30 CCEDRP CO/N=C(\C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1ccco1 ZINC001177353404 842563243 /nfs/dbraw/zinc/56/32/43/842563243.db2.gz LQZSCEOMVSNKAF-YBEGLDIGSA-N 2 0 281.316 0.091 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181652145 843567138 /nfs/dbraw/zinc/56/71/38/843567138.db2.gz JYLMZRHVBKLPGK-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001183085796 843962031 /nfs/dbraw/zinc/96/20/31/843962031.db2.gz JRYAGLJBVZSFFF-UHFFFAOYSA-N 2 0 294.443 0.392 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268788 843997426 /nfs/dbraw/zinc/99/74/26/843997426.db2.gz XJCBUAPQISPNEQ-HUUCEWRRSA-N 2 0 293.411 0.167 20 30 CCEDRP C#Cc1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001188739781 844964704 /nfs/dbraw/zinc/96/47/04/844964704.db2.gz OXEFMIVKLBUJGN-UHFFFAOYSA-N 2 0 258.325 0.742 20 30 CCEDRP N#Cc1cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1F ZINC001190555043 845426848 /nfs/dbraw/zinc/42/68/48/845426848.db2.gz QJBVTSKDZKIWTH-UHFFFAOYSA-N 2 0 277.303 0.772 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192144189 845798329 /nfs/dbraw/zinc/79/83/29/845798329.db2.gz RYMJKYCWLVXKHX-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832053 846969554 /nfs/dbraw/zinc/96/95/54/846969554.db2.gz IDCANGLWLJGQFZ-UHFFFAOYSA-N 2 0 281.400 0.122 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(C#N)[nH]1 ZINC001199684153 847400320 /nfs/dbraw/zinc/40/03/20/847400320.db2.gz RSTGLHNHFUATAL-UHFFFAOYSA-N 2 0 276.344 0.564 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688383 847676184 /nfs/dbraw/zinc/67/61/84/847676184.db2.gz OJUUGSCCTBXNOF-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200738143 847686735 /nfs/dbraw/zinc/68/67/35/847686735.db2.gz UOZKBWDDPSIPEE-GJZGRUSLSA-N 2 0 297.443 0.966 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001273895022 847783870 /nfs/dbraw/zinc/78/38/70/847783870.db2.gz ZUOJJJDHCZRPEF-HOCLYGCPSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201494311 847784891 /nfs/dbraw/zinc/78/48/91/847784891.db2.gz QTBRFSVLVMIXKZ-CQSZACIVSA-N 2 0 292.383 0.735 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001252454336 847972299 /nfs/dbraw/zinc/97/22/99/847972299.db2.gz PEDIALXOXUWOJF-MRXNPFEDSA-N 2 0 299.459 0.509 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114358384 848026314 /nfs/dbraw/zinc/02/63/14/848026314.db2.gz UYDUGWDXUZBODM-RFQIPJPRSA-N 2 0 281.375 0.346 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741548 849383641 /nfs/dbraw/zinc/38/36/41/849383641.db2.gz RGCITUBIGXEVDI-WDNDVIMCSA-N 2 0 277.412 0.951 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114851318 849439707 /nfs/dbraw/zinc/43/97/07/849439707.db2.gz CCOWGMBAPCQSTQ-RFQIPJPRSA-N 2 0 263.385 0.396 20 30 CCEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038628590 849722831 /nfs/dbraw/zinc/72/28/31/849722831.db2.gz RMRPPWZZZOODCI-HUUCEWRRSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001045544314 851277416 /nfs/dbraw/zinc/27/74/16/851277416.db2.gz CPCZSFMGSAVOGM-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048859989 852088085 /nfs/dbraw/zinc/08/80/85/852088085.db2.gz BUCAJCDPTNJKNV-OKILXGFUSA-N 2 0 275.396 0.494 20 30 CCEDRP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048891627 852099710 /nfs/dbraw/zinc/09/97/10/852099710.db2.gz SKPBXJNCAIWMSV-HZSPNIEDSA-N 2 0 265.401 0.903 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001097852013 852631400 /nfs/dbraw/zinc/63/14/00/852631400.db2.gz QOQLCQYXJYWCHN-TUVASFSCSA-N 2 0 275.396 0.683 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054735847 853004560 /nfs/dbraw/zinc/00/45/60/853004560.db2.gz KNOURJHPQRZBKS-CHWSQXEVSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994293 854331681 /nfs/dbraw/zinc/33/16/81/854331681.db2.gz DVIMTPRPGHERRF-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813619 854469845 /nfs/dbraw/zinc/46/98/45/854469845.db2.gz YWISKQGZBWFAEL-CQSZACIVSA-N 2 0 275.396 0.494 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129212 854536673 /nfs/dbraw/zinc/53/66/73/854536673.db2.gz MJUJMOPABRGOKA-UHFFFAOYSA-N 2 0 287.407 0.640 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073128302 854536763 /nfs/dbraw/zinc/53/67/63/854536763.db2.gz YZOLKKSEVGGGGS-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099528740 854935609 /nfs/dbraw/zinc/93/56/09/854935609.db2.gz IUVGAHPGFXCASS-FZKCQIBNSA-N 2 0 289.423 0.740 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899697 855023974 /nfs/dbraw/zinc/02/39/74/855023974.db2.gz XBSGJYPCMNNMDZ-KBPBESRZSA-N 2 0 295.427 0.291 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041394 855080643 /nfs/dbraw/zinc/08/06/43/855080643.db2.gz IUZWFGXHKFICSD-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100085799 855097844 /nfs/dbraw/zinc/09/78/44/855097844.db2.gz QYDSNULDNVORBJ-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407614 855161783 /nfs/dbraw/zinc/16/17/83/855161783.db2.gz CFJYUQRYTCCCNH-ZALBZXLWSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803824 855227236 /nfs/dbraw/zinc/22/72/36/855227236.db2.gz FBGSGJLWRPMNKP-UHFFFAOYSA-N 2 0 293.411 0.215 20 30 CCEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001101009548 855254307 /nfs/dbraw/zinc/25/43/07/855254307.db2.gz VKOVVKJHUJYHKD-NRXISQOPSA-N 2 0 295.427 0.768 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992075 855633430 /nfs/dbraw/zinc/63/34/30/855633430.db2.gz ODAUJWZSMMJTSM-IMRBUKKESA-N 2 0 251.374 0.561 20 30 CCEDRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001118060426 856149948 /nfs/dbraw/zinc/14/99/48/856149948.db2.gz BJHADERBUVBAJL-CQSZACIVSA-N 2 0 295.431 0.103 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH2+]C)CC1 ZINC001325679715 913520469 /nfs/dbraw/zinc/52/04/69/913520469.db2.gz HZUOHMUCHAIAOU-LBPRGKRZSA-N 2 0 268.405 0.934 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001480996293 892031032 /nfs/dbraw/zinc/03/10/32/892031032.db2.gz RYMWNVSLCKCSKA-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001481122998 892196676 /nfs/dbraw/zinc/19/66/76/892196676.db2.gz GBSLLBLIWBMQBS-CQSZACIVSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481123422 892198767 /nfs/dbraw/zinc/19/87/67/892198767.db2.gz IEIBEFFDHBFOMV-LSDHHAIUSA-N 2 0 293.411 0.026 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001341752631 892592025 /nfs/dbraw/zinc/59/20/25/892592025.db2.gz NKLFCIFJDURIMG-JSGCOSHPSA-N 2 0 251.374 0.882 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481498145 892748283 /nfs/dbraw/zinc/74/82/83/892748283.db2.gz ODCWXIRPFVEVOV-HUUCEWRRSA-N 2 0 279.428 0.986 20 30 CCEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482168427 893455515 /nfs/dbraw/zinc/45/55/15/893455515.db2.gz NIBGYFHWQMNNMX-OLZOCXBDSA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001482773825 894592330 /nfs/dbraw/zinc/59/23/30/894592330.db2.gz FUBVGFYDMBHZPL-GJZGRUSLSA-N 2 0 297.443 0.892 20 30 CCEDRP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482899862 894671221 /nfs/dbraw/zinc/67/12/21/894671221.db2.gz XMWZFBGIWYPHNQ-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001483175976 895058634 /nfs/dbraw/zinc/05/86/34/895058634.db2.gz YFXQKPWZXKJQNT-CHWSQXEVSA-N 2 0 292.383 0.332 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483340100 895480101 /nfs/dbraw/zinc/48/01/01/895480101.db2.gz XEVNVOVZWDGIMX-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483598990 895672758 /nfs/dbraw/zinc/67/27/58/895672758.db2.gz PAMJHKBTVLRDFS-ZFWWWQNUSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001484311500 896333908 /nfs/dbraw/zinc/33/39/08/896333908.db2.gz AQNYTBPRQKZBST-CQSZACIVSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001484573671 896473085 /nfs/dbraw/zinc/47/30/85/896473085.db2.gz VHRRCCCTGHUSKL-RBSFLKMASA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001484692047 896537046 /nfs/dbraw/zinc/53/70/46/896537046.db2.gz BULXWSUZCVOKGO-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484856665 896637502 /nfs/dbraw/zinc/63/75/02/896637502.db2.gz OPZAODHFZATHDV-MRXNPFEDSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001485645756 897163760 /nfs/dbraw/zinc/16/37/60/897163760.db2.gz WCUMKQWLCPXNEP-KGLIPLIRSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001485705770 897188088 /nfs/dbraw/zinc/18/80/88/897188088.db2.gz XWIACRUXBTYMGG-KBUPBQIOSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001485695143 897194157 /nfs/dbraw/zinc/19/41/57/897194157.db2.gz CDHWPJOMVFZEDW-IHRRRGAJSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001485701020 897195848 /nfs/dbraw/zinc/19/58/48/897195848.db2.gz WLEDDAXQAPWSSH-HDJSIYSDSA-N 2 0 293.411 0.215 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001486065409 898633169 /nfs/dbraw/zinc/63/31/69/898633169.db2.gz GPPZBHBXCUXGFV-CABCVRRESA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486347267 898824767 /nfs/dbraw/zinc/82/47/67/898824767.db2.gz NNXJNYKAFIZDFK-CABCVRRESA-N 2 0 297.443 0.798 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486388979 898851823 /nfs/dbraw/zinc/85/18/23/898851823.db2.gz HBYPGFLUZCDJBX-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001490569871 900666458 /nfs/dbraw/zinc/66/64/58/900666458.db2.gz LGGJEGHCTWILKO-STQMWFEESA-N 2 0 253.390 0.949 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001490560795 900669226 /nfs/dbraw/zinc/66/92/26/900669226.db2.gz UIIYCLMHYBIFQB-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001492866341 914477836 /nfs/dbraw/zinc/47/78/36/914477836.db2.gz GXBJGFPBVBMYSJ-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001320226662 900918993 /nfs/dbraw/zinc/91/89/93/900918993.db2.gz DPLPCRZMFPBIJF-ZIAGYGMSSA-N 2 0 283.416 0.504 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491072238 903332192 /nfs/dbraw/zinc/33/21/92/903332192.db2.gz QPXMVRGCAAUXEW-FRRDWIJNSA-N 2 0 251.374 0.587 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491132962 903394429 /nfs/dbraw/zinc/39/44/29/903394429.db2.gz IAYZNXKZOLMMTA-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491566761 904098007 /nfs/dbraw/zinc/09/80/07/904098007.db2.gz AZGLBDDCUAFMJB-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+][C@@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001281744376 904338802 /nfs/dbraw/zinc/33/88/02/904338802.db2.gz YRLKZCDYGLTHCX-LBPRGKRZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001283492169 904874069 /nfs/dbraw/zinc/87/40/69/904874069.db2.gz HHKUTMVMEYHVJD-KGLIPLIRSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001283770080 905005800 /nfs/dbraw/zinc/00/58/00/905005800.db2.gz IRYSEVRLSMAFLN-LBPRGKRZSA-N 2 0 288.351 0.509 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001283796210 905017522 /nfs/dbraw/zinc/01/75/22/905017522.db2.gz HXLVSLSBTRHLTE-GJZGRUSLSA-N 2 0 295.427 0.198 20 30 CCEDRP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001284520643 905356234 /nfs/dbraw/zinc/35/62/34/905356234.db2.gz WAUCISUZSXNAAF-AWEZNQCLSA-N 2 0 285.432 0.654 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001491641273 907476499 /nfs/dbraw/zinc/47/64/99/907476499.db2.gz OKYDAGMZFDQVST-CHWSQXEVSA-N 2 0 269.389 0.071 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001316993726 908906159 /nfs/dbraw/zinc/90/61/59/908906159.db2.gz CYFFBHDWWMDCKA-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351835 909154944 /nfs/dbraw/zinc/15/49/44/909154944.db2.gz BKEQGKTXSSVFOQ-CABCVRRESA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001319524192 910187538 /nfs/dbraw/zinc/18/75/38/910187538.db2.gz UUBBCSWJNFLIRG-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320262919 910563728 /nfs/dbraw/zinc/56/37/28/910563728.db2.gz KCNDTOHEENQLGY-MELADBBJSA-N 2 0 283.416 0.360 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2cncn2C1 ZINC001322191556 911704352 /nfs/dbraw/zinc/70/43/52/911704352.db2.gz BZRAHUGTNLWBEI-OLZOCXBDSA-N 2 0 274.368 0.515 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001323013481 912071756 /nfs/dbraw/zinc/07/17/56/912071756.db2.gz CJBLFDONQIOSJF-HNNXBMFYSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329051781 915628041 /nfs/dbraw/zinc/62/80/41/915628041.db2.gz CQXGAWWFMTUGNZ-CHWSQXEVSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001330041341 916376291 /nfs/dbraw/zinc/37/62/91/916376291.db2.gz ZCBKKBSJGYEPRN-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975894 917775134 /nfs/dbraw/zinc/77/51/34/917775134.db2.gz KANVLAAKZVHIAG-GJZGRUSLSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001340702507 922174366 /nfs/dbraw/zinc/17/43/66/922174366.db2.gz MJVXXNBHWJWSRI-UONOGXRCSA-N 2 0 257.337 0.081 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CCO[C@@H](C)C1 ZINC001340838260 922233008 /nfs/dbraw/zinc/23/30/08/922233008.db2.gz HYBNHRPEKQTDAE-STQMWFEESA-N 2 0 269.389 0.507 20 30 CCEDRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001341590754 922571264 /nfs/dbraw/zinc/57/12/64/922571264.db2.gz HVBFPZTZGAUSDT-UKRRQHHQSA-N 2 0 261.369 0.329 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001341734309 922646997 /nfs/dbraw/zinc/64/69/97/922646997.db2.gz VTMQTAUJNYGTOS-KGLIPLIRSA-N 2 0 282.432 0.422 20 30 CCEDRP C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C#CC1CC[NH2+]CC1 ZINC001342555942 923000014 /nfs/dbraw/zinc/00/00/14/923000014.db2.gz QEJHHRGKRWDRJZ-AGIUHOORSA-N 2 0 263.385 0.587 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001480116300 925518584 /nfs/dbraw/zinc/51/85/84/925518584.db2.gz UUMAMQFKRDTNJO-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC001353908572 925960525 /nfs/dbraw/zinc/96/05/25/925960525.db2.gz TVLJWNMTVBVPNI-AWEZNQCLSA-N 2 0 263.385 0.446 20 30 CCEDRP C[NH2+][C@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC001358170678 926648928 /nfs/dbraw/zinc/64/89/28/926648928.db2.gz PWBBSTSSPNLPKH-LSDHHAIUSA-N 2 0 288.395 0.954 20 30 CCEDRP C[C@@H]1[NH2+]C[C@H](C)N(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C ZINC001358177996 926650771 /nfs/dbraw/zinc/65/07/71/926650771.db2.gz VNVCXQUPPFRSCI-BJDJZHNGSA-N 2 0 252.362 0.605 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000601976485 362447960 /nfs/dbraw/zinc/44/79/60/362447960.db2.gz QWTLHUSZXYMPII-RYUDHWBXSA-N 2 0 266.389 0.902 20 30 CCEDRP C[C@H]1C[C@H](C[NH+]2CCN(CCC#N)CC2)CC[NH2+]1 ZINC000602022194 362460804 /nfs/dbraw/zinc/46/08/04/362460804.db2.gz RGKLHDKHHNIVRE-UONOGXRCSA-N 2 0 250.390 0.906 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000063178502 348680909 /nfs/dbraw/zinc/68/09/09/348680909.db2.gz GLIXQJBRBPJGEN-HNNXBMFYSA-N 2 0 286.379 0.845 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000491704087 358296624 /nfs/dbraw/zinc/29/66/24/358296624.db2.gz KCYDQSPEGYUEPS-OAHLLOKOSA-N 2 0 294.443 0.923 20 30 CCEDRP CN1CCN(C(=O)NCc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000573094470 358937435 /nfs/dbraw/zinc/93/74/35/358937435.db2.gz CEAJDGBKNDLCGD-AWEZNQCLSA-N 2 0 287.367 0.343 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000591770769 359657356 /nfs/dbraw/zinc/65/73/56/359657356.db2.gz YNFAMDYPBOVDHI-CABCVRRESA-N 2 0 282.432 0.514 20 30 CCEDRP N#Cc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000592985265 360007881 /nfs/dbraw/zinc/00/78/81/360007881.db2.gz KHGCNPDKBNQXCD-UHFFFAOYSA-N 2 0 258.369 0.943 20 30 CCEDRP C[C@@H](NC(=O)[C@]1(C#N)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000592958545 359999663 /nfs/dbraw/zinc/99/96/63/359999663.db2.gz DCBKGSRZUJUJAA-RISCZKNCSA-N 2 0 264.373 0.336 20 30 CCEDRP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426657 360300627 /nfs/dbraw/zinc/30/06/27/360300627.db2.gz QMXCDWURLSQMBU-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594436654 360305458 /nfs/dbraw/zinc/30/54/58/360305458.db2.gz PFDWYGXTNWONRZ-QWHCGFSZSA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439501 360308051 /nfs/dbraw/zinc/30/80/51/360308051.db2.gz RIAAXZUCFSORJV-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439605 360308494 /nfs/dbraw/zinc/30/84/94/360308494.db2.gz SOMUWASYTYZAIZ-KWCYVHTRSA-N 2 0 278.400 0.997 20 30 CCEDRP COCC1(CNC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]CC1 ZINC000594444746 360313329 /nfs/dbraw/zinc/31/33/29/360313329.db2.gz XAXMWVPPPTWMSQ-CYBMUJFWSA-N 2 0 296.415 0.530 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574287475 335007094 /nfs/dbraw/zinc/00/70/94/335007094.db2.gz GVXZSAGRRCZWLP-LXVYMNJGSA-N 2 0 264.373 0.737 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000635532078 372593805 /nfs/dbraw/zinc/59/38/05/372593805.db2.gz YXHRIHINPRRSBR-LSDHHAIUSA-N 2 0 293.411 0.616 20 30 CCEDRP CC[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)[NH+](C)C ZINC000089663669 284624453 /nfs/dbraw/zinc/62/44/53/284624453.db2.gz RXLHTSMOSVOAFU-LBPRGKRZSA-N 2 0 292.387 0.712 20 30 CCEDRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330609080 389246573 /nfs/dbraw/zinc/24/65/73/389246573.db2.gz RKBQSOCMKXCRLT-LLVKDONJSA-N 2 0 284.404 0.699 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1ccccn1 ZINC000264060767 389304184 /nfs/dbraw/zinc/30/41/84/389304184.db2.gz CSHDGYRGUBDKLC-ZDUSSCGKSA-N 2 0 290.415 0.882 20 30 CCEDRP COCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)N(C)C ZINC000264071053 389305025 /nfs/dbraw/zinc/30/50/25/389305025.db2.gz GFOBNVBECVRUCJ-CQSZACIVSA-N 2 0 294.399 0.849 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)c1 ZINC000264128156 389307507 /nfs/dbraw/zinc/30/75/07/389307507.db2.gz WXVAHAHDKKFRGK-GFCCVEGCSA-N 2 0 264.377 0.309 20 30 CCEDRP C=CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430628634 389814828 /nfs/dbraw/zinc/81/48/28/389814828.db2.gz OWFUCJDBXGMXBT-CYBMUJFWSA-N 2 0 251.374 0.706 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000491255846 390111093 /nfs/dbraw/zinc/11/10/93/390111093.db2.gz YFSIWRDTWRUUJC-HNNXBMFYSA-N 2 0 294.443 0.973 20 30 CCEDRP C[N@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000535758229 390151421 /nfs/dbraw/zinc/15/14/21/390151421.db2.gz CVDWLLUSCDHBLJ-GFCCVEGCSA-N 2 0 296.440 0.528 20 30 CCEDRP C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000647799514 390176124 /nfs/dbraw/zinc/17/61/24/390176124.db2.gz IMLMEOMBHYPDKJ-FRRDWIJNSA-N 2 0 261.373 0.942 20 30 CCEDRP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)CN1CC[NH+](C)CC1 ZINC000562994053 390492296 /nfs/dbraw/zinc/49/22/96/390492296.db2.gz UJBSVLPBHIYBFF-LSDHHAIUSA-N 2 0 277.416 0.903 20 30 CCEDRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000563955283 390494032 /nfs/dbraw/zinc/49/40/32/390494032.db2.gz WGCAJDHIWXJFCC-CHWSQXEVSA-N 2 0 266.389 0.854 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000578497980 390886610 /nfs/dbraw/zinc/88/66/10/390886610.db2.gz TZKNEPIDASPQCK-QWHCGFSZSA-N 2 0 266.389 0.950 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)CCCOC)CCC[NH2+]1 ZINC000662742952 414750488 /nfs/dbraw/zinc/75/04/88/414750488.db2.gz JCWOBEGKJYPMAE-OAHLLOKOSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC[NH2+]1 ZINC000662765367 414772952 /nfs/dbraw/zinc/77/29/52/414772952.db2.gz FWEUNETWEFECOM-LSDHHAIUSA-N 2 0 263.385 0.897 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC000662770976 414779203 /nfs/dbraw/zinc/77/92/03/414779203.db2.gz DVDDFWSQQKGFDP-MBNYWOFBSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662413761 414715928 /nfs/dbraw/zinc/71/59/28/414715928.db2.gz JMQSTGZIGIGLSG-JSGCOSHPSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CCC[NH2+]1 ZINC000662419932 414716601 /nfs/dbraw/zinc/71/66/01/414716601.db2.gz PPKRCAMPRCNHCM-MBNYWOFBSA-N 2 0 251.374 0.880 20 30 CCEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000104171724 260619681 /nfs/dbraw/zinc/61/96/81/260619681.db2.gz GCFGAQRXAPVFIJ-UHFFFAOYSA-N 2 0 276.384 0.895 20 30 CCEDRP C#CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000490761998 261203575 /nfs/dbraw/zinc/20/35/75/261203575.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491566183 261672411 /nfs/dbraw/zinc/67/24/11/261672411.db2.gz DZOQELQMBVTNKO-OLZOCXBDSA-N 2 0 266.389 0.239 20 30 CCEDRP CN1CC[NH+]=C1NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000284950702 263088455 /nfs/dbraw/zinc/08/84/55/263088455.db2.gz DUPOCMAWAFKABD-OAHLLOKOSA-N 2 0 288.395 0.297 20 30 CCEDRP C[C@@H]1C[NH+]=C(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)N1 ZINC000285025624 263089368 /nfs/dbraw/zinc/08/93/68/263089368.db2.gz JKHDAKADJJXRQD-IUODEOHRSA-N 2 0 288.395 0.343 20 30 CCEDRP CC[C@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@@](O)(CC)C2)C1 ZINC000342176652 263392630 /nfs/dbraw/zinc/39/26/30/263392630.db2.gz WGRKKLUDCMCZHU-HOTGVXAUSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000070189621 264225882 /nfs/dbraw/zinc/22/58/82/264225882.db2.gz UFZSYBPETTWLHC-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCCC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566112478 327138737 /nfs/dbraw/zinc/13/87/37/327138737.db2.gz WPQQPABHIWNANN-CABCVRRESA-N 2 0 269.433 0.929 20 30 CCEDRP C=CCC(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000571910277 329930492 /nfs/dbraw/zinc/93/04/92/329930492.db2.gz OHFBMASMXPACJD-AWEZNQCLSA-N 2 0 269.433 0.787 20 30 CCEDRP CC[NH+]1CCN([C@H](C)C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000261970777 329992505 /nfs/dbraw/zinc/99/25/05/329992505.db2.gz DDEQEPWADNZFRD-CYBMUJFWSA-N 2 0 269.437 0.492 20 30 CCEDRP [NH2+]=C(NCCN1CC=CCC1)NC[C@@H]1CCCO1 ZINC000262356246 330007882 /nfs/dbraw/zinc/00/78/82/330007882.db2.gz JIPNZWXTBAGRTD-LBPRGKRZSA-N 2 0 252.362 0.332 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262471194 330015596 /nfs/dbraw/zinc/01/55/96/330015596.db2.gz OGSRZZJPPRMMTA-OLZOCXBDSA-N 2 0 290.415 0.587 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262481664 330016635 /nfs/dbraw/zinc/01/66/35/330016635.db2.gz RRKIYUFHGBVVGN-STQMWFEESA-N 2 0 268.405 0.754 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC2=[NH+]CCN2C)C1 ZINC000262670730 330025738 /nfs/dbraw/zinc/02/57/38/330025738.db2.gz QVBJOJBAVPAFJY-LBPRGKRZSA-N 2 0 254.378 0.234 20 30 CCEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCCC1 ZINC000262744282 330029107 /nfs/dbraw/zinc/02/91/07/330029107.db2.gz DFTLZZKESARJHI-ZDUSSCGKSA-N 2 0 265.405 0.048 20 30 CCEDRP C[N@@H+]1CCN(CCNC(=[NH2+])NCC2CCC2)CC1(C)C ZINC000262811268 330033320 /nfs/dbraw/zinc/03/33/20/330033320.db2.gz VCISHLHRKMXEBS-UHFFFAOYSA-N 2 0 281.448 0.717 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCC2(C)C)CCO1 ZINC000263078941 330042369 /nfs/dbraw/zinc/04/23/69/330042369.db2.gz HNXOBKZSZPZGQY-GFCCVEGCSA-N 2 0 268.405 0.896 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000424074192 330220531 /nfs/dbraw/zinc/22/05/31/330220531.db2.gz GRRWBNLFNYBDDB-GRYCIOLGSA-N 2 0 252.362 0.641 20 30 CCEDRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424133927 330266381 /nfs/dbraw/zinc/26/63/81/330266381.db2.gz MYHSGVYLJGHVTI-CHWSQXEVSA-N 2 0 266.389 0.950 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424143037 330286691 /nfs/dbraw/zinc/28/66/91/330286691.db2.gz VUKNOKNGRVHHNZ-ZIAGYGMSSA-N 2 0 296.415 0.481 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000424151895 330297206 /nfs/dbraw/zinc/29/72/06/330297206.db2.gz IPIYGVOICACSJH-DGCLKSJQSA-N 2 0 287.367 0.857 20 30 CCEDRP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424192771 330323953 /nfs/dbraw/zinc/32/39/53/330323953.db2.gz POCBPTIDOWPVPV-CYBMUJFWSA-N 2 0 282.388 0.188 20 30 CCEDRP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424192772 330323960 /nfs/dbraw/zinc/32/39/60/330323960.db2.gz POCBPTIDOWPVPV-ZDUSSCGKSA-N 2 0 282.388 0.188 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442633195 330777704 /nfs/dbraw/zinc/77/77/04/330777704.db2.gz CCICDPGAHWSMNY-ZIAGYGMSSA-N 2 0 250.390 0.906 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000491265898 332176945 /nfs/dbraw/zinc/17/69/45/332176945.db2.gz NDZDIVVWPIKULO-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000491463096 332216418 /nfs/dbraw/zinc/21/64/18/332216418.db2.gz LLLLLQKXCZPMLN-GFCCVEGCSA-N 2 0 252.362 0.074 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000491632781 332254830 /nfs/dbraw/zinc/25/48/30/332254830.db2.gz SRGGWIMGRJDTDG-OAHLLOKOSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000491646844 332263708 /nfs/dbraw/zinc/26/37/08/332263708.db2.gz VHQCJWPIALVDJC-ZNMIVQPWSA-N 2 0 292.427 0.710 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000491646650 332263835 /nfs/dbraw/zinc/26/38/35/332263835.db2.gz UGRSHHWGTSWCJV-HNNXBMFYSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000491708976 332301000 /nfs/dbraw/zinc/30/10/00/332301000.db2.gz OCVXQIQDTAXLFO-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000491783902 332347227 /nfs/dbraw/zinc/34/72/27/332347227.db2.gz OKBGSRBDPBKCQJ-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1 ZINC000068106849 333671932 /nfs/dbraw/zinc/67/19/32/333671932.db2.gz AZGHFVFGCLTOLO-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305802162 649879545 /nfs/dbraw/zinc/87/95/45/649879545.db2.gz DTQHNNYWJUYKSM-ZDUSSCGKSA-N 2 0 281.448 0.669 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000791380399 581218836 /nfs/dbraw/zinc/21/88/36/581218836.db2.gz QCKFBAGMQFRKLY-CQSZACIVSA-N 2 0 281.400 0.285 20 30 CCEDRP C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CC[NH3+])C1=O ZINC000420308819 581580414 /nfs/dbraw/zinc/58/04/14/581580414.db2.gz DLHHHCYKQIHGDO-QWHCGFSZSA-N 2 0 251.374 0.977 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000764290330 582041163 /nfs/dbraw/zinc/04/11/63/582041163.db2.gz WRGOAUSVQAZHFV-LBPRGKRZSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000764310502 582041693 /nfs/dbraw/zinc/04/16/93/582041693.db2.gz MNIHGBHIUHHWLY-UHFFFAOYSA-N 2 0 269.389 0.333 20 30 CCEDRP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877107587 617174916 /nfs/dbraw/zinc/17/49/16/617174916.db2.gz JLPCPQDXBKIEMK-YGRLFVJLSA-N 2 0 272.352 0.551 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000968904013 612962566 /nfs/dbraw/zinc/96/25/66/612962566.db2.gz GCRSVAWBGWMDPS-HUUCEWRRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000970384975 612960150 /nfs/dbraw/zinc/96/01/50/612960150.db2.gz JWFOIOWCSUNKEB-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000969845976 612962004 /nfs/dbraw/zinc/96/20/04/612962004.db2.gz OYDDKVAURIMWHU-CHWSQXEVSA-N 2 0 251.374 0.396 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891920664 613077045 /nfs/dbraw/zinc/07/70/45/613077045.db2.gz CGMHKQZNYDBYAP-ZFWWWQNUSA-N 2 0 278.400 0.525 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861975 613079896 /nfs/dbraw/zinc/07/98/96/613079896.db2.gz VKJJAUJAXZDTMP-CQSZACIVSA-N 2 0 275.396 0.781 20 30 CCEDRP C[NH+]=C(NCCCN(C)CC[NH+](C)C)NC1CC1 ZINC000849028359 613219548 /nfs/dbraw/zinc/21/95/48/613219548.db2.gz SMHBHHRUJYHJJT-UHFFFAOYSA-N 2 0 255.410 0.197 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933801 613257358 /nfs/dbraw/zinc/25/73/58/613257358.db2.gz GWVUINARAOFPFY-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970869359 613299084 /nfs/dbraw/zinc/29/90/84/613299084.db2.gz PLGZUEYFYUUFPQ-CHWSQXEVSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978145182 613308876 /nfs/dbraw/zinc/30/88/76/613308876.db2.gz OYCYEZZABPPYPV-FPCVCCKLSA-N 2 0 287.407 0.255 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852762589 613325333 /nfs/dbraw/zinc/32/53/33/613325333.db2.gz PNHJMPIWRAGRQY-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958414757 613344970 /nfs/dbraw/zinc/34/49/70/613344970.db2.gz KDGWELKDYAKMRU-RQJABVFESA-N 2 0 263.385 0.703 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000900474308 613365766 /nfs/dbraw/zinc/36/57/66/613365766.db2.gz OEXMCBPNKVCPIK-UHFFFAOYSA-N 2 0 279.388 0.891 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877272941 613389382 /nfs/dbraw/zinc/38/93/82/613389382.db2.gz LVWURACJWKZPGP-HBNTYKKESA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000876544850 613389610 /nfs/dbraw/zinc/38/96/10/613389610.db2.gz YWKDGIVEJLPFEO-UTLUCORTSA-N 2 0 261.753 0.031 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000876780777 613389878 /nfs/dbraw/zinc/38/98/78/613389878.db2.gz BGTHCWRVDPODRQ-NEPJUHHUSA-N 2 0 288.823 0.208 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000876750969 613390143 /nfs/dbraw/zinc/39/01/43/613390143.db2.gz KYAHIKYVCQUWJC-NEPJUHHUSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876736851 613390287 /nfs/dbraw/zinc/39/02/87/613390287.db2.gz LEHUNXGJEHSVLO-KOLCDFICSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000876756578 613390297 /nfs/dbraw/zinc/39/02/97/613390297.db2.gz VNVVSWWEQIXGQE-MNOVXSKESA-N 2 0 275.780 0.293 20 30 CCEDRP C=CCn1cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)nn1 ZINC000849044434 613433988 /nfs/dbraw/zinc/43/39/88/613433988.db2.gz OVIGTGUVCZRRHS-CYBMUJFWSA-N 2 0 291.403 0.562 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944292 613578820 /nfs/dbraw/zinc/57/88/20/613578820.db2.gz MEZLAYSBXJANAH-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000962302508 613633903 /nfs/dbraw/zinc/63/39/03/613633903.db2.gz DCOLXQXKAYKMMC-TTZDDIAXSA-N 2 0 275.396 0.398 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959923085 613636201 /nfs/dbraw/zinc/63/62/01/613636201.db2.gz OSUCHMZXZNSLTE-WCVJEAGWSA-N 2 0 287.407 0.398 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861573963 613674809 /nfs/dbraw/zinc/67/48/09/613674809.db2.gz NUFKJSGKTKMMRW-LLVKDONJSA-N 2 0 254.378 0.625 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000917137084 613674870 /nfs/dbraw/zinc/67/48/70/613674870.db2.gz KXKFRSNHXXTIHM-ZDUSSCGKSA-N 2 0 266.389 0.640 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923451396 613739025 /nfs/dbraw/zinc/73/90/25/613739025.db2.gz LLVVGYORCYOWSL-ZIAGYGMSSA-N 2 0 293.411 0.603 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)C1=O ZINC000923493236 613778662 /nfs/dbraw/zinc/77/86/62/613778662.db2.gz FXLWVVOLYURFMA-UPJWGTAASA-N 2 0 251.374 0.690 20 30 CCEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215896 613812256 /nfs/dbraw/zinc/81/22/56/613812256.db2.gz YIGNOUXVPAPSGZ-UONOGXRCSA-N 2 0 293.411 0.210 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977926186 613834462 /nfs/dbraw/zinc/83/44/62/613834462.db2.gz ZTHMTNUMUCSEIQ-FQUUOJAGSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CCNC(=[NH2+])NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000849022699 613844692 /nfs/dbraw/zinc/84/46/92/613844692.db2.gz SUXLQSAUSLVFED-GFCCVEGCSA-N 2 0 254.378 0.787 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000969960151 613863654 /nfs/dbraw/zinc/86/36/54/613863654.db2.gz PICUWNWHTRCGDD-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCCCC1 ZINC000844194328 614191986 /nfs/dbraw/zinc/19/19/86/614191986.db2.gz DNRCXHJFYMPRAZ-MELADBBJSA-N 2 0 278.400 0.725 20 30 CCEDRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500007 614237975 /nfs/dbraw/zinc/23/79/75/614237975.db2.gz PRGFXFPHBWCJKW-XBFCOCLRSA-N 2 0 294.399 0.007 20 30 CCEDRP CCCN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[NH2+]C1 ZINC000884026728 614499077 /nfs/dbraw/zinc/49/90/77/614499077.db2.gz KJFYHUUWLSZQFZ-WJEHIRDRSA-N 2 0 290.411 0.726 20 30 CCEDRP CCC[N@H+](CC)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884229581 614568999 /nfs/dbraw/zinc/56/89/99/614568999.db2.gz UWZAYKNLCWQSNB-NPCAHTBFSA-N 2 0 292.427 0.974 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194413 614665473 /nfs/dbraw/zinc/66/54/73/614665473.db2.gz GPDNOVWGFCRENH-SDDRHHMPSA-N 2 0 250.346 0.089 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884365457 614849805 /nfs/dbraw/zinc/84/98/05/614849805.db2.gz JLPZGRITHRNLBO-JEHXAXEVSA-N 2 0 276.384 0.368 20 30 CCEDRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852869126 615473849 /nfs/dbraw/zinc/47/38/49/615473849.db2.gz VSTQWGMMEZRUKW-HNNXBMFYSA-N 2 0 277.412 0.980 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000913520779 615857818 /nfs/dbraw/zinc/85/78/18/615857818.db2.gz YEXOHPLBLHGWPG-LBPRGKRZSA-N 2 0 269.414 0.105 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2cc(C#N)cnn2)C[C@H]1C[NH+](C)C ZINC000866009980 615930802 /nfs/dbraw/zinc/93/08/02/615930802.db2.gz BYURYSZFOINFFE-ZIAGYGMSSA-N 2 0 288.399 0.524 20 30 CCEDRP CN(C)C(=[NH+]C[C@@]1([NH+](C)C)CCSC1)N(C)C ZINC000849003836 615944996 /nfs/dbraw/zinc/94/49/96/615944996.db2.gz JCTVMTITQRSNDV-LBPRGKRZSA-N 2 0 258.435 0.903 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139698 625340945 /nfs/dbraw/zinc/34/09/45/625340945.db2.gz LBBQZUOJOVUTGP-LEOABGAYSA-N 2 0 289.423 0.786 20 30 CCEDRP N#CCN1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000925608567 625445017 /nfs/dbraw/zinc/44/50/17/625445017.db2.gz FMEGKNUKWJDDCM-WPTOEGHWSA-N 2 0 260.385 0.560 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001023272807 622973522 /nfs/dbraw/zinc/97/35/22/622973522.db2.gz DUGNVTUCIBCVRE-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744205 623125351 /nfs/dbraw/zinc/12/53/51/623125351.db2.gz KNWHZJYJPWLECB-UONOGXRCSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024808181 623449462 /nfs/dbraw/zinc/44/94/62/623449462.db2.gz DOKWLYAARLGVPT-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001020499960 624497487 /nfs/dbraw/zinc/49/74/87/624497487.db2.gz JLYMXNPARATPFQ-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001021898400 624850713 /nfs/dbraw/zinc/85/07/13/624850713.db2.gz ZRBOJEPAWPEIBH-XQQFMLRXSA-N 2 0 251.374 0.894 20 30 CCEDRP C=CC[N@@H+](CCOC)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914413 634677193 /nfs/dbraw/zinc/67/71/93/634677193.db2.gz URBXZSBNIFTOHC-CQSZACIVSA-N 2 0 280.416 0.980 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001027650208 630833660 /nfs/dbraw/zinc/83/36/60/630833660.db2.gz CGFUFFDKKCUKAJ-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805709 630935937 /nfs/dbraw/zinc/93/59/37/630935937.db2.gz AVZYPRGAALNTBJ-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C[NH+]=C(NCc1nc(C)no1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261852029 631653393 /nfs/dbraw/zinc/65/33/93/631653393.db2.gz YDSHSIQEVVPATL-JOYOIKCWSA-N 2 0 292.387 0.526 20 30 CCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261875192 631666663 /nfs/dbraw/zinc/66/66/63/631666663.db2.gz PRJJWVMQJAHRCY-RYUDHWBXSA-N 2 0 254.378 0.412 20 30 CCEDRP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261947039 631721070 /nfs/dbraw/zinc/72/10/70/631721070.db2.gz GFLWNGQXDITWJW-PSASIEDQSA-N 2 0 260.332 0.899 20 30 CCEDRP CCNC(NC[C@@H]1CCC[N@@H+]1CCOC)=[NH+]CC ZINC000303982784 632502977 /nfs/dbraw/zinc/50/29/77/632502977.db2.gz QQTTXQJYPLCXMJ-LBPRGKRZSA-N 2 0 256.394 0.672 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC000987275238 632854964 /nfs/dbraw/zinc/85/49/64/632854964.db2.gz CODJCGFCCKHVGB-HIFRSBDPSA-N 2 0 293.411 0.309 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000987517665 632874366 /nfs/dbraw/zinc/87/43/66/632874366.db2.gz IZCMVEVAAUISFK-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989662294 633340232 /nfs/dbraw/zinc/34/02/32/633340232.db2.gz RWQJPYGLTFXQPG-ZDUSSCGKSA-N 2 0 251.374 0.658 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000990569456 633555608 /nfs/dbraw/zinc/55/56/08/633555608.db2.gz DZLXVHAGSSKKKN-CYBMUJFWSA-N 2 0 267.373 0.084 20 30 CCEDRP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992473990 637442555 /nfs/dbraw/zinc/44/25/55/637442555.db2.gz GNRLZHDYTUPSLD-SQWLQELKSA-N 2 0 275.396 0.685 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997009139 638848282 /nfs/dbraw/zinc/84/82/82/638848282.db2.gz OZOWUFXXTZYTDG-OCCSQVGLSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000998583026 638928846 /nfs/dbraw/zinc/92/88/46/638928846.db2.gz NFODUQCYUKBBAI-RUXDESIVSA-N 2 0 281.400 0.472 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999596352 638988326 /nfs/dbraw/zinc/98/83/26/638988326.db2.gz LNHHOMQPGDHPBI-AWEZNQCLSA-N 2 0 275.396 0.829 20 30 CCEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999833534 639006693 /nfs/dbraw/zinc/00/66/93/639006693.db2.gz LTANPJKPUJHJCO-UHFFFAOYSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001000705391 639159388 /nfs/dbraw/zinc/15/93/88/639159388.db2.gz BNHPDIUQDBCAGK-CYBMUJFWSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001377070 639291232 /nfs/dbraw/zinc/29/12/32/639291232.db2.gz QXPGRHGISOQTSZ-UHFFFAOYSA-N 2 0 273.380 0.464 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003549045 639563961 /nfs/dbraw/zinc/56/39/61/639563961.db2.gz YBKGNWOSCMYVPE-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccc([C@H](O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461550 640149931 /nfs/dbraw/zinc/14/99/31/640149931.db2.gz YPJFJNBSNGYCEJ-OAHLLOKOSA-N 2 0 274.368 0.086 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016969155 650774912 /nfs/dbraw/zinc/77/49/12/650774912.db2.gz JWEACOOOAVRITB-KGLIPLIRSA-N 2 0 275.396 0.542 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844194757 643178133 /nfs/dbraw/zinc/17/81/33/643178133.db2.gz KDKKXKXBPZOHTF-QWHCGFSZSA-N 2 0 264.373 0.480 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000846677106 643441291 /nfs/dbraw/zinc/44/12/91/643441291.db2.gz KMWQBZILHNYYFW-YPMHNXCESA-N 2 0 258.325 0.029 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848429187 643636601 /nfs/dbraw/zinc/63/66/01/643636601.db2.gz MJTMBCNAWFREHQ-TZMCWYRMSA-N 2 0 264.373 0.752 20 30 CCEDRP C=CC[C@H](CO)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849016187 643700450 /nfs/dbraw/zinc/70/04/50/643700450.db2.gz RNAMFSRBDCWLGO-QWHCGFSZSA-N 2 0 268.405 0.769 20 30 CCEDRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852798352 644003038 /nfs/dbraw/zinc/00/30/38/644003038.db2.gz IUTVRTOCCCYPNM-KGLIPLIRSA-N 2 0 263.385 0.623 20 30 CCEDRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852859175 644027600 /nfs/dbraw/zinc/02/76/00/644027600.db2.gz NZWHKDUWYYMSMH-AWEZNQCLSA-N 2 0 277.412 0.980 20 30 CCEDRP C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852889064 644044053 /nfs/dbraw/zinc/04/40/53/644044053.db2.gz BABJXVNBJWQMPI-TZMCWYRMSA-N 2 0 263.385 0.433 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001018962584 650924860 /nfs/dbraw/zinc/92/48/60/650924860.db2.gz GCRSVAWBGWMDPS-CABCVRRESA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC=C)C2)CC1 ZINC001019814296 651007815 /nfs/dbraw/zinc/00/78/15/651007815.db2.gz XHZNWNIEQVWDCF-HNNXBMFYSA-N 2 0 275.396 0.708 20 30 CCEDRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867980007 645695781 /nfs/dbraw/zinc/69/57/81/645695781.db2.gz NVRPRFVCXUIXTJ-LKTVYLICSA-N 2 0 284.363 0.693 20 30 CCEDRP C[C@H](C#N)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875477593 646532679 /nfs/dbraw/zinc/53/26/79/646532679.db2.gz NFQBLIYLPRFQKK-MGPQQGTHSA-N 2 0 295.431 0.527 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876801823 646668889 /nfs/dbraw/zinc/66/88/89/646668889.db2.gz JILDNGCRHXSZEZ-OAGGEKHMSA-N 2 0 298.390 0.736 20 30 CCEDRP C[C@@H](C[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876829543 646675993 /nfs/dbraw/zinc/67/59/93/646675993.db2.gz KZBMSYXHEAJDAP-ZANVPECISA-N 2 0 258.325 0.208 20 30 CCEDRP C[C@H](CCC[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876857283 646683158 /nfs/dbraw/zinc/68/31/58/646683158.db2.gz AGXBDEROCCMWEZ-ABAIWWIYSA-N 2 0 286.379 0.989 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884254062 647685144 /nfs/dbraw/zinc/68/51/44/647685144.db2.gz CWIOTDXHYVSBIC-NCBWTUBMSA-N 2 0 276.384 0.240 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893175 648468983 /nfs/dbraw/zinc/46/89/83/648468983.db2.gz MKOSBLITSUGUGR-UBHSHLNASA-N 2 0 289.383 0.707 20 30 CCEDRP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC)C1 ZINC000303898045 649826461 /nfs/dbraw/zinc/82/64/61/649826461.db2.gz QZISZITWZNQRRZ-UONOGXRCSA-N 3 0 281.448 0.717 20 30 CCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000303908891 649826838 /nfs/dbraw/zinc/82/68/38/649826838.db2.gz XXMSFVNSVQJOLU-AWEZNQCLSA-N 2 0 299.463 0.343 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303978983 649827628 /nfs/dbraw/zinc/82/76/28/649827628.db2.gz MRJSQYMMWAOBKF-GFCCVEGCSA-N 2 0 253.394 0.103 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048577 805579212 /nfs/dbraw/zinc/57/92/12/805579212.db2.gz INIHASPOYFEHCM-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262688 805589143 /nfs/dbraw/zinc/58/91/43/805589143.db2.gz NFUOPESAMMDVID-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=C(C)C[NH+]1CCN(CCCNC(=O)CC[NH+](C)C)CC1 ZINC001266271120 790371623 /nfs/dbraw/zinc/37/16/23/790371623.db2.gz GCOLCLRAEWZNGH-UHFFFAOYSA-N 2 0 296.459 0.638 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266548585 790911604 /nfs/dbraw/zinc/91/16/04/790911604.db2.gz CREWZCJCPJUAOI-LSDHHAIUSA-N 2 0 295.427 0.579 20 30 CCEDRP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001277783580 806043473 /nfs/dbraw/zinc/04/34/73/806043473.db2.gz WMNHPKHZXDGPPM-OLZOCXBDSA-N 2 0 269.389 0.330 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001277819048 806146972 /nfs/dbraw/zinc/14/69/72/806146972.db2.gz HGMJOCCCHSTUFO-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]CCN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235006022 806342871 /nfs/dbraw/zinc/34/28/71/806342871.db2.gz HRDYTGRUJDRPGO-CQSZACIVSA-N 2 0 253.390 0.464 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001121952579 799105985 /nfs/dbraw/zinc/10/59/85/799105985.db2.gz JYKPCZKPCNCMNP-OAHLLOKOSA-N 2 0 296.459 0.766 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CCC[NH2+]1 ZINC001122143860 799154637 /nfs/dbraw/zinc/15/46/37/799154637.db2.gz NBNUBHYXFSXVSU-DYEKYZERSA-N 2 0 251.374 0.656 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149848974 800303260 /nfs/dbraw/zinc/30/32/60/800303260.db2.gz QLOZMISAAFEVMP-HUUCEWRRSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150293195 800329389 /nfs/dbraw/zinc/32/93/89/800329389.db2.gz WAJDRHFELCAISE-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151057030 800391894 /nfs/dbraw/zinc/39/18/94/800391894.db2.gz QDYMMLMYIOWRLP-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCNC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239215673 806864585 /nfs/dbraw/zinc/86/45/85/806864585.db2.gz LDEUCFQWVUNNOT-LLVKDONJSA-N 2 0 252.362 0.346 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037441 801558879 /nfs/dbraw/zinc/55/88/79/801558879.db2.gz IVQUFBGJSMLPMC-HUUCEWRRSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158372032 801628923 /nfs/dbraw/zinc/62/89/23/801628923.db2.gz CFCYWCNZPJXYFY-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380620 801629268 /nfs/dbraw/zinc/62/92/68/801629268.db2.gz RYLJSLUVKIOBNV-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159154986 801765083 /nfs/dbraw/zinc/76/50/83/801765083.db2.gz GHIVMUGHNVOFKR-LBPRGKRZSA-N 2 0 257.353 0.395 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915686 801889103 /nfs/dbraw/zinc/88/91/03/801889103.db2.gz LVUWGESTUXSLNV-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159933002 801893366 /nfs/dbraw/zinc/89/33/66/801893366.db2.gz XQDNHIUZEDPVJU-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](C#N)C1 ZINC001160640596 801986070 /nfs/dbraw/zinc/98/60/70/801986070.db2.gz IIACIWRXZWQGSK-NEPJUHHUSA-N 2 0 252.362 0.466 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160861972 802035082 /nfs/dbraw/zinc/03/50/82/802035082.db2.gz FESZIVLKGOAEKW-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161321524 802125824 /nfs/dbraw/zinc/12/58/24/802125824.db2.gz ITZRBIYSYIPKND-XEZPLFJOSA-N 2 0 293.411 0.615 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412154 802148209 /nfs/dbraw/zinc/14/82/09/802148209.db2.gz GXEPMPVSJAXHCY-FZKCQIBNSA-N 2 0 298.390 0.624 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789491 802224910 /nfs/dbraw/zinc/22/49/10/802224910.db2.gz QJZKRKYOUUROBB-UHFFFAOYSA-N 2 0 293.411 0.361 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C#N)c(OC)n1 ZINC001163122543 802488070 /nfs/dbraw/zinc/48/80/70/802488070.db2.gz NJXJQSSNQHWNLP-UHFFFAOYSA-N 2 0 291.359 0.635 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165775816 802864873 /nfs/dbraw/zinc/86/48/73/802864873.db2.gz AERYPZPLZKCXBV-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166694073 802941397 /nfs/dbraw/zinc/94/13/97/802941397.db2.gz VDIMBUQRLBRWEV-OLZOCXBDSA-N 2 0 251.374 0.303 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028658628 813176427 /nfs/dbraw/zinc/17/64/27/813176427.db2.gz BJUYQGISMMSYFQ-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP Cn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc1C#N ZINC001207109547 803353666 /nfs/dbraw/zinc/35/36/66/803353666.db2.gz NMADPVGIAFIGTN-UHFFFAOYSA-N 2 0 275.400 0.576 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208691450 803536832 /nfs/dbraw/zinc/53/68/32/803536832.db2.gz IUOJMYNNVRJXCF-UPJWGTAASA-N 2 0 253.390 0.949 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209419259 803603555 /nfs/dbraw/zinc/60/35/55/803603555.db2.gz JQTNXGJZZOBVKA-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859855 803704240 /nfs/dbraw/zinc/70/42/40/803704240.db2.gz MYHVHZNPXGXOTN-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(O)c1 ZINC001218990400 804176530 /nfs/dbraw/zinc/17/65/30/804176530.db2.gz BBSGLHDJVGNEBL-ZDUSSCGKSA-N 2 0 274.324 0.529 20 30 CCEDRP N#CCc1cccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001218988256 804176609 /nfs/dbraw/zinc/17/66/09/804176609.db2.gz SOJQHVVFBFTSJU-LBPRGKRZSA-N 2 0 278.381 0.710 20 30 CCEDRP N#Cc1c[nH]c2cc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)ccc12 ZINC001219045137 804185991 /nfs/dbraw/zinc/18/59/91/804185991.db2.gz ZICVASWWBVUIEX-ZDUSSCGKSA-N 2 0 295.346 0.787 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001219649434 804390765 /nfs/dbraw/zinc/39/07/65/804390765.db2.gz IUPSEOOFYOJFLD-QKCSRTOESA-N 2 0 251.374 0.656 20 30 CCEDRP O=C(NC1=CC(=O)CCC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219885227 804440986 /nfs/dbraw/zinc/44/09/86/804440986.db2.gz LFYBRHOYBIMLLY-CYBMUJFWSA-N 2 0 277.368 0.614 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355649 804582652 /nfs/dbraw/zinc/58/26/52/804582652.db2.gz XUFPQDXZPZIDMB-ZNMIVQPWSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220379654 804588084 /nfs/dbraw/zinc/58/80/84/804588084.db2.gz CJNQYGFYGCGQOF-AGIUHOORSA-N 2 0 269.389 0.064 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC[NH2+]1 ZINC001220500807 804617033 /nfs/dbraw/zinc/61/70/33/804617033.db2.gz KUQGBBGTIDZBCL-GOEBONIOSA-N 2 0 271.364 0.948 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584489 804629805 /nfs/dbraw/zinc/62/98/05/804629805.db2.gz ATVBESYYECKTDK-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688913 804650649 /nfs/dbraw/zinc/65/06/49/804650649.db2.gz VVFNFGJNIQARIR-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223425151 804970937 /nfs/dbraw/zinc/97/09/37/804970937.db2.gz NOQDZHRPQYVCQB-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228376945 805441285 /nfs/dbraw/zinc/44/12/85/805441285.db2.gz HOPVVQSPKODZIF-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246020796 807120870 /nfs/dbraw/zinc/12/08/70/807120870.db2.gz PUBCGFBGWNQGLA-NEPJUHHUSA-N 2 0 257.378 0.147 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022935 807122364 /nfs/dbraw/zinc/12/23/64/807122364.db2.gz RACFIZQQWLRHNI-OLZOCXBDSA-N 2 0 260.353 0.703 20 30 CCEDRP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246023857 807122639 /nfs/dbraw/zinc/12/26/39/807122639.db2.gz SKGAVPYRCOBZSN-KBPBESRZSA-N 2 0 254.374 0.448 20 30 CCEDRP C=C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246047838 807133657 /nfs/dbraw/zinc/13/36/57/807133657.db2.gz UMWXRIOAECKPGL-MBNYWOFBSA-N 2 0 268.357 0.008 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001251855611 807722780 /nfs/dbraw/zinc/72/27/80/807722780.db2.gz ZNJKYGFBJRGAOB-ZDUSSCGKSA-N 2 0 252.358 0.025 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001251897264 807741662 /nfs/dbraw/zinc/74/16/62/807741662.db2.gz WOLSMRYMUOBCQI-HNNXBMFYSA-N 2 0 266.385 0.461 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001252470062 807879856 /nfs/dbraw/zinc/87/98/56/807879856.db2.gz HBPTZVDRVVLLOF-ZDUSSCGKSA-N 2 0 254.374 0.578 20 30 CCEDRP C=CCC[C@@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252599988 807916915 /nfs/dbraw/zinc/91/69/15/807916915.db2.gz SLWRBCMWILRGBT-CQSZACIVSA-N 2 0 257.422 0.739 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689657 807995055 /nfs/dbraw/zinc/99/50/55/807995055.db2.gz GBZZZSXPSMUPRG-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC001261502144 809001337 /nfs/dbraw/zinc/00/13/37/809001337.db2.gz BABGFYQZZYQNEH-JHJVBQTASA-N 2 0 266.389 0.997 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462054 815300884 /nfs/dbraw/zinc/30/08/84/815300884.db2.gz GIQBUKFYKMJYMJ-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264416961 809654575 /nfs/dbraw/zinc/65/45/75/809654575.db2.gz KAGSBXQITNIYCE-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265624694 809815851 /nfs/dbraw/zinc/81/58/51/809815851.db2.gz XOEUCRKMJGPFON-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001266070855 809929669 /nfs/dbraw/zinc/92/96/69/809929669.db2.gz XQSLPYRDBWSPPW-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267281980 811090758 /nfs/dbraw/zinc/09/07/58/811090758.db2.gz NNVGZMGATZLDLW-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@H+](CCC)CCNC(=O)C[NH+]1CCCC1 ZINC001267320605 811147660 /nfs/dbraw/zinc/14/76/60/811147660.db2.gz PPRJKDUJEAAQJJ-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC#CCOC)C1 ZINC001100769398 811675439 /nfs/dbraw/zinc/67/54/39/811675439.db2.gz IIDUKLXSWAFHEE-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733304 811730448 /nfs/dbraw/zinc/73/04/48/811730448.db2.gz YWKAMXVFGJRVQI-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000709482051 811908267 /nfs/dbraw/zinc/90/82/67/811908267.db2.gz LIXYGVOPRSXGTR-XQQFMLRXSA-N 2 0 264.373 0.751 20 30 CCEDRP CC#CC[NH+](C)CCN(C)C(=O)CC[N@@H+](C)CC ZINC001268253543 812418334 /nfs/dbraw/zinc/41/83/34/812418334.db2.gz ALMAJPJCHIMZNI-UHFFFAOYSA-N 2 0 253.390 0.742 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268303649 812466528 /nfs/dbraw/zinc/46/65/28/812466528.db2.gz BQXGBTFIKHYRDE-QWHCGFSZSA-N 2 0 269.389 0.112 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001028312039 812611446 /nfs/dbraw/zinc/61/14/46/812611446.db2.gz AQLLWOYAZGZAHP-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001028333098 812623103 /nfs/dbraw/zinc/62/31/03/812623103.db2.gz DHFAIEDATCFJSS-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268538001 812780092 /nfs/dbraw/zinc/78/00/92/812780092.db2.gz DQCNDQBTKVWZBG-RGDDUWESSA-N 2 0 275.396 0.614 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268693777 813016631 /nfs/dbraw/zinc/01/66/31/813016631.db2.gz FAWRRPLAKLVSPH-AWEZNQCLSA-N 2 0 293.411 0.359 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268694327 813016900 /nfs/dbraw/zinc/01/69/00/813016900.db2.gz LVCPEBCYYOQOMK-AWEZNQCLSA-N 2 0 295.427 0.912 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268711187 813026353 /nfs/dbraw/zinc/02/63/53/813026353.db2.gz CJPSKXGSNSMZEL-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[NH2+]CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001268797628 813090437 /nfs/dbraw/zinc/09/04/37/813090437.db2.gz VBEJCQPNUAXXGR-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001269116551 813222679 /nfs/dbraw/zinc/22/26/79/813222679.db2.gz SDVKIYASIDODLR-OLZOCXBDSA-N 2 0 251.374 0.444 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028983569 813723794 /nfs/dbraw/zinc/72/37/94/813723794.db2.gz CZAYKQYBRJCWST-UONOGXRCSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)C(C)C ZINC001271885758 814619424 /nfs/dbraw/zinc/61/94/24/814619424.db2.gz PMCRQAZTXPWOMK-ZDUSSCGKSA-N 2 0 253.390 0.692 20 30 CCEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001271978016 814660854 /nfs/dbraw/zinc/66/08/54/814660854.db2.gz XMXPPMWBONLBSS-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980905 816202132 /nfs/dbraw/zinc/20/21/32/816202132.db2.gz WCFAUQLJIGOMLW-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001272568535 816590297 /nfs/dbraw/zinc/59/02/97/816590297.db2.gz XWDQXLLBDMLICZ-STQMWFEESA-N 2 0 271.405 0.215 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1CC[NH2+]CC1 ZINC001122587339 816735088 /nfs/dbraw/zinc/73/50/88/816735088.db2.gz IRDFFNNEUYCLSF-LBPRGKRZSA-N 2 0 252.362 0.608 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481813 817154912 /nfs/dbraw/zinc/15/49/12/817154912.db2.gz XPZWMPUPESMHTP-CQSZACIVSA-N 2 0 281.400 0.237 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948454 817484356 /nfs/dbraw/zinc/48/43/56/817484356.db2.gz BDEIWDRURUADQG-UHFFFAOYSA-N 2 0 265.401 0.952 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679122 817983780 /nfs/dbraw/zinc/98/37/80/817983780.db2.gz HWIULBYEJYYAFG-MGPQQGTHSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212462794 818137659 /nfs/dbraw/zinc/13/76/59/818137659.db2.gz KFERXEDVVBRBMT-MGPQQGTHSA-N 2 0 283.416 0.718 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273017941 818429949 /nfs/dbraw/zinc/42/99/49/818429949.db2.gz FGRNXPZAHASHFW-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095504 818512341 /nfs/dbraw/zinc/51/23/41/818512341.db2.gz YSFYUWXLYWJTPU-HZSPNIEDSA-N 2 0 263.385 0.493 20 30 CCEDRP C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCc3nccn32)C1 ZINC001033151109 818576023 /nfs/dbraw/zinc/57/60/23/818576023.db2.gz IFFNFSYJXDNBQI-UONOGXRCSA-N 2 0 286.379 0.926 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533416 818611287 /nfs/dbraw/zinc/61/12/87/818611287.db2.gz LYKRJHRAJQAQKZ-LBPRGKRZSA-N 2 0 257.353 0.395 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033789890 818934809 /nfs/dbraw/zinc/93/48/09/818934809.db2.gz QZJSSOAOQITRRU-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128783080 819009030 /nfs/dbraw/zinc/00/90/30/819009030.db2.gz FDGJREYSTSHOKE-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647342 819270153 /nfs/dbraw/zinc/27/01/53/819270153.db2.gz FTMJGWOZYXSQMU-KBUPBQIOSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694889 821283993 /nfs/dbraw/zinc/28/39/93/821283993.db2.gz YIVUWVOZKLJQCB-UONOGXRCSA-N 2 0 283.416 0.483 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085032347 821467819 /nfs/dbraw/zinc/46/78/19/821467819.db2.gz CGCKUGGHRSZFKT-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972644 822047661 /nfs/dbraw/zinc/04/76/61/822047661.db2.gz FIIBEEPHHWQWMK-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC001114093872 837435236 /nfs/dbraw/zinc/43/52/36/837435236.db2.gz WOJMMBXPUXIEAD-BARDWOONSA-N 2 0 293.411 0.330 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581300 844045324 /nfs/dbraw/zinc/04/53/24/844045324.db2.gz HMTNZLDMAAVBTE-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363473 836525394 /nfs/dbraw/zinc/52/53/94/836525394.db2.gz GRGWTDBYPBIWJS-AWEZNQCLSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090436384 836781679 /nfs/dbraw/zinc/78/16/79/836781679.db2.gz QDDDSIPDDJZVEI-LSDHHAIUSA-N 2 0 298.346 0.133 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@@](F)(C[NH3+])CC2)CCC[NH2+]1 ZINC001157744521 837377032 /nfs/dbraw/zinc/37/70/32/837377032.db2.gz JTMJBPJMYVECDO-LSDHHAIUSA-N 2 0 281.375 0.811 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656738 837883326 /nfs/dbraw/zinc/88/33/26/837883326.db2.gz ZWMRECOUDPLLCZ-UHFFFAOYSA-N 2 0 256.309 0.595 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196221 837969861 /nfs/dbraw/zinc/96/98/61/837969861.db2.gz KFBAUNNZRKXASV-HNNXBMFYSA-N 2 0 293.411 0.074 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132409743 838388382 /nfs/dbraw/zinc/38/83/82/838388382.db2.gz DNZREUDXLDAAFA-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373734 839231931 /nfs/dbraw/zinc/23/19/31/839231931.db2.gz YIFYEBVCKJWKFT-KGLIPLIRSA-N 2 0 283.416 0.461 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135510665 839278779 /nfs/dbraw/zinc/27/87/79/839278779.db2.gz FESCFLWTUMBWKQ-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP N#Cc1ccc2ncc(N[C@@H]([NH3+])CCC[NH3+])nc2c1 ZINC001170899274 839545806 /nfs/dbraw/zinc/54/58/06/839545806.db2.gz YYZJQSRYBKTIKB-GFCCVEGCSA-N 2 0 256.313 0.937 20 30 CCEDRP N#Cc1ccc2ncnc(N[C@H]([NH3+])CCC[NH3+])c2c1 ZINC001159778821 839572930 /nfs/dbraw/zinc/57/29/30/839572930.db2.gz ASWNKULOCWOSKK-LBPRGKRZSA-N 2 0 256.313 0.937 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246019923 839582397 /nfs/dbraw/zinc/58/23/97/839582397.db2.gz JBNPXOTZVRZKMF-HZSPNIEDSA-N 2 0 254.374 0.304 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001185789144 844460340 /nfs/dbraw/zinc/46/03/40/844460340.db2.gz SNBLUCVBFBEJIE-UONOGXRCSA-N 2 0 274.368 0.591 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160667940 840115217 /nfs/dbraw/zinc/11/52/17/840115217.db2.gz OLRRWPQXRVFKIR-AWEZNQCLSA-N 2 0 284.363 0.348 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091360462 840190049 /nfs/dbraw/zinc/19/00/49/840190049.db2.gz CKCDPCNVUHUILR-CPCZMJQVSA-N 2 0 251.374 0.609 20 30 CCEDRP C=CC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146355947 840293492 /nfs/dbraw/zinc/29/34/92/840293492.db2.gz IVTSFNZZVVOZHJ-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594780 840332359 /nfs/dbraw/zinc/33/23/59/840332359.db2.gz UTCVHGXPRKQCBJ-OLZOCXBDSA-N 2 0 253.390 0.833 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303625 840585633 /nfs/dbraw/zinc/58/56/33/840585633.db2.gz UJKSHHQYILPICM-UHFFFAOYSA-N 2 0 251.374 0.754 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186497170 844555195 /nfs/dbraw/zinc/55/51/95/844555195.db2.gz ZZENXMBTRBIROC-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148651387 840865322 /nfs/dbraw/zinc/86/53/22/840865322.db2.gz DWUNMNXKFIPCHN-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001086863365 840932245 /nfs/dbraw/zinc/93/22/45/840932245.db2.gz ULTUFGWIJNSXEC-UXLLHSPISA-N 2 0 289.423 0.980 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@@H]21 ZINC001036855284 841382294 /nfs/dbraw/zinc/38/22/94/841382294.db2.gz YOTFWNDGRILAFZ-KGLIPLIRSA-N 2 0 286.379 0.898 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036869939 841431343 /nfs/dbraw/zinc/43/13/43/841431343.db2.gz MQULHGCGZZUKCW-CABCVRRESA-N 2 0 287.407 0.638 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439450 842999124 /nfs/dbraw/zinc/99/91/24/842999124.db2.gz PXUNFBDLNJSODV-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138544 843105779 /nfs/dbraw/zinc/10/57/79/843105779.db2.gz ICCDAIBRLDSUAS-IHRRRGAJSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001273467527 843303121 /nfs/dbraw/zinc/30/31/21/843303121.db2.gz UKURJUITXWOUGE-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115081306 843634032 /nfs/dbraw/zinc/63/40/32/843634032.db2.gz PAKGDSBQCFWCBZ-FOLVSLTJSA-N 2 0 295.427 0.577 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229542 843981385 /nfs/dbraw/zinc/98/13/85/843981385.db2.gz MCBJBBRRDSFGFL-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158477 844849781 /nfs/dbraw/zinc/84/97/81/844849781.db2.gz PUTUKFXVPOFJGX-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039354 845779154 /nfs/dbraw/zinc/77/91/54/845779154.db2.gz XZDDTKHEXQFTTI-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001193289891 846045254 /nfs/dbraw/zinc/04/52/54/846045254.db2.gz BEKYIYKBBNOGGZ-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193893066 846176937 /nfs/dbraw/zinc/17/69/37/846176937.db2.gz YJXGLCPEFFLNLU-RBSFLKMASA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002289 846202395 /nfs/dbraw/zinc/20/23/95/846202395.db2.gz QSXPFAIFBRUMCC-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194154692 846223557 /nfs/dbraw/zinc/22/35/57/846223557.db2.gz MRLPKLLLUNPGCN-LSDHHAIUSA-N 2 0 293.411 0.263 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001194155806 846224526 /nfs/dbraw/zinc/22/45/26/846224526.db2.gz VXMRUSFKOJSBOK-HUUCEWRRSA-N 2 0 293.411 0.263 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001194457873 846295114 /nfs/dbraw/zinc/29/51/14/846295114.db2.gz CIGOTWNARLKUBD-ZDUSSCGKSA-N 2 0 260.341 0.439 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829678 846635448 /nfs/dbraw/zinc/63/54/48/846635448.db2.gz UPYAMTMTGKSRBI-HUUCEWRRSA-N 2 0 295.427 0.456 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471206 847130776 /nfs/dbraw/zinc/13/07/76/847130776.db2.gz JHDBOGCXGNITDD-OAHLLOKOSA-N 2 0 295.427 0.462 20 30 CCEDRP COCC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925916 847229934 /nfs/dbraw/zinc/22/99/34/847229934.db2.gz ZNTFOFYIWIRUES-UHFFFAOYSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111809 847234218 /nfs/dbraw/zinc/23/42/18/847234218.db2.gz NAJTZVADJWFSBY-RRFJBIMHSA-N 2 0 297.443 0.843 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(C#N)cn1 ZINC001199670586 847394109 /nfs/dbraw/zinc/39/41/09/847394109.db2.gz PPNDYJKNTFTKDY-UHFFFAOYSA-N 2 0 289.343 0.026 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCCO1 ZINC001200696139 847680564 /nfs/dbraw/zinc/68/05/64/847680564.db2.gz HYKJNVMPNJAVKX-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273881156 847723812 /nfs/dbraw/zinc/72/38/12/847723812.db2.gz KDXMHNQJQJPHGL-ZIAGYGMSSA-N 2 0 295.427 0.313 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335379 847770790 /nfs/dbraw/zinc/77/07/90/847770790.db2.gz NQJVHCXPXAVGQU-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201344616 847772555 /nfs/dbraw/zinc/77/25/55/847772555.db2.gz UOZKBWDDPSIPEE-LSDHHAIUSA-N 2 0 297.443 0.966 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201677867 847801477 /nfs/dbraw/zinc/80/14/77/847801477.db2.gz FSTQFXYEZYCBNU-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059475 847851114 /nfs/dbraw/zinc/85/11/14/847851114.db2.gz PWTVOPBPSNZABY-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049864 847851700 /nfs/dbraw/zinc/85/17/00/847851700.db2.gz RVUOOOQDIHXIPA-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165624 847861265 /nfs/dbraw/zinc/86/12/65/847861265.db2.gz SBXSATCJGIRSJV-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518675 848494943 /nfs/dbraw/zinc/49/49/43/848494943.db2.gz ITQCUIGEPQRVKY-XHPSBEMXSA-N 2 0 295.427 0.484 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274732191 848553962 /nfs/dbraw/zinc/55/39/62/848553962.db2.gz XDDWMOWUAZDCCN-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274936152 848596757 /nfs/dbraw/zinc/59/67/57/848596757.db2.gz CVIRAYCYRMOUQG-AWEZNQCLSA-N 2 0 295.427 0.457 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001275361816 848699079 /nfs/dbraw/zinc/69/90/79/848699079.db2.gz YYHYZAYIHOKKBH-ZDUSSCGKSA-N 2 0 291.399 0.176 20 30 CCEDRP C#CCC[NH2+]CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001276233128 848968298 /nfs/dbraw/zinc/96/82/98/848968298.db2.gz SNNAJBCRDTZQTM-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626384 849334454 /nfs/dbraw/zinc/33/44/54/849334454.db2.gz DXZOIVYLWSQLTB-FOLVSLTJSA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114741634 849383758 /nfs/dbraw/zinc/38/37/58/849383758.db2.gz STBJLPGEABQEIA-WDNDVIMCSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828866 850505945 /nfs/dbraw/zinc/50/59/45/850505945.db2.gz JKSKANJXVVXEDH-HOCLYGCPSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041832424 850509659 /nfs/dbraw/zinc/50/96/59/850509659.db2.gz YHEFALGQGPCYSD-NVXWUHKLSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048719617 852031022 /nfs/dbraw/zinc/03/10/22/852031022.db2.gz BGTBHYROUWIHBI-MJBXVCDLSA-N 2 0 263.385 0.657 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001048890425 852099371 /nfs/dbraw/zinc/09/93/71/852099371.db2.gz HKNSEXZCPAFOKA-HZSPNIEDSA-N 2 0 263.385 0.350 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008980 852138933 /nfs/dbraw/zinc/13/89/33/852138933.db2.gz YGEYHAVFMSRYRN-YHUYYLMFSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058486 852149907 /nfs/dbraw/zinc/14/99/07/852149907.db2.gz DXDXWXBZEIUROU-KFWWJZLASA-N 2 0 275.396 0.352 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054748510 853008338 /nfs/dbraw/zinc/00/83/38/853008338.db2.gz NOJCRYQLFBKDRX-JSGCOSHPSA-N 2 0 263.385 0.540 20 30 CCEDRP CC[C@@H](CC#N)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001255157905 853130782 /nfs/dbraw/zinc/13/07/82/853130782.db2.gz YSEHCOBLTURMPR-LOWDOPEQSA-N 2 0 255.362 0.993 20 30 CCEDRP CCNC(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)=[NH+]CC ZINC000395587550 854334467 /nfs/dbraw/zinc/33/44/67/854334467.db2.gz ZADAKFAXKYGDLL-NWDGAFQWSA-N 2 0 254.378 0.425 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072983095 854508133 /nfs/dbraw/zinc/50/81/33/854508133.db2.gz LAIWOFLGBLSVFI-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073128030 854534774 /nfs/dbraw/zinc/53/47/74/854534774.db2.gz OPJYYLBWSVHOQZ-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899698 855024557 /nfs/dbraw/zinc/02/45/57/855024557.db2.gz XBSGJYPCMNNMDZ-KGLIPLIRSA-N 2 0 295.427 0.291 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971567 855055533 /nfs/dbraw/zinc/05/55/33/855055533.db2.gz JWQONOCUDBQXBD-KBPBESRZSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124738 855102032 /nfs/dbraw/zinc/10/20/32/855102032.db2.gz MOKJGYSKBWNZAQ-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890420 855236587 /nfs/dbraw/zinc/23/65/87/855236587.db2.gz ZOJJNIRWPOJNMX-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285095 855623972 /nfs/dbraw/zinc/62/39/72/855623972.db2.gz LMTNOBYGTAZDDR-ZOBUZTSGSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125753 855643750 /nfs/dbraw/zinc/64/37/50/855643750.db2.gz BPPBPCDQIJQAPB-FOLVSLTJSA-N 2 0 295.427 0.577 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001119842148 856894480 /nfs/dbraw/zinc/89/44/80/856894480.db2.gz YFKIRKOUYYXLNH-UHFFFAOYSA-N 2 0 298.350 0.954 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001324081741 912659064 /nfs/dbraw/zinc/65/90/64/912659064.db2.gz PWALODGTQKKFFF-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC#C)CC1 ZINC001324441205 912846298 /nfs/dbraw/zinc/84/62/98/912846298.db2.gz LUHQELWSYHXLSV-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001481054699 892117039 /nfs/dbraw/zinc/11/70/39/892117039.db2.gz QPQDUBOCPZCPJG-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481070096 892128545 /nfs/dbraw/zinc/12/85/45/892128545.db2.gz MKTVTWYPAQNXAE-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001481708422 893059839 /nfs/dbraw/zinc/05/98/39/893059839.db2.gz NPPGDGXMFRVLFC-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738675 893105211 /nfs/dbraw/zinc/10/52/11/893105211.db2.gz NVLATPWCENVPAA-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001355187249 894117344 /nfs/dbraw/zinc/11/73/44/894117344.db2.gz QDQSGYQAYQRWRH-JSGCOSHPSA-N 2 0 264.373 0.752 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001482744697 894562593 /nfs/dbraw/zinc/56/25/93/894562593.db2.gz AKFTXFUADPRSFS-ZIAGYGMSSA-N 2 0 283.416 0.360 20 30 CCEDRP COCC#CC[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482890772 894675279 /nfs/dbraw/zinc/67/52/79/894675279.db2.gz JRUJAHZLOALPLN-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484081819 896184717 /nfs/dbraw/zinc/18/47/17/896184717.db2.gz BNHMRYJROGPLDL-GDBMZVCRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484126109 896202846 /nfs/dbraw/zinc/20/28/46/896202846.db2.gz TUSQKPKPBKHHPZ-ZFWWWQNUSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484126104 896203354 /nfs/dbraw/zinc/20/33/54/896203354.db2.gz TUSQKPKPBKHHPZ-HIFRSBDPSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484450612 896409816 /nfs/dbraw/zinc/40/98/16/896409816.db2.gz UBQIPIIVQCOTKR-ZFWWWQNUSA-N 2 0 281.400 0.067 20 30 CCEDRP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484446685 896415523 /nfs/dbraw/zinc/41/55/23/896415523.db2.gz TVUGBQMSWXZRQV-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CCC ZINC001484763700 896582374 /nfs/dbraw/zinc/58/23/74/896582374.db2.gz BWHLJCYCNKNXDR-UHFFFAOYSA-N 2 0 253.390 0.742 20 30 CCEDRP CC#CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001485110307 896788831 /nfs/dbraw/zinc/78/88/31/896788831.db2.gz DMUVTPABPCWYDN-UHFFFAOYSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001492857991 914119401 /nfs/dbraw/zinc/11/94/01/914119401.db2.gz UDRZPFYYQCTPBK-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CCN1CCC2(CC[NH+](Cc3cnccc3N)CC2)C1=O ZINC001272808276 897753553 /nfs/dbraw/zinc/75/35/53/897753553.db2.gz NPINXIVSWNDECT-UHFFFAOYSA-N 2 0 298.390 0.942 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001280628365 899900861 /nfs/dbraw/zinc/90/08/61/899900861.db2.gz JOVKXEICSLQNIS-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001095038488 899934843 /nfs/dbraw/zinc/93/48/43/899934843.db2.gz BSJWDOLELBKBIN-ZNMIVQPWSA-N 2 0 287.407 0.685 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001488848970 900393961 /nfs/dbraw/zinc/39/39/61/900393961.db2.gz HXKHELCQCSAVOX-SHTZXODSSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001280681617 900919839 /nfs/dbraw/zinc/91/98/39/900919839.db2.gz KFHKOXMFZVJFFG-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001327082351 902028704 /nfs/dbraw/zinc/02/87/04/902028704.db2.gz RWZWJTMNXFTCHZ-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCN(C)CCF)CC1 ZINC001492873618 914688500 /nfs/dbraw/zinc/68/85/00/914688500.db2.gz NAQKWOCRUSWBBI-UHFFFAOYSA-N 2 0 269.364 0.349 20 30 CCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001329550160 903807530 /nfs/dbraw/zinc/80/75/30/903807530.db2.gz PNRQKADXTZBVKT-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283189963 904743054 /nfs/dbraw/zinc/74/30/54/904743054.db2.gz BTINEVNQRFWOFT-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284246141 905217133 /nfs/dbraw/zinc/21/71/33/905217133.db2.gz NQLKZEHWLMGEJW-UONOGXRCSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001284416796 905279998 /nfs/dbraw/zinc/27/99/98/905279998.db2.gz PZPKYIXEABBLQX-ZDUSSCGKSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001491812113 907615716 /nfs/dbraw/zinc/61/57/16/907615716.db2.gz ISSHXXGNIJGGIS-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCN2CCOCC2)C1 ZINC001317359752 908179268 /nfs/dbraw/zinc/17/92/68/908179268.db2.gz OVLFANNTJBJQRU-LSDHHAIUSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001316863070 908510468 /nfs/dbraw/zinc/51/04/68/908510468.db2.gz OXQRKTIWTSEBSJ-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)NCC1CC[NH+](C)CC1 ZINC001313438365 908665349 /nfs/dbraw/zinc/66/53/49/908665349.db2.gz LMPOBPKPJVWZNM-UHFFFAOYSA-N 2 0 266.389 0.192 20 30 CCEDRP C#CCN1CC[NH+](CCCNC(=O)CCC[NH+](C)C)CC1 ZINC001316959339 908867656 /nfs/dbraw/zinc/86/76/56/908867656.db2.gz HTKQYANTTFYBEQ-UHFFFAOYSA-N 2 0 294.443 0.085 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317091041 908973824 /nfs/dbraw/zinc/97/38/24/908973824.db2.gz IQQBIJCRCDXJCQ-RBSFLKMASA-N 2 0 295.427 0.459 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317405342 909180138 /nfs/dbraw/zinc/18/01/38/909180138.db2.gz IZSVNDDEKYIOCM-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317414139 909185127 /nfs/dbraw/zinc/18/51/27/909185127.db2.gz MDUPSGKWEMJQCI-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C#C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC001338534103 921501726 /nfs/dbraw/zinc/50/17/26/921501726.db2.gz KHZICSHOWCGDAP-KGLIPLIRSA-N 2 0 267.417 0.232 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001319101630 909984478 /nfs/dbraw/zinc/98/44/78/909984478.db2.gz CVMDFRKLMRJBBL-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C[C@@H](COC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001320439408 910674325 /nfs/dbraw/zinc/67/43/25/910674325.db2.gz MSIXIJXEBGNQGI-ZDUSSCGKSA-N 2 0 286.420 0.322 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001320445735 910676963 /nfs/dbraw/zinc/67/69/63/910676963.db2.gz ITOSUWIOUBGWCA-CQSZACIVSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001320827355 910893343 /nfs/dbraw/zinc/89/33/43/910893343.db2.gz VCCLKJGXQQKTEK-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC)CC1 ZINC001321418408 911291615 /nfs/dbraw/zinc/29/16/15/911291615.db2.gz ZNMWBXIRLCCZPG-WAYWQWQTSA-N 2 0 263.385 0.614 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001321663580 911430282 /nfs/dbraw/zinc/43/02/82/911430282.db2.gz RLONWUHIKPQVMO-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001323016635 912071547 /nfs/dbraw/zinc/07/15/47/912071547.db2.gz XUJXWBPKFGDCFT-OAHLLOKOSA-N 2 0 277.412 0.978 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC1CC[NH2+]CC1 ZINC001328846782 915472035 /nfs/dbraw/zinc/47/20/35/915472035.db2.gz UEINGCRCDPKLEV-LBPRGKRZSA-N 2 0 252.362 0.513 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC001329099409 915668613 /nfs/dbraw/zinc/66/86/13/915668613.db2.gz KHMGSBOMIIGJJA-LBPRGKRZSA-N 2 0 252.362 0.595 20 30 CCEDRP CCC1([NH3+])CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001331417958 917317999 /nfs/dbraw/zinc/31/79/99/917317999.db2.gz AYFCFFUWBDFGJR-UHFFFAOYSA-N 2 0 263.385 0.719 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331530583 917401736 /nfs/dbraw/zinc/40/17/36/917401736.db2.gz BMVYNYVCDUPRAP-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001336752513 920982639 /nfs/dbraw/zinc/98/26/39/920982639.db2.gz XZHSVCFOMNSIOM-OAHLLOKOSA-N 2 0 294.443 0.658 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC001340115010 921963792 /nfs/dbraw/zinc/96/37/92/921963792.db2.gz ZQQZETZDUZWTIL-GJZGRUSLSA-N 2 0 296.459 0.812 20 30 CCEDRP C#CC[NH2+]CC(=O)NCCN1Cc2ccccc2C1 ZINC001340190894 922005805 /nfs/dbraw/zinc/00/58/05/922005805.db2.gz ODMCXJSHOLSWBI-UHFFFAOYSA-N 2 0 257.337 0.341 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC001341710705 922636600 /nfs/dbraw/zinc/63/66/00/922636600.db2.gz GEJRIDRNHJGHNF-FZMZJTMJSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCC[NH2+]1 ZINC001342110889 922810231 /nfs/dbraw/zinc/81/02/31/922810231.db2.gz HJSCMZZYEJFPJS-RISCZKNCSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001342340172 922918554 /nfs/dbraw/zinc/91/85/54/922918554.db2.gz SXCLTCJRKLOBSQ-KGLIPLIRSA-N 2 0 295.427 0.945 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343034673 923166101 /nfs/dbraw/zinc/16/61/01/923166101.db2.gz SHVCVFGLNOPCDK-PWSUYJOCSA-N 2 0 257.765 0.811 20 30 CCEDRP N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC001345543342 923916785 /nfs/dbraw/zinc/91/67/85/923916785.db2.gz QGGLCLMBBJMNEX-YNEHKIRRSA-N 2 0 264.373 0.466 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001349823700 925072098 /nfs/dbraw/zinc/07/20/98/925072098.db2.gz OLUNANNWQNDLJT-CQSZACIVSA-N 2 0 296.415 0.361 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001353470111 925843347 /nfs/dbraw/zinc/84/33/47/925843347.db2.gz XDTJAELZQXDPRR-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C[NH2+][C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC001358170677 926649487 /nfs/dbraw/zinc/64/94/87/926649487.db2.gz PWBBSTSSPNLPKH-HUUCEWRRSA-N 2 0 288.395 0.954 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000592135869 359762505 /nfs/dbraw/zinc/76/25/05/359762505.db2.gz JDDSARFDPOKKBJ-CHWSQXEVSA-N 2 0 264.373 0.608 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594437434 360305998 /nfs/dbraw/zinc/30/59/98/360305998.db2.gz JSXGEXWYGIZPGO-KBPBESRZSA-N 2 0 278.400 0.998 20 30 CCEDRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426098 360300698 /nfs/dbraw/zinc/30/06/98/360300698.db2.gz MXXLVZCEQJUDAZ-LBPRGKRZSA-N 2 0 254.378 0.902 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C[NH3+] ZINC000594428012 360302416 /nfs/dbraw/zinc/30/24/16/360302416.db2.gz YWTFHCAJKABMMV-JHJVBQTASA-N 2 0 266.389 0.983 20 30 CCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435713 360304581 /nfs/dbraw/zinc/30/45/81/360304581.db2.gz IRHLNONQMNWAKE-QWRGUYRKSA-N 2 0 252.362 0.654 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436653 360305911 /nfs/dbraw/zinc/30/59/11/360305911.db2.gz PFDWYGXTNWONRZ-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437918 360307252 /nfs/dbraw/zinc/30/72/52/360307252.db2.gz LMKNDXZCKXEFIK-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437923 360307585 /nfs/dbraw/zinc/30/75/85/360307585.db2.gz LMKNDXZCKXEFIK-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000594444397 360311875 /nfs/dbraw/zinc/31/18/75/360311875.db2.gz QWHFMLROYSUCNL-GARJFASQSA-N 2 0 256.325 0.214 20 30 CCEDRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(C#N)cnn1C ZINC000596363606 360885106 /nfs/dbraw/zinc/88/51/06/360885106.db2.gz SSLSRGZCEIIATJ-LBPRGKRZSA-N 2 0 278.404 0.976 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188439 388954853 /nfs/dbraw/zinc/95/48/53/388954853.db2.gz UYHBBNYQGWUPHF-UHFFFAOYSA-N 2 0 268.361 0.059 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000109850310 389101072 /nfs/dbraw/zinc/10/10/72/389101072.db2.gz WCOXUYGCRMUGND-ZDUSSCGKSA-N 2 0 263.385 0.400 20 30 CCEDRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330609081 389246353 /nfs/dbraw/zinc/24/63/53/389246353.db2.gz RKBQSOCMKXCRLT-NSHDSACASA-N 2 0 284.404 0.699 20 30 CCEDRP CC#CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000156480141 389326094 /nfs/dbraw/zinc/32/60/94/389326094.db2.gz XOBPPDXXDIRWFO-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152436975 389290431 /nfs/dbraw/zinc/29/04/31/389290431.db2.gz REKXIXYQDWBBJF-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCc2ccnc(OCC[NH+](C)C)c2)N1 ZINC000262630315 389291354 /nfs/dbraw/zinc/29/13/54/389291354.db2.gz FPLXJXSWDZVKOW-LLVKDONJSA-N 2 0 277.372 0.459 20 30 CCEDRP C[NH+]=C(NCCC[NH+]1CCC(O)CC1)NCc1ccco1 ZINC000264065967 389304040 /nfs/dbraw/zinc/30/40/40/389304040.db2.gz QQCKCQXOGDBEFS-UHFFFAOYSA-N 2 0 294.399 0.791 20 30 CCEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)NCc1ccco1 ZINC000264042123 389304047 /nfs/dbraw/zinc/30/40/47/389304047.db2.gz JCBCGCPXRNGKOV-UHFFFAOYSA-N 2 0 293.415 0.582 20 30 CCEDRP CCCNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264079636 389304975 /nfs/dbraw/zinc/30/49/75/389304975.db2.gz GUPGQHALWJNDBI-OAHLLOKOSA-N 2 0 290.411 0.720 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(C)c1 ZINC000264128159 389307758 /nfs/dbraw/zinc/30/77/58/389307758.db2.gz WXVAHAHDKKFRGK-LBPRGKRZSA-N 2 0 264.377 0.309 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442774487 389862618 /nfs/dbraw/zinc/86/26/18/389862618.db2.gz AKMDRBIYTSAUTD-MGPQQGTHSA-N 2 0 250.390 0.904 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000491255847 390111116 /nfs/dbraw/zinc/11/11/16/390111116.db2.gz YFSIWRDTWRUUJC-OAHLLOKOSA-N 2 0 294.443 0.973 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000562513036 390489897 /nfs/dbraw/zinc/48/98/97/390489897.db2.gz LCAWRDHNIDFWKE-KGLIPLIRSA-N 2 0 283.416 0.529 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC(C[NH3+])CC2)CCC[NH2+]1 ZINC000662394857 414714055 /nfs/dbraw/zinc/71/40/55/414714055.db2.gz OTMCMHFDWBHORI-CQSZACIVSA-N 2 0 251.374 0.882 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662691700 414741707 /nfs/dbraw/zinc/74/17/07/414741707.db2.gz HYZZGZLGZAQNMW-TZMCWYRMSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CCCC[C@H]1CC[NH3+] ZINC000070149930 260152621 /nfs/dbraw/zinc/15/26/21/260152621.db2.gz AUTDTKRCIMIPMQ-NSHDSACASA-N 2 0 268.361 0.202 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000129996069 260391870 /nfs/dbraw/zinc/39/18/70/260391870.db2.gz HSCCOGZTDYGHMS-UHFFFAOYSA-N 2 0 282.388 0.320 20 30 CCEDRP C[NH+]=C(NCCn1cccc1)NC[C@H]1CCC[N@@H+]1C ZINC000153236695 261075799 /nfs/dbraw/zinc/07/57/99/261075799.db2.gz VYTXUNVGGPADHJ-CYBMUJFWSA-N 2 0 263.389 0.747 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000491810864 262087408 /nfs/dbraw/zinc/08/74/08/262087408.db2.gz ALXVMGJNAYIXQA-CHWSQXEVSA-N 2 0 266.389 0.320 20 30 CCEDRP CCn1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000285003104 263089162 /nfs/dbraw/zinc/08/91/62/263089162.db2.gz IEOSICCAGAEKIQ-ZDUSSCGKSA-N 2 0 278.404 0.792 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)CC1(O)CCC1)CC1(O)CCC1 ZINC000341912002 263365841 /nfs/dbraw/zinc/36/58/41/263365841.db2.gz PHJANPBLSOKRSA-UHFFFAOYSA-N 2 0 280.412 0.683 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)NC[C@@H]1CCCO1 ZINC000072718099 264270647 /nfs/dbraw/zinc/27/06/47/264270647.db2.gz KJDXWGMXLNPVTJ-LBPRGKRZSA-N 2 0 254.378 0.426 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000376720332 268011305 /nfs/dbraw/zinc/01/13/05/268011305.db2.gz OGNMSRVUFYKKJL-ZDUSSCGKSA-N 2 0 255.337 0.455 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000262114635 328145168 /nfs/dbraw/zinc/14/51/68/328145168.db2.gz KXHRBAPMAGLTNV-GXTWGEPZSA-N 2 0 290.415 0.893 20 30 CCEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1cc(F)ccc1F ZINC000262303030 328148298 /nfs/dbraw/zinc/14/82/98/328148298.db2.gz QSDQDYCPONNSBT-NSHDSACASA-N 2 0 295.337 0.691 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000576339863 327028793 /nfs/dbraw/zinc/02/87/93/327028793.db2.gz ZQWVMNDSCVDZJF-RRFJBIMHSA-N 2 0 282.432 0.655 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000584294055 327224403 /nfs/dbraw/zinc/22/44/03/327224403.db2.gz AVWBDMMFOUTBEP-AWEZNQCLSA-N 2 0 251.374 0.895 20 30 CCEDRP CC1CCN(C(=[NH2+])NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000171145572 329074688 /nfs/dbraw/zinc/07/46/88/329074688.db2.gz FMDRAGHJDUSHEL-CQSZACIVSA-N 2 0 282.432 0.880 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)N2CCOCC2)CCO1 ZINC000262423330 330009492 /nfs/dbraw/zinc/00/94/92/330009492.db2.gz BTTOUZDZIVNDFI-GFCCVEGCSA-N 2 0 284.404 0.133 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262434035 330010481 /nfs/dbraw/zinc/01/04/81/330010481.db2.gz FUBOQIYZFDCCSF-NEPJUHHUSA-N 2 0 254.378 0.506 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000262798704 330032335 /nfs/dbraw/zinc/03/23/35/330032335.db2.gz QIKQCCCZTHUGBZ-CYBMUJFWSA-N 2 0 297.447 0.048 20 30 CCEDRP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262817488 330033757 /nfs/dbraw/zinc/03/37/57/330033757.db2.gz XGTIQOYHXGJQKB-CQSZACIVSA-N 2 0 292.427 0.813 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424172728 330312788 /nfs/dbraw/zinc/31/27/88/330312788.db2.gz DHULQMHSJJGHOC-VXGBXAGGSA-N 2 0 252.362 0.560 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000424197784 330326115 /nfs/dbraw/zinc/32/61/15/330326115.db2.gz OQVTYKBTANYDGC-RYUDHWBXSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000490897874 332126693 /nfs/dbraw/zinc/12/66/93/332126693.db2.gz GHGQNBRKSVXRPP-ZIAGYGMSSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000491069169 332145242 /nfs/dbraw/zinc/14/52/42/332145242.db2.gz UCKBZVZPQXBVAZ-QLFBSQMISA-N 2 0 293.411 0.309 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000491203857 332165564 /nfs/dbraw/zinc/16/55/64/332165564.db2.gz ZZTKSHDPNOWBNL-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000491203847 332165769 /nfs/dbraw/zinc/16/57/69/332165769.db2.gz ZVINUPWNEYEIRQ-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491631328 332254037 /nfs/dbraw/zinc/25/40/37/332254037.db2.gz NYOGILAVBAUSMX-UKRRQHHQSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000491703246 332297012 /nfs/dbraw/zinc/29/70/12/332297012.db2.gz NKFGHIDPDBQFCW-CABCVRRESA-N 2 0 293.411 0.093 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000491729145 332311658 /nfs/dbraw/zinc/31/16/58/332311658.db2.gz NHJFZAZBESZRFT-AWEZNQCLSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000491773006 332338992 /nfs/dbraw/zinc/33/89/92/332338992.db2.gz AUYUCXNDLLBRJZ-UHFFFAOYSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+](C)C ZINC000491812035 332364278 /nfs/dbraw/zinc/36/42/78/332364278.db2.gz GEOUGLDKHMCVRH-UHFFFAOYSA-N 2 0 254.378 0.145 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000063780673 333561030 /nfs/dbraw/zinc/56/10/30/333561030.db2.gz AZGHFVFGCLTOLO-HNNXBMFYSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000334994952 526476305 /nfs/dbraw/zinc/47/63/05/526476305.db2.gz BUJPRPSGIVZXMI-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000685188879 545801615 /nfs/dbraw/zinc/80/16/15/545801615.db2.gz UKDDQOQCTOYDNR-AWEZNQCLSA-N 2 0 283.416 0.313 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000747404120 581938914 /nfs/dbraw/zinc/93/89/14/581938914.db2.gz GKSWBNYSDWMGLU-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863588690 613052583 /nfs/dbraw/zinc/05/25/83/613052583.db2.gz DALCPZBJFHQVLB-ZIAGYGMSSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922630277 613076980 /nfs/dbraw/zinc/07/69/80/613076980.db2.gz OYRLISPIBVMYSA-OLZOCXBDSA-N 2 0 266.389 0.333 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876730742 613388036 /nfs/dbraw/zinc/38/80/36/613388036.db2.gz KSUUGUVXJCGBOZ-MNOVXSKESA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000877030178 613389070 /nfs/dbraw/zinc/38/90/70/613389070.db2.gz ZXUUNPRTUGIRQQ-JTQLQIEISA-N 2 0 263.769 0.151 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000876727694 613390229 /nfs/dbraw/zinc/39/02/29/613390229.db2.gz QXXYNRRKANWOEY-QWRGUYRKSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000876871167 613390480 /nfs/dbraw/zinc/39/04/80/613390480.db2.gz URAWQHVYBZKRIY-UWVGGRQHSA-N 2 0 259.781 0.961 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000965922969 612954202 /nfs/dbraw/zinc/95/42/02/612954202.db2.gz QGSCZXQXUWVSFY-UHFFFAOYSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000965063114 612954576 /nfs/dbraw/zinc/95/45/76/612954576.db2.gz JWIBISPVNDNDND-BSTUBKLYSA-N 2 0 289.423 0.834 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000969950757 612960763 /nfs/dbraw/zinc/96/07/63/612960763.db2.gz JMEBYIMNRSSZRA-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019886 612974956 /nfs/dbraw/zinc/97/49/56/612974956.db2.gz UXTZYFJAILTFTB-HUUCEWRRSA-N 2 0 279.428 0.988 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970365366 612996487 /nfs/dbraw/zinc/99/64/87/612996487.db2.gz AUCPXJSPVZLBRT-ZDUSSCGKSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982150355 613000022 /nfs/dbraw/zinc/00/00/22/613000022.db2.gz CHNFVDNMCKQJJX-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000981957900 613002716 /nfs/dbraw/zinc/00/27/16/613002716.db2.gz ZLFMNMJYUITLLN-HNNXBMFYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCSCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000899159926 613011000 /nfs/dbraw/zinc/01/10/00/613011000.db2.gz YDRFAMPJOSSJBA-ZIAGYGMSSA-N 2 0 297.468 0.551 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549812 613015039 /nfs/dbraw/zinc/01/50/39/613015039.db2.gz YKQKVOCUAKPWCG-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC000958415377 613043548 /nfs/dbraw/zinc/04/35/48/613043548.db2.gz UJVVXCJGLUTLRM-RFQIPJPRSA-N 2 0 261.369 0.150 20 30 CCEDRP C#CCN(C(=O)NC[C@H]1CC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC000924023426 613067337 /nfs/dbraw/zinc/06/73/37/613067337.db2.gz XOVMXWUZDGOBKP-OAHLLOKOSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000841910477 613073699 /nfs/dbraw/zinc/07/36/99/613073699.db2.gz RIDIJJQZRLQKRP-UHFFFAOYSA-N 2 0 292.427 0.727 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000895056120 613075221 /nfs/dbraw/zinc/07/52/21/613075221.db2.gz CJHKNFDNVYOFEP-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000892787292 613131614 /nfs/dbraw/zinc/13/16/14/613131614.db2.gz ZQVFCNSNNFKDKU-KRWDZBQOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000830162367 613132945 /nfs/dbraw/zinc/13/29/45/613132945.db2.gz JLUOJTHOHLEDAV-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000969144368 613145982 /nfs/dbraw/zinc/14/59/82/613145982.db2.gz KMVXCOIAJLTIQW-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818621435 613197399 /nfs/dbraw/zinc/19/73/99/613197399.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 0 263.385 0.635 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891520180 613304286 /nfs/dbraw/zinc/30/42/86/613304286.db2.gz FPZGSHQQWYRNKU-KBPBESRZSA-N 2 0 278.400 0.783 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978434306 613308033 /nfs/dbraw/zinc/30/80/33/613308033.db2.gz YAUOCIICRMRLDM-QKDCVEJESA-N 2 0 287.407 0.542 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000961561884 613316887 /nfs/dbraw/zinc/31/68/87/613316887.db2.gz XQNPVTJOENBWMQ-CAOSSQGBSA-N 2 0 289.423 0.788 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000911596188 613363954 /nfs/dbraw/zinc/36/39/54/613363954.db2.gz UGOPTKJYIBQPRB-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000900629852 613364860 /nfs/dbraw/zinc/36/48/60/613364860.db2.gz CITZHJRYNWFFSA-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000854641855 613366048 /nfs/dbraw/zinc/36/60/48/613366048.db2.gz GBTLXCMFPZSRMW-UONOGXRCSA-N 2 0 281.400 0.426 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@@H+](C)CCCOC ZINC000764578681 613366409 /nfs/dbraw/zinc/36/64/09/613366409.db2.gz WYRBWDXNWQGKLX-UHFFFAOYSA-N 2 0 257.378 0.189 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000876843885 613389681 /nfs/dbraw/zinc/38/96/81/613389681.db2.gz SMAZCZIGQIIOJT-NSHDSACASA-N 2 0 289.807 0.589 20 30 CCEDRP C=CC[C@H](C)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000883437474 613413130 /nfs/dbraw/zinc/41/31/30/613413130.db2.gz STSSLZUWJTYTQW-ZDUSSCGKSA-N 2 0 266.389 0.594 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC000970372246 613535426 /nfs/dbraw/zinc/53/54/26/613535426.db2.gz PDCXBYCFUYKUCS-ZDUSSCGKSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978982306 613628290 /nfs/dbraw/zinc/62/82/90/613628290.db2.gz HEFZFOMMEPCUSV-QKDCVEJESA-N 2 0 287.407 0.400 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000969675880 613662829 /nfs/dbraw/zinc/66/28/29/613662829.db2.gz BSGAFQXOGKOILV-IUODEOHRSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932140402 613674329 /nfs/dbraw/zinc/67/43/29/613674329.db2.gz AJNRLJGHLHDABN-UHFFFAOYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000891521211 613674943 /nfs/dbraw/zinc/67/49/43/613674943.db2.gz FDBHKSIVNFLQSG-VXGBXAGGSA-N 2 0 266.389 0.768 20 30 CCEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215894 613824308 /nfs/dbraw/zinc/82/43/08/613824308.db2.gz YIGNOUXVPAPSGZ-KBPBESRZSA-N 2 0 293.411 0.210 20 30 CCEDRP C=CCNC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000925978095 613846893 /nfs/dbraw/zinc/84/68/93/613846893.db2.gz AEVVZMGTAHUANE-AGUYFDCRSA-N 2 0 281.400 0.520 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496715 613851105 /nfs/dbraw/zinc/85/11/05/613851105.db2.gz ZSMWAPODNLPZKL-IJLUTSLNSA-N 2 0 282.388 0.303 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000969099039 613864670 /nfs/dbraw/zinc/86/46/70/613864670.db2.gz KIMXLVPXZNJAHB-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CCONC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000838705389 613883319 /nfs/dbraw/zinc/88/33/19/613883319.db2.gz AVBBMKRAPWTHCN-UHFFFAOYSA-N 2 0 258.366 0.239 20 30 CCEDRP CC(C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCCCC1 ZINC000844194326 614191934 /nfs/dbraw/zinc/19/19/34/614191934.db2.gz DNRCXHJFYMPRAZ-HZSPNIEDSA-N 2 0 278.400 0.725 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972091 614342010 /nfs/dbraw/zinc/34/20/10/614342010.db2.gz QUGNHWDCOIXPIM-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP CC1(C)CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH2+]C1 ZINC000877153529 614574373 /nfs/dbraw/zinc/57/43/73/614574373.db2.gz IAOZWMIMDXBWQW-VXGBXAGGSA-N 2 0 266.389 0.902 20 30 CCEDRP CC1(CNC(=O)C#CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000852875912 614894448 /nfs/dbraw/zinc/89/44/48/614894448.db2.gz SWOAQOZDZKVULH-UHFFFAOYSA-N 2 0 263.385 0.495 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884246592 615013865 /nfs/dbraw/zinc/01/38/65/615013865.db2.gz UHELPQDEAHRXBB-MYMJJRTCSA-N 2 0 290.411 0.726 20 30 CCEDRP CCN(CCC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884317995 615042121 /nfs/dbraw/zinc/04/21/21/615042121.db2.gz IZHIMYWMJDIOKT-NPCAHTBFSA-N 2 0 292.427 0.926 20 30 CCEDRP CC[N@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852864836 615047767 /nfs/dbraw/zinc/04/77/67/615047767.db2.gz JIZKKQWHDDYSDP-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP CCOCCCNC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000104181678 615241594 /nfs/dbraw/zinc/24/15/94/615241594.db2.gz LKMYWITWPMYIRV-UHFFFAOYSA-N 2 0 256.394 0.659 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000913521451 615859596 /nfs/dbraw/zinc/85/95/96/615859596.db2.gz ZUZOCNVDABJQDJ-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H]1C[NH+](C)C ZINC000870020915 615928668 /nfs/dbraw/zinc/92/86/68/615928668.db2.gz IHTPPIGXJIVEDB-ZIAGYGMSSA-N 2 0 292.427 0.878 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852885752 615975283 /nfs/dbraw/zinc/97/52/83/615975283.db2.gz YYYRFSVKIVXPOP-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000852875156 616171008 /nfs/dbraw/zinc/17/10/08/616171008.db2.gz FVUNYEJGMQZYQK-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834504435 616181061 /nfs/dbraw/zinc/18/10/61/616181061.db2.gz BBHQWGNCGHWGCK-JHJVBQTASA-N 2 0 264.373 0.479 20 30 CCEDRP COCCN(CC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884771 617014086 /nfs/dbraw/zinc/01/40/86/617014086.db2.gz KKXOOOLTNWCQMA-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139699 625341252 /nfs/dbraw/zinc/34/12/52/625341252.db2.gz LBBQZUOJOVUTGP-RFBLXINOSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001023272804 622973102 /nfs/dbraw/zinc/97/31/02/622973102.db2.gz DUGNVTUCIBCVRE-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744879 623125894 /nfs/dbraw/zinc/12/58/94/623125894.db2.gz WICKPWHFMHJIQI-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001026894265 625654427 /nfs/dbraw/zinc/65/44/27/625654427.db2.gz YYFILDMYAWYEAU-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006920357 623493512 /nfs/dbraw/zinc/49/35/12/623493512.db2.gz YCLYJOLLZGHXIY-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001021094093 624657927 /nfs/dbraw/zinc/65/79/27/624657927.db2.gz LFICWKXVMRFFEH-IHRRRGAJSA-N 2 0 263.385 0.731 20 30 CCEDRP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027805711 630935137 /nfs/dbraw/zinc/93/51/37/630935137.db2.gz AVZYPRGAALNTBJ-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261976671 631740570 /nfs/dbraw/zinc/74/05/70/631740570.db2.gz NVNRPOJNKYTSKK-BXKDBHETSA-N 2 0 292.387 0.526 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000987257921 632849604 /nfs/dbraw/zinc/84/96/04/632849604.db2.gz ZPUAUYQLKCZJDV-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797167 633355940 /nfs/dbraw/zinc/35/59/40/633355940.db2.gz WILHGZOBZUZNFU-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759468 637842691 /nfs/dbraw/zinc/84/26/91/637842691.db2.gz LDIVKNWHMJCRSL-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616478 638824417 /nfs/dbraw/zinc/82/44/17/638824417.db2.gz SGVDCRZCJASGRC-STQMWFEESA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000996653042 638825964 /nfs/dbraw/zinc/82/59/64/638825964.db2.gz XSQSCSLCZBPERO-UHFFFAOYSA-N 2 0 260.341 0.556 20 30 CCEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000997337440 638863052 /nfs/dbraw/zinc/86/30/52/638863052.db2.gz TXDSQHKCROHXNE-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998557158 638927407 /nfs/dbraw/zinc/92/74/07/638927407.db2.gz QLJKXDWDONIIFS-WXRRBKDZSA-N 2 0 251.374 0.846 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000999207181 638967677 /nfs/dbraw/zinc/96/76/77/638967677.db2.gz KCSHYYIHAIHZAP-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999379521 638977511 /nfs/dbraw/zinc/97/75/11/638977511.db2.gz ZBOBKACZDQVXQZ-KBPBESRZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001001537679 639314498 /nfs/dbraw/zinc/31/44/98/639314498.db2.gz AQQXDFGTXZVCCD-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001015091757 650527405 /nfs/dbraw/zinc/52/74/05/650527405.db2.gz YGFVDBBWOXIGKD-CQSZACIVSA-N 2 0 275.396 0.829 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001015610976 650591403 /nfs/dbraw/zinc/59/14/03/650591403.db2.gz CBEIXSWMFMKJRY-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C[C@H](C#N)OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000801915316 640672636 /nfs/dbraw/zinc/67/26/36/640672636.db2.gz PUUMAGLWDOQLBX-CQSZACIVSA-N 2 0 281.400 0.959 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000834485638 642578342 /nfs/dbraw/zinc/57/83/42/642578342.db2.gz ZQJACAQLYNVGSS-OSAQELSMSA-N 2 0 297.362 0.265 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848429185 643637511 /nfs/dbraw/zinc/63/75/11/643637511.db2.gz MJTMBCNAWFREHQ-JSGCOSHPSA-N 2 0 264.373 0.752 20 30 CCEDRP C[C@@H](C#N)OCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707792 643989390 /nfs/dbraw/zinc/98/93/90/643989390.db2.gz KXZQRTJXBBQUSA-JSGCOSHPSA-N 2 0 267.373 0.446 20 30 CCEDRP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000852864705 644030671 /nfs/dbraw/zinc/03/06/71/644030671.db2.gz FJLFGRHWCGIPLF-GFCCVEGCSA-N 2 0 263.385 0.588 20 30 CCEDRP COC1CC[NH+](CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852869341 644033014 /nfs/dbraw/zinc/03/30/14/644033014.db2.gz CTSJETKUGSYRAO-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP [NH3+][C@@H]1CCc2ncc(NC(=O)C#CC3CC[NH2+]CC3)cc2C1 ZINC000852875466 644036340 /nfs/dbraw/zinc/03/63/40/644036340.db2.gz XASNQIOFVPJHFH-CQSZACIVSA-N 2 0 298.390 0.839 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000852879324 644038893 /nfs/dbraw/zinc/03/88/93/644038893.db2.gz UXEKAODCXVPSPA-INIZCTEOSA-N 2 0 275.396 0.592 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001019037312 650932741 /nfs/dbraw/zinc/93/27/41/650932741.db2.gz CRXLDVPGTYVQCD-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C[C@](C[NH3+])(NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000867967079 645691094 /nfs/dbraw/zinc/69/10/94/645691094.db2.gz YZGCIRCAUXXEJL-DOTOQJQBSA-N 2 0 298.390 0.989 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001020301141 651057618 /nfs/dbraw/zinc/05/76/18/651057618.db2.gz QDAPKHDJSLBZSG-AVGNSLFASA-N 2 0 251.374 0.894 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001020340325 651060366 /nfs/dbraw/zinc/06/03/66/651060366.db2.gz NTHDQBDTUCKSGI-KKUMJFAQSA-N 2 0 277.412 0.977 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH2+]CC1 ZINC000876505081 646613429 /nfs/dbraw/zinc/61/34/29/646613429.db2.gz KEVZSGDTADAHCR-CQSZACIVSA-N 2 0 270.336 0.177 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H](C[NH3+])C1 ZINC000876517483 646617847 /nfs/dbraw/zinc/61/78/47/646617847.db2.gz SSTZDPSWVIRNOJ-DOMZBBRYSA-N 2 0 284.363 0.552 20 30 CCEDRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876860994 646683662 /nfs/dbraw/zinc/68/36/62/646683662.db2.gz OVYYLBYSPCXXHC-BHDSKKPTSA-N 2 0 272.352 0.597 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884272331 647690881 /nfs/dbraw/zinc/69/08/81/647690881.db2.gz UXFYFMOKICCHOU-SOULVHCYSA-N 2 0 276.384 0.335 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C[NH2+]CCC1(F)F)C2 ZINC000884299526 647701754 /nfs/dbraw/zinc/70/17/54/647701754.db2.gz WPXVKPFYHNLOQU-ZRZGDYATSA-N 2 0 298.337 0.239 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[NH3+])cc1)C2 ZINC000884376103 647722507 /nfs/dbraw/zinc/72/25/07/647722507.db2.gz XIRUTKAJVCTOAZ-CKDBGZEDSA-N 2 0 298.390 0.901 20 30 CCEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001006402460 647925773 /nfs/dbraw/zinc/92/57/73/647925773.db2.gz XFFBFRHSGNUABV-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000104172552 648204348 /nfs/dbraw/zinc/20/43/48/648204348.db2.gz CQEMSSBZEZGGJA-MNOVXSKESA-N 2 0 254.378 0.410 20 30 CCEDRP CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303256200 649813336 /nfs/dbraw/zinc/81/33/36/649813336.db2.gz HLDKNDUDKKFGDI-UHFFFAOYSA-N 2 0 275.400 0.733 20 30 CCEDRP C=CCNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000303376403 649817418 /nfs/dbraw/zinc/81/74/18/649817418.db2.gz OHIDXVHEPDGWTP-UHFFFAOYSA-N 2 0 253.394 0.104 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303722461 649824520 /nfs/dbraw/zinc/82/45/20/649824520.db2.gz YFGRALZJRVJNPZ-LBPRGKRZSA-N 2 0 256.394 0.802 20 30 CCEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCC(O)CC2)C1 ZINC000303876892 649826003 /nfs/dbraw/zinc/82/60/03/649826003.db2.gz FCLTZNNHAFEMIU-CYBMUJFWSA-N 2 0 282.432 0.880 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCCC[C@H]1C ZINC000303881137 649826343 /nfs/dbraw/zinc/82/63/43/649826343.db2.gz HLRWCZFEUPHFKI-NWDGAFQWSA-N 2 0 256.394 0.800 20 30 CCEDRP CC[C@H](CNC(=[NH2+])N[C@H](C)COC)[NH+]1CCCC1 ZINC000303897253 649826473 /nfs/dbraw/zinc/82/64/73/649826473.db2.gz QJRIJCAXGXOKFN-VXGBXAGGSA-N 2 0 256.394 0.800 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303896437 649826642 /nfs/dbraw/zinc/82/66/42/649826642.db2.gz ULTNKXCAYMLHLE-CYBMUJFWSA-N 2 0 269.437 0.526 20 30 CCEDRP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266248088 790325908 /nfs/dbraw/zinc/32/59/08/790325908.db2.gz DKZXDSNZPVBTIN-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453574 790643006 /nfs/dbraw/zinc/64/30/06/790643006.db2.gz AQJNBBBBMGYCCE-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001098540555 790919176 /nfs/dbraw/zinc/91/91/76/790919176.db2.gz SPOOLLMPXMRZFY-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659250 791091935 /nfs/dbraw/zinc/09/19/35/791091935.db2.gz BQWNIIDTEJPUBA-NSHDSACASA-N 2 0 259.781 0.881 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001277980437 806557217 /nfs/dbraw/zinc/55/72/17/806557217.db2.gz HVFQBHQSGBQBBQ-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278078568 806653922 /nfs/dbraw/zinc/65/39/22/806653922.db2.gz XLKRTILQRXZYOA-KGLIPLIRSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001278119706 806696599 /nfs/dbraw/zinc/69/65/99/806696599.db2.gz NBRXPFRZWWXTRC-CQSZACIVSA-N 2 0 295.427 0.198 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)CC1 ZINC001121293301 799027790 /nfs/dbraw/zinc/02/77/90/799027790.db2.gz ZFNTXTSOKZEKJW-OWCLPIDISA-N 2 0 289.423 0.788 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001121952576 799106489 /nfs/dbraw/zinc/10/64/89/799106489.db2.gz JYKPCZKPCNCMNP-HNNXBMFYSA-N 2 0 296.459 0.766 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001122214605 799170948 /nfs/dbraw/zinc/17/09/48/799170948.db2.gz NWNNPMCZCQTVMN-CYBMUJFWSA-N 2 0 272.352 0.342 20 30 CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547455 800346148 /nfs/dbraw/zinc/34/61/48/800346148.db2.gz SWSXPWSIWJJKLU-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716230 800363260 /nfs/dbraw/zinc/36/32/60/800363260.db2.gz PKSNWQVDVISCKW-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001151049578 800389837 /nfs/dbraw/zinc/38/98/37/800389837.db2.gz SLCGCYJPGSBOPW-OAHLLOKOSA-N 2 0 286.379 0.716 20 30 CCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151044329 800389934 /nfs/dbraw/zinc/38/99/34/800389934.db2.gz QMMRMTITNUUVGO-OAHLLOKOSA-N 2 0 286.379 0.716 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001157413931 801376124 /nfs/dbraw/zinc/37/61/24/801376124.db2.gz RWDBARPZVRYPJY-HNNXBMFYSA-N 2 0 272.352 0.822 20 30 CCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2CCC([NH3+])CC2)c1 ZINC001160510525 801954908 /nfs/dbraw/zinc/95/49/08/801954908.db2.gz BPPLEWZPYODZTM-AWEZNQCLSA-N 2 0 272.352 0.378 20 30 CCEDRP N#C[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160637824 801985003 /nfs/dbraw/zinc/98/50/03/801985003.db2.gz UGNXNWOENTWUFU-RYUDHWBXSA-N 2 0 252.362 0.737 20 30 CCEDRP N#C[C@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160640548 801986255 /nfs/dbraw/zinc/98/62/55/801986255.db2.gz HGVCVOFBYUZRNN-CHWSQXEVSA-N 2 0 276.384 0.623 20 30 CCEDRP N#C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160642731 801987748 /nfs/dbraw/zinc/98/77/48/801987748.db2.gz LVIXAPULHUMIKD-PWSUYJOCSA-N 2 0 250.346 0.075 20 30 CCEDRP CCCCN(CC#N)C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001160731066 802013143 /nfs/dbraw/zinc/01/31/43/802013143.db2.gz SWYAVWAIWJUCFN-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP C[C@@H](C#N)N(C)C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161144137 802101246 /nfs/dbraw/zinc/10/12/46/802101246.db2.gz IIWZTJNIVGGGJF-WDEREUQCSA-N 2 0 250.346 0.231 20 30 CCEDRP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C[C@H](C)[NH2+]1 ZINC001161229761 802112186 /nfs/dbraw/zinc/11/21/86/802112186.db2.gz USZUPEPYZKFODU-HUBLWGQQSA-N 2 0 286.379 0.637 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274532 802118402 /nfs/dbraw/zinc/11/84/02/802118402.db2.gz WYZGBGVIFIDAPL-HOCLYGCPSA-N 2 0 286.379 0.513 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163297032 802529234 /nfs/dbraw/zinc/52/92/34/802529234.db2.gz BSNQHLDZLJOICY-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851113 802624390 /nfs/dbraw/zinc/62/43/90/802624390.db2.gz GMPNFLZDWWTFFL-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001280485929 810025434 /nfs/dbraw/zinc/02/54/34/810025434.db2.gz YLLHURYAHLLYIT-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536304 802758198 /nfs/dbraw/zinc/75/81/98/802758198.db2.gz PWZODHMLWALHRQ-AWEZNQCLSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616089 803037577 /nfs/dbraw/zinc/03/75/77/803037577.db2.gz VFFCUYRLFKLBLM-KGLIPLIRSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206927686 803311369 /nfs/dbraw/zinc/31/13/69/803311369.db2.gz KTMDOWDBHURVSS-AWEZNQCLSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207683773 803437467 /nfs/dbraw/zinc/43/74/67/803437467.db2.gz HMVNIZFYCYMJDZ-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209640876 803619405 /nfs/dbraw/zinc/61/94/05/803619405.db2.gz DTPKZCGFZRFMCC-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276717734 803774871 /nfs/dbraw/zinc/77/48/71/803774871.db2.gz RCTXAESVDFDSHO-FQUUOJAGSA-N 2 0 265.401 0.807 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757811 803855511 /nfs/dbraw/zinc/85/55/11/803855511.db2.gz MXPQUJNCWPICFP-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP Cc1noc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1C#N ZINC001218503571 803969262 /nfs/dbraw/zinc/96/92/62/803969262.db2.gz OSAZPWQLNWONQY-NSHDSACASA-N 2 0 289.339 0.667 20 30 CCEDRP C#Cc1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])ccn1 ZINC001218522929 803983420 /nfs/dbraw/zinc/98/34/20/803983420.db2.gz BKAUMCICRSQFHZ-NSHDSACASA-N 2 0 260.341 0.270 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(C#N)c1C ZINC001218556649 804004045 /nfs/dbraw/zinc/00/40/45/804004045.db2.gz WMLVLNQYUWNGCO-GFCCVEGCSA-N 2 0 275.356 0.769 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1(C#N)CCC1 ZINC001219606269 804372975 /nfs/dbraw/zinc/37/29/75/804372975.db2.gz IZVLTZSQCZQECE-NSHDSACASA-N 2 0 252.362 0.608 20 30 CCEDRP N#CC1(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCC1 ZINC001219632075 804382247 /nfs/dbraw/zinc/38/22/47/804382247.db2.gz GYNRQSSHQCPGGR-NSHDSACASA-N 2 0 250.346 0.123 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343568 804579954 /nfs/dbraw/zinc/57/99/54/804579954.db2.gz SLNGGOZAPJWEBV-IVGLGHLBSA-N 2 0 281.278 0.465 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688918 804650050 /nfs/dbraw/zinc/65/00/50/804650050.db2.gz WACVVEVJGBMHPJ-KFWWJZLASA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806391 804670866 /nfs/dbraw/zinc/67/08/66/804670866.db2.gz ASAVLCHJPIKIOQ-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP N#Cc1ccnc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222099791 804867505 /nfs/dbraw/zinc/86/75/05/804867505.db2.gz KWJONSHVOYAQIQ-UHFFFAOYSA-N 2 0 271.368 0.481 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223379142 804968376 /nfs/dbraw/zinc/96/83/76/804968376.db2.gz RELGNGPFKXBQIR-CABCVRRESA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001276908223 804983223 /nfs/dbraw/zinc/98/32/23/804983223.db2.gz DSRBWOIMSIMGQH-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226554359 805246326 /nfs/dbraw/zinc/24/63/26/805246326.db2.gz KRQSJVYVIAOKJC-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001228225145 805423925 /nfs/dbraw/zinc/42/39/25/805423925.db2.gz RLSWAQFBBFPQHJ-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245985115 807106673 /nfs/dbraw/zinc/10/66/73/807106673.db2.gz KWIHUIGRUJXIOL-KGLIPLIRSA-N 2 0 283.416 0.014 20 30 CCEDRP C=CCC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246026322 807123889 /nfs/dbraw/zinc/12/38/89/807123889.db2.gz FBUHNSXQCJXMKD-CYBMUJFWSA-N 2 0 253.390 0.341 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052853 807134420 /nfs/dbraw/zinc/13/44/20/807134420.db2.gz PGBSXRNTHOJLGH-HZSPNIEDSA-N 2 0 254.374 0.481 20 30 CCEDRP C#Cc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246265697 807203622 /nfs/dbraw/zinc/20/36/22/807203622.db2.gz NOLJQAUYQPCULQ-HNNXBMFYSA-N 2 0 255.365 0.852 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NC1CC[NH2+]CC1 ZINC001246310140 807218290 /nfs/dbraw/zinc/21/82/90/807218290.db2.gz FUJLYJIXSDUWNW-ZDUSSCGKSA-N 2 0 269.389 0.555 20 30 CCEDRP C[C@@H](CCCC#N)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246818666 807393930 /nfs/dbraw/zinc/39/39/30/807393930.db2.gz DAAMFZQQOMMIOE-AWEZNQCLSA-N 2 0 267.421 0.153 20 30 CCEDRP CC[NH+](CC)CC[C@@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001251665561 807693378 /nfs/dbraw/zinc/69/33/78/807693378.db2.gz QPPHVRNQNROWQI-CQSZACIVSA-N 2 0 282.432 0.971 20 30 CCEDRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NCC#CC[NH+](C)C ZINC001251708618 807696913 /nfs/dbraw/zinc/69/69/13/807696913.db2.gz URZNOFYRYXRGHI-OAHLLOKOSA-N 2 0 294.443 0.923 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001251897266 807740940 /nfs/dbraw/zinc/74/09/40/807740940.db2.gz WOLSMRYMUOBCQI-OAHLLOKOSA-N 2 0 266.385 0.461 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252484113 807887814 /nfs/dbraw/zinc/88/78/14/807887814.db2.gz ZGOZPWXJNOXHCD-XJFOESAGSA-N 2 0 254.374 0.765 20 30 CCEDRP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001252549622 807906332 /nfs/dbraw/zinc/90/63/32/807906332.db2.gz GLACVFCGIXWMSY-MJBXVCDLSA-N 2 0 254.374 0.576 20 30 CCEDRP C=C[C@H](O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001253579384 808087409 /nfs/dbraw/zinc/08/74/09/808087409.db2.gz QFBOGKYLKBXIRP-HNNXBMFYSA-N 2 0 269.433 0.883 20 30 CCEDRP C=C[C@H](O)C[NH2+]CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001253607018 808096123 /nfs/dbraw/zinc/09/61/23/808096123.db2.gz QKFVFQLPPHSMCO-HNNXBMFYSA-N 2 0 295.427 0.600 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001261552598 809018311 /nfs/dbraw/zinc/01/83/11/809018311.db2.gz WNAQWHYOUHUTCQ-XQQFMLRXSA-N 2 0 266.389 0.983 20 30 CCEDRP CC1(C)[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]2CCC[NH2+][C@H]21 ZINC001262038818 809169456 /nfs/dbraw/zinc/16/94/56/809169456.db2.gz ALQCIUTYVHXQLW-WUHRBBMRSA-N 2 0 278.400 0.900 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263151471 809460868 /nfs/dbraw/zinc/46/08/68/809460868.db2.gz CJZLPOFJSZVBES-SNVBAGLBSA-N 2 0 257.765 0.668 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001264441153 809658275 /nfs/dbraw/zinc/65/82/75/809658275.db2.gz ZUILCUURTJUBBF-SHTZXODSSA-N 2 0 295.427 0.461 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076569118 815312140 /nfs/dbraw/zinc/31/21/40/815312140.db2.gz KDSZDEPPNVQFTD-SOUVJXGZSA-N 2 0 275.396 0.494 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CNC(=O)CCCC[NH+](C)C ZINC001265851877 809876635 /nfs/dbraw/zinc/87/66/35/809876635.db2.gz TUYHPZBWASVHGG-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCOC)CC1 ZINC001265869912 809881119 /nfs/dbraw/zinc/88/11/19/809881119.db2.gz FKFANSNGTHJGTA-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267314605 811141241 /nfs/dbraw/zinc/14/12/41/811141241.db2.gz RRTUDHMNMNDDOD-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001279725403 811569603 /nfs/dbraw/zinc/56/96/03/811569603.db2.gz XOXVELBEXHDPQI-OAHLLOKOSA-N 2 0 295.427 0.295 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268009134 811947604 /nfs/dbraw/zinc/94/76/04/811947604.db2.gz FYGVCZBGJSRXAA-HUUCEWRRSA-N 2 0 297.443 0.564 20 30 CCEDRP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001268026136 811998132 /nfs/dbraw/zinc/99/81/32/811998132.db2.gz HOUOJCBBWPFLMQ-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884022 812116149 /nfs/dbraw/zinc/11/61/49/812116149.db2.gz FQRVCZCFFGTTLE-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001268217737 812369530 /nfs/dbraw/zinc/36/95/30/812369530.db2.gz CVYNHEJIGLTSCO-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268305680 812470260 /nfs/dbraw/zinc/47/02/60/812470260.db2.gz SQDWKFMAZGIPJA-LSDHHAIUSA-N 2 0 297.443 0.892 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268614778 812949090 /nfs/dbraw/zinc/94/90/90/812949090.db2.gz YHVJIPNQFGRMTD-GEXIGZQTSA-N 2 0 263.385 0.614 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268661222 812988723 /nfs/dbraw/zinc/98/87/23/812988723.db2.gz NISZUDMGUQASPT-CHWSQXEVSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001268742902 813056415 /nfs/dbraw/zinc/05/64/15/813056415.db2.gz MKHXPSJHBWZDFN-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268755992 813067361 /nfs/dbraw/zinc/06/73/61/813067361.db2.gz GQLJNFIQFNMDMY-KBPBESRZSA-N 2 0 283.416 0.577 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001028638267 813087606 /nfs/dbraw/zinc/08/76/06/813087606.db2.gz FEZINKALTUJWJM-ZIAGYGMSSA-N 2 0 286.379 0.517 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1 ZINC001269572233 813427341 /nfs/dbraw/zinc/42/73/41/813427341.db2.gz LVWQVYKZTSKUFV-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001269619061 813449251 /nfs/dbraw/zinc/44/92/51/813449251.db2.gz JKYVVELIBXXLPW-XNRPHZJLSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001270237736 813691708 /nfs/dbraw/zinc/69/17/08/813691708.db2.gz VSYSXBYLHUTBHG-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001270624791 813849856 /nfs/dbraw/zinc/84/98/56/813849856.db2.gz SYCBIPSVFFZRIL-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088013986 814311689 /nfs/dbraw/zinc/31/16/89/814311689.db2.gz CBBOQEWNWHAZQY-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170351 814437391 /nfs/dbraw/zinc/43/73/91/814437391.db2.gz OJKHAEAQPAEJML-XHSDSOJGSA-N 2 0 289.423 0.742 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001271953748 814648394 /nfs/dbraw/zinc/64/83/94/814648394.db2.gz LEISAWCCLVQFEB-UHFFFAOYSA-N 2 0 263.385 0.803 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001088424873 814681973 /nfs/dbraw/zinc/68/19/73/814681973.db2.gz HVGLUNHTYNIHRI-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001272568532 816590390 /nfs/dbraw/zinc/59/03/90/816590390.db2.gz XWDQXLLBDMLICZ-CHWSQXEVSA-N 2 0 271.405 0.215 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001272583509 816663726 /nfs/dbraw/zinc/66/37/26/816663726.db2.gz IEGSSSLPSBKKNI-LSDHHAIUSA-N 2 0 295.427 0.197 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106628826 816828472 /nfs/dbraw/zinc/82/84/72/816828472.db2.gz WVIPVQOAKQUSOP-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689053 817245592 /nfs/dbraw/zinc/24/55/92/817245592.db2.gz QQJONMAHOOXASF-HUUCEWRRSA-N 2 0 293.411 0.474 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127701281 817469006 /nfs/dbraw/zinc/46/90/06/817469006.db2.gz MRJKTTODHUZNHE-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001124872909 817607842 /nfs/dbraw/zinc/60/78/42/817607842.db2.gz ORDKKNJADYEPNI-HNNXBMFYSA-N 2 0 286.379 0.858 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786367 817869762 /nfs/dbraw/zinc/86/97/62/817869762.db2.gz YXCSXGMJKRWSOQ-UONOGXRCSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001273010753 818357858 /nfs/dbraw/zinc/35/78/58/818357858.db2.gz TWJOTCQEZRCGNF-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP Cc1ccc(NC(=[NH2+])N2CCN(C)CC2)c(C#N)n1 ZINC001168736473 818548556 /nfs/dbraw/zinc/54/85/56/818548556.db2.gz HOQYLGCUWBIMMF-UHFFFAOYSA-N 2 0 258.329 0.856 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391297 818758257 /nfs/dbraw/zinc/75/82/57/818758257.db2.gz QZFOIWSNHJNLGJ-AWEZNQCLSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034779393 819329039 /nfs/dbraw/zinc/32/90/39/819329039.db2.gz STXOZUCINPZXNR-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792997 819332002 /nfs/dbraw/zinc/33/20/02/819332002.db2.gz PYDVGMCENBZQLE-MGPQQGTHSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079709319 820455608 /nfs/dbraw/zinc/45/56/08/820455608.db2.gz YWWOODMIEVHBHH-BPLDGKMQSA-N 2 0 277.412 0.951 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079723908 820457836 /nfs/dbraw/zinc/45/78/36/820457836.db2.gz PYCYUKWFFMAXQV-KBUPBQIOSA-N 2 0 277.412 0.786 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132695 820906651 /nfs/dbraw/zinc/90/66/51/820906651.db2.gz NRBCTQXSEIKUNI-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082447730 820977959 /nfs/dbraw/zinc/97/79/59/820977959.db2.gz MRUWFFWBJPRRHW-UPJWGTAASA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001082507085 820992362 /nfs/dbraw/zinc/99/23/62/820992362.db2.gz BEEVSUJVKBJADN-RBSFLKMASA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515773 820992998 /nfs/dbraw/zinc/99/29/98/820992998.db2.gz YFQLZHHDOUSTOH-VHDGCEQUSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3)[C@@H]2C1 ZINC001084866296 821414371 /nfs/dbraw/zinc/41/43/71/821414371.db2.gz KOOYPHABCDYFMX-ZIAGYGMSSA-N 2 0 272.352 0.439 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871865 821465964 /nfs/dbraw/zinc/46/59/64/821465964.db2.gz LEVSVDVMICWFKH-KGLIPLIRSA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001273308164 821596539 /nfs/dbraw/zinc/59/65/39/821596539.db2.gz HKFIMLPFEYPKGZ-SOUVJXGZSA-N 2 0 293.411 0.167 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129326748 822127252 /nfs/dbraw/zinc/12/72/52/822127252.db2.gz BXODVLRVJSMPCB-OAHLLOKOSA-N 2 0 297.443 0.873 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001086370424 822227619 /nfs/dbraw/zinc/22/76/19/822227619.db2.gz GDHYEOBRBQQHJI-ZQDZILKHSA-N 2 0 277.412 0.834 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130188326 837716209 /nfs/dbraw/zinc/71/62/09/837716209.db2.gz BUUFMCRBVFZMRB-GJZGRUSLSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130478012 837801486 /nfs/dbraw/zinc/80/14/86/837801486.db2.gz QNQSOIIVSKKCAM-LBPRGKRZSA-N 2 0 260.341 0.175 20 30 CCEDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183759030 844084505 /nfs/dbraw/zinc/08/45/05/844084505.db2.gz DVEMWJWWIZZDQL-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC)C2)CC1 ZINC001086558486 836909109 /nfs/dbraw/zinc/90/91/09/836909109.db2.gz TXQJOGVMLRXAMI-CTYIDZIISA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132264760 838348182 /nfs/dbraw/zinc/34/81/82/838348182.db2.gz BCMMLUHMFOBSFB-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185220775 844364716 /nfs/dbraw/zinc/36/47/16/844364716.db2.gz CSJSNKBSOLUAOF-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133965599 838795284 /nfs/dbraw/zinc/79/52/84/838795284.db2.gz AQRAVDXHTRBSFT-LBPRGKRZSA-N 2 0 257.378 0.235 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249133 844380374 /nfs/dbraw/zinc/38/03/74/844380374.db2.gz PMSRQIYGXNAPHQ-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584771 839014874 /nfs/dbraw/zinc/01/48/74/839014874.db2.gz WWIJUDBMRHKOLO-CHWSQXEVSA-N 2 0 265.401 0.977 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118770 839166223 /nfs/dbraw/zinc/16/62/23/839166223.db2.gz SFMKLMOXWBTZSY-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385523 844407771 /nfs/dbraw/zinc/40/77/71/844407771.db2.gz POGMPZLYTXEHLM-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455844 844418389 /nfs/dbraw/zinc/41/83/89/844418389.db2.gz TXKQHNSYNBGWOG-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246019929 839582168 /nfs/dbraw/zinc/58/21/68/839582168.db2.gz JBNPXOTZVRZKMF-MGPQQGTHSA-N 2 0 254.374 0.304 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171159933 840004184 /nfs/dbraw/zinc/00/41/84/840004184.db2.gz AMGJIUCLBYVMJH-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001091057806 840014963 /nfs/dbraw/zinc/01/49/63/840014963.db2.gz BZXUHKSABRGFCH-NRXISQOPSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879755 840324356 /nfs/dbraw/zinc/32/43/56/840324356.db2.gz OYOCCXMHKAKXAC-LSDHHAIUSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879754 840324822 /nfs/dbraw/zinc/32/48/22/840324822.db2.gz OYOCCXMHKAKXAC-HUUCEWRRSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462491 840807099 /nfs/dbraw/zinc/80/70/99/840807099.db2.gz BOGQNRGJURJECY-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186621836 844576169 /nfs/dbraw/zinc/57/61/69/844576169.db2.gz BPAORVZPFIBQKM-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148578441 840851383 /nfs/dbraw/zinc/85/13/83/840851383.db2.gz SXKBKKUZOFUNCO-CYBMUJFWSA-N 2 0 298.431 0.115 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737098 840868290 /nfs/dbraw/zinc/86/82/90/840868290.db2.gz BTBYBFXBXHWRHB-INMHGKMJSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132944 841152716 /nfs/dbraw/zinc/15/27/16/841152716.db2.gz HSUMMHNKXFDHCE-ZIAGYGMSSA-N 2 0 275.396 0.400 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036869942 841431109 /nfs/dbraw/zinc/43/11/09/841431109.db2.gz MQULHGCGZZUKCW-LSDHHAIUSA-N 2 0 287.407 0.638 20 30 CCEDRP C=C(C)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349070 842142487 /nfs/dbraw/zinc/14/24/87/842142487.db2.gz GBFDHHPPFQISLK-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001150334643 842171250 /nfs/dbraw/zinc/17/12/50/842171250.db2.gz YWAASLMVIDVSNZ-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176309976 842358044 /nfs/dbraw/zinc/35/80/44/842358044.db2.gz ZUGICXMWWJVXIA-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574519 842387416 /nfs/dbraw/zinc/38/74/16/842387416.db2.gz SMNUULGRTYKAMK-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178361425 842831002 /nfs/dbraw/zinc/83/10/02/842831002.db2.gz YWXNELXWNGSXIP-MELADBBJSA-N 2 0 263.385 0.683 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179485910 843006712 /nfs/dbraw/zinc/00/67/12/843006712.db2.gz DVQJBXOPDBFRGX-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193292709 846046019 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CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200796091 847693645 /nfs/dbraw/zinc/69/36/45/847693645.db2.gz SLHRSXBYSACXQN-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001273886323 847729406 /nfs/dbraw/zinc/72/94/06/847729406.db2.gz UKQTXTMSAVQSME-GOEBONIOSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201261950 847756441 /nfs/dbraw/zinc/75/64/41/847756441.db2.gz QPJBJPNXXASBQF-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201261936 847757251 /nfs/dbraw/zinc/75/72/51/847757251.db2.gz QPJBJPNXXASBQF-AWEZNQCLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001273909960 847819453 /nfs/dbraw/zinc/81/94/53/847819453.db2.gz CLUYJNBSFPDVMF-HNNXBMFYSA-N 2 0 283.416 0.457 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238306 847877689 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C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001275099229 848637903 /nfs/dbraw/zinc/63/79/03/848637903.db2.gz SJOFECCKBNXOBF-QWRGUYRKSA-N 2 0 259.781 0.927 20 30 CCEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001275720705 848800102 /nfs/dbraw/zinc/80/01/02/848800102.db2.gz LORIILDPRYJQRI-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCF)CC1 ZINC001039041446 850137546 /nfs/dbraw/zinc/13/75/46/850137546.db2.gz CTHFNEBNJRWOKJ-HNNXBMFYSA-N 2 0 295.402 0.882 20 30 CCEDRP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041141571 850383655 /nfs/dbraw/zinc/38/36/55/850383655.db2.gz OOLRCUSCEYIHBI-GDBMZVCRSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC001044822688 851165244 /nfs/dbraw/zinc/16/52/44/851165244.db2.gz MJGGNTIUKONWGF-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001046596523 851559372 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0.215 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642095 855525379 /nfs/dbraw/zinc/52/53/79/855525379.db2.gz QPDDSHPPMCJPFD-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001103997949 855560120 /nfs/dbraw/zinc/56/01/20/855560120.db2.gz DKHRYZNWWRFXIX-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115161611 855647757 /nfs/dbraw/zinc/64/77/57/855647757.db2.gz IRIDKZGZRIWIBE-FOLVSLTJSA-N 2 0 295.427 0.577 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001324081740 912658432 /nfs/dbraw/zinc/65/84/32/912658432.db2.gz PWALODGTQKKFFF-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1 ZINC001325003348 913145362 /nfs/dbraw/zinc/14/53/62/913145362.db2.gz UDUKDWMCALZVQO-ZIAGYGMSSA-N 2 0 295.427 0.768 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001325466792 913419338 /nfs/dbraw/zinc/41/93/38/913419338.db2.gz OESZESHKCDGTCR-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211072978 891580450 /nfs/dbraw/zinc/58/04/50/891580450.db2.gz XWJSVQBZLDUZAV-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001480975764 892002932 /nfs/dbraw/zinc/00/29/32/892002932.db2.gz GWAXJCDHPYBYJU-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001481066980 892130515 /nfs/dbraw/zinc/13/05/15/892130515.db2.gz YNWQFTAWKUKCAK-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C(C)C)CC1 ZINC001481319372 892575596 /nfs/dbraw/zinc/57/55/96/892575596.db2.gz BRNDYYOBZSHDQV-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001481816074 893182766 /nfs/dbraw/zinc/18/27/66/893182766.db2.gz JELWVEYGECRPEU-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#CCOC ZINC001481845399 893210421 /nfs/dbraw/zinc/21/04/21/893210421.db2.gz GBCOPKHOZJUUKN-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482168431 893453721 /nfs/dbraw/zinc/45/37/21/893453721.db2.gz NIBGYFHWQMNNMX-STQMWFEESA-N 2 0 253.390 0.856 20 30 CCEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001482244841 893646772 /nfs/dbraw/zinc/64/67/72/893646772.db2.gz JFNOSXNQCXHJLR-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001355187271 894116901 /nfs/dbraw/zinc/11/69/01/894116901.db2.gz QDQSGYQAYQRWRH-OCCSQVGLSA-N 2 0 264.373 0.752 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001271878028 894206976 /nfs/dbraw/zinc/20/69/76/894206976.db2.gz OJAHHTHIVUMHAY-QWHCGFSZSA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483373815 895507735 /nfs/dbraw/zinc/50/77/35/895507735.db2.gz DLCHAYFXQXGYST-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484856376 896635771 /nfs/dbraw/zinc/63/57/71/896635771.db2.gz RWMGRDFDONPKSM-GDBMZVCRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001484856319 896637730 /nfs/dbraw/zinc/63/77/30/896637730.db2.gz OWQJTYBGJWNEQO-INIZCTEOSA-N 2 0 297.443 0.846 20 30 CCEDRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#CCOC)[NH+](C)C ZINC001484994689 896712499 /nfs/dbraw/zinc/71/24/99/896712499.db2.gz QONYTLFUCFRXSR-UONOGXRCSA-N 2 0 283.416 0.461 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001326879114 914247383 /nfs/dbraw/zinc/24/73/83/914247383.db2.gz IUXWPBTUIZJGTP-NEPJUHHUSA-N 2 0 252.362 0.595 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486347883 898827302 /nfs/dbraw/zinc/82/73/02/898827302.db2.gz UHOYULMZOOFJHU-CQSZACIVSA-N 2 0 283.416 0.265 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001327033608 914325801 /nfs/dbraw/zinc/32/58/01/914325801.db2.gz DIGKSYWUJRZLPR-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001327050050 914338242 /nfs/dbraw/zinc/33/82/42/914338242.db2.gz VHYBIVZZFFDWDM-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001327130201 914391489 /nfs/dbraw/zinc/39/14/89/914391489.db2.gz FKSUWYRVWVAHGQ-VXGBXAGGSA-N 2 0 252.362 0.513 20 30 CCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176565674 899976734 /nfs/dbraw/zinc/97/67/34/899976734.db2.gz WWWJDKAQSOADSW-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001490741600 900713058 /nfs/dbraw/zinc/71/30/58/900713058.db2.gz WKNASSZYNHWKJW-ZIAGYGMSSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490778930 900722837 /nfs/dbraw/zinc/72/28/37/900722837.db2.gz YHSSYXVRSGIIDY-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001491230421 903457951 /nfs/dbraw/zinc/45/79/51/903457951.db2.gz NKSDDXVXWPUWMB-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001281147736 904232143 /nfs/dbraw/zinc/23/21/43/904232143.db2.gz TUKGBWLAEQJGPA-GDBMZVCRSA-N 2 0 293.411 0.047 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001283102394 904694917 /nfs/dbraw/zinc/69/49/17/904694917.db2.gz NNTURNURRUDDEO-MGPQQGTHSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCN1CC#C ZINC001283187842 904737833 /nfs/dbraw/zinc/73/78/33/904737833.db2.gz AMCKUAYNMYURGO-CABCVRRESA-N 2 0 275.396 0.592 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317163296 904771851 /nfs/dbraw/zinc/77/18/51/904771851.db2.gz MFVGWVNLLINPMN-HNNXBMFYSA-N 2 0 277.412 0.934 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001283813697 905034029 /nfs/dbraw/zinc/03/40/29/905034029.db2.gz PUFUHJYLGRKZMV-HUUCEWRRSA-N 2 0 297.443 0.894 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284246143 905218031 /nfs/dbraw/zinc/21/80/31/905218031.db2.gz NQLKZEHWLMGEJW-ZIAGYGMSSA-N 2 0 263.385 0.590 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC001296699594 906949736 /nfs/dbraw/zinc/94/97/36/906949736.db2.gz YYSXJOMEZUGVNH-AWEZNQCLSA-N 2 0 282.432 0.246 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001492073206 907693371 /nfs/dbraw/zinc/69/33/71/907693371.db2.gz NARVECYIPJRLKA-IHRRRGAJSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492110550 907704960 /nfs/dbraw/zinc/70/49/60/907704960.db2.gz JVFHHXPNLMMBKI-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316958861 908867695 /nfs/dbraw/zinc/86/76/95/908867695.db2.gz MDMUCTINESCMGF-OAHLLOKOSA-N 2 0 294.443 0.084 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317033518 908931820 /nfs/dbraw/zinc/93/18/20/908931820.db2.gz HWJXTBWLVLYYSE-UONOGXRCSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317126220 908997377 /nfs/dbraw/zinc/99/73/77/908997377.db2.gz MSADTJPHISRHQS-RWMBFGLXSA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317157261 909018751 /nfs/dbraw/zinc/01/87/51/909018751.db2.gz IBQXQISAVMOCNX-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH+]1CCN(CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001317824034 909516966 /nfs/dbraw/zinc/51/69/66/909516966.db2.gz JCAGLPVAWGUKHR-UHFFFAOYSA-N 2 0 296.459 0.590 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001318570755 909820073 /nfs/dbraw/zinc/82/00/73/909820073.db2.gz QMQWKRHZCOTHQC-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001319286695 910071429 /nfs/dbraw/zinc/07/14/29/910071429.db2.gz XZIPNUDGEOKMQI-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001319529703 910190326 /nfs/dbraw/zinc/19/03/26/910190326.db2.gz WFMACXOODJQULG-QWHCGFSZSA-N 2 0 253.390 0.642 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001319479066 910172386 /nfs/dbraw/zinc/17/23/86/910172386.db2.gz XKNIJXQGEGAOQE-CHWSQXEVSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001319860558 910324089 /nfs/dbraw/zinc/32/40/89/910324089.db2.gz GUAPDRSVBIJHCL-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321849308 911527977 /nfs/dbraw/zinc/52/79/77/911527977.db2.gz MGZQKKDXJKKEPS-AAEUAGOBSA-N 2 0 251.374 0.609 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2cncn2C1 ZINC001328362508 915142164 /nfs/dbraw/zinc/14/21/64/915142164.db2.gz INOGZPNDWKMSRF-KBPBESRZSA-N 2 0 288.395 0.953 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001328451072 915204498 /nfs/dbraw/zinc/20/44/98/915204498.db2.gz DPXIXRQPBAYHQW-KBPBESRZSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001401575823 916341018 /nfs/dbraw/zinc/34/10/18/916341018.db2.gz GJHGMBAHBNFEKB-NWDGAFQWSA-N 2 0 289.807 0.147 20 30 CCEDRP C#CCC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001330925574 916972721 /nfs/dbraw/zinc/97/27/21/916972721.db2.gz BWRQMOXCYVLPOO-GFCCVEGCSA-N 2 0 262.357 0.850 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)CCC[NH+](C)C)C1 ZINC001333107844 918655888 /nfs/dbraw/zinc/65/58/88/918655888.db2.gz NVFVLPWMSREGPR-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC001406291543 919155392 /nfs/dbraw/zinc/15/53/92/919155392.db2.gz AJIGTIPWHDJTOB-LLVKDONJSA-N 2 0 277.796 0.146 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC001335350723 920138928 /nfs/dbraw/zinc/13/89/28/920138928.db2.gz IPMRFNVKBIAUON-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC001335395654 920167881 /nfs/dbraw/zinc/16/78/81/920167881.db2.gz XHQBPPHQWNRHPS-UONOGXRCSA-N 2 0 268.405 0.124 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001346374897 924177575 /nfs/dbraw/zinc/17/75/75/924177575.db2.gz BUVKCUGATBXXOZ-CHWSQXEVSA-N 2 0 263.385 0.588 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC1CC[NH+](C)CC1 ZINC001356585792 926406023 /nfs/dbraw/zinc/40/60/23/926406023.db2.gz VUPOJADAULXBIK-CQSZACIVSA-N 2 0 268.405 0.124 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001357430937 926529388 /nfs/dbraw/zinc/52/93/88/926529388.db2.gz MZLAORBYFLZOFS-UHFFFAOYSA-N 2 0 286.379 0.385 20 30 CCEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600727690 362047113 /nfs/dbraw/zinc/04/71/13/362047113.db2.gz QHEQMPFPGBESKM-CQSZACIVSA-N 2 0 294.443 0.657 20 30 CCEDRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1(C)C ZINC000600736153 362050244 /nfs/dbraw/zinc/05/02/44/362050244.db2.gz QQQXWVZXSDZYEX-AWEZNQCLSA-N 2 0 294.443 0.657 20 30 CCEDRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[NH2+]1 ZINC000602556521 362677495 /nfs/dbraw/zinc/67/74/95/362677495.db2.gz VOGQCNAVILVSAA-IJLUTSLNSA-N 2 0 252.362 0.654 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958055 348501176 /nfs/dbraw/zinc/50/11/76/348501176.db2.gz LOTOHEAEHKIYRM-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000592334976 359820861 /nfs/dbraw/zinc/82/08/61/359820861.db2.gz LPCKSCVHNHKLRX-DCAQKATOSA-N 2 0 256.325 0.166 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426658 360300614 /nfs/dbraw/zinc/30/06/14/360300614.db2.gz QMXCDWURLSQMBU-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426682 360301412 /nfs/dbraw/zinc/30/14/12/360301412.db2.gz RBUKKROBVKFWLO-NEPJUHHUSA-N 2 0 254.378 0.887 20 30 CCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441805 360310125 /nfs/dbraw/zinc/31/01/25/360310125.db2.gz XABHJZCQBLQGKI-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)[C@@]1(CNC(=O)[C@H]([NH3+])CCCCC#N)CCSC1 ZINC000594441288 360310143 /nfs/dbraw/zinc/31/01/43/360310143.db2.gz QNIMPQPXPVCHJN-TZMCWYRMSA-N 2 0 298.456 0.951 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000594450290 360315549 /nfs/dbraw/zinc/31/55/49/360315549.db2.gz WSPLOVYWXQGVQQ-UPJWGTAASA-N 2 0 266.389 0.841 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626970962 368703974 /nfs/dbraw/zinc/70/39/74/368703974.db2.gz XHSBFSNOMRKUNP-UHFFFAOYSA-N 2 0 296.415 0.444 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579552 369723344 /nfs/dbraw/zinc/72/33/44/369723344.db2.gz GTVSGBJMNYKJQV-IHRRRGAJSA-N 2 0 254.374 0.624 20 30 CCEDRP C=CCN1CC[C@@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000337189760 389051859 /nfs/dbraw/zinc/05/18/59/389051859.db2.gz RXWGMECTSRFMNW-OAHLLOKOSA-N 2 0 294.443 0.343 20 30 CCEDRP C[C@@H]1C[N@H+](CCOCCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339059100 389123166 /nfs/dbraw/zinc/12/31/66/389123166.db2.gz FRCAXUUIXOPQTJ-HZPDHXFCSA-N 2 0 294.443 0.874 20 30 CCEDRP C=CCNC(=O)NC(=O)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000123695861 389157125 /nfs/dbraw/zinc/15/71/25/389157125.db2.gz BANAQFKBDNLLBO-LLVKDONJSA-N 2 0 270.377 0.303 20 30 CCEDRP CCCNC(=O)NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330528699 389238413 /nfs/dbraw/zinc/23/84/13/389238413.db2.gz ROSGJGRQNYLBCX-UHFFFAOYSA-N 2 0 284.404 0.700 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000345723265 389313035 /nfs/dbraw/zinc/31/30/35/389313035.db2.gz UXLPIRRGSNWQRR-SNVBAGLBSA-N 2 0 261.316 0.736 20 30 CCEDRP C=CCOCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345190872 389291860 /nfs/dbraw/zinc/29/18/60/389291860.db2.gz BBXUANCWJUOTSD-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP CN1CC[NH+]=C1NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262658404 389292281 /nfs/dbraw/zinc/29/22/81/389292281.db2.gz MGISCASFSMBJGX-UHFFFAOYSA-N 2 0 288.399 0.224 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[N@H+](C)C1 ZINC000264068507 389304909 /nfs/dbraw/zinc/30/49/09/389304909.db2.gz RIHDTSWMQODPMB-NSHDSACASA-N 2 0 250.346 0.896 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH2+]C)CC1 ZINC000430958204 389839928 /nfs/dbraw/zinc/83/99/28/389839928.db2.gz RSVPCGOCCRGBGT-NSHDSACASA-N 2 0 282.388 0.318 20 30 CCEDRP C=CC[NH+]1CCC(NC[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000567680326 390710323 /nfs/dbraw/zinc/71/03/23/390710323.db2.gz WDYHSMHWWSQQNN-HNNXBMFYSA-N 2 0 267.417 0.682 20 30 CCEDRP C=C[C@H](CO)[NH2+]Cc1cncc(C[NH2+][C@H](C=C)CO)c1 ZINC000662168623 414695313 /nfs/dbraw/zinc/69/53/13/414695313.db2.gz NQEFFHONWUSQJJ-HUUCEWRRSA-N 2 0 277.368 0.355 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662413762 414715838 /nfs/dbraw/zinc/71/58/38/414715838.db2.gz JMQSTGZIGIGLSG-OCCSQVGLSA-N 2 0 251.374 0.753 20 30 CCEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000249862038 261259082 /nfs/dbraw/zinc/25/90/82/261259082.db2.gz GGZOBFBTXOVYOX-QWHCGFSZSA-N 2 0 268.405 0.802 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000491784136 262046189 /nfs/dbraw/zinc/04/61/89/262046189.db2.gz QHAXSLTVNFKKNA-CHWSQXEVSA-N 2 0 266.389 0.320 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063199649 264644923 /nfs/dbraw/zinc/64/49/23/264644923.db2.gz OZVPITNWZMQVOB-CYBMUJFWSA-N 2 0 251.374 0.753 20 30 CCEDRP CN1CC[NH+]=C1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000261590176 327097613 /nfs/dbraw/zinc/09/76/13/327097613.db2.gz LCQUMZPZPXKVEN-HNNXBMFYSA-N 2 0 288.395 0.778 20 30 CCEDRP CN(CCC[NH+]1CCN(C)CC1)C[C@@H](C#N)CCC#N ZINC000182959814 329245932 /nfs/dbraw/zinc/24/59/32/329245932.db2.gz CCIJNZVFFBPNTL-OAHLLOKOSA-N 2 0 277.416 0.999 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](CC(C)C)CCO1)N(C)C ZINC000262167252 330001305 /nfs/dbraw/zinc/00/13/05/330001305.db2.gz BWDJTDPRPUJXMY-CYBMUJFWSA-N 2 0 270.421 0.870 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262241465 330002515 /nfs/dbraw/zinc/00/25/15/330002515.db2.gz HUJIKARYZLPMRG-NSHDSACASA-N 2 0 291.403 0.113 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262429462 330010013 /nfs/dbraw/zinc/01/00/13/330010013.db2.gz DNPPASUZMUEAKK-STQMWFEESA-N 2 0 268.405 0.896 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCSCC2)CCC1 ZINC000262814310 330033469 /nfs/dbraw/zinc/03/34/69/330033469.db2.gz VFKWSRJSLKSVSP-UHFFFAOYSA-N 2 0 256.419 0.834 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C)O1 ZINC000263151145 330046126 /nfs/dbraw/zinc/04/61/26/330046126.db2.gz PLYSKHVZDGHSTH-YNEHKIRRSA-N 2 0 268.405 0.943 20 30 CCEDRP N#C[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423182933 330175443 /nfs/dbraw/zinc/17/54/43/330175443.db2.gz KMXSOQDVZJODHZ-KGLIPLIRSA-N 2 0 250.390 0.954 20 30 CCEDRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424128329 330259535 /nfs/dbraw/zinc/25/95/35/330259535.db2.gz FFIUAYLGTOSNQW-RYUDHWBXSA-N 2 0 254.378 0.854 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[N@@H+]1C1CC1 ZINC000424137643 330275097 /nfs/dbraw/zinc/27/50/97/330275097.db2.gz BCJJHBOCRFKSBA-WZRBSPASSA-N 2 0 264.373 0.749 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1C[C@@H](C)O ZINC000424149226 330295775 /nfs/dbraw/zinc/29/57/75/330295775.db2.gz VYJRFEBHPIIWSV-MCIONIFRSA-N 2 0 296.415 0.311 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000424156704 330304292 /nfs/dbraw/zinc/30/42/92/330304292.db2.gz PXXNDEBMMBFDJF-AWEZNQCLSA-N 2 0 274.368 0.995 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C[NH3+] ZINC000424192128 330323814 /nfs/dbraw/zinc/32/38/14/330323814.db2.gz IOHYGMJDPZNWHK-IJLUTSLNSA-N 2 0 252.362 0.451 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000424199913 330326630 /nfs/dbraw/zinc/32/66/30/330326630.db2.gz QOPZOBCUHJGTRV-SOUVJXGZSA-N 2 0 286.379 0.879 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000490713560 332107257 /nfs/dbraw/zinc/10/72/57/332107257.db2.gz KUEXTYGUJJLVQV-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000491464794 332216871 /nfs/dbraw/zinc/21/68/71/332216871.db2.gz TXEYBEQZAIEAJY-ZIAGYGMSSA-N 2 0 280.416 0.758 20 30 CCEDRP CC[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+](C)C ZINC000549106738 334185496 /nfs/dbraw/zinc/18/54/96/334185496.db2.gz CSXPQCUOIGSLNW-LLVKDONJSA-N 2 0 252.362 0.431 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@@H](O)C1CC1)C[C@@H](O)C1CC1 ZINC000671241806 545244813 /nfs/dbraw/zinc/24/48/13/545244813.db2.gz DVEMZEZWVATHHZ-HZPDHXFCSA-N 2 0 280.412 0.395 20 30 CCEDRP C[C@H]1C[N@H+](Cc2ccccn2)CCC1N=NC(N)=[NH2+] ZINC000734363343 581557750 /nfs/dbraw/zinc/55/77/50/581557750.db2.gz ZAVLIIPHMUHPFB-JTQLQIEISA-N 2 0 260.345 0.762 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000754227407 581581439 /nfs/dbraw/zinc/58/14/39/581581439.db2.gz WZLSNFQFNVSJFF-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000732058266 581800231 /nfs/dbraw/zinc/80/02/31/581800231.db2.gz QVQUBFZWECIGMH-KFWWJZLASA-N 2 0 275.396 0.827 20 30 CCEDRP C=CCNC(=S)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732721831 581844625 /nfs/dbraw/zinc/84/46/25/581844625.db2.gz VYAYNVYZPNGBBT-LBPRGKRZSA-N 2 0 282.457 0.805 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH2+]C)CC1 ZINC000876526981 613387512 /nfs/dbraw/zinc/38/75/12/613387512.db2.gz NATISMCQJZEZHG-LLVKDONJSA-N 2 0 259.781 0.914 20 30 CCEDRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884250565 614225291 /nfs/dbraw/zinc/22/52/91/614225291.db2.gz HXIRJVHTKZVJQG-MXWKQRLJSA-N 2 0 252.362 0.224 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939053590 612968794 /nfs/dbraw/zinc/96/87/94/612968794.db2.gz ATOURIISTHAVNK-GXTWGEPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981310414 612971812 /nfs/dbraw/zinc/97/18/12/612971812.db2.gz BOCBBSPYMMUQNR-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000981438396 613003441 /nfs/dbraw/zinc/00/34/41/613003441.db2.gz RVEWLMQENMXCOR-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977924073 613041737 /nfs/dbraw/zinc/04/17/37/613041737.db2.gz VMKKQFUMWMSADD-APIJFGDWSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[C@H](CCOC)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863588688 613052647 /nfs/dbraw/zinc/05/26/47/613052647.db2.gz DALCPZBJFHQVLB-KGLIPLIRSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000843270773 613072804 /nfs/dbraw/zinc/07/28/04/613072804.db2.gz ZKTJPJJRMRXURV-UONOGXRCSA-N 2 0 291.395 0.411 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851662037 613075218 /nfs/dbraw/zinc/07/52/18/613075218.db2.gz SCRKWDRDHCHLSW-CYBMUJFWSA-N 2 0 268.405 0.614 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000854094320 613075242 /nfs/dbraw/zinc/07/52/42/613075242.db2.gz MDWOBDXRUNJBDA-CYBMUJFWSA-N 2 0 268.405 0.581 20 30 CCEDRP C#C[C@@H](CC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000854073641 613083109 /nfs/dbraw/zinc/08/31/09/613083109.db2.gz ZCILFQWFXIAFGS-ZDUSSCGKSA-N 2 0 268.405 0.533 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H]2C)CC1 ZINC000897518462 613133936 /nfs/dbraw/zinc/13/39/36/613133936.db2.gz HMQWQNLBGHWTNU-AWEZNQCLSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000921406332 613134865 /nfs/dbraw/zinc/13/48/65/613134865.db2.gz HDGYSSOMXYZQGT-UKRRQHHQSA-N 2 0 292.427 0.723 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000849034587 613220321 /nfs/dbraw/zinc/22/03/21/613220321.db2.gz ZJTMKEUJUJFHPS-CYBMUJFWSA-N 2 0 294.399 0.791 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000863581431 613326764 /nfs/dbraw/zinc/32/67/64/613326764.db2.gz ACMQNBCQRDDNML-CQSZACIVSA-N 2 0 263.385 0.732 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199587 613364217 /nfs/dbraw/zinc/36/42/17/613364217.db2.gz GPGOQGAMPAXOIH-UONOGXRCSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874830360 613366257 /nfs/dbraw/zinc/36/62/57/613366257.db2.gz QWIIYTOJYUSQJQ-QWHCGFSZSA-N 2 0 251.374 0.799 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000841457095 613366349 /nfs/dbraw/zinc/36/63/49/613366349.db2.gz NSAKFFFUKNLSKC-QWHCGFSZSA-N 2 0 269.389 0.018 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876807221 613387668 /nfs/dbraw/zinc/38/76/68/613387668.db2.gz ZFEQBDGBMMTHLO-ZYHUDNBSSA-N 2 0 257.765 0.668 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000876843884 613387901 /nfs/dbraw/zinc/38/79/01/613387901.db2.gz SMAZCZIGQIIOJT-LLVKDONJSA-N 2 0 289.807 0.589 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710628 613518610 /nfs/dbraw/zinc/51/86/10/613518610.db2.gz QYIDJMPBQYECNU-UTUOFQBUSA-N 2 0 251.330 0.429 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977901927 613560828 /nfs/dbraw/zinc/56/08/28/613560828.db2.gz AGKJRTSTGOCJFJ-APIJFGDWSA-N 2 0 277.412 0.951 20 30 CCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962302071 613562109 /nfs/dbraw/zinc/56/21/09/613562109.db2.gz YWSGMMVTWCTGFD-WDNDVIMCSA-N 2 0 275.396 0.705 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861573964 613674937 /nfs/dbraw/zinc/67/49/37/613674937.db2.gz NUFKJSGKTKMMRW-NSHDSACASA-N 2 0 254.378 0.625 20 30 CCEDRP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981960050 613694106 /nfs/dbraw/zinc/69/41/06/613694106.db2.gz RKTOPNBNHIINET-KGLIPLIRSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CCNC(=O)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865117 613845271 /nfs/dbraw/zinc/84/52/71/613845271.db2.gz AJMKRFQQWDJPCR-CQSZACIVSA-N 2 0 251.374 0.754 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430705 613853485 /nfs/dbraw/zinc/85/34/85/613853485.db2.gz FGFDLTJTTLPYTG-FRRDWIJNSA-N 2 0 251.374 0.561 20 30 CCEDRP CC[NH+](CC)CCSCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844195705 614999677 /nfs/dbraw/zinc/99/96/77/614999677.db2.gz YJCSPPAHDQPYSN-RYUDHWBXSA-N 2 0 284.429 0.289 20 30 CCEDRP CC[NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884014583 615085208 /nfs/dbraw/zinc/08/52/08/615085208.db2.gz QXCKLMPMZKTWRO-LXVYMNJGSA-N 2 0 264.373 0.242 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)OC(C)C ZINC000104158304 615131039 /nfs/dbraw/zinc/13/10/39/615131039.db2.gz IFHHKNORECXBNG-GFCCVEGCSA-N 2 0 284.404 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(NC[C@@H](O)C(F)(F)F)=[NH+]C ZINC000864236774 615131379 /nfs/dbraw/zinc/13/13/79/615131379.db2.gz VXRIZRKVQOMNKQ-NXEZZACHSA-N 2 0 296.337 0.559 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000848994364 615159832 /nfs/dbraw/zinc/15/98/32/615159832.db2.gz FHFIAXQPCDVNBC-CHWSQXEVSA-N 2 0 267.421 0.197 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000104175789 615241317 /nfs/dbraw/zinc/24/13/17/615241317.db2.gz QIEOQHCIWOBNLG-LBPRGKRZSA-N 2 0 256.394 0.658 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000104175794 615241388 /nfs/dbraw/zinc/24/13/88/615241388.db2.gz QIEOQHCIWOBNLG-GFCCVEGCSA-N 2 0 256.394 0.658 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000913524159 615859982 /nfs/dbraw/zinc/85/99/82/615859982.db2.gz BYLKHXNSMFCTDM-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP CN(C)C(=[NH+]C[C@]1([NH+](C)C)CCSC1)N(C)C ZINC000849003835 615945184 /nfs/dbraw/zinc/94/51/84/615945184.db2.gz JCTVMTITQRSNDV-GFCCVEGCSA-N 2 0 258.435 0.903 20 30 CCEDRP C[N@H+](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)CC(C)(C)C ZINC000876801516 616048853 /nfs/dbraw/zinc/04/88/53/616048853.db2.gz DXSIKAPGSBEOOJ-GHMZBOCLSA-N 2 0 252.362 0.192 20 30 CCEDRP C[N@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000876735265 616094550 /nfs/dbraw/zinc/09/45/50/616094550.db2.gz CDKSHWPJTYJOPE-MRXNPFEDSA-N 2 0 298.390 0.955 20 30 CCEDRP COC[C@H](CCC[NH3+])[NH2+]Cc1nc(C#N)cs1 ZINC000902447033 616640796 /nfs/dbraw/zinc/64/07/96/616640796.db2.gz QJINPEPGHGLHRT-VIFPVBQESA-N 2 0 254.359 0.858 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026046134 625325630 /nfs/dbraw/zinc/32/56/30/625325630.db2.gz VYSUIYYJMKBJNI-ZSAUSMIDSA-N 2 0 277.412 0.807 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022716817 622693947 /nfs/dbraw/zinc/69/39/47/622693947.db2.gz JCGNXJUOXORPKJ-IGQOVBAYSA-N 2 0 265.401 0.997 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001023130379 622921652 /nfs/dbraw/zinc/92/16/52/622921652.db2.gz LFICWKXVMRFFEH-HZSPNIEDSA-N 2 0 263.385 0.731 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001019772659 623907390 /nfs/dbraw/zinc/90/73/90/623907390.db2.gz NVRSWODYUGOOPJ-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001020026613 623970315 /nfs/dbraw/zinc/97/03/15/623970315.db2.gz ZRBOJEPAWPEIBH-AVGNSLFASA-N 2 0 251.374 0.894 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304758863 624488399 /nfs/dbraw/zinc/48/83/99/624488399.db2.gz QOJFGGZLTBBBBH-LBPRGKRZSA-N 3 0 269.437 0.763 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591150 624544652 /nfs/dbraw/zinc/54/46/52/624544652.db2.gz GAIAJCWICXAIQP-ZDEQEGDKSA-N 2 0 251.374 0.607 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020925803 624625903 /nfs/dbraw/zinc/62/59/03/624625903.db2.gz YLPALVOVASWAST-JHJVBQTASA-N 2 0 251.374 0.751 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120428 624876824 /nfs/dbraw/zinc/87/68/24/624876824.db2.gz MLHZKJVZWIRHCD-LXTVHRRPSA-N 2 0 293.411 0.663 20 30 CCEDRP C[C@H]1C[C@H](CN2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427915 634746034 /nfs/dbraw/zinc/74/60/34/634746034.db2.gz AMZKNIVRGCLJHU-DGAVXFQQSA-N 2 0 297.424 0.245 20 30 CCEDRP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001027805710 630936005 /nfs/dbraw/zinc/93/60/05/630936005.db2.gz AVZYPRGAALNTBJ-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCC1 ZINC000261733249 631557189 /nfs/dbraw/zinc/55/71/89/631557189.db2.gz HNYDHQOAWSDABF-LBPRGKRZSA-N 2 0 268.405 0.944 20 30 CCEDRP C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261861497 631660002 /nfs/dbraw/zinc/66/00/02/631660002.db2.gz YMONRCYCLHMOCS-NEPJUHHUSA-N 2 0 279.388 0.862 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303897703 632493455 /nfs/dbraw/zinc/49/34/55/632493455.db2.gz QUTDZGFQXJWHHN-NEPJUHHUSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261995588 633112992 /nfs/dbraw/zinc/11/29/92/633112992.db2.gz SHUBOGLTZUPYSY-GXTWGEPZSA-N 2 0 294.443 0.939 20 30 CCEDRP C#CCN1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673726 633343704 /nfs/dbraw/zinc/34/37/04/633343704.db2.gz UYFPWKWUDOPNRW-OAHLLOKOSA-N 2 0 293.411 0.122 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009519324 650147172 /nfs/dbraw/zinc/14/71/72/650147172.db2.gz UNEVCDZPICMTOC-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP CC(C)[C@H](CNC(=[NH2+])N(C)C)N1CC[NH+](C)CC1 ZINC000170910329 637104986 /nfs/dbraw/zinc/10/49/86/637104986.db2.gz KOCPMQCGAMYBHZ-LBPRGKRZSA-N 2 0 255.410 0.135 20 30 CCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992415486 637397721 /nfs/dbraw/zinc/39/77/21/637397721.db2.gz ARNLHWBCFOVULM-GOEBONIOSA-N 2 0 286.379 0.709 20 30 CCEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992432154 637405479 /nfs/dbraw/zinc/40/54/79/637405479.db2.gz POMYCKJKVPZUMH-WMLDXEAASA-N 2 0 287.407 0.829 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996615840 638824645 /nfs/dbraw/zinc/82/46/45/638824645.db2.gz RDHVQALOHPJCOW-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CC1(C)C ZINC000996640753 638825933 /nfs/dbraw/zinc/82/59/33/638825933.db2.gz BRODTBHTFBNJPY-UONOGXRCSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996679050 638828377 /nfs/dbraw/zinc/82/83/77/638828377.db2.gz PQNBSUVNZTXRTL-AWEZNQCLSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997010378 638848391 /nfs/dbraw/zinc/84/83/91/638848391.db2.gz USAWXIICCOETCA-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997421032 638867435 /nfs/dbraw/zinc/86/74/35/638867435.db2.gz MSKZHDJXCWIHBH-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014495154 650456797 /nfs/dbraw/zinc/45/67/97/650456797.db2.gz RATHNOWFPQIQTK-JHJVBQTASA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001145796 639245340 /nfs/dbraw/zinc/24/53/40/639245340.db2.gz VSFGIKXNUSGKRL-HIFRSBDPSA-N 2 0 275.396 0.566 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014728069 650482283 /nfs/dbraw/zinc/48/22/83/650482283.db2.gz KPGFMKIJOLUIFZ-UONOGXRCSA-N 2 0 286.379 0.974 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001014728067 650482430 /nfs/dbraw/zinc/48/24/30/650482430.db2.gz KPGFMKIJOLUIFZ-KBPBESRZSA-N 2 0 286.379 0.974 20 30 CCEDRP C[C@H](C#N)OCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000801935745 640677745 /nfs/dbraw/zinc/67/77/45/640677745.db2.gz CUJJDBMHMOFZKZ-CQSZACIVSA-N 2 0 282.432 0.873 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016251535 650705824 /nfs/dbraw/zinc/70/58/24/650705824.db2.gz VPXQOMOGPZVPFY-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000834500095 642589319 /nfs/dbraw/zinc/58/93/19/642589319.db2.gz QDIBPVNVHLMTGD-JQWIXIFHSA-N 2 0 255.281 0.176 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC000844194756 643177564 /nfs/dbraw/zinc/17/75/64/643177564.db2.gz KDKKXKXBPZOHTF-OLZOCXBDSA-N 2 0 264.373 0.480 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852828514 644014199 /nfs/dbraw/zinc/01/41/99/644014199.db2.gz YGXWLFLDIULZHO-KWCYVHTRSA-N 2 0 270.336 0.449 20 30 CCEDRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@@H]21 ZINC000852874814 644036212 /nfs/dbraw/zinc/03/62/12/644036212.db2.gz CGZIQVNPOSJBFB-SOUVJXGZSA-N 2 0 275.396 0.575 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000852874566 644036398 /nfs/dbraw/zinc/03/63/98/644036398.db2.gz RJUNZRKPFMFUDA-CVEARBPZSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000852880889 644039782 /nfs/dbraw/zinc/03/97/82/644039782.db2.gz FPBKMWDQZAFHJV-LLVKDONJSA-N 2 0 271.311 0.103 20 30 CCEDRP C[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000852895634 644047930 /nfs/dbraw/zinc/04/79/30/644047930.db2.gz GEOHFXFDTSWHQA-ZFWWWQNUSA-N 2 0 277.412 0.965 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001019381447 650967635 /nfs/dbraw/zinc/96/76/35/650967635.db2.gz JMEBYIMNRSSZRA-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[NH2+]C1 ZINC000867966718 645691026 /nfs/dbraw/zinc/69/10/26/645691026.db2.gz SZXVDJGLPJUDBM-OCCSQVGLSA-N 2 0 270.336 0.223 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001020161756 651045365 /nfs/dbraw/zinc/04/53/65/651045365.db2.gz NRAPNOFWADMQBQ-MGPQQGTHSA-N 2 0 263.385 0.751 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000876801344 646668424 /nfs/dbraw/zinc/66/84/24/646668424.db2.gz BKWZGYBPHNMALU-NEPJUHHUSA-N 2 0 262.357 0.090 20 30 CCEDRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876830219 646675714 /nfs/dbraw/zinc/67/57/14/646675714.db2.gz DNLDBRSILQWYCN-XFBWCDHKSA-N 2 0 298.390 0.859 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227473 647671649 /nfs/dbraw/zinc/67/16/49/647671649.db2.gz QHQXRXIJJZVXAQ-REWIBIJMSA-N 2 0 290.411 0.584 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@@H]1CC[NH3+])C2 ZINC000884286335 647695452 /nfs/dbraw/zinc/69/54/52/647695452.db2.gz BRJBLJOPEKAGPU-MYMJJRTCSA-N 2 0 290.411 0.856 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303708087 649823987 /nfs/dbraw/zinc/82/39/87/649823987.db2.gz MSTTXLOROIXTMW-ZDUSSCGKSA-N 3 0 269.437 0.717 20 30 CCEDRP CC(C)[C@@H](CNC(=[NH2+])NCC1CCC1)N1CC[NH+](C)CC1 ZINC000303782834 649824981 /nfs/dbraw/zinc/82/49/81/649824981.db2.gz NQZHMQZBTAJIME-OAHLLOKOSA-N 2 0 295.475 0.963 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303781432 649825117 /nfs/dbraw/zinc/82/51/17/649825117.db2.gz MFLKAMHJGZGRSF-ZDUSSCGKSA-N 2 0 270.421 1.000 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC)c1 ZINC000303792341 649825390 /nfs/dbraw/zinc/82/53/90/649825390.db2.gz YKBKPGXJDDWCNA-CYBMUJFWSA-N 2 0 291.399 0.979 20 30 CCEDRP CCCNC(=O)CCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303865562 649825819 /nfs/dbraw/zinc/82/58/19/649825819.db2.gz BQBOGYQOWZQUFY-GFCCVEGCSA-N 2 0 283.420 0.291 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCC2CCC2)CC1 ZINC000303877566 649826152 /nfs/dbraw/zinc/82/61/52/649826152.db2.gz IROQAHJIEWIQFM-CQSZACIVSA-N 2 0 295.475 0.964 20 30 CCEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303911733 649826889 /nfs/dbraw/zinc/82/68/89/649826889.db2.gz ZTXWDLTUXWMUNJ-UHFFFAOYSA-N 2 0 256.394 0.803 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303972480 649827580 /nfs/dbraw/zinc/82/75/80/649827580.db2.gz FUACXNUTKDAGRJ-CYBMUJFWSA-N 2 0 297.447 0.489 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)OC ZINC000304745617 649838313 /nfs/dbraw/zinc/83/83/13/649838313.db2.gz FGXYKGVTOWDHRA-LLVKDONJSA-N 2 0 256.394 0.800 20 30 CCEDRP C=CCOCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267766 805589282 /nfs/dbraw/zinc/58/92/82/805589282.db2.gz JWGRWNXXTSVBNO-UHFFFAOYSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CCOCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266321923 790503026 /nfs/dbraw/zinc/50/30/26/790503026.db2.gz ZRRDRJYTRACFGR-UHFFFAOYSA-N 2 0 283.416 0.579 20 30 CCEDRP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001266437805 790702466 /nfs/dbraw/zinc/70/24/66/790702466.db2.gz MPBQELZOHDEPHP-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266548582 790910301 /nfs/dbraw/zinc/91/03/01/790910301.db2.gz CREWZCJCPJUAOI-CABCVRRESA-N 2 0 295.427 0.579 20 30 CCEDRP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001277693332 805963808 /nfs/dbraw/zinc/96/38/08/805963808.db2.gz KEEYOHDFROXUFH-CYBMUJFWSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266711048 791167582 /nfs/dbraw/zinc/16/75/82/791167582.db2.gz KCFFKUSAKBHBFT-FRRDWIJNSA-N 2 0 251.374 0.443 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246033846 807128255 /nfs/dbraw/zinc/12/82/55/807128255.db2.gz NRZNDSRRGYXGOT-HOTGVXAUSA-N 2 0 280.412 0.851 20 30 CCEDRP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001277978954 806543981 /nfs/dbraw/zinc/54/39/81/806543981.db2.gz NGJBAYPZYRZVOQ-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001120591016 798880202 /nfs/dbraw/zinc/88/02/02/798880202.db2.gz STBNWYVKKLPLLC-OAHLLOKOSA-N 2 0 277.412 0.838 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001121922544 799094499 /nfs/dbraw/zinc/09/44/99/799094499.db2.gz LJZZSYOBXMWCMZ-GJZGRUSLSA-N 2 0 295.427 0.851 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC001122064929 799134401 /nfs/dbraw/zinc/13/44/01/799134401.db2.gz CJHCRFUMIZQOKV-CYBMUJFWSA-N 2 0 298.431 0.148 20 30 CCEDRP C#CCNCC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC001122131620 799151605 /nfs/dbraw/zinc/15/16/05/799151605.db2.gz ALGNPAJZXKCBMP-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001276399933 799816636 /nfs/dbraw/zinc/81/66/36/799816636.db2.gz RZTJVPGXMLPDJJ-UHFFFAOYSA-N 2 0 253.390 0.788 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150219231 800325178 /nfs/dbraw/zinc/32/51/78/800325178.db2.gz MMSVRZGEOARAAF-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151814270 800461527 /nfs/dbraw/zinc/46/15/27/800461527.db2.gz GQFQMPNFSFDNSR-CQSZACIVSA-N 2 0 281.400 0.379 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCC)CC1 ZINC001152330256 800510898 /nfs/dbraw/zinc/51/08/98/800510898.db2.gz KGLCPDUUAMAKEK-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154838157 800855326 /nfs/dbraw/zinc/85/53/26/800855326.db2.gz QMEIQIZZKONVAW-HUUCEWRRSA-N 2 0 295.427 0.555 20 30 CCEDRP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789186 801050393 /nfs/dbraw/zinc/05/03/93/801050393.db2.gz AYDNKJATIFKHEH-LLVKDONJSA-N 2 0 259.781 0.929 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927322 801265469 /nfs/dbraw/zinc/26/54/69/801265469.db2.gz LRFLCWHAWDZLGJ-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899325 801512418 /nfs/dbraw/zinc/51/24/18/801512418.db2.gz PGEGLYPZDWEBRI-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486811 801658422 /nfs/dbraw/zinc/65/84/22/801658422.db2.gz RUYATQJHXURCAF-OLZOCXBDSA-N 2 0 267.373 0.132 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155908 801767398 /nfs/dbraw/zinc/76/73/98/801767398.db2.gz WKOUEHLKXNACNU-LBPRGKRZSA-N 2 0 259.369 0.948 20 30 CCEDRP C=CCNC(=O)c1cccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001159787109 801871366 /nfs/dbraw/zinc/87/13/66/801871366.db2.gz RKEKGUHXJDSKOL-NSHDSACASA-N 2 0 263.345 0.433 20 30 CCEDRP N#C[C@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160640549 801986050 /nfs/dbraw/zinc/98/60/50/801986050.db2.gz HGVCVOFBYUZRNN-OLZOCXBDSA-N 2 0 276.384 0.623 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160668698 801994701 /nfs/dbraw/zinc/99/47/01/801994701.db2.gz ZCPCWNMNIXYIMM-AWEZNQCLSA-N 2 0 274.368 0.995 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2COC[C@@H]2[NH3+])cc1C#N ZINC001162925176 802438582 /nfs/dbraw/zinc/43/85/82/802438582.db2.gz PZRIAVNTXDGZJP-ZWSCYVBNSA-N 2 0 273.340 0.918 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163833459 802621468 /nfs/dbraw/zinc/62/14/68/802621468.db2.gz OSSYKLNUTOBUQG-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001264733961 809674418 /nfs/dbraw/zinc/67/44/18/809674418.db2.gz VWOOFDPMHIAHCE-KGLIPLIRSA-N 2 0 265.401 0.929 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694068 802941084 /nfs/dbraw/zinc/94/10/84/802941084.db2.gz VCXZQDODDXYWTO-QWHCGFSZSA-N 2 0 253.390 0.856 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cn1 ZINC001205229806 803127384 /nfs/dbraw/zinc/12/73/84/803127384.db2.gz PJPJCPLPALSUGA-AWEZNQCLSA-N 2 0 260.341 0.629 20 30 CCEDRP N#Cc1cncc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205228364 803128026 /nfs/dbraw/zinc/12/80/26/803128026.db2.gz DOZYYBATJJNWMI-CQSZACIVSA-N 2 0 260.341 0.629 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873881 803297236 /nfs/dbraw/zinc/29/72/36/803297236.db2.gz UJVFWBLXUIDUIU-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206929226 803310160 /nfs/dbraw/zinc/31/01/60/803310160.db2.gz ZVPJUQLQJLVMOA-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070156 803485547 /nfs/dbraw/zinc/48/55/47/803485547.db2.gz FIGRFHXVEHIYOD-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210218287 803642785 /nfs/dbraw/zinc/64/27/85/803642785.db2.gz QEXMELKCJWHVCB-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210420657 803649856 /nfs/dbraw/zinc/64/98/56/803649856.db2.gz GNYSMYKIFCEXCF-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001210493708 803652239 /nfs/dbraw/zinc/65/22/39/803652239.db2.gz NZPSSPVTNIQJHV-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685419 803657668 /nfs/dbraw/zinc/65/76/68/803657668.db2.gz VRSDWGJEJDVJNC-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211090209 803667472 /nfs/dbraw/zinc/66/74/72/803667472.db2.gz ICDHAMMIQRSMEQ-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335935 803735091 /nfs/dbraw/zinc/73/50/91/803735091.db2.gz ODAWGTHFLQIQPZ-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000402161733 803814883 /nfs/dbraw/zinc/81/48/83/803814883.db2.gz QFFXAYHJVJDKJZ-CQSZACIVSA-N 2 0 275.352 0.377 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216002596 803831872 /nfs/dbraw/zinc/83/18/72/803831872.db2.gz WTOFNGRMJHPEJF-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C[C@@H](C[NH3+])C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC001218554600 804002595 /nfs/dbraw/zinc/00/25/95/804002595.db2.gz UKBMIOOASBURFL-ZETCQYMHSA-N 2 0 264.354 0.799 20 30 CCEDRP CC(C)(C#N)c1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001218582661 804019853 /nfs/dbraw/zinc/01/98/53/804019853.db2.gz YUBHPRDVKQOGQI-LLVKDONJSA-N 2 0 275.356 0.887 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc(C#N)n1 ZINC001218588374 804024000 /nfs/dbraw/zinc/02/40/00/804024000.db2.gz VOOWLICKNORSPT-NSHDSACASA-N 2 0 261.329 0.609 20 30 CCEDRP N#Cc1nc[nH]c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218595905 804027811 /nfs/dbraw/zinc/02/78/11/804027811.db2.gz XPKCHXZOCWTUTJ-VIFPVBQESA-N 2 0 274.328 0.094 20 30 CCEDRP COc1cccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1C#N ZINC001218978066 804171809 /nfs/dbraw/zinc/17/18/09/804171809.db2.gz LEDJLFITITYDKH-NSHDSACASA-N 2 0 276.340 0.962 20 30 CCEDRP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC001219132700 804211647 /nfs/dbraw/zinc/21/16/47/804211647.db2.gz PRJKHYWXPNZTSH-LBPRGKRZSA-N 2 0 290.323 0.350 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219845550 804431267 /nfs/dbraw/zinc/43/12/67/804431267.db2.gz MOKBTOMMPLOJSL-ILXRZTDVSA-N 2 0 297.443 0.700 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056435 804725060 /nfs/dbraw/zinc/72/50/60/804725060.db2.gz SCHICPLRSNVYAF-YDHLFZDLSA-N 2 0 279.384 0.097 20 30 CCEDRP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221922024 804855233 /nfs/dbraw/zinc/85/52/33/804855233.db2.gz WGUVSBAUGBKURK-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222053730 804860433 /nfs/dbraw/zinc/86/04/33/804860433.db2.gz ZYUMTGRAFGJBQJ-HUUCEWRRSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001226775639 805279139 /nfs/dbraw/zinc/27/91/39/805279139.db2.gz VCJMNULOQMUTJD-KFWWJZLASA-N 2 0 277.412 0.977 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246021448 807119898 /nfs/dbraw/zinc/11/98/98/807119898.db2.gz MOXLXMJVUCQPAI-KGLIPLIRSA-N 2 0 254.374 0.448 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1F ZINC001246276516 807204474 /nfs/dbraw/zinc/20/44/74/807204474.db2.gz MCEVUBDOPFWPPW-CYBMUJFWSA-N 2 0 274.343 0.881 20 30 CCEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCC[NH2+]C2)cc1 ZINC001246303823 807215420 /nfs/dbraw/zinc/21/54/20/807215420.db2.gz JBBDKZQVNDEMEJ-GFCCVEGCSA-N 2 0 261.325 0.931 20 30 CCEDRP C[C@@H]1C[N@@H+]([C@H]2CCN[C@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246563933 807291933 /nfs/dbraw/zinc/29/19/33/807291933.db2.gz WCXVQEFNUGWSTO-RFGFWPKPSA-N 2 0 250.390 0.937 20 30 CCEDRP C=CCCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001247625073 807471292 /nfs/dbraw/zinc/47/12/92/807471292.db2.gz USTSFQVEXWMZFC-UHFFFAOYSA-N 2 0 272.462 0.862 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001251896932 807741614 /nfs/dbraw/zinc/74/16/14/807741614.db2.gz QBRRQHLMGIVZJK-HZSPNIEDSA-N 2 0 254.374 0.460 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001252470376 807881449 /nfs/dbraw/zinc/88/14/49/807881449.db2.gz KITXKWORDZMIMB-KBPBESRZSA-N 2 0 254.374 0.578 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)C=C)CC1 ZINC001253588677 808093906 /nfs/dbraw/zinc/09/39/06/808093906.db2.gz ZMKVEHJCATXYMN-INIZCTEOSA-N 2 0 279.428 0.825 20 30 CCEDRP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001278737970 808127357 /nfs/dbraw/zinc/12/73/57/808127357.db2.gz XJRBBMXOKKSJBW-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278833907 808307657 /nfs/dbraw/zinc/30/76/57/808307657.db2.gz YLNZIPIXPNTXSB-UONOGXRCSA-N 2 0 283.416 0.313 20 30 CCEDRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001261552604 809018100 /nfs/dbraw/zinc/01/81/00/809018100.db2.gz WRTIMWYWLRACOX-YPMHNXCESA-N 2 0 266.389 0.983 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001261552117 809018493 /nfs/dbraw/zinc/01/84/93/809018493.db2.gz GUXZMHVVCISCEI-AWEZNQCLSA-N 2 0 296.415 0.754 20 30 CCEDRP COC1CC[NH+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001261552562 809019220 /nfs/dbraw/zinc/01/92/20/809019220.db2.gz VTDQAVBWBZXPIJ-AWEZNQCLSA-N 2 0 296.415 0.625 20 30 CCEDRP Nc1cc[nH+]c(CNC(=O)C#CC2CC[NH2+]CC2)c1 ZINC001262048603 809173130 /nfs/dbraw/zinc/17/31/30/809173130.db2.gz XZMZQKRKJISAKS-UHFFFAOYSA-N 2 0 258.325 0.283 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC001263101333 809444291 /nfs/dbraw/zinc/44/42/91/809444291.db2.gz PIOHRRFUKBBGOP-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)[C@H]2C1 ZINC001263318698 809509148 /nfs/dbraw/zinc/50/91/48/809509148.db2.gz RTKIKOVROYCUNR-SOUVJXGZSA-N 2 0 275.396 0.446 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001263318697 809509174 /nfs/dbraw/zinc/50/91/74/809509174.db2.gz RTKIKOVROYCUNR-RRFJBIMHSA-N 2 0 275.396 0.446 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809286 809573605 /nfs/dbraw/zinc/57/36/05/809573605.db2.gz JXUINJMJYXNBSZ-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001263874088 809595707 /nfs/dbraw/zinc/59/57/07/809595707.db2.gz QSYRJHXDUCUMKA-SHTZXODSSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001264635817 809668558 /nfs/dbraw/zinc/66/85/58/809668558.db2.gz JBFMCHXGJUWQBO-HNNXBMFYSA-N 2 0 295.427 0.554 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265624463 809815687 /nfs/dbraw/zinc/81/56/87/809815687.db2.gz SAZBMNQVYIYOCD-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001266101095 809936094 /nfs/dbraw/zinc/93/60/94/809936094.db2.gz SSIPYNHRYHXGDB-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266174587 809954152 /nfs/dbraw/zinc/95/41/52/809954152.db2.gz MYEWEHXAIMLWTR-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001279316017 809975094 /nfs/dbraw/zinc/97/50/94/809975094.db2.gz VDKVXVHOLNOHBT-NRXISQOPSA-N 2 0 295.427 0.555 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267303154 811122776 /nfs/dbraw/zinc/12/27/76/811122776.db2.gz KVOLDPFIWWWZEH-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167737563 811769427 /nfs/dbraw/zinc/76/94/27/811769427.db2.gz VHDYAOPDZSMFHG-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267805322 811799511 /nfs/dbraw/zinc/79/95/11/811799511.db2.gz OZWSPOKALKMQJB-KGLIPLIRSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267805320 811799771 /nfs/dbraw/zinc/79/97/71/811799771.db2.gz OZWSPOKALKMQJB-KBPBESRZSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267805325 811799795 /nfs/dbraw/zinc/79/97/95/811799795.db2.gz OZWSPOKALKMQJB-ZIAGYGMSSA-N 2 0 263.385 0.446 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268009915 811948021 /nfs/dbraw/zinc/94/80/21/811948021.db2.gz LFWZRMVEYXSYKS-ZIAGYGMSSA-N 2 0 267.417 0.938 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001268033645 812052386 /nfs/dbraw/zinc/05/23/86/812052386.db2.gz WUVAHEJBGRJQRI-ZDUSSCGKSA-N 2 0 263.385 0.732 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268099734 812257232 /nfs/dbraw/zinc/25/72/32/812257232.db2.gz HPCSDQKTUPMAPP-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001268220138 812373207 /nfs/dbraw/zinc/37/32/07/812373207.db2.gz GTZMYBDPUFXYMI-OAHLLOKOSA-N 2 0 295.427 0.461 20 30 CCEDRP N#Cc1nc(NC(=[NH2+])NCCCC[NH3+])cc2nc[nH]c21 ZINC001167877508 812373537 /nfs/dbraw/zinc/37/35/37/812373537.db2.gz DTPZTJMDSISEKN-UHFFFAOYSA-N 2 0 272.316 0.505 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001268226299 812382807 /nfs/dbraw/zinc/38/28/07/812382807.db2.gz GVXGAGHVKLRROB-HUUCEWRRSA-N 2 0 295.427 0.318 20 30 CCEDRP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268237377 812401975 /nfs/dbraw/zinc/40/19/75/812401975.db2.gz OBMSXLFXLGAHQE-CHWSQXEVSA-N 2 0 253.390 0.903 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268329442 812493426 /nfs/dbraw/zinc/49/34/26/812493426.db2.gz UKQLYSYAAIQXOX-HNNXBMFYSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001268426264 812561201 /nfs/dbraw/zinc/56/12/01/812561201.db2.gz MAXVYTWRGRTRFM-OAHLLOKOSA-N 2 0 289.423 0.839 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268751248 813061778 /nfs/dbraw/zinc/06/17/78/813061778.db2.gz KNBQVJONSHNUSU-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001268866793 813124585 /nfs/dbraw/zinc/12/45/85/813124585.db2.gz ARCLXFHJHRBASO-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001269902777 813551067 /nfs/dbraw/zinc/55/10/67/813551067.db2.gz UQZNUCYJFGXVDU-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001269958524 813567353 /nfs/dbraw/zinc/56/73/53/813567353.db2.gz GSPBHNNNBYWWDW-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001269970461 813571797 /nfs/dbraw/zinc/57/17/97/813571797.db2.gz CVGHMFDYWUMDPL-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001269970458 813571809 /nfs/dbraw/zinc/57/18/09/813571809.db2.gz CVGHMFDYWUMDPL-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028985355 813725052 /nfs/dbraw/zinc/72/50/52/813725052.db2.gz KKQJPELMQZQSCW-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043850 814303087 /nfs/dbraw/zinc/30/30/87/814303087.db2.gz MTVKCQPHXRUHBX-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271210748 814335915 /nfs/dbraw/zinc/33/59/15/814335915.db2.gz SVWGNPZEIGQPAE-HOCLYGCPSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001271548037 814474077 /nfs/dbraw/zinc/47/40/77/814474077.db2.gz AQNPSHFIGFMDKK-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100900000 814748325 /nfs/dbraw/zinc/74/83/25/814748325.db2.gz LDZUZZKXAJKRTF-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162732 816010122 /nfs/dbraw/zinc/01/01/22/816010122.db2.gz LGJCKNBHZRKJJZ-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857432 816084449 /nfs/dbraw/zinc/08/44/49/816084449.db2.gz PBPZTNLUJCBKIK-MJBXVCDLSA-N 2 0 263.385 0.683 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088859603 816090367 /nfs/dbraw/zinc/09/03/67/816090367.db2.gz GWLMQKNGJPXUMU-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088984192 816203021 /nfs/dbraw/zinc/20/30/21/816203021.db2.gz MFKUCZSQCLHVNL-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106598294 816819841 /nfs/dbraw/zinc/81/98/41/816819841.db2.gz ZPJNLLXCLQGTRC-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785561 817868036 /nfs/dbraw/zinc/86/80/36/817868036.db2.gz NAPKZIBIXBKNDD-QWHCGFSZSA-N 2 0 267.373 0.132 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033471653 818783645 /nfs/dbraw/zinc/78/36/45/818783645.db2.gz NIQZHPHCILNUOZ-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662223 818882702 /nfs/dbraw/zinc/88/27/02/818882702.db2.gz PAEOMQKAAQMWLW-STQMWFEESA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034042812 819041083 /nfs/dbraw/zinc/04/10/83/819041083.db2.gz PYZXLPPLCQNPEQ-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528274 819229776 /nfs/dbraw/zinc/22/97/76/819229776.db2.gz LKHKFCKUSNJNNH-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035851687 819632475 /nfs/dbraw/zinc/63/24/75/819632475.db2.gz IYOKDPMXZJSSMF-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080934760 820657543 /nfs/dbraw/zinc/65/75/43/820657543.db2.gz AOGXUBDCHNFFQY-FRRDWIJNSA-N 2 0 251.374 0.561 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135148 820905458 /nfs/dbraw/zinc/90/54/58/820905458.db2.gz QPHQPRQCIMVIRT-BFHYXJOUSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082920287 821060304 /nfs/dbraw/zinc/06/03/04/821060304.db2.gz XVIVMEAUJDMXPC-JHJVBQTASA-N 2 0 251.374 0.561 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365392 821978632 /nfs/dbraw/zinc/97/86/32/821978632.db2.gz GVKUMVQXAGLRDO-CQSZACIVSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100042070 822148784 /nfs/dbraw/zinc/14/87/84/822148784.db2.gz SPPNBSBIGHIOLZ-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129839436 837572529 /nfs/dbraw/zinc/57/25/29/837572529.db2.gz ACUFDRFBTQCYJS-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)c1cc2c[nH]ccc-2n1 ZINC001130268709 837744536 /nfs/dbraw/zinc/74/45/36/837744536.db2.gz FSVSQVARAKDXLZ-UHFFFAOYSA-N 2 0 256.309 0.906 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373900 836432807 /nfs/dbraw/zinc/43/28/07/836432807.db2.gz DFXYSRASLIKLSW-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977642 836751416 /nfs/dbraw/zinc/75/14/16/836751416.db2.gz SNTQAAKQCMXVNX-RDBSUJKOSA-N 2 0 281.400 0.472 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466706 837116118 /nfs/dbraw/zinc/11/61/18/837116118.db2.gz TVCUBSLDEQLMPR-UHFFFAOYSA-N 2 0 283.416 0.409 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130711102 837901492 /nfs/dbraw/zinc/90/14/92/837901492.db2.gz NKMWPWDWVVXUGB-OAHLLOKOSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808418 837930231 /nfs/dbraw/zinc/93/02/31/837930231.db2.gz AQLKNBJPMFHUIV-UHFFFAOYSA-N 2 0 281.400 0.523 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520513 838121334 /nfs/dbraw/zinc/12/13/34/838121334.db2.gz ZYXGBVSOXVKSQK-OWYJLGKBSA-N 2 0 279.384 0.132 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132367605 838373357 /nfs/dbraw/zinc/37/33/57/838373357.db2.gz DCORYDSJXFBMSJ-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756786 839009974 /nfs/dbraw/zinc/00/99/74/839009974.db2.gz QLZCISZWBZGGFK-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135096022 839160695 /nfs/dbraw/zinc/16/06/95/839160695.db2.gz ZAVKAYTXHDGZLG-CABCVRRESA-N 2 0 293.411 0.359 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416490 844418396 /nfs/dbraw/zinc/41/83/96/844418396.db2.gz WYZRDDKYYDNSPR-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001185610520 844437702 /nfs/dbraw/zinc/43/77/02/844437702.db2.gz ZGMVTNSUCMLKJD-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135975695 839489364 /nfs/dbraw/zinc/48/93/64/839489364.db2.gz ASYSGAFYZSALGG-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP N#CCc1nc(Cl)cc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170896924 839540842 /nfs/dbraw/zinc/54/08/42/839540842.db2.gz BPKSLWATOXZMIW-MRVPVSSYSA-N 2 0 254.725 0.632 20 30 CCEDRP CCOC(=O)c1cnc(N[C@H]([NH3+])CCC[NH3+])c(C#N)c1 ZINC001170900395 839550205 /nfs/dbraw/zinc/55/02/05/839550205.db2.gz TUFYHIGMNHYAIV-NSHDSACASA-N 2 0 277.328 0.566 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001185789493 844459804 /nfs/dbraw/zinc/45/98/04/844459804.db2.gz VCJFLRHFYODTPQ-CABCVRRESA-N 2 0 288.395 0.981 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160667942 840113708 /nfs/dbraw/zinc/11/37/08/840113708.db2.gz OLRRWPQXRVFKIR-CQSZACIVSA-N 2 0 284.363 0.348 20 30 CCEDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)/C=C/C(=O)c1ccccc1 ZINC001144713910 840122270 /nfs/dbraw/zinc/12/22/70/840122270.db2.gz CPFRAJTXKOJZHP-CMDGGOBGSA-N 2 0 288.351 0.886 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593019 840328637 /nfs/dbraw/zinc/32/86/37/840328637.db2.gz MLMXSOGYUHAULO-CABCVRRESA-N 2 0 297.443 0.849 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146594779 840332392 /nfs/dbraw/zinc/33/23/92/840332392.db2.gz UTCVHGXPRKQCBJ-CHWSQXEVSA-N 2 0 253.390 0.833 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657907 840651073 /nfs/dbraw/zinc/65/10/73/840651073.db2.gz GZZWYRFQYGKVJL-CQSZACIVSA-N 2 0 295.402 0.834 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093195137 841172394 /nfs/dbraw/zinc/17/23/94/841172394.db2.gz LBNVUWPLEGZWHC-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036811351 841244369 /nfs/dbraw/zinc/24/43/69/841244369.db2.gz PJEPADWMDBORKW-CVEARBPZSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176857227 842450375 /nfs/dbraw/zinc/45/03/75/842450375.db2.gz SYDXOHUEDUYZHR-OKILXGFUSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](C)OC)CC1 ZINC001176925946 842452362 /nfs/dbraw/zinc/45/23/62/842452362.db2.gz DUBGSYAIPQGUKC-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435776 842997538 /nfs/dbraw/zinc/99/75/38/842997538.db2.gz WETMOXOYZRVSQC-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623256 843867276 /nfs/dbraw/zinc/86/72/76/843867276.db2.gz IZECPLXTENBHEM-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP N#CCc1cccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001188682386 844947034 /nfs/dbraw/zinc/94/70/34/844947034.db2.gz NENQYBIKIHNBLR-UHFFFAOYSA-N 2 0 273.340 0.827 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386066 845834318 /nfs/dbraw/zinc/83/43/18/845834318.db2.gz NBLZSTWUTLPFPU-KGLIPLIRSA-N 2 0 265.401 0.883 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001193892575 846177238 /nfs/dbraw/zinc/17/72/38/846177238.db2.gz SUMHOIGHBRKCTJ-RBSFLKMASA-N 2 0 295.427 0.598 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002768 846196146 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C#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863380 847817650 /nfs/dbraw/zinc/81/76/50/847817650.db2.gz LXTNQFFFWNVFMF-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864367 847820345 /nfs/dbraw/zinc/82/03/45/847820345.db2.gz WEVGPOFVWXLBPH-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056813 847851870 /nfs/dbraw/zinc/85/18/70/847851870.db2.gz BWEOZOIFBQMAPK-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001274297863 848443983 /nfs/dbraw/zinc/44/39/83/848443983.db2.gz LLSSUTFXEUXYEZ-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001275144020 848650722 /nfs/dbraw/zinc/65/07/22/848650722.db2.gz SXJUGYZZRLWYHK-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001275203615 848663769 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CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776310 851612605 /nfs/dbraw/zinc/61/26/05/851612605.db2.gz DHVVRIHMIHGOAF-HNNXBMFYSA-N 2 0 275.396 0.686 20 30 CCEDRP C=CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046833248 851626292 /nfs/dbraw/zinc/62/62/92/851626292.db2.gz DXNMQWPHXQZFJV-GXTWGEPZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001048863234 852086829 /nfs/dbraw/zinc/08/68/29/852086829.db2.gz MIXWCCLKPKCFMV-OKILXGFUSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048860180 852088064 /nfs/dbraw/zinc/08/80/64/852088064.db2.gz JTZMPWGDDAPVBI-GASCZTMLSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058460 852149734 /nfs/dbraw/zinc/14/97/34/852149734.db2.gz YLIOSVIHFVZRKT-OAGGEKHMSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392252 852256306 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CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073555288 854591734 /nfs/dbraw/zinc/59/17/34/854591734.db2.gz ZFQYZNZHBFUIGO-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890337 854658688 /nfs/dbraw/zinc/65/86/88/854658688.db2.gz CGXFKCBLUDBWBD-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099878969 855017268 /nfs/dbraw/zinc/01/72/68/855017268.db2.gz CEBKDRKXSHFHOG-GJZGRUSLSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971680 855056072 /nfs/dbraw/zinc/05/60/72/855056072.db2.gz LAMQKQDQQJQDHR-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986483 855061629 /nfs/dbraw/zinc/06/16/29/855061629.db2.gz LLFZINHRPZNNCE-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989660 855063251 /nfs/dbraw/zinc/06/32/51/855063251.db2.gz TUTBUGCKVVKBJJ-QWHCGFSZSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081455 855094162 /nfs/dbraw/zinc/09/41/62/855094162.db2.gz SRUVJSYOFDOFAV-CABCVRRESA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115159212 855648010 /nfs/dbraw/zinc/64/80/10/855648010.db2.gz GFRHTNSIBCGHOP-NHAGDIPZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115303495 855660627 /nfs/dbraw/zinc/66/06/27/855660627.db2.gz DSRAGJOBBPJUJF-FOLVSLTJSA-N 2 0 295.427 0.576 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001119304467 856623814 /nfs/dbraw/zinc/62/38/14/856623814.db2.gz NZFOCXUCVSLIJI-VIFPVBQESA-N 2 0 280.294 0.747 20 30 CCEDRP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC001119595726 856766604 /nfs/dbraw/zinc/76/66/04/856766604.db2.gz DUDLCQWPURREQG-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001324948652 913113630 /nfs/dbraw/zinc/11/36/30/913113630.db2.gz TZXLYEHZLCZZCN-GDBMZVCRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001325805485 913581524 /nfs/dbraw/zinc/58/15/24/913581524.db2.gz HYKOGFPDDCJAQF-UHFFFAOYSA-N 2 0 294.443 0.132 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481820575 893188050 /nfs/dbraw/zinc/18/80/50/893188050.db2.gz GGXOMMDKZRPLMP-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482170061 893455309 /nfs/dbraw/zinc/45/53/09/893455309.db2.gz YPNRLROPFIALOB-STQMWFEESA-N 2 0 251.374 0.303 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001284501805 893585060 /nfs/dbraw/zinc/58/50/60/893585060.db2.gz JFDPGRZLBSVZRQ-KBPBESRZSA-N 2 0 285.432 0.510 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482368149 893922578 /nfs/dbraw/zinc/92/25/78/893922578.db2.gz NPADSGFTAWJPAL-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482398590 893954466 /nfs/dbraw/zinc/95/44/66/893954466.db2.gz PEXNADDMEOQWGY-KGLIPLIRSA-N 2 0 265.401 0.692 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001482445476 893994398 /nfs/dbraw/zinc/99/43/98/893994398.db2.gz BZQFXFSAZUIVQM-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482755642 894568328 /nfs/dbraw/zinc/56/83/28/894568328.db2.gz JAJIJMSDSARDTD-ZDUSSCGKSA-N 2 0 283.416 0.504 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001483296311 895420486 /nfs/dbraw/zinc/42/04/86/895420486.db2.gz CTWSIAFHTZYQPV-AWEZNQCLSA-N 2 0 275.396 0.449 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001507328588 895550405 /nfs/dbraw/zinc/55/04/05/895550405.db2.gz QKCHBVUYJIHXAQ-GJZGRUSLSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001484380332 896371709 /nfs/dbraw/zinc/37/17/09/896371709.db2.gz HVQHPJDREXRQAX-UONOGXRCSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484844729 896632540 /nfs/dbraw/zinc/63/25/40/896632540.db2.gz HZOYEYANLWICTL-ZBFHGGJFSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001485002606 896702517 /nfs/dbraw/zinc/70/25/17/896702517.db2.gz ATDOTEYRPHSTRU-AWEZNQCLSA-N 2 0 275.396 0.449 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001493569423 896769075 /nfs/dbraw/zinc/76/90/75/896769075.db2.gz JRESTVCUYPTWRL-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC#CC)CC1 ZINC001485387897 897025815 /nfs/dbraw/zinc/02/58/15/897025815.db2.gz JSFOKJUBDCLXTO-HNNXBMFYSA-N 2 0 289.423 0.791 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001485619140 897146070 /nfs/dbraw/zinc/14/60/70/897146070.db2.gz MMJHOXHZXWJMDK-YHUYYLMFSA-N 2 0 289.423 0.646 20 30 CCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485772514 897238449 /nfs/dbraw/zinc/23/84/49/897238449.db2.gz LMJDSMUKEXEZDY-OAHLLOKOSA-N 2 0 293.411 0.026 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485854797 898463428 /nfs/dbraw/zinc/46/34/28/898463428.db2.gz GYNVHLYXHIKCMY-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCN1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001488684052 900343148 /nfs/dbraw/zinc/34/31/48/900343148.db2.gz RYDCIHPVNQABCR-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001488800669 900378856 /nfs/dbraw/zinc/37/88/56/900378856.db2.gz VKOVVKJHUJYHKD-ZNMIVQPWSA-N 2 0 295.427 0.768 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327604494 914649883 /nfs/dbraw/zinc/64/98/83/914649883.db2.gz WEMBGFTYWNXSAR-ZFWWWQNUSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001327649640 914680610 /nfs/dbraw/zinc/68/06/10/914680610.db2.gz DXJVDFQSJKVVNX-CQSZACIVSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281529889 904300724 /nfs/dbraw/zinc/30/07/24/904300724.db2.gz CYMXABYCVUKCCV-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001281612772 904311420 /nfs/dbraw/zinc/31/14/20/904311420.db2.gz HVBCNVVWXUGBBS-UHFFFAOYSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001281643594 904319182 /nfs/dbraw/zinc/31/91/82/904319182.db2.gz XLNUZKBCBZTTIU-UHFFFAOYSA-N 2 0 295.427 0.601 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283679678 904959002 /nfs/dbraw/zinc/95/90/02/904959002.db2.gz RDSWHIIPMJHIRQ-OLZOCXBDSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001284515208 905347055 /nfs/dbraw/zinc/34/70/55/905347055.db2.gz BFRLEHQLSHLDHY-CABCVRRESA-N 2 0 295.427 0.103 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284956144 905510695 /nfs/dbraw/zinc/51/06/95/905510695.db2.gz AVOFBZONHYLNIC-AWEZNQCLSA-N 2 0 263.385 0.708 20 30 CCEDRP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316744163 908566312 /nfs/dbraw/zinc/56/63/12/908566312.db2.gz MFDNIWKXRKYDDZ-GJZGRUSLSA-N 2 0 295.427 0.552 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001341642181 908641705 /nfs/dbraw/zinc/64/17/05/908641705.db2.gz HPIMGHBXIBWQGG-AGIUHOORSA-N 2 0 264.373 0.512 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001316790790 908775389 /nfs/dbraw/zinc/77/53/89/908775389.db2.gz MZWIVVZDCUEFNP-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317180014 909033242 /nfs/dbraw/zinc/03/32/42/909033242.db2.gz ZRTMRTDQRNPOAS-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322799 909142608 /nfs/dbraw/zinc/14/26/08/909142608.db2.gz QQEGWTRZCYCLPC-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317445905 909215505 /nfs/dbraw/zinc/21/55/05/909215505.db2.gz NGWGPYWOPUUTRB-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317530094 909301261 /nfs/dbraw/zinc/30/12/61/909301261.db2.gz SYHNNDFRGFLGAK-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001317533426 909303229 /nfs/dbraw/zinc/30/32/29/909303229.db2.gz VFIQTAAKYCQTMV-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCOCC)CC1 ZINC001317670788 909463021 /nfs/dbraw/zinc/46/30/21/909463021.db2.gz WMULJSAEQIAKFQ-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317808788 909505335 /nfs/dbraw/zinc/50/53/35/909505335.db2.gz HTQBCLCMRYYIMI-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001318592543 909826669 /nfs/dbraw/zinc/82/66/69/909826669.db2.gz HHCWSYZIHHWXLT-CHWSQXEVSA-N 2 0 253.390 0.690 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001320109620 910466249 /nfs/dbraw/zinc/46/62/49/910466249.db2.gz DHFMDBPHFUZGOK-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320257843 910561111 /nfs/dbraw/zinc/56/11/11/910561111.db2.gz MXYXUGPJLAEHHH-CQSZACIVSA-N 2 0 297.443 0.894 20 30 CCEDRP C[NH+]1CCC(C#N)(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC001321068050 911058602 /nfs/dbraw/zinc/05/86/02/911058602.db2.gz KGWLDMDETPILKA-UHFFFAOYSA-N 2 0 290.411 0.965 20 30 CCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001321089521 911075395 /nfs/dbraw/zinc/07/53/95/911075395.db2.gz BJEDBUNFLJAYHR-PLNGDYQASA-N 2 0 293.411 0.383 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C1CCC1 ZINC001321096453 911079489 /nfs/dbraw/zinc/07/94/89/911079489.db2.gz PJXDKGHLCUODEH-AATRIKPKSA-N 2 0 263.385 0.756 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322999237 912063996 /nfs/dbraw/zinc/06/39/96/912063996.db2.gz HCSBVWFNUSQRRT-CVEARBPZSA-N 2 0 289.423 0.836 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001328362846 915140625 /nfs/dbraw/zinc/14/06/25/915140625.db2.gz MNAORLNDZPEVQN-KBPBESRZSA-N 2 0 288.395 0.953 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCOC)CC1 ZINC001328459183 915210240 /nfs/dbraw/zinc/21/02/40/915210240.db2.gz NYINEFVBYMROJQ-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC001329099078 915666427 /nfs/dbraw/zinc/66/64/27/915666427.db2.gz FSDHFMVJIJIGCB-WOPDTQHZSA-N 2 0 252.362 0.654 20 30 CCEDRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001329100555 915671375 /nfs/dbraw/zinc/67/13/75/915671375.db2.gz UMQAFSPNVNTWSJ-CYBMUJFWSA-N 2 0 266.389 0.856 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001329411554 915892310 /nfs/dbraw/zinc/89/23/10/915892310.db2.gz PLPYZQROVBSUPX-STQMWFEESA-N 2 0 269.389 0.330 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001330340162 916565409 /nfs/dbraw/zinc/56/54/09/916565409.db2.gz NVIQMIKCEUFACT-FQUUOJAGSA-N 2 0 263.385 0.254 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001330990085 917006766 /nfs/dbraw/zinc/00/67/66/917006766.db2.gz WUPABYKUDRSZEU-OAHLLOKOSA-N 2 0 289.423 0.839 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001331325124 917265792 /nfs/dbraw/zinc/26/57/92/917265792.db2.gz NADWROQTNHFYLZ-ZDUSSCGKSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001332662411 918365187 /nfs/dbraw/zinc/36/51/87/918365187.db2.gz FHEJXKFOJOHLFD-CQSZACIVSA-N 2 0 283.416 0.103 20 30 CCEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C2 ZINC001332998356 918586661 /nfs/dbraw/zinc/58/66/61/918586661.db2.gz DRIZPDUMXNHCPI-DMDPSCGWSA-N 2 0 250.346 0.075 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336242743 920680832 /nfs/dbraw/zinc/68/08/32/920680832.db2.gz ZQMJMJASUXYBAP-YNEHKIRRSA-N 2 0 264.373 0.134 20 30 CCEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001336763030 920988693 /nfs/dbraw/zinc/98/86/93/920988693.db2.gz LTPWQUIXYAYDKI-CHWSQXEVSA-N 2 0 251.374 0.973 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340558367 922121935 /nfs/dbraw/zinc/12/19/35/922121935.db2.gz PZSMVGPFEWLPNM-LBPRGKRZSA-N 2 0 251.374 0.882 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC001340684546 922165950 /nfs/dbraw/zinc/16/59/50/922165950.db2.gz KYSIMOUGFQCDSQ-MGPQQGTHSA-N 2 0 279.384 0.097 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001340852744 922243763 /nfs/dbraw/zinc/24/37/63/922243763.db2.gz ISVIIALEXGQWMM-QWHCGFSZSA-N 2 0 269.389 0.507 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001341236540 922390160 /nfs/dbraw/zinc/39/01/60/922390160.db2.gz OQQXDFGRRZPIIB-RYUDHWBXSA-N 2 0 252.362 0.595 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001341236539 922392145 /nfs/dbraw/zinc/39/21/45/922392145.db2.gz OQQXDFGRRZPIIB-NWDGAFQWSA-N 2 0 252.362 0.595 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001341666526 922618604 /nfs/dbraw/zinc/61/86/04/922618604.db2.gz UNCDNTVFMVAMMR-SRVKXCTJSA-N 2 0 257.353 0.828 20 30 CCEDRP C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)C#CC1CC[NH2+]CC1 ZINC001342555950 922999787 /nfs/dbraw/zinc/99/97/87/922999787.db2.gz QEJHHRGKRWDRJZ-FRRDWIJNSA-N 2 0 263.385 0.587 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001342968933 923150527 /nfs/dbraw/zinc/15/05/27/923150527.db2.gz WFFZQILKNGYTDP-LBPRGKRZSA-N 2 0 269.389 0.636 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC001343395695 923298995 /nfs/dbraw/zinc/29/89/95/923298995.db2.gz SWUKFQPQLJZMRZ-HNNXBMFYSA-N 2 0 273.380 0.498 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001343433498 923312332 /nfs/dbraw/zinc/31/23/32/923312332.db2.gz XXLYCSGWYZCEOO-CYBMUJFWSA-N 2 0 251.374 0.303 20 30 CCEDRP C#C[C@@H](C)N(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353466864 925842440 /nfs/dbraw/zinc/84/24/40/925842440.db2.gz IGKZJPPXRZWIIO-LLVKDONJSA-N 2 0 252.362 0.073 20 30 CCEDRP C[NH2+][C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC001358170675 926650106 /nfs/dbraw/zinc/65/01/06/926650106.db2.gz PWBBSTSSPNLPKH-CABCVRRESA-N 2 0 288.395 0.954 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@H]([NH3+])CCCC#N ZINC001358178000 926651355 /nfs/dbraw/zinc/65/13/55/926651355.db2.gz VNVCXQUPPFRSCI-NNYUYHANSA-N 2 0 252.362 0.605 20 30 CCEDRP N#CC1(C[C@@H](O)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000600744874 362053056 /nfs/dbraw/zinc/05/30/56/362053056.db2.gz QEGJDJLZIQMRSS-HUUCEWRRSA-N 2 0 295.427 0.868 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000602586111 362691720 /nfs/dbraw/zinc/69/17/20/362691720.db2.gz ZGIDGEWVMICONN-OAHLLOKOSA-N 2 0 286.379 0.970 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876642 362857984 /nfs/dbraw/zinc/85/79/84/362857984.db2.gz HUXSWNMXNOTYLS-OAHLLOKOSA-N 2 0 296.415 0.137 20 30 CCEDRP N#Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179723 348681293 /nfs/dbraw/zinc/68/12/93/348681293.db2.gz RJMUVQJHJCQPOO-HNNXBMFYSA-N 2 0 286.379 0.845 20 30 CCEDRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000591681029 359637670 /nfs/dbraw/zinc/63/76/70/359637670.db2.gz MWDNURLKUOYYKP-QWHCGFSZSA-N 2 0 290.367 0.832 20 30 CCEDRP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426097 360300926 /nfs/dbraw/zinc/30/09/26/360300926.db2.gz MXXLVZCEQJUDAZ-GFCCVEGCSA-N 2 0 254.378 0.902 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594437440 360305711 /nfs/dbraw/zinc/30/57/11/360305711.db2.gz JSXGEXWYGIZPGO-ZIAGYGMSSA-N 2 0 278.400 0.998 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444262 360311513 /nfs/dbraw/zinc/31/15/13/360311513.db2.gz NMHMBIXNFVAJPW-NDBYEHHHSA-N 2 0 266.389 0.900 20 30 CCEDRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594446465 360312447 /nfs/dbraw/zinc/31/24/47/360312447.db2.gz UCPNDUQSNHTXLN-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638828773 375396028 /nfs/dbraw/zinc/39/60/28/375396028.db2.gz GKXAPMROXUAEKF-CYBMUJFWSA-N 2 0 270.417 0.996 20 30 CCEDRP CC[NH+](CC#CC[N@@H+](CC)[C@@H](C)CO)[C@@H](C)CO ZINC000339628274 389136507 /nfs/dbraw/zinc/13/65/07/389136507.db2.gz YVUFOAMDJRHYGW-KBPBESRZSA-N 2 0 256.390 0.395 20 30 CCEDRP CC[NH+](CC#CC[N@@H+](CC)[C@H](C)CO)[C@H](C)CO ZINC000339628276 389136823 /nfs/dbraw/zinc/13/68/23/389136823.db2.gz YVUFOAMDJRHYGW-ZIAGYGMSSA-N 2 0 256.390 0.395 20 30 CCEDRP CC#CCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000156480258 389326327 /nfs/dbraw/zinc/32/63/27/389326327.db2.gz XOBPPDXXDIRWFO-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP CN1CC[NH+]=C1NCc1cccnc1N1CCN(C)CC1 ZINC000262479934 389287400 /nfs/dbraw/zinc/28/74/00/389287400.db2.gz CWYYNJSJMYJVPW-UHFFFAOYSA-N 2 0 288.399 0.224 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427270835 389680060 /nfs/dbraw/zinc/68/00/60/389680060.db2.gz YNHADIZABITALL-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000644166440 390155241 /nfs/dbraw/zinc/15/52/41/390155241.db2.gz DVIBSYOROWOBBH-HTOAHKCRSA-N 2 0 254.374 0.919 20 30 CCEDRP C[C@@H](C#N)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000542874232 390275221 /nfs/dbraw/zinc/27/52/21/390275221.db2.gz FQGDDBNNDVMGEH-LBPRGKRZSA-N 2 0 269.393 0.281 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649323734 390582480 /nfs/dbraw/zinc/58/24/80/390582480.db2.gz VYIDPCSFJFPPCE-LBPRGKRZSA-N 2 0 287.354 0.998 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000662779512 414786507 /nfs/dbraw/zinc/78/65/07/414786507.db2.gz KRANYDFGCVGJGN-GOEBONIOSA-N 2 0 292.427 0.191 20 30 CCEDRP C=CC[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000662680612 414740425 /nfs/dbraw/zinc/74/04/25/414740425.db2.gz KMOQYGMPCJIRMZ-MRXNPFEDSA-N 2 0 295.427 0.648 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000491810865 262086777 /nfs/dbraw/zinc/08/67/77/262086777.db2.gz ALXVMGJNAYIXQA-OLZOCXBDSA-N 2 0 266.389 0.320 20 30 CCEDRP CC(C)[NH+](CC#CC[N@@H+](CCO)C(C)C)CCO ZINC000341834875 263353281 /nfs/dbraw/zinc/35/32/81/263353281.db2.gz SHGXMMAZEVYIKP-UHFFFAOYSA-N 2 0 256.390 0.395 20 30 CCEDRP CC[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](O)[C@@H](CC)C2)C[C@@H]1O ZINC000341902927 263364986 /nfs/dbraw/zinc/36/49/86/263364986.db2.gz GHQYACXVYLEUBP-FZKCQIBNSA-N 2 0 280.412 0.395 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000342140918 263391225 /nfs/dbraw/zinc/39/12/25/263391225.db2.gz YPJTYIKAYQNQCO-GEEKYZPCSA-N 2 0 280.412 0.395 20 30 CCEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(=O)NC)C[C@H]1C ZINC000330864321 264056993 /nfs/dbraw/zinc/05/69/93/264056993.db2.gz NCBYNDSQTJMXDJ-NEPJUHHUSA-N 2 0 284.404 0.841 20 30 CCEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(=O)NC)C[C@@H]1C ZINC000330864322 264057184 /nfs/dbraw/zinc/05/71/84/264057184.db2.gz NCBYNDSQTJMXDJ-RYUDHWBXSA-N 2 0 284.404 0.841 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362800852 267047704 /nfs/dbraw/zinc/04/77/04/267047704.db2.gz JFUJUGKSTSYQBN-TZMCWYRMSA-N 2 0 265.401 0.951 20 30 CCEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000530815678 326892417 /nfs/dbraw/zinc/89/24/17/326892417.db2.gz TUTCHOGTIXAONC-CHWSQXEVSA-N 2 0 278.400 0.963 20 30 CCEDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000584166702 327054467 /nfs/dbraw/zinc/05/44/67/327054467.db2.gz JVFWQYXJBJYKPK-GFCCVEGCSA-N 2 0 272.352 0.641 20 30 CCEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@]1(O)CC[N@H+](C)C1 ZINC000262244941 330002557 /nfs/dbraw/zinc/00/25/57/330002557.db2.gz ASKBZWXMDLHNKD-MRXNPFEDSA-N 2 0 290.411 0.760 20 30 CCEDRP COCCNC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262350762 330007408 /nfs/dbraw/zinc/00/74/08/330007408.db2.gz ILLHQACGXZDUMF-UHFFFAOYSA-N 2 0 254.378 0.554 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C)O1 ZINC000263151144 330046072 /nfs/dbraw/zinc/04/60/72/330046072.db2.gz PLYSKHVZDGHSTH-XQQFMLRXSA-N 2 0 268.405 0.943 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424055863 330218335 /nfs/dbraw/zinc/21/83/35/330218335.db2.gz GFZHKAJOCAORPH-TUAOUCFPSA-N 2 0 252.362 0.736 20 30 CCEDRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424134286 330266601 /nfs/dbraw/zinc/26/66/01/330266601.db2.gz NHNPZAZJOIKFLT-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143219 330287000 /nfs/dbraw/zinc/28/70/00/330287000.db2.gz FLWYWUOXOVDDLP-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424144223 330289609 /nfs/dbraw/zinc/28/96/09/330289609.db2.gz KTUYQPPERNXOQG-UPJWGTAASA-N 2 0 264.373 0.703 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000424151891 330297212 /nfs/dbraw/zinc/29/72/12/330297212.db2.gz IPIYGVOICACSJH-AAEUAGOBSA-N 2 0 287.367 0.857 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160788 330306346 /nfs/dbraw/zinc/30/63/46/330306346.db2.gz UVBCZCOTDKKQSO-OLZOCXBDSA-N 2 0 282.388 0.235 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000424179710 330318662 /nfs/dbraw/zinc/31/86/62/330318662.db2.gz TYUNZHCZPIASMC-AVGNSLFASA-N 2 0 266.389 0.889 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C[NH3+] ZINC000424192125 330323841 /nfs/dbraw/zinc/32/38/41/330323841.db2.gz IOHYGMJDPZNWHK-GRYCIOLGSA-N 2 0 252.362 0.451 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000424196674 330325647 /nfs/dbraw/zinc/32/56/47/330325647.db2.gz VMTASYPRIRWKFH-DTWKUNHWSA-N 2 0 260.288 0.121 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000491717197 332306698 /nfs/dbraw/zinc/30/66/98/332306698.db2.gz VRCBMORCXRIADR-KGLIPLIRSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000491747681 332324617 /nfs/dbraw/zinc/32/46/17/332324617.db2.gz NHXLXHBFBOICHT-UHFFFAOYSA-N 2 0 280.416 0.902 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000491821032 332370476 /nfs/dbraw/zinc/37/04/76/332370476.db2.gz UNFGMUIRLBNEPY-AWEZNQCLSA-N 2 0 280.416 0.583 20 30 CCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000576816084 335250771 /nfs/dbraw/zinc/25/07/71/335250771.db2.gz KMQDPMWSKRUKGQ-INIZCTEOSA-N 2 0 288.395 0.256 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000573795724 519091190 /nfs/dbraw/zinc/09/11/90/519091190.db2.gz USYYHXFQPJYXTG-HNNXBMFYSA-N 2 0 282.432 0.514 20 30 CCEDRP COCC#CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680432206 545428251 /nfs/dbraw/zinc/42/82/51/545428251.db2.gz OJEUBOAVUSLZNF-UHFFFAOYSA-N 2 0 293.455 0.986 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1(C)OCCO1 ZINC000305816626 649880493 /nfs/dbraw/zinc/88/04/93/649880493.db2.gz MOKUEVNBGOKACR-LBPRGKRZSA-N 2 0 284.404 0.528 20 30 CCEDRP C=C(CO)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000791360804 581217191 /nfs/dbraw/zinc/21/71/91/581217191.db2.gz QRPVJMCGCGIMDP-UHFFFAOYSA-N 2 0 271.405 0.267 20 30 CCEDRP C[NH+](C)CCCNC(=S)NN=C1CCC[N@H+](C)CC1 ZINC000758111254 581721541 /nfs/dbraw/zinc/72/15/41/581721541.db2.gz UMVYRDODKYSRDI-UHFFFAOYSA-N 2 0 285.461 0.874 20 30 CCEDRP C#CCO[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017079 613000780 /nfs/dbraw/zinc/00/07/80/613000780.db2.gz HVGRAHUFPCYRSN-RBSFLKMASA-N 2 0 295.427 0.223 20 30 CCEDRP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC000877254027 617180029 /nfs/dbraw/zinc/18/00/29/617180029.db2.gz KPQQABHXWCMQTB-GFCCVEGCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841909346 613076889 /nfs/dbraw/zinc/07/68/89/613076889.db2.gz CRBMZHPPVSVZJH-STQMWFEESA-N 2 0 266.389 0.511 20 30 CCEDRP C#C[C@@H](CCC)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000820666866 613085479 /nfs/dbraw/zinc/08/54/79/613085479.db2.gz NOAXFHILCMGNHH-AWEZNQCLSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981529046 612958572 /nfs/dbraw/zinc/95/85/72/612958572.db2.gz XPNDNEVCWNGSDU-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000876915971 613387584 /nfs/dbraw/zinc/38/75/84/613387584.db2.gz GIYKCBXBOZCINF-HLUHBDAQSA-N 2 0 259.781 0.900 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000970788500 612960660 /nfs/dbraw/zinc/96/06/60/612960660.db2.gz MYOAZHGILJTINL-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000969458259 612963253 /nfs/dbraw/zinc/96/32/53/612963253.db2.gz NPRCWXJPLOMTPI-CABCVRRESA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC000969742413 612968023 /nfs/dbraw/zinc/96/80/23/612968023.db2.gz XMJOKXSMSMZBFL-CYBMUJFWSA-N 2 0 275.352 0.779 20 30 CCEDRP C#CCOCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000851860543 612984319 /nfs/dbraw/zinc/98/43/19/612984319.db2.gz KOYNAISTKJHVQR-RRFJBIMHSA-N 2 0 266.385 0.820 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000981872607 613002764 /nfs/dbraw/zinc/00/27/64/613002764.db2.gz PADVZSBUIOESIS-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833178 613003582 /nfs/dbraw/zinc/00/35/82/613003582.db2.gz CZXROCWIQOQQGW-AWEZNQCLSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962560178 613042880 /nfs/dbraw/zinc/04/28/80/613042880.db2.gz ZIKXTRZWADKHLI-NHAGDIPZSA-N 2 0 261.369 0.152 20 30 CCEDRP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000925439810 613067172 /nfs/dbraw/zinc/06/71/72/613067172.db2.gz VZPPMNUHRDZUKA-AWEZNQCLSA-N 2 0 278.400 0.430 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000895057954 613074202 /nfs/dbraw/zinc/07/42/02/613074202.db2.gz XQZKAGMQRXSHEL-LSDHHAIUSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969975968 613117639 /nfs/dbraw/zinc/11/76/39/613117639.db2.gz OFIMUWOSEVRTQS-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](CC)[NH2+][C@@H](C)C2)CC1 ZINC000856409060 613129513 /nfs/dbraw/zinc/12/95/13/613129513.db2.gz BRODSKFFLHFAOM-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000918178565 613133962 /nfs/dbraw/zinc/13/39/62/613133962.db2.gz ACAFFFVQNCKJAN-UHFFFAOYSA-N 2 0 278.400 0.477 20 30 CCEDRP C#Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000819340400 613194612 /nfs/dbraw/zinc/19/46/12/613194612.db2.gz XTCZMQGVJZREKK-QGZVFWFLSA-N 2 0 287.407 0.366 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933802 613224155 /nfs/dbraw/zinc/22/41/55/613224155.db2.gz GWVUINARAOFPFY-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000969440410 613249337 /nfs/dbraw/zinc/24/93/37/613249337.db2.gz GKDVWDUYDPBNOZ-DZGCQCFKSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167014 613257054 /nfs/dbraw/zinc/25/70/54/613257054.db2.gz OSOWBMRQFFTGLV-AWEZNQCLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960726140 613315652 /nfs/dbraw/zinc/31/56/52/613315652.db2.gz ZSTBIJLGUQMDHP-XUWVNRHRSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960582175 613317056 /nfs/dbraw/zinc/31/70/56/613317056.db2.gz SYCGRXDYFKGUFS-RQJABVFESA-N 2 0 261.369 0.150 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000970725926 613348550 /nfs/dbraw/zinc/34/85/50/613348550.db2.gz MGXGTDOOTLNDGJ-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000908030045 613364996 /nfs/dbraw/zinc/36/49/96/613364996.db2.gz WLVONMAAQCIOQW-CQSZACIVSA-N 2 0 280.416 0.000 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000900629851 613365107 /nfs/dbraw/zinc/36/51/07/613365107.db2.gz CITZHJRYNWFFSA-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889223043 613365905 /nfs/dbraw/zinc/36/59/05/613365905.db2.gz KJCUIINZUIRIDL-UHFFFAOYSA-N 2 0 251.374 0.801 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844093523 613366019 /nfs/dbraw/zinc/36/60/19/613366019.db2.gz DUMFHYIGYAYRTO-UHFFFAOYSA-N 2 0 281.400 0.427 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827277927 613366237 /nfs/dbraw/zinc/36/62/37/613366237.db2.gz RHMVFGNBXCWOOD-QWHCGFSZSA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874830361 613366342 /nfs/dbraw/zinc/36/63/42/613366342.db2.gz QWIIYTOJYUSQJQ-STQMWFEESA-N 2 0 251.374 0.799 20 30 CCEDRP C=C(Cl)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903495276 613380512 /nfs/dbraw/zinc/38/05/12/613380512.db2.gz YGLKRJBYCNRISN-UMNHJUIQSA-N 2 0 258.749 0.951 20 30 CCEDRP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979070126 613381689 /nfs/dbraw/zinc/38/16/89/613381689.db2.gz KXGCPYWXFIKDGQ-XDQVBPFNSA-N 2 0 297.830 0.985 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000876847611 613388022 /nfs/dbraw/zinc/38/80/22/613388022.db2.gz CUTCYCGOKXYFOX-ZYHUDNBSSA-N 2 0 275.780 0.341 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000876770191 613390038 /nfs/dbraw/zinc/39/00/38/613390038.db2.gz ASLGPDKLPRFULM-NSHDSACASA-N 2 0 277.796 0.541 20 30 CCEDRP C=CCn1cc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)nn1 ZINC000849044435 613433884 /nfs/dbraw/zinc/43/38/84/613433884.db2.gz OVIGTGUVCZRRHS-ZDUSSCGKSA-N 2 0 291.403 0.562 20 30 CCEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000949830469 613478269 /nfs/dbraw/zinc/47/82/69/613478269.db2.gz NVFYBDNGJCXPGV-AWEZNQCLSA-N 2 0 281.400 0.426 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950510231 613508511 /nfs/dbraw/zinc/50/85/11/613508511.db2.gz OFMAIUSRUDOVKL-KBPBESRZSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970746912 613668092 /nfs/dbraw/zinc/66/80/92/613668092.db2.gz PBCRIKGWTKSOLN-LBPRGKRZSA-N 2 0 263.385 0.705 20 30 CCEDRP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)C1=O ZINC000923493237 613778552 /nfs/dbraw/zinc/77/85/52/613778552.db2.gz FXLWVVOLYURFMA-XQQFMLRXSA-N 2 0 251.374 0.690 20 30 CCEDRP C=CCNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849031126 613844640 /nfs/dbraw/zinc/84/46/40/613844640.db2.gz VJCIIYYCQUXLDE-UHFFFAOYSA-N 2 0 281.404 0.279 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453103 613854916 /nfs/dbraw/zinc/85/49/16/613854916.db2.gz JOQZITMVISNUMU-STQMWFEESA-N 2 0 281.400 0.507 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000969960148 613863632 /nfs/dbraw/zinc/86/36/32/613863632.db2.gz PICUWNWHTRCGDD-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970230555 613867764 /nfs/dbraw/zinc/86/77/64/613867764.db2.gz CBBVHGGZHZCQNM-CQSZACIVSA-N 2 0 291.399 0.435 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000884229788 613877904 /nfs/dbraw/zinc/87/79/04/613877904.db2.gz AGCQPTBQYOKLMZ-OLZOCXBDSA-N 2 0 297.399 0.233 20 30 CCEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862018 614370603 /nfs/dbraw/zinc/37/06/03/614370603.db2.gz PZGICHOCDHZADY-HNNXBMFYSA-N 2 0 277.412 0.836 20 30 CCEDRP CCNC(NCCOCC[NH+](CC)CC)=[NH+]CC ZINC000849018427 614420626 /nfs/dbraw/zinc/42/06/26/614420626.db2.gz UMKQTDZOOCOLKL-UHFFFAOYSA-N 2 0 258.410 0.920 20 30 CCEDRP CC1CC[NH+](CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852859249 614436905 /nfs/dbraw/zinc/43/69/05/614436905.db2.gz QNHATBRZRRPNJP-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP CC[NH+](CC)C[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198449 615001792 /nfs/dbraw/zinc/00/17/92/615001792.db2.gz WXKUCHPLHUAYKR-RXFTYZNJSA-N 2 0 292.427 0.972 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C)CCOC ZINC000104173073 615131297 /nfs/dbraw/zinc/13/12/97/615131297.db2.gz FBXDIZDTJXTENA-CQSZACIVSA-N 3 0 299.463 0.343 20 30 CCEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000104172418 615204082 /nfs/dbraw/zinc/20/40/82/615204082.db2.gz DFLFMUUEZOCBAC-NSHDSACASA-N 2 0 256.419 0.692 20 30 CCEDRP CC[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+](CC)CC ZINC000844195186 615608464 /nfs/dbraw/zinc/60/84/64/615608464.db2.gz RPXGRQBAOYPSBX-IJLUTSLNSA-N 2 0 252.362 0.335 20 30 CCEDRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834495335 615953888 /nfs/dbraw/zinc/95/38/88/615953888.db2.gz UGFPYNLSPGGECQ-ZIAGYGMSSA-N 2 0 272.352 0.590 20 30 CCEDRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834495333 615953892 /nfs/dbraw/zinc/95/38/92/615953892.db2.gz UGFPYNLSPGGECQ-KGLIPLIRSA-N 2 0 272.352 0.590 20 30 CCEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)C[NH+](C)C ZINC000104153679 616119234 /nfs/dbraw/zinc/11/92/34/616119234.db2.gz KSSPPMMTYVWOLU-UHFFFAOYSA-N 2 0 299.463 0.071 20 30 CCEDRP C[NH+]1CCC(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000104181098 616168495 /nfs/dbraw/zinc/16/84/95/616168495.db2.gz RRPIEMRRPOZYEM-UHFFFAOYSA-N 2 0 254.378 0.365 20 30 CCEDRP C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884251002 616972225 /nfs/dbraw/zinc/97/22/25/616972225.db2.gz UEFAWXVVSITVBI-DGCLKSJQSA-N 2 0 288.351 0.126 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001022836949 622789268 /nfs/dbraw/zinc/78/92/68/622789268.db2.gz GZTSTCXVFXRTMH-BARDWOONSA-N 2 0 275.396 0.873 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195523091 625620414 /nfs/dbraw/zinc/62/04/14/625620414.db2.gz NGACMPMYRZBVDV-OLZOCXBDSA-N 2 0 268.405 0.802 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020591149 624544642 /nfs/dbraw/zinc/54/46/42/624544642.db2.gz GAIAJCWICXAIQP-LPWJVIDDSA-N 2 0 251.374 0.607 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001020720932 624586448 /nfs/dbraw/zinc/58/64/48/624586448.db2.gz GZTSTCXVFXRTMH-ZQDZILKHSA-N 2 0 275.396 0.873 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047884 624651258 /nfs/dbraw/zinc/65/12/58/624651258.db2.gz QSAGDCIKAYMUKO-SRVKXCTJSA-N 2 0 271.792 0.927 20 30 CCEDRP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1CCN(C2CC2)C1 ZINC000083094263 630967921 /nfs/dbraw/zinc/96/79/21/630967921.db2.gz OMGZCQVGHQYWQI-LLVKDONJSA-N 2 0 277.372 0.885 20 30 CCEDRP C[C@H]([NH2+]CCNc1ccc(C#N)cn1)[C@H]1CC[NH2+]C1 ZINC000925893057 631437868 /nfs/dbraw/zinc/43/78/68/631437868.db2.gz KBVUPAUBSMXSOD-AAEUAGOBSA-N 2 0 259.357 0.953 20 30 CCEDRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000303898880 632493600 /nfs/dbraw/zinc/49/36/00/632493600.db2.gz RIMSEZOKHYBICF-UHFFFAOYSA-N 2 0 286.420 0.164 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC(C)C ZINC000305831327 632538167 /nfs/dbraw/zinc/53/81/67/632538167.db2.gz UJUVBQDAVHVHJB-LBPRGKRZSA-N 2 0 256.394 0.800 20 30 CCEDRP NC(=[NH2+])NN=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000915048149 637722905 /nfs/dbraw/zinc/72/29/05/637722905.db2.gz AIISYWIXQGWBND-UHFFFAOYSA-N 2 0 275.356 0.978 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993759465 637842856 /nfs/dbraw/zinc/84/28/56/637842856.db2.gz LDIVKNWHMJCRSL-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC000995924540 638804630 /nfs/dbraw/zinc/80/46/30/638804630.db2.gz PVGLMEQAGCGDBK-UONOGXRCSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996316104 638815146 /nfs/dbraw/zinc/81/51/46/638815146.db2.gz XGHCEQALVZKXJM-STQMWFEESA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997299924 638862421 /nfs/dbraw/zinc/86/24/21/638862421.db2.gz RJRSYRDDRDWBMT-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001000377932 639080705 /nfs/dbraw/zinc/08/07/05/639080705.db2.gz LPYUXOLAUDPUDX-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001000521807 639108972 /nfs/dbraw/zinc/10/89/72/639108972.db2.gz OFQQUCYAOJWZQU-CQSZACIVSA-N 2 0 261.369 0.462 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001000923565 639195780 /nfs/dbraw/zinc/19/57/80/639195780.db2.gz BWZJYPKMKUTRFV-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC#C)CC2)CC1 ZINC001001468730 639303109 /nfs/dbraw/zinc/30/31/09/639303109.db2.gz VAXAFLYUHCAILK-UHFFFAOYSA-N 2 0 299.418 0.713 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001016336231 650720078 /nfs/dbraw/zinc/72/00/78/650720078.db2.gz JTBAZFMALCSJFP-HNNXBMFYSA-N 2 0 275.396 0.708 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834484347 642574491 /nfs/dbraw/zinc/57/44/91/642574491.db2.gz HMJAHQVCZOCODN-FOMPKITHSA-N 2 0 262.357 0.135 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000834484855 642575685 /nfs/dbraw/zinc/57/56/85/642575685.db2.gz OILZSYTXTJNIQQ-WCQYABFASA-N 2 0 287.367 0.254 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001017943962 650836259 /nfs/dbraw/zinc/83/62/59/650836259.db2.gz JGHLMKTWOJGAHD-JONQDZQNSA-N 2 0 289.423 0.883 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852828422 644013961 /nfs/dbraw/zinc/01/39/61/644013961.db2.gz XRDJTTDKUZUMJB-UWVGGRQHSA-N 2 0 276.365 0.235 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000852866417 644031768 /nfs/dbraw/zinc/03/17/68/644031768.db2.gz WTYIJUCIXNUMFI-HNNXBMFYSA-N 2 0 275.396 0.590 20 30 CCEDRP COCCC[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852870037 644033326 /nfs/dbraw/zinc/03/33/26/644033326.db2.gz IXBZWTVHJRZCSI-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000852880637 644039866 /nfs/dbraw/zinc/03/98/66/644039866.db2.gz NWTZOUMZNLSNEI-INIZCTEOSA-N 2 0 289.423 0.838 20 30 CCEDRP [NH3+]C[C@H]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852881226 644040344 /nfs/dbraw/zinc/04/03/44/644040344.db2.gz SRGMHYHQKKQQPN-SHTZXODSSA-N 2 0 277.412 0.871 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]2CCC1CC2 ZINC000852883134 644041525 /nfs/dbraw/zinc/04/15/25/644041525.db2.gz BGBKYPHWAUYXDA-UHFFFAOYSA-N 2 0 261.369 0.296 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852892080 644045953 /nfs/dbraw/zinc/04/59/53/644045953.db2.gz GMDXCHZSFBOAKZ-HNNXBMFYSA-N 2 0 261.369 0.344 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525290 646619776 /nfs/dbraw/zinc/61/97/76/646619776.db2.gz IFSOTBVSEJVWQI-WBMJQRKESA-N 2 0 298.390 0.861 20 30 CCEDRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727105 646650479 /nfs/dbraw/zinc/65/04/79/646650479.db2.gz FCNOMBRWPPFEOI-XJKSGUPXSA-N 2 0 298.390 0.813 20 30 CCEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877109648 646734960 /nfs/dbraw/zinc/73/49/60/646734960.db2.gz OLCDOBCRYAVCEK-VQISRLSMSA-N 2 0 284.363 0.612 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](C[NH3+])C1CCCC1)C2 ZINC000884336573 647711611 /nfs/dbraw/zinc/71/16/11/647711611.db2.gz SGKFRGMAIMUXBJ-WJEHIRDRSA-N 2 0 290.411 0.759 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC1CC[NH2+]CC1)C2 ZINC000884389357 647725790 /nfs/dbraw/zinc/72/57/90/647725790.db2.gz WEJYUEYXDLMMIC-BBBYJDLNSA-N 2 0 290.411 0.632 20 30 CCEDRP C[C@H](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+](C)C ZINC000884401469 647728209 /nfs/dbraw/zinc/72/82/09/647728209.db2.gz QQWXWOABLULVKU-UQJCBBSYSA-N 2 0 278.400 0.582 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@H]([NH3+])C1)C2 ZINC000884449909 647741963 /nfs/dbraw/zinc/74/19/63/647741963.db2.gz RVKQDFDNHFQRON-WJEHIRDRSA-N 2 0 290.411 0.856 20 30 CCEDRP C[C@H](CNC(=[NH2+])NC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000104174557 648204819 /nfs/dbraw/zinc/20/48/19/648204819.db2.gz HFNVAGHJAXSRSU-GFCCVEGCSA-N 2 0 269.437 0.573 20 30 CCEDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893176 648469222 /nfs/dbraw/zinc/46/92/22/648469222.db2.gz MKOSBLITSUGUGR-YUTCNCBUSA-N 2 0 289.383 0.707 20 30 CCEDRP C[C@@H]1C[N@@H+](CCC[NH+]=C(N(C)C)N(C)C)C[C@H](C)O1 ZINC000303790530 649825255 /nfs/dbraw/zinc/82/52/55/649825255.db2.gz WHIUROYCTBTKRM-BETUJISGSA-N 2 0 270.421 0.965 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC)c1 ZINC000303792342 649825316 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COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000303985530 649828034 /nfs/dbraw/zinc/82/80/34/649828034.db2.gz SYCBGRCYGFJNNS-ZDUSSCGKSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C)C1 ZINC000304751637 649838188 /nfs/dbraw/zinc/83/81/88/649838188.db2.gz JMSODNBWLQWCHQ-ZIAGYGMSSA-N 3 0 281.448 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304757118 649838333 /nfs/dbraw/zinc/83/83/33/649838333.db2.gz OJSJPLWOELQKRB-ZIAGYGMSSA-N 2 0 298.431 0.571 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCC1CC1 ZINC000304760886 649838813 /nfs/dbraw/zinc/83/88/13/649838813.db2.gz TUVRLICXKWXEJI-ZDUSSCGKSA-N 2 0 268.405 0.802 20 30 CCEDRP C#CCC[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266342970 790548070 /nfs/dbraw/zinc/54/80/70/790548070.db2.gz ZWRNWVXVCIUKGX-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266551393 790916270 /nfs/dbraw/zinc/91/62/70/790916270.db2.gz QLRAKZMFQFZJSC-ZDUSSCGKSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266593748 790998387 /nfs/dbraw/zinc/99/83/87/790998387.db2.gz VFUDGCQPXDBKOK-KBUPBQIOSA-N 2 0 295.427 0.766 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266603856 791010675 /nfs/dbraw/zinc/01/06/75/791010675.db2.gz HHFRPURFGPAFLQ-HDJSIYSDSA-N 2 0 275.396 0.875 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277937811 806407727 /nfs/dbraw/zinc/40/77/27/806407727.db2.gz JAJBVPRDIPNEGB-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[NH2+]CCN(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001236924961 806620291 /nfs/dbraw/zinc/62/02/91/806620291.db2.gz UMVGDUCCXZIIQK-AWEZNQCLSA-N 3 0 254.422 0.378 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001120624842 798892229 /nfs/dbraw/zinc/89/22/29/798892229.db2.gz TXBSPAFHGLTAOL-OLZOCXBDSA-N 2 0 266.389 0.096 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC001122027514 799126772 /nfs/dbraw/zinc/12/67/72/799126772.db2.gz JDXFWOWKZBPMHB-UHFFFAOYSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001278165613 806736407 /nfs/dbraw/zinc/73/64/07/806736407.db2.gz XQTCCZBRPJGMCY-GJZGRUSLSA-N 2 0 295.427 0.341 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149848972 800303437 /nfs/dbraw/zinc/30/34/37/800303437.db2.gz QLOZMISAAFEVMP-CABCVRRESA-N 2 0 295.427 0.720 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149889487 800305309 /nfs/dbraw/zinc/30/53/09/800305309.db2.gz OISHPJBEQRBKEN-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150186687 800321899 /nfs/dbraw/zinc/32/18/99/800321899.db2.gz TUBQTHCWEWDWLD-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150219230 800324503 /nfs/dbraw/zinc/32/45/03/800324503.db2.gz MMSVRZGEOARAAF-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547456 800346415 /nfs/dbraw/zinc/34/64/15/800346415.db2.gz SWSXPWSIWJJKLU-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001151049525 800389541 /nfs/dbraw/zinc/38/95/41/800389541.db2.gz RGVMNLKKKIGIQM-LLVKDONJSA-N 2 0 292.408 0.777 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361995 800418670 /nfs/dbraw/zinc/41/86/70/800418670.db2.gz RWNBGPQPVWJFNE-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[C@@H]([NH3+])C1)C[NH2+]CCC2 ZINC001156224380 801133098 /nfs/dbraw/zinc/13/30/98/801133098.db2.gz ONHMZDJUNIJJJF-LLVKDONJSA-N 2 0 257.341 0.526 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899324 801512447 /nfs/dbraw/zinc/51/24/47/801512447.db2.gz PGEGLYPZDWEBRI-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP N#Cc1c2c(cnc1N1CC[N@@H+]3CC[C@@H]3C1)C[NH2+]CCC2 ZINC001158426275 801645671 /nfs/dbraw/zinc/64/56/71/801645671.db2.gz WNFAZRNZCZGLDP-CYBMUJFWSA-N 2 0 283.379 0.883 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487416 801659346 /nfs/dbraw/zinc/65/93/46/801659346.db2.gz ZFWOWLLROAHDJX-UONOGXRCSA-N 2 0 281.400 0.522 20 30 CCEDRP N#Cc1c2c(cnc1N1C[C@@H]([NH3+])C3(COC3)C1)C[NH2+]CCC2 ZINC001158765234 801702170 /nfs/dbraw/zinc/70/21/70/801702170.db2.gz WQSGVJXJJDRKPU-CQSZACIVSA-N 2 0 299.378 0.153 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001159335215 801794143 /nfs/dbraw/zinc/79/41/43/801794143.db2.gz VPBAYUVAQLMOOM-OAHLLOKOSA-N 2 0 295.427 0.607 20 30 CCEDRP N#C[C@H]1CCCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160635952 801984058 /nfs/dbraw/zinc/98/40/58/801984058.db2.gz DMWXIXMXWSBIKZ-YRGRVCCFSA-N 2 0 262.357 0.090 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726829 802011862 /nfs/dbraw/zinc/01/18/62/802011862.db2.gz XJVSAVBZUOVKNM-INIZCTEOSA-N 2 0 298.390 0.735 20 30 CCEDRP CC[C@H](C(=O)NCCC[NH2+]CC#CCOC)[NH+](C)C ZINC001160883918 802042374 /nfs/dbraw/zinc/04/23/74/802042374.db2.gz YVDLUADMMHBDLO-CYBMUJFWSA-N 2 0 269.389 0.072 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161043104 802074280 /nfs/dbraw/zinc/07/42/80/802074280.db2.gz XXRMUVVVDVCPLN-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872279 802431878 /nfs/dbraw/zinc/43/18/78/802431878.db2.gz MQGOPYDOGBAPPN-NPCAHTBFSA-N 2 0 293.411 0.522 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616088 803037088 /nfs/dbraw/zinc/03/70/88/803037088.db2.gz VFFCUYRLFKLBLM-KBPBESRZSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)CCc2nccn2C)CC1 ZINC001205741627 803169011 /nfs/dbraw/zinc/16/90/11/803169011.db2.gz OGRYILWNBWTFAJ-UHFFFAOYSA-N 2 0 288.395 0.814 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001269401830 813358797 /nfs/dbraw/zinc/35/87/97/813358797.db2.gz GMQXIASQBJTOBL-ZIAGYGMSSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590029 803548371 /nfs/dbraw/zinc/54/83/71/803548371.db2.gz USVYLGRSANNOJI-HUUCEWRRSA-N 2 0 275.396 0.446 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210218292 803642569 /nfs/dbraw/zinc/64/25/69/803642569.db2.gz QEXMELKCJWHVCB-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211371218 803678187 /nfs/dbraw/zinc/67/81/87/803678187.db2.gz NGMWMTMAJPRMMN-CHWSQXEVSA-N 2 0 251.374 0.396 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342233 803689999 /nfs/dbraw/zinc/68/99/99/803689999.db2.gz MZOOGWVHHWOQTK-ZIAGYGMSSA-N 2 0 293.411 0.167 20 30 CCEDRP CC[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883321 803759852 /nfs/dbraw/zinc/75/98/52/803759852.db2.gz MBEUGKQRECDHDI-VXGBXAGGSA-N 2 0 256.394 0.658 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001216001639 803830596 /nfs/dbraw/zinc/83/05/96/803830596.db2.gz GWIYQHJNCXIUCV-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C1CC[NH2+]C[C@@H]1OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833439 803917850 /nfs/dbraw/zinc/91/78/50/803917850.db2.gz WFWKPLHOHQTMDZ-XUXIUFHCSA-N 2 0 252.358 0.688 20 30 CCEDRP Cc1noc2nc(O[C@H]3C[NH2+]C[C@@H]3C#N)c3c(c12)CC[NH2+]C3 ZINC001218200824 803936149 /nfs/dbraw/zinc/93/61/49/803936149.db2.gz NPVKBAHSDCYFFP-CABZTGNLSA-N 2 0 299.334 0.667 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cnc(C#N)cn1 ZINC001218503258 803969325 /nfs/dbraw/zinc/96/93/25/803969325.db2.gz DUXQNGQHMQVLHK-NSHDSACASA-N 2 0 276.344 0.346 20 30 CCEDRP CC#CCN1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219054538 804187741 /nfs/dbraw/zinc/18/77/41/804187741.db2.gz FXXBKEMWEPBNIK-LSDHHAIUSA-N 2 0 293.411 0.262 20 30 CCEDRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001219916451 804447280 /nfs/dbraw/zinc/44/72/80/804447280.db2.gz WCNJQSUKKQUZGG-RISCZKNCSA-N 2 0 274.368 0.494 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429715 804602552 /nfs/dbraw/zinc/60/25/52/804602552.db2.gz XWUITXVDJIUJRC-HWMZRRJGSA-N 2 0 283.375 0.584 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)Nc1cccnc1C[NH3+] ZINC001220712208 804652969 /nfs/dbraw/zinc/65/29/69/804652969.db2.gz WUPKJEPMFKKQEB-ZDUSSCGKSA-N 2 0 295.346 0.920 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001220868402 804685445 /nfs/dbraw/zinc/68/54/45/804685445.db2.gz IFNPYSHCCJABNM-GXTWGEPZSA-N 2 0 251.374 0.895 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220885054 804689851 /nfs/dbraw/zinc/68/98/51/804689851.db2.gz WXVSYRDGLSLAEQ-KGLIPLIRSA-N 2 0 272.352 0.296 20 30 CCEDRP N#CC1(NC(=O)[C@@H]([NH3+])CCC[NH3+])Cc2ccccc2C1 ZINC001221368352 804790241 /nfs/dbraw/zinc/79/02/41/804790241.db2.gz WIVCHDWJGODPAF-ZDUSSCGKSA-N 2 0 272.352 0.230 20 30 CCEDRP C#CCCC1(CCNC(=O)[C@@H]([NH3+])CCCC[NH3+])N=N1 ZINC001221408959 804811373 /nfs/dbraw/zinc/81/13/73/804811373.db2.gz LBAUWEVSLFBROQ-NSHDSACASA-N 2 0 265.361 0.525 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001277000883 805083132 /nfs/dbraw/zinc/08/31/32/805083132.db2.gz DVUVYANGRUFEBI-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001227628925 805375029 /nfs/dbraw/zinc/37/50/29/805375029.db2.gz KYBOWPOOFGPJEJ-AWEZNQCLSA-N 2 0 283.391 0.880 20 30 CCEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001246582645 807302862 /nfs/dbraw/zinc/30/28/62/807302862.db2.gz HEKQDZSMTPJMRB-UGFHNGPFSA-N 2 0 259.353 0.741 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001251854585 807722110 /nfs/dbraw/zinc/72/21/10/807722110.db2.gz HNXMDZDCEPAWCU-KBPBESRZSA-N 2 0 252.358 0.025 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001251906589 807743497 /nfs/dbraw/zinc/74/34/97/807743497.db2.gz HUDMWTMUGMGZIP-KFWWJZLASA-N 2 0 268.401 0.706 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001252467175 807878188 /nfs/dbraw/zinc/87/81/88/807878188.db2.gz WRTFAVFHIIICTO-INIZCTEOSA-N 2 0 297.443 0.262 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+](CC)CC ZINC001253209665 808033228 /nfs/dbraw/zinc/03/32/28/808033228.db2.gz CWSXOUDQCQCKKV-LSDHHAIUSA-N 2 0 269.433 0.929 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001279205018 808532082 /nfs/dbraw/zinc/53/20/82/808532082.db2.gz RMLKAVVTPVWRGZ-UONOGXRCSA-N 2 0 265.401 0.644 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001262582789 809356418 /nfs/dbraw/zinc/35/64/18/809356418.db2.gz FOVDCJAIBGCOAE-GDBMZVCRSA-N 2 0 292.427 0.773 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001264406694 809652822 /nfs/dbraw/zinc/65/28/22/809652822.db2.gz HZVULMXOBFAYQB-GASCZTMLSA-N 2 0 277.412 0.836 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001264408302 809652920 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C=CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC001280544805 810030308 /nfs/dbraw/zinc/03/03/08/810030308.db2.gz GBPLHUWBNFUTMF-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[N@@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001267327566 811160901 /nfs/dbraw/zinc/16/09/01/811160901.db2.gz RVHLDQNWADPFFR-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267570483 811458881 /nfs/dbraw/zinc/45/88/81/811458881.db2.gz AQJHBJDARSVXGL-HNNXBMFYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267815239 811808951 /nfs/dbraw/zinc/80/89/51/811808951.db2.gz MGVSMOOPYMEBNS-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027931759 812149707 /nfs/dbraw/zinc/14/97/07/812149707.db2.gz KCWAMDKJWHAUKG-UONOGXRCSA-N 2 0 286.379 0.974 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001268305678 812469975 /nfs/dbraw/zinc/46/99/75/812469975.db2.gz SQDWKFMAZGIPJA-GJZGRUSLSA-N 2 0 297.443 0.892 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001028444908 812710401 /nfs/dbraw/zinc/71/04/01/812710401.db2.gz IGWWOAZOPDWDIW-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544583 812832274 /nfs/dbraw/zinc/83/22/74/812832274.db2.gz GFOAVYHXSUFHRG-ZBFHGGJFSA-N 2 0 289.423 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268711186 813025715 /nfs/dbraw/zinc/02/57/15/813025715.db2.gz CJPSKXGSNSMZEL-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269193882 813257275 /nfs/dbraw/zinc/25/72/75/813257275.db2.gz VHDOCFAIKQZTCX-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001269510646 813398328 /nfs/dbraw/zinc/39/83/28/813398328.db2.gz RXJQSWHUTBNQSD-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001269510030 813399828 /nfs/dbraw/zinc/39/98/28/813399828.db2.gz NKCWVAHVNYJXDF-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001270421320 813758751 /nfs/dbraw/zinc/75/87/51/813758751.db2.gz DBYZYNJBMKRAMD-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001271816142 814591928 /nfs/dbraw/zinc/59/19/28/814591928.db2.gz WFQLCMYETDHUIH-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481812 817155300 /nfs/dbraw/zinc/15/53/00/817155300.db2.gz XPZWMPUPESMHTP-AWEZNQCLSA-N 2 0 281.400 0.237 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001031667089 817229480 /nfs/dbraw/zinc/22/94/80/817229480.db2.gz XMFYYSUBNCYTCG-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562129 817272517 /nfs/dbraw/zinc/27/25/17/817272517.db2.gz DHHLGXMEYCMDLG-UHFFFAOYSA-N 2 0 293.415 0.730 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576204 817314580 /nfs/dbraw/zinc/31/45/80/817314580.db2.gz KXHWNTSFIVENRS-UHFFFAOYSA-N 2 0 299.806 0.517 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948919 817486538 /nfs/dbraw/zinc/48/65/38/817486538.db2.gz UGGKRKZTFQPPLL-UHFFFAOYSA-N 2 0 263.385 0.400 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124837848 817592246 /nfs/dbraw/zinc/59/22/46/817592246.db2.gz PPLMWCLADBCMOJ-SNVBAGLBSA-N 2 0 290.205 0.695 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186208 817683897 /nfs/dbraw/zinc/68/38/97/817683897.db2.gz LAOWEWRORYOPMC-CYBMUJFWSA-N 2 0 251.374 0.562 20 30 CCEDRP C#CCN1C[C@@]2(F)CN(CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030905 818487252 /nfs/dbraw/zinc/48/72/52/818487252.db2.gz QXVGLXLNILQYJR-LSDHHAIUSA-N 2 0 297.349 0.194 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033419060 818764471 /nfs/dbraw/zinc/76/44/71/818764471.db2.gz GNWRMPYIWVVNMY-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033580454 818836172 /nfs/dbraw/zinc/83/61/72/818836172.db2.gz FBKXGBSZEVAFGZ-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583634 818845614 /nfs/dbraw/zinc/84/56/14/818845614.db2.gz WZWUJHAUJHHSFB-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034395640 819194245 /nfs/dbraw/zinc/19/42/45/819194245.db2.gz AKGMAXUOUCJITB-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649220 819271530 /nfs/dbraw/zinc/27/15/30/819271530.db2.gz TWVGLHXKSQDPEW-JYJNAYRXSA-N 2 0 289.423 0.978 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035613911 819589425 /nfs/dbraw/zinc/58/94/25/819589425.db2.gz MKGZOPLICOZHAI-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182390 820087048 /nfs/dbraw/zinc/08/70/48/820087048.db2.gz GOTRWWADDCQVAI-OAHLLOKOSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079709213 820456152 /nfs/dbraw/zinc/45/61/52/820456152.db2.gz SZHUBJCFUNZELE-BPLDGKMQSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079940356 820493956 /nfs/dbraw/zinc/49/39/56/820493956.db2.gz HUNWBYRLZBXJSD-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082859751 821048381 /nfs/dbraw/zinc/04/83/81/821048381.db2.gz CJZSOBJVAWAVFY-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830578 821404680 /nfs/dbraw/zinc/40/46/80/821404680.db2.gz ZKNXTJYBFCFTRK-MGPQQGTHSA-N 2 0 261.369 0.104 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001086085558 822105880 /nfs/dbraw/zinc/10/58/80/822105880.db2.gz JHOHKKUZDBVSBE-JONQDZQNSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086177169 822144231 /nfs/dbraw/zinc/14/42/31/822144231.db2.gz JICKKQWVTRCXKD-ZNMIVQPWSA-N 2 0 293.411 0.213 20 30 CCEDRP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394860 836001901 /nfs/dbraw/zinc/00/19/01/836001901.db2.gz LJYFRPRJCYJFII-GOEBONIOSA-N 2 0 295.427 0.721 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372688 838068571 /nfs/dbraw/zinc/06/85/71/838068571.db2.gz QZVNJUJDTAPCMJ-UHFFFAOYSA-N 2 0 286.335 0.304 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131794243 838221724 /nfs/dbraw/zinc/22/17/24/838221724.db2.gz PDVXTCAGKDBVGA-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908565 838773463 /nfs/dbraw/zinc/77/34/63/838773463.db2.gz XFUXVADAGFGUMU-UHFFFAOYSA-N 2 0 253.390 0.693 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133917498 838778944 /nfs/dbraw/zinc/77/89/44/838778944.db2.gz ANNWAHWEQRCBBI-UHFFFAOYSA-N 2 0 287.407 0.890 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1C#N ZINC001170779098 839108712 /nfs/dbraw/zinc/10/87/12/839108712.db2.gz BUITUESUMNBQOF-CPXUFUTESA-N 2 0 287.367 0.772 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804188 839422725 /nfs/dbraw/zinc/42/27/25/839422725.db2.gz GBTSAXFCSROQOI-KBPBESRZSA-N 2 0 295.427 0.603 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959204 839484789 /nfs/dbraw/zinc/48/47/89/839484789.db2.gz LNSNVODRNAPTHT-UHFFFAOYSA-N 2 0 289.807 0.556 20 30 CCEDRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135979182 839487079 /nfs/dbraw/zinc/48/70/79/839487079.db2.gz DAHXSYSEJNNUPR-HUUCEWRRSA-N 2 0 297.443 0.851 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817909 839832403 /nfs/dbraw/zinc/83/24/03/839832403.db2.gz UBIJGWYTTNGXMI-KGLIPLIRSA-N 2 0 281.400 0.210 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543728 840261643 /nfs/dbraw/zinc/26/16/43/840261643.db2.gz ODLAGGNSYXRLCL-INMHGKMJSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146338713 840285709 /nfs/dbraw/zinc/28/57/09/840285709.db2.gz HGLKGMDHCXPGOP-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[C@]1(C(=O)N(C)[C@H]2CCCC[C@H]2[NH3+])CCC[NH2+]1 ZINC001161065604 840692129 /nfs/dbraw/zinc/69/21/29/840692129.db2.gz YAEQCJOUFBUKEG-VNHYZAJKSA-N 2 0 263.385 0.860 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193400 841171669 /nfs/dbraw/zinc/17/16/69/841171669.db2.gz ICKQPXAHOCSJDD-HZSPNIEDSA-N 2 0 265.401 0.808 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093194918 841172406 /nfs/dbraw/zinc/17/24/06/841172406.db2.gz GMZSKJLMVSPXKI-QLFBSQMISA-N 2 0 277.412 0.646 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203337534 841775418 /nfs/dbraw/zinc/77/54/18/841775418.db2.gz KOQDJNVVLRZZFA-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176997537 842482490 /nfs/dbraw/zinc/48/24/90/842482490.db2.gz QOMIAQXZCZZPMV-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925276 843081403 /nfs/dbraw/zinc/08/14/03/843081403.db2.gz OAGMNGKATQUEAO-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192969383 845957582 /nfs/dbraw/zinc/95/75/82/845957582.db2.gz IYXBKQQILHZHDO-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192969382 845957663 /nfs/dbraw/zinc/95/76/63/845957663.db2.gz IYXBKQQILHZHDO-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791336 846152972 /nfs/dbraw/zinc/15/29/72/846152972.db2.gz JQURJRMEKAAAQP-MGPQQGTHSA-N 2 0 281.400 0.064 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196130956 846688223 /nfs/dbraw/zinc/68/82/23/846688223.db2.gz NBDWPLJYDVJXLG-QLFBSQMISA-N 2 0 297.443 0.844 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196500423 846765452 /nfs/dbraw/zinc/76/54/52/846765452.db2.gz UFBHVKGQXQJIRC-MGPQQGTHSA-N 2 0 290.367 0.019 20 30 CCEDRP CC[C@@H](C(=O)N1CCCN(CC#CCOC)CC1)[NH+](C)C ZINC001197172135 846867371 /nfs/dbraw/zinc/86/73/71/846867371.db2.gz HGFOEKDEJSYZOY-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200689069 847680935 /nfs/dbraw/zinc/68/09/35/847680935.db2.gz ZTPFUXHYLLTZSC-LSDHHAIUSA-N 2 0 293.411 0.167 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807044 847694457 /nfs/dbraw/zinc/69/44/57/847694457.db2.gz UVFWRZGHZWRGGM-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201333883 847770797 /nfs/dbraw/zinc/77/07/97/847770797.db2.gz FHYLGMAIBGHSSK-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201863382 847816906 /nfs/dbraw/zinc/81/69/06/847816906.db2.gz LXTNQFFFWNVFMF-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202165035 847862303 /nfs/dbraw/zinc/86/23/03/847862303.db2.gz PCRSWUCBHLWJLK-AWEZNQCLSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001273958079 847971724 /nfs/dbraw/zinc/97/17/24/847971724.db2.gz HJVJHSMYEHROAP-ZDUSSCGKSA-N 2 0 281.400 0.522 20 30 CCEDRP C=C[C@@](C)(O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001252556803 848003950 /nfs/dbraw/zinc/00/39/50/848003950.db2.gz FDONYRJMHHMYMX-CQSZACIVSA-N 2 0 255.406 0.493 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001274105173 848349907 /nfs/dbraw/zinc/34/99/07/848349907.db2.gz HEFBKANZQJNDJN-NNTXTVRGSA-N 2 0 263.385 0.756 20 30 CCEDRP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001274835092 848576127 /nfs/dbraw/zinc/57/61/27/848576127.db2.gz BNCJLXZDPGIZSA-KBPBESRZSA-N 2 0 283.416 0.625 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)CC#CCOC ZINC001275689532 848791936 /nfs/dbraw/zinc/79/19/36/848791936.db2.gz HXECUUZESBACNN-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046773132 851608272 /nfs/dbraw/zinc/60/82/72/851608272.db2.gz JLTATWRSONFPOC-CQSZACIVSA-N 2 0 261.369 0.296 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046839283 851626490 /nfs/dbraw/zinc/62/64/90/851626490.db2.gz QEXSQJZDWJJXCH-HIFRSBDPSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356536 851952389 /nfs/dbraw/zinc/95/23/89/851952389.db2.gz TWFPGWZDDHEBJA-ILXRZTDVSA-N 2 0 287.407 0.827 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058483 852148692 /nfs/dbraw/zinc/14/86/92/852148692.db2.gz DRJARTMDRRHXQC-HRCADAONSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1)C2 ZINC001096652676 852420542 /nfs/dbraw/zinc/42/05/42/852420542.db2.gz ZLIIFJVYLCNJQV-AGIUHOORSA-N 2 0 260.341 0.791 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001050643783 853406348 /nfs/dbraw/zinc/40/63/48/853406348.db2.gz PFINDGSNJOHGTL-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796167 854294835 /nfs/dbraw/zinc/29/48/35/854294835.db2.gz QBINWEUFWLRSCR-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072983288 854509011 /nfs/dbraw/zinc/50/90/11/854509011.db2.gz QOFHQSIYKBLARI-UONOGXRCSA-N 2 0 277.412 0.904 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036456 854519115 /nfs/dbraw/zinc/51/91/15/854519115.db2.gz AXTCBKBPSWTWQN-UHFFFAOYSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099874349 855015779 /nfs/dbraw/zinc/01/57/79/855015779.db2.gz JWJMBNOOPJSUJQ-KGLIPLIRSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898829 855023451 /nfs/dbraw/zinc/02/34/51/855023451.db2.gz INQWLCAZEBXSGG-CHWSQXEVSA-N 2 0 283.416 0.454 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064704 855090250 /nfs/dbraw/zinc/09/02/50/855090250.db2.gz QCTYMBWFJILXGL-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377035 855431793 /nfs/dbraw/zinc/43/17/93/855431793.db2.gz KOQIVJBOWLNAEF-MCIONIFRSA-N 2 0 265.401 0.644 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C[NH3+])CCOCC1 ZINC001119243471 856596426 /nfs/dbraw/zinc/59/64/26/856596426.db2.gz TXGQYSBRSPVOSK-VIFPVBQESA-N 2 0 261.753 0.080 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC001120472420 857080756 /nfs/dbraw/zinc/08/07/56/857080756.db2.gz MMRXMQPUIGOJJX-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001120496902 857092831 /nfs/dbraw/zinc/09/28/31/857092831.db2.gz NBSMROYWQJROAB-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001323591119 912434291 /nfs/dbraw/zinc/43/42/91/912434291.db2.gz FTZZLKRDFAEXHX-UHFFFAOYSA-N 2 0 263.385 0.897 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001324185795 912711099 /nfs/dbraw/zinc/71/10/99/912711099.db2.gz FFXDLETWWHFVND-AWEZNQCLSA-N 2 0 275.396 0.829 20 30 CCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001325832115 913601881 /nfs/dbraw/zinc/60/18/81/913601881.db2.gz BBJBJSXWYLWVDO-IIAWOOMASA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480947214 891927420 /nfs/dbraw/zinc/92/74/20/891927420.db2.gz NAHQLQHWGZLCKK-ZDUSSCGKSA-N 2 0 269.389 0.189 20 30 CCEDRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC#CCOC ZINC001481870207 893232571 /nfs/dbraw/zinc/23/25/71/893232571.db2.gz LSKZKBSCWAKPAU-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001482136385 893427605 /nfs/dbraw/zinc/42/76/05/893427605.db2.gz LNBBCSWVDNUSOV-CYBMUJFWSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482284316 893771922 /nfs/dbraw/zinc/77/19/22/893771922.db2.gz MUTLUGBWMGSLGS-KGLIPLIRSA-N 2 0 265.401 0.929 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC#CC)CC1 ZINC001482369294 893922996 /nfs/dbraw/zinc/92/29/96/893922996.db2.gz WBAMXKZGKFTIKU-OAHLLOKOSA-N 2 0 289.423 0.791 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001482603063 894389563 /nfs/dbraw/zinc/38/95/63/894389563.db2.gz RRFHNZNLVYPFGV-UHFFFAOYSA-N 2 0 295.427 0.511 20 30 CCEDRP C#CCC[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482628174 894430290 /nfs/dbraw/zinc/43/02/90/894430290.db2.gz GTYJCPRUQTVEJL-AWEZNQCLSA-N 2 0 265.401 0.742 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001482697955 894494845 /nfs/dbraw/zinc/49/48/45/894494845.db2.gz NFRZLHZFDDXPJI-GJZGRUSLSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482833641 894638606 /nfs/dbraw/zinc/63/86/06/894638606.db2.gz OYHPSLLQDWXEAA-JSGCOSHPSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482848429 894647699 /nfs/dbraw/zinc/64/76/99/894647699.db2.gz ZOJBESAADQCNPM-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506748409 894888839 /nfs/dbraw/zinc/88/88/39/894888839.db2.gz KKSCCWSZXMDLSO-CQSZACIVSA-N 2 0 297.443 0.967 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483382778 895524103 /nfs/dbraw/zinc/52/41/03/895524103.db2.gz DBHUMLFBSADDAZ-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483382784 895525780 /nfs/dbraw/zinc/52/57/80/895525780.db2.gz DBHUMLFBSADDAZ-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001484501853 896446458 /nfs/dbraw/zinc/44/64/58/896446458.db2.gz LQWHCJWGFGJEAB-HNNXBMFYSA-N 2 0 297.443 0.847 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]1C[NH3+] ZINC001523030443 896723293 /nfs/dbraw/zinc/72/32/93/896723293.db2.gz VXGNRGHGCMGURH-JHJVBQTASA-N 2 0 266.389 0.841 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001485100580 896772190 /nfs/dbraw/zinc/77/21/90/896772190.db2.gz GKTLYYIQUZRECC-UHFFFAOYSA-N 2 0 263.385 0.446 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001485621992 897153461 /nfs/dbraw/zinc/15/34/61/897153461.db2.gz BJOLFDCDGFLJCE-YHUYYLMFSA-N 2 0 289.423 0.646 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485665436 897167961 /nfs/dbraw/zinc/16/79/61/897167961.db2.gz MKZFHEUMUSXLFX-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443464 897574534 /nfs/dbraw/zinc/57/45/34/897574534.db2.gz WRBZOPRVQOFSEU-STQMWFEESA-N 2 0 261.369 0.389 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001486094945 898652737 /nfs/dbraw/zinc/65/27/37/898652737.db2.gz FMIQCPBOYWAJRJ-ZIAGYGMSSA-N 2 0 265.401 0.929 20 30 CCEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001490598072 900672063 /nfs/dbraw/zinc/67/20/63/900672063.db2.gz FITVEMZTHPNWQP-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490857339 902176818 /nfs/dbraw/zinc/17/68/18/902176818.db2.gz HDUCHGXTJWIKJY-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001327662442 902241992 /nfs/dbraw/zinc/24/19/92/902241992.db2.gz MYBQAUGZCKOSMQ-LBPRGKRZSA-N 2 0 264.373 0.752 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001327663850 914689135 /nfs/dbraw/zinc/68/91/35/914689135.db2.gz WLSSAKPSNOUWNM-UTUOFQBUSA-N 2 0 252.362 0.641 20 30 CCEDRP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001281163914 904236311 /nfs/dbraw/zinc/23/63/11/904236311.db2.gz RWMGRDFDONPKSM-GOEBONIOSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CCCC[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001281628058 904316386 /nfs/dbraw/zinc/31/63/86/904316386.db2.gz YZVUYNOUJGRFMZ-UHFFFAOYSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282738172 904528960 /nfs/dbraw/zinc/52/89/60/904528960.db2.gz PJEPUGXCZYZURE-OCCSQVGLSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001282738171 904533908 /nfs/dbraw/zinc/53/39/08/904533908.db2.gz PJEPUGXCZYZURE-JSGCOSHPSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001283926468 905088879 /nfs/dbraw/zinc/08/88/79/905088879.db2.gz IQBSMOFBRIDEKW-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001284501415 905337885 /nfs/dbraw/zinc/33/78/85/905337885.db2.gz DHKLDKRTHGIZFV-HUUCEWRRSA-N 2 0 295.427 0.245 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC001296699595 906948791 /nfs/dbraw/zinc/94/87/91/906948791.db2.gz YYSXJOMEZUGVNH-CQSZACIVSA-N 2 0 282.432 0.246 20 30 CCEDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001336732101 907970061 /nfs/dbraw/zinc/97/00/61/907970061.db2.gz AEKABHGNJKHAHB-AWEZNQCLSA-N 2 0 280.416 0.268 20 30 CCEDRP C=CCC[N@@H+](CCCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001316914488 908839188 /nfs/dbraw/zinc/83/91/88/908839188.db2.gz WCRIDQQXFMASBV-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001317108952 908984100 /nfs/dbraw/zinc/98/41/00/908984100.db2.gz IZZOJCCRKFNZAP-YIYPIFLZSA-N 2 0 263.385 0.587 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478562 909248150 /nfs/dbraw/zinc/24/81/50/909248150.db2.gz PCIXNUIIZHNDGK-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC#CCOC)C1 ZINC001317532532 909295693 /nfs/dbraw/zinc/29/56/93/909295693.db2.gz LNCKBUHVMGASIX-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317830849 909514329 /nfs/dbraw/zinc/51/43/29/909514329.db2.gz KYULLWFZVGUXHG-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318607933 909834456 /nfs/dbraw/zinc/83/44/56/909834456.db2.gz SMXZPXGUKMJWTP-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@](C)(NC(=O)CC[N@@H+](C)CC)C1CC1 ZINC001318728374 909873634 /nfs/dbraw/zinc/87/36/34/909873634.db2.gz NGRBZMMSCQPGAG-OAHLLOKOSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CC=CC2)CC1 ZINC001319319380 910092156 /nfs/dbraw/zinc/09/21/56/910092156.db2.gz DYPOSNJTHDCFKN-UHFFFAOYSA-N 2 0 261.369 0.320 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321847817 911526276 /nfs/dbraw/zinc/52/62/76/911526276.db2.gz BFTVANRFLPDLPJ-ZFWWWQNUSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001322298224 911750866 /nfs/dbraw/zinc/75/08/66/911750866.db2.gz JVYGHNMVUCJDPK-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322793905 911957473 /nfs/dbraw/zinc/95/74/73/911957473.db2.gz XUELKRGBUBSBEM-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322999238 912064478 /nfs/dbraw/zinc/06/44/78/912064478.db2.gz HCSBVWFNUSQRRT-HOTGVXAUSA-N 2 0 289.423 0.836 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001329533723 915993508 /nfs/dbraw/zinc/99/35/08/915993508.db2.gz ZGLIKLGGLACQDE-CYBMUJFWSA-N 2 0 269.389 0.024 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001330423475 916623036 /nfs/dbraw/zinc/62/30/36/916623036.db2.gz HCOWVLFAIDOETF-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001330432932 916627675 /nfs/dbraw/zinc/62/76/75/916627675.db2.gz YRXBFKDPWVHQLO-ZFWWWQNUSA-N 2 0 295.427 0.720 20 30 CCEDRP C[NH2+]C[C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331323168 917265331 /nfs/dbraw/zinc/26/53/31/917265331.db2.gz XLVFPLRRRDQPNX-WDBLDGLGSA-N 2 0 264.373 0.097 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001331975895 917773152 /nfs/dbraw/zinc/77/31/52/917773152.db2.gz KANVLAAKZVHIAG-HUUCEWRRSA-N 2 0 292.427 0.868 20 30 CCEDRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001332928763 918537987 /nfs/dbraw/zinc/53/79/87/918537987.db2.gz LVONHYWOTYJBBN-AWEZNQCLSA-N 2 0 295.431 0.151 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001335538749 920260674 /nfs/dbraw/zinc/26/06/74/920260674.db2.gz NUBSGAAZOPBSME-ZIAGYGMSSA-N 2 0 280.416 0.486 20 30 CCEDRP C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001340959026 922294157 /nfs/dbraw/zinc/29/41/57/922294157.db2.gz LQXKSROJOMTAAT-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001342274416 922891681 /nfs/dbraw/zinc/89/16/81/922891681.db2.gz HDBHIADPNJOJCM-WCQYABFASA-N 2 0 250.346 0.362 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001343012957 923165052 /nfs/dbraw/zinc/16/50/52/923165052.db2.gz PDZNVXGXYRLNCO-NTZNESFSSA-N 2 0 250.346 0.347 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001343764644 923461415 /nfs/dbraw/zinc/46/14/15/923461415.db2.gz KABRMARIEPLCLF-STQMWFEESA-N 2 0 266.389 0.904 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001344128895 923556669 /nfs/dbraw/zinc/55/66/69/923556669.db2.gz XZJCDSNFDXHFJK-NXEZZACHSA-N 2 0 277.290 0.195 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CCC[NH2+]1 ZINC001344877148 923716285 /nfs/dbraw/zinc/71/62/85/923716285.db2.gz OGZAUYLNHBUURY-SGMGOOAPSA-N 2 0 251.374 0.894 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345502571 923908405 /nfs/dbraw/zinc/90/84/05/923908405.db2.gz SEZDGGUNEPKIEC-IRCOFANPSA-N 2 0 250.346 0.407 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001356569595 926402122 /nfs/dbraw/zinc/40/21/22/926402122.db2.gz GCUSQRGVTJMBJD-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC001356623027 926413524 /nfs/dbraw/zinc/41/35/24/926413524.db2.gz WUNXWFRNZJDNCJ-CQSZACIVSA-N 2 0 296.415 0.267 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600719640 362044594 /nfs/dbraw/zinc/04/45/94/362044594.db2.gz CVXKSOVLLOJJBF-ZIAGYGMSSA-N 2 0 280.416 0.267 20 30 CCEDRP N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600738540 362050124 /nfs/dbraw/zinc/05/01/24/362050124.db2.gz LAFFTXIYEXJESD-STQMWFEESA-N 2 0 267.373 0.087 20 30 CCEDRP C[C@@H]1C[C@@H](C[NH+]2CCN(CCC#N)CC2)CC[NH2+]1 ZINC000602022193 362460963 /nfs/dbraw/zinc/46/09/63/362460963.db2.gz RGKLHDKHHNIVRE-KGLIPLIRSA-N 2 0 250.390 0.906 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000602532554 362661151 /nfs/dbraw/zinc/66/11/51/362661151.db2.gz YFMXBNMHXTUPOV-NWDGAFQWSA-N 2 0 252.362 0.464 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958914 348500794 /nfs/dbraw/zinc/50/07/94/348500794.db2.gz YKNKRKWUMWKDCO-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)[NH+](C)C ZINC000078695808 349150226 /nfs/dbraw/zinc/15/02/26/349150226.db2.gz OFVGDYBMUFRJCY-LBPRGKRZSA-N 2 0 254.378 0.630 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCCC#N ZINC000610145703 363539676 /nfs/dbraw/zinc/53/96/76/363539676.db2.gz ZBAOGNIAKLRIHH-UHFFFAOYSA-N 2 0 283.420 0.815 20 30 CCEDRP C#CCNC(=O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000491202071 358292715 /nfs/dbraw/zinc/29/27/15/358292715.db2.gz LNXYHJYRTXSSIS-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000592143766 359764159 /nfs/dbraw/zinc/76/41/59/359764159.db2.gz MSFPDZBNQVDOFG-QWHCGFSZSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592471078 359848680 /nfs/dbraw/zinc/84/86/80/359848680.db2.gz XWVLFCANGOWJOM-VNHYZAJKSA-N 2 0 262.401 0.952 20 30 CCEDRP C[C@@H]1[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000592761428 359926224 /nfs/dbraw/zinc/92/62/24/359926224.db2.gz NUVCNYOSGKBCDD-VXGBXAGGSA-N 2 0 264.373 0.431 20 30 CCEDRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438561 360307432 /nfs/dbraw/zinc/30/74/32/360307432.db2.gz OJZYLBMTEXWXPK-QWHCGFSZSA-N 2 0 282.388 0.235 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594442785 360311957 /nfs/dbraw/zinc/31/19/57/360311957.db2.gz VGJSMNBPGLBWPO-TUAOUCFPSA-N 2 0 252.362 0.606 20 30 CCEDRP N#Cc1ccc(CC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595897256 360696403 /nfs/dbraw/zinc/69/64/03/360696403.db2.gz RSFRTAYNJOENAS-UHFFFAOYSA-N 2 0 259.353 0.805 20 30 CCEDRP C=CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479606 412810024 /nfs/dbraw/zinc/81/00/24/412810024.db2.gz VHGQNIPLSQWOAK-UONOGXRCSA-N 2 0 293.411 0.964 20 30 CCEDRP C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000574462752 335021858 /nfs/dbraw/zinc/02/18/58/335021858.db2.gz LZAFQTIYZQEULV-GFCCVEGCSA-N 2 0 264.373 0.432 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638102962 374668222 /nfs/dbraw/zinc/66/82/22/374668222.db2.gz XRDAVNIFTNOAPF-HIFRSBDPSA-N 2 0 281.400 0.520 20 30 CCEDRP CNC(NCC1(N2CCCCC2)CC[NH+](C)CC1)=[NH+]C ZINC000304362219 389083211 /nfs/dbraw/zinc/08/32/11/389083211.db2.gz YACZERBYYMYFHP-UHFFFAOYSA-N 2 0 281.448 0.732 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000357247024 389132781 /nfs/dbraw/zinc/13/27/81/389132781.db2.gz YNIVCVLDLHDMCP-NSHDSACASA-N 2 0 251.374 0.609 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264283341 389318194 /nfs/dbraw/zinc/31/81/94/389318194.db2.gz OGPXDEGYYWYJQJ-CQSZACIVSA-N 2 0 292.431 0.741 20 30 CCEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1CC[N@H+](C)C1 ZINC000176363100 389556242 /nfs/dbraw/zinc/55/62/42/389556242.db2.gz ATBMVORHIAVJHG-ZDUSSCGKSA-N 2 0 292.431 0.654 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000491713621 390116269 /nfs/dbraw/zinc/11/62/69/390116269.db2.gz KGFKXQXMTGDFMH-CQSZACIVSA-N 2 0 282.432 0.956 20 30 CCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)CC#N)CC1 ZINC000583867349 390317933 /nfs/dbraw/zinc/31/79/33/390317933.db2.gz CMFUNBPCGCUPNG-ZDUSSCGKSA-N 2 0 268.405 0.124 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000519774124 390542121 /nfs/dbraw/zinc/54/21/21/390542121.db2.gz YKJPFYNIFVQGAU-STQMWFEESA-N 2 0 264.373 0.704 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241508 390875950 /nfs/dbraw/zinc/87/59/50/390875950.db2.gz QNEYAOZTZATOAJ-DZGCQCFKSA-N 2 0 295.427 0.768 20 30 CCEDRP C=CC1CC[NH+](C[C@H](O)CN(C)CCOC)CC1 ZINC000653555665 412317198 /nfs/dbraw/zinc/31/71/98/412317198.db2.gz OAFGVVOVQCVWSA-CQSZACIVSA-N 2 0 256.390 0.824 20 30 CCEDRP C=CC[C@]1(C(=O)NCC2(COC)CC[NH2+]CC2)CCC[NH2+]1 ZINC000662776437 414783402 /nfs/dbraw/zinc/78/34/02/414783402.db2.gz LULDWNNEMRJYQB-MRXNPFEDSA-N 2 0 295.427 0.817 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CCC[NH2+]1 ZINC000662710554 414745063 /nfs/dbraw/zinc/74/50/63/414745063.db2.gz HADHSWQANXKHNL-GOEBONIOSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000490655934 261178157 /nfs/dbraw/zinc/17/81/57/261178157.db2.gz FBKCZAGYAFREMP-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C)[C@@H](O)C2)C[C@@H]1O ZINC000341905926 263365249 /nfs/dbraw/zinc/36/52/49/263365249.db2.gz SVARYCZAPJUCRI-FZKCQIBNSA-N 2 0 280.412 0.395 20 30 CCEDRP CC[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@H](O)[C@H](CC)C2)C[C@@H]1O ZINC000341902929 263365487 /nfs/dbraw/zinc/36/54/87/263365487.db2.gz GHQYACXVYLEUBP-WCVJEAGWSA-N 2 0 280.412 0.395 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357077277 266242872 /nfs/dbraw/zinc/24/28/72/266242872.db2.gz AMCIKNBAGNNEOV-TZMCWYRMSA-N 2 0 265.401 0.999 20 30 CCEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC#N ZINC000358629565 266483466 /nfs/dbraw/zinc/48/34/66/266483466.db2.gz MJCUWCFJSSRDGV-UHFFFAOYSA-N 2 0 254.378 0.632 20 30 CCEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000332729561 290174428 /nfs/dbraw/zinc/17/44/28/290174428.db2.gz VDJVSIOPNKGTSQ-MELADBBJSA-N 2 0 278.400 0.950 20 30 CCEDRP C=C(C)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507442599 332805740 /nfs/dbraw/zinc/80/57/40/332805740.db2.gz RYSDMBHNQJJCBA-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914959 329072475 /nfs/dbraw/zinc/07/24/75/329072475.db2.gz IUZLNLVKKBSRHW-UHFFFAOYSA-N 2 0 254.378 0.578 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000178769110 329202504 /nfs/dbraw/zinc/20/25/04/329202504.db2.gz SAXGKFPXARKTSZ-LBPRGKRZSA-N 2 0 271.430 0.833 20 30 CCEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC2CCCCC2)C1 ZINC000262276078 330003685 /nfs/dbraw/zinc/00/36/85/330003685.db2.gz HWFRWYNNRLNFRC-CYBMUJFWSA-N 2 0 254.378 0.290 20 30 CCEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)NC1CC1 ZINC000262455842 330014519 /nfs/dbraw/zinc/01/45/19/330014519.db2.gz WKBZGYKCXVWAIO-UHFFFAOYSA-N 2 0 266.389 0.698 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000263187321 330048132 /nfs/dbraw/zinc/04/81/32/330048132.db2.gz VBHPLLSXQNIRAR-SMDDNHRTSA-N 2 0 281.404 0.044 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000490922442 332129467 /nfs/dbraw/zinc/12/94/67/332129467.db2.gz DIPSEIOQEHJUEV-UHFFFAOYSA-N 2 0 275.396 0.710 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000491802447 332356704 /nfs/dbraw/zinc/35/67/04/332356704.db2.gz GJRUUMIRIBEGEY-OAHLLOKOSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000491817909 332368256 /nfs/dbraw/zinc/36/82/56/332368256.db2.gz JTQLHITXLZMRCE-RRFJBIMHSA-N 2 0 292.427 0.629 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578979418 335694806 /nfs/dbraw/zinc/69/48/06/335694806.db2.gz FSLGWSCOIBETNQ-OCCSQVGLSA-N 2 0 264.373 0.610 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352509174 526586373 /nfs/dbraw/zinc/58/63/73/526586373.db2.gz JRVCUFNRMXGCPK-UHFFFAOYSA-N 2 0 296.415 0.839 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1(C)OCCO1 ZINC000305816625 649880510 /nfs/dbraw/zinc/88/05/10/649880510.db2.gz MOKUEVNBGOKACR-GFCCVEGCSA-N 2 0 284.404 0.528 20 30 CCEDRP C#CCNC(=O)CN(C)C1CC[NH+](CCC)CC1 ZINC000731846734 581783027 /nfs/dbraw/zinc/78/30/27/581783027.db2.gz NBXALWJRYCMGIV-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000764509506 582054163 /nfs/dbraw/zinc/05/41/63/582054163.db2.gz VHRXQGSNWGDQSV-UHFFFAOYSA-N 2 0 296.459 0.638 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000764582732 582057159 /nfs/dbraw/zinc/05/71/59/582057159.db2.gz KBCLMLHSUSYYEF-CQSZACIVSA-N 2 0 281.400 0.285 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884430093 614274281 /nfs/dbraw/zinc/27/42/81/614274281.db2.gz DSVYXSCSIJHIRC-IOSBVQAASA-N 2 0 290.411 0.582 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000965063118 612954601 /nfs/dbraw/zinc/95/46/01/612954601.db2.gz JWIBISPVNDNDND-KBMGIXFMSA-N 2 0 289.423 0.834 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939127006 612968997 /nfs/dbraw/zinc/96/89/97/612968997.db2.gz AFUHSVQCQWQXHT-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549813 613024213 /nfs/dbraw/zinc/02/42/13/613024213.db2.gz YKQKVOCUAKPWCG-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905049262 613072684 /nfs/dbraw/zinc/07/26/84/613072684.db2.gz QJRHFSHOQCMLPP-LBPRGKRZSA-N 2 0 268.430 0.951 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831194223 613076094 /nfs/dbraw/zinc/07/60/94/613076094.db2.gz XPYNVVPWAHRNMC-CYBMUJFWSA-N 2 0 278.400 0.383 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843897126 613077660 /nfs/dbraw/zinc/07/76/60/613077660.db2.gz RAHCPLYPLMSEHE-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000919963298 613130247 /nfs/dbraw/zinc/13/02/47/613130247.db2.gz YMJIUHLMTQPJIQ-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982150687 613140763 /nfs/dbraw/zinc/14/07/63/613140763.db2.gz QEGYIGVWEQOJPO-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP C#CCN1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000905463144 613192824 /nfs/dbraw/zinc/19/28/24/613192824.db2.gz XRSIXPZFYKZWMX-GJZGRUSLSA-N 2 0 265.401 0.130 20 30 CCEDRP CNC(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)=[NH+]C ZINC000849215112 613218931 /nfs/dbraw/zinc/21/89/31/613218931.db2.gz ODQKMTOPOMNICB-CQSZACIVSA-N 2 0 276.384 0.548 20 30 CCEDRP C[NH+]=C(NCCC[N@@H+]1CCCO[C@@H](C)C1)NC1CC1 ZINC000849022522 613219554 /nfs/dbraw/zinc/21/95/54/613219554.db2.gz GMSVSHNKMYEBIL-LBPRGKRZSA-N 2 0 268.405 0.815 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473638 613297420 /nfs/dbraw/zinc/29/74/20/613297420.db2.gz YECFFYRBZYFQJH-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911942645 613365777 /nfs/dbraw/zinc/36/57/77/613365777.db2.gz IAQVUXSZVOMNDY-UHFFFAOYSA-N 2 0 269.389 0.019 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000876788091 613389144 /nfs/dbraw/zinc/38/91/44/613389144.db2.gz XPYYQEZQQGVLEY-MNOVXSKESA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000876856467 613389597 /nfs/dbraw/zinc/38/95/97/613389597.db2.gz FUUGMVLPOWNPKG-VWYCJHECSA-N 2 0 257.765 0.667 20 30 CCEDRP C=CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550031 613488016 /nfs/dbraw/zinc/48/80/16/613488016.db2.gz MIVPTUGQWDILGG-OLZOCXBDSA-N 2 0 265.357 0.820 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000969971099 613530840 /nfs/dbraw/zinc/53/08/40/613530840.db2.gz WVVCLUTYPCYHMZ-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969413384 613531217 /nfs/dbraw/zinc/53/12/17/613531217.db2.gz XZVZQSGEILVXAZ-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000977962509 613629324 /nfs/dbraw/zinc/62/93/24/613629324.db2.gz YJEBKSDLNGYDOE-APIJFGDWSA-N 2 0 275.396 0.398 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC000962302507 613634475 /nfs/dbraw/zinc/63/44/75/613634475.db2.gz DCOLXQXKAYKMMC-NYTXWWLZSA-N 2 0 275.396 0.398 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844183301 613674574 /nfs/dbraw/zinc/67/45/74/613674574.db2.gz WNHUWIHWKPIOGD-CQSZACIVSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884213652 613675898 /nfs/dbraw/zinc/67/58/98/613675898.db2.gz HOOXJLNDXQTLOP-ZDUSSCGKSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958215895 613830012 /nfs/dbraw/zinc/83/00/12/613830012.db2.gz YIGNOUXVPAPSGZ-KGLIPLIRSA-N 2 0 293.411 0.210 20 30 CCEDRP CC(C)[C@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884034348 614227086 /nfs/dbraw/zinc/22/70/86/614227086.db2.gz CCNOGWQPDGAORX-CBKZZEEASA-N 2 0 264.373 0.225 20 30 CCEDRP CC(C)[NH+](CCNC(=[NH2+])N1CCOCC1)C(C)C ZINC000104153827 614289854 /nfs/dbraw/zinc/28/98/54/614289854.db2.gz ABFFDQNYCLSGQD-UHFFFAOYSA-N 2 0 256.394 0.752 20 30 CCEDRP CCCNC(=[NH2+])NCCCC[NH+]1CCN(CC)CC1 ZINC000104170009 614587662 /nfs/dbraw/zinc/58/76/62/614587662.db2.gz SPAUAPGCTQWLAO-UHFFFAOYSA-N 2 0 269.437 0.718 20 30 CCEDRP CN1CCC[NH+]=C1NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000848989786 616186140 /nfs/dbraw/zinc/18/61/40/616186140.db2.gz BIDFSQNTLBJMPW-UHFFFAOYSA-N 2 0 295.431 0.245 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC000877452245 616198228 /nfs/dbraw/zinc/19/82/28/616198228.db2.gz VDPLSBRYNBSSLD-LSDHHAIUSA-N 2 0 275.396 0.685 20 30 CCEDRP C[N@@H+]1CCC[C@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000852887461 616215265 /nfs/dbraw/zinc/21/52/65/616215265.db2.gz AMGBOQDYIMHKQW-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[C@H]1CC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000934459317 622709881 /nfs/dbraw/zinc/70/98/81/622709881.db2.gz ICJOHXRQHOMLRJ-ZDUSSCGKSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024808183 623449633 /nfs/dbraw/zinc/44/96/33/623449633.db2.gz DOKWLYAARLGVPT-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001020905143 624623577 /nfs/dbraw/zinc/62/35/77/624623577.db2.gz UVWHKNHLWGDHNO-WKILWMFISA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC3CC3)C2)CC1 ZINC001021092731 624657796 /nfs/dbraw/zinc/65/77/96/624657796.db2.gz RUCYMKOCTQJGDE-WKILWMFISA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001022278197 624908380 /nfs/dbraw/zinc/90/83/80/624908380.db2.gz HLIXXNIZMDQJIW-LJISPDSOSA-N 2 0 275.396 0.873 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001027580746 630772293 /nfs/dbraw/zinc/77/22/93/630772293.db2.gz AAMQDRDWROVHIW-KGLIPLIRSA-N 2 0 265.401 0.883 20 30 CCEDRP C=CCN1CC[C@@H]([N@H+](C)CC2CC[NH2+]CC2)C1=O ZINC000261951906 631727934 /nfs/dbraw/zinc/72/79/34/631727934.db2.gz OBMKEIUNAUOVKR-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000985653295 632611319 /nfs/dbraw/zinc/61/13/19/632611319.db2.gz KZICBUNMVWEXPR-DZGCQCFKSA-N 2 0 277.412 0.740 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000987127896 632825677 /nfs/dbraw/zinc/82/56/77/632825677.db2.gz ZTJPKSVNDPIMCV-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cncc2C)C1 ZINC000989185324 633165851 /nfs/dbraw/zinc/16/58/51/633165851.db2.gz DODKUDLSOUMGER-DGCLKSJQSA-N 2 0 260.341 0.404 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681641 633344883 /nfs/dbraw/zinc/34/48/83/633344883.db2.gz FIBBCCLMTWRBBY-QWHCGFSZSA-N 2 0 261.369 0.294 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001008539629 650119126 /nfs/dbraw/zinc/11/91/26/650119126.db2.gz LREHTCGUTKXHBA-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@H]1CCCO1 ZINC000072749517 638766150 /nfs/dbraw/zinc/76/61/50/638766150.db2.gz VAJDKCNENCTYFR-RYUDHWBXSA-N 2 0 254.378 0.282 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996728354 638830288 /nfs/dbraw/zinc/83/02/88/638830288.db2.gz JBEBSBQWOQLKSP-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000998794208 638942525 /nfs/dbraw/zinc/94/25/25/638942525.db2.gz NLPUTIPFGPDHKW-PFSRBDOWSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001000844150 639181922 /nfs/dbraw/zinc/18/19/22/639181922.db2.gz JRXUPVOOYUJKJI-UKRRQHHQSA-N 2 0 291.395 0.087 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001151670 639247926 /nfs/dbraw/zinc/24/79/26/639247926.db2.gz OAGRQZSOYBDHBT-GDBMZVCRSA-N 2 0 289.423 0.956 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001016534494 640211732 /nfs/dbraw/zinc/21/17/32/640211732.db2.gz AYNXXKOLDVNNMU-UONOGXRCSA-N 2 0 275.396 0.685 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000843462627 643066661 /nfs/dbraw/zinc/06/66/61/643066661.db2.gz ROAGTPLAFNQLPV-UKRRQHHQSA-N 2 0 298.390 0.536 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1CC[NH3+] ZINC000846677104 643442014 /nfs/dbraw/zinc/44/20/14/643442014.db2.gz KMWQBZILHNYYFW-WCQYABFASA-N 2 0 258.325 0.029 20 30 CCEDRP [NH3+]CCCOC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852798467 644002741 /nfs/dbraw/zinc/00/27/41/644002741.db2.gz LHHOBGWJDCPNLB-UHFFFAOYSA-N 2 0 293.411 0.346 20 30 CCEDRP C[C@@H](CCCC[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852881770 644040660 /nfs/dbraw/zinc/04/06/60/644040660.db2.gz PMRTWLGGVRUYOJ-LBPRGKRZSA-N 2 0 251.374 0.623 20 30 CCEDRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852885829 644042993 /nfs/dbraw/zinc/04/29/93/644042993.db2.gz ZYQZGTASPOGVOH-HNNXBMFYSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001019087063 650937543 /nfs/dbraw/zinc/93/75/43/650937543.db2.gz CWDGWNHFGZCMAI-ZDUSSCGKSA-N 2 0 261.369 0.439 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001019813604 651007805 /nfs/dbraw/zinc/00/78/05/651007805.db2.gz IQYAOGJRUNLLFM-HNNXBMFYSA-N 2 0 273.380 0.155 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H](C[NH3+])C1CC1 ZINC000867961294 645689654 /nfs/dbraw/zinc/68/96/54/645689654.db2.gz WCROBQABCXHDAM-CABCVRRESA-N 2 0 284.363 0.599 20 30 CCEDRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867972792 645694613 /nfs/dbraw/zinc/69/46/13/645694613.db2.gz KCVFYYHNZUDQFW-RDJZCZTQSA-N 2 0 298.390 0.942 20 30 CCEDRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876857286 646682785 /nfs/dbraw/zinc/68/27/85/646682785.db2.gz AGXBDEROCCMWEZ-XHDPSFHLSA-N 2 0 286.379 0.989 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1([NH3+])CCCC1)C2 ZINC000884403961 647729684 /nfs/dbraw/zinc/72/96/84/647729684.db2.gz XDDSXAWGKKJGKM-MBHSVXNSSA-N 2 0 276.384 0.513 20 30 CCEDRP C[C@@H](CNC(=[NH2+])NC(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000104174554 648204755 /nfs/dbraw/zinc/20/47/55/648204755.db2.gz HFNVAGHJAXSRSU-LBPRGKRZSA-N 2 0 269.437 0.573 20 30 CCEDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893174 648468678 /nfs/dbraw/zinc/46/86/78/648468678.db2.gz MKOSBLITSUGUGR-IACUBPJLSA-N 2 0 289.383 0.707 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303978986 649827540 /nfs/dbraw/zinc/82/75/40/649827540.db2.gz MRJSQYMMWAOBKF-LBPRGKRZSA-N 2 0 253.394 0.103 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000303381912 649817353 /nfs/dbraw/zinc/81/73/53/649817353.db2.gz SEHBOMQWEZSRBP-AWEZNQCLSA-N 2 0 297.447 0.097 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000303776137 649824492 /nfs/dbraw/zinc/82/44/92/649824492.db2.gz HNKLHSHEXOBKHE-CHWSQXEVSA-N 2 0 268.405 0.966 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303876056 649825777 /nfs/dbraw/zinc/82/57/77/649825777.db2.gz DOTZQJHAHXISTA-GFCCVEGCSA-N 2 0 272.393 0.038 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCC[C@H](C)C1 ZINC000303897706 649826624 /nfs/dbraw/zinc/82/66/24/649826624.db2.gz QUTDZGFQXJWHHN-NWDGAFQWSA-N 2 0 256.394 0.658 20 30 CCEDRP CC(C)CCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303973079 649827391 /nfs/dbraw/zinc/82/73/91/649827391.db2.gz GORVSMHQTAREMM-CYBMUJFWSA-N 2 0 269.437 0.573 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H](C)COC ZINC000304853767 649840172 /nfs/dbraw/zinc/84/01/72/649840172.db2.gz ZSUBPIDTERJXLL-VXGBXAGGSA-N 2 0 274.409 0.282 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230141994 805583543 /nfs/dbraw/zinc/58/35/43/805583543.db2.gz ZDOIIPQUWHGTLY-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)CCC)CC1 ZINC001266381190 790615323 /nfs/dbraw/zinc/61/53/23/790615323.db2.gz YJOZDPCCMKEKAI-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266419162 790663820 /nfs/dbraw/zinc/66/38/20/790663820.db2.gz XWBKSVQMZIQEGO-CQSZACIVSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001266489038 790780177 /nfs/dbraw/zinc/78/01/77/790780177.db2.gz VVDZKTFJPGXGFI-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+]CCCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001277608942 805896534 /nfs/dbraw/zinc/89/65/34/805896534.db2.gz UJRCLTDVTOYAQZ-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266879425 791317283 /nfs/dbraw/zinc/31/72/83/791317283.db2.gz WGLSFCOJOGSZHB-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267196248 791658460 /nfs/dbraw/zinc/65/84/60/791658460.db2.gz CQPMTZZRTTVDNH-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccnc(C#N)c1 ZINC001237470049 806672269 /nfs/dbraw/zinc/67/22/69/806672269.db2.gz MABBKQUDCMXWIN-UHFFFAOYSA-N 2 0 275.400 0.878 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001121922569 799094231 /nfs/dbraw/zinc/09/42/31/799094231.db2.gz MASDITGFBGKRPH-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001278201703 806770059 /nfs/dbraw/zinc/77/00/59/806770059.db2.gz JICWPPCWCASNFE-KGLIPLIRSA-N 2 0 283.416 0.360 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(C#N)CC1 ZINC001143188785 800204891 /nfs/dbraw/zinc/20/48/91/800204891.db2.gz TZMHHCIKTPIVJP-UHFFFAOYSA-N 2 0 251.334 0.354 20 30 CCEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151057032 800391844 /nfs/dbraw/zinc/39/18/44/800391844.db2.gz QDYMMLMYIOWRLP-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151815534 800461370 /nfs/dbraw/zinc/46/13/70/800461370.db2.gz WQKKXCXMIQOOOE-OAHLLOKOSA-N 2 0 295.427 0.769 20 30 CCEDRP C=CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023296 800892062 /nfs/dbraw/zinc/89/20/62/800892062.db2.gz DPMNYHRFIVGRGF-CYBMUJFWSA-N 2 0 298.431 0.067 20 30 CCEDRP C=CCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239362070 806891977 /nfs/dbraw/zinc/89/19/77/806891977.db2.gz DKDGIOPALAGCGT-LLVKDONJSA-N 2 0 268.430 0.511 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160835250 802025121 /nfs/dbraw/zinc/02/51/21/802025121.db2.gz XYJXBJTUEYXBGO-UHFFFAOYSA-N 2 0 277.412 0.982 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161042403 802074334 /nfs/dbraw/zinc/07/43/34/802074334.db2.gz QMZRUZKZBFVNRG-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP N#CCc1cncc(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162292144 802302588 /nfs/dbraw/zinc/30/25/88/802302588.db2.gz LSMWOXVBNMVSNZ-UHFFFAOYSA-N 2 0 262.361 0.673 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cnc(C#N)c(C)n1 ZINC001163129063 802488664 /nfs/dbraw/zinc/48/86/64/802488664.db2.gz UFCWNEISYISTCV-UHFFFAOYSA-N 2 0 275.360 0.935 20 30 CCEDRP N#CCc1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC001163325226 802534285 /nfs/dbraw/zinc/53/42/85/802534285.db2.gz ARGXTHXXOGNBCV-GJZGRUSLSA-N 2 0 272.352 0.893 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001264726483 809675074 /nfs/dbraw/zinc/67/50/74/809675074.db2.gz WUXRYXZYBTZOMV-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360420 802827015 /nfs/dbraw/zinc/82/70/15/802827015.db2.gz ODLWIIIESHARFT-UHFFFAOYSA-N 2 0 269.389 0.074 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576282 803036049 /nfs/dbraw/zinc/03/60/49/803036049.db2.gz BTBUNIVKQGHHOU-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203641699 803039708 /nfs/dbraw/zinc/03/97/08/803039708.db2.gz UJAPCALBCFSQMZ-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001276422054 803045963 /nfs/dbraw/zinc/04/59/63/803045963.db2.gz OURNEXPORNONLK-GFCCVEGCSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206794305 803287901 /nfs/dbraw/zinc/28/79/01/803287901.db2.gz LPRWSVJKOMTFEP-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208496006 803518653 /nfs/dbraw/zinc/51/86/53/803518653.db2.gz GJJYSFVMUZJBLU-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297446 803647118 /nfs/dbraw/zinc/64/71/18/803647118.db2.gz GAAGXVHFYDIADA-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929547 803706661 /nfs/dbraw/zinc/70/66/61/803706661.db2.gz ANUXUXWBQBTRNJ-ZIAGYGMSSA-N 2 0 281.400 0.165 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415756 803808459 /nfs/dbraw/zinc/80/84/59/803808459.db2.gz KEWAVNDYKFGSER-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755853 803855653 /nfs/dbraw/zinc/85/56/53/803855653.db2.gz HDRMURCXVDMEHG-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218658489 804067770 /nfs/dbraw/zinc/06/77/70/804067770.db2.gz DYHGGWXYQXBHGY-NSHDSACASA-N 2 0 271.324 0.009 20 30 CCEDRP N#CNC(=NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c1ccncc1 ZINC001219971712 804461382 /nfs/dbraw/zinc/46/13/82/804461382.db2.gz AITBFDNQUAGIPE-LBPRGKRZSA-N 2 0 288.355 0.272 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1F ZINC001220449205 804607446 /nfs/dbraw/zinc/60/74/46/804607446.db2.gz OTAMCXJFVJMDHB-CQSZACIVSA-N 2 0 290.342 0.640 20 30 CCEDRP CC(C)(S)CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220484640 804614058 /nfs/dbraw/zinc/61/40/58/804614058.db2.gz MOTNBZOJGRRGSH-JTQLQIEISA-N 2 0 271.430 0.685 20 30 CCEDRP C=C[C@H]1C[C@@]1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220572956 804627686 /nfs/dbraw/zinc/62/76/86/804627686.db2.gz CWTUERJBHVFEKH-HUBLWGQQSA-N 2 0 297.399 0.457 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073352 804726644 /nfs/dbraw/zinc/72/66/44/804726644.db2.gz RTORPEFOICUPQI-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001221406787 804808639 /nfs/dbraw/zinc/80/86/39/804808639.db2.gz IKLIORMLIFHRGY-DYEKYZERSA-N 2 0 251.374 0.572 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001272172984 815036551 /nfs/dbraw/zinc/03/65/51/815036551.db2.gz UOAUPGIPPSRWGH-OAHLLOKOSA-N 2 0 295.427 0.368 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H]1C ZINC001088658662 815051757 /nfs/dbraw/zinc/05/17/57/815051757.db2.gz ODNLBLFEGXOIDS-APIJFGDWSA-N 2 0 295.427 0.861 20 30 CCEDRP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001277299316 805445609 /nfs/dbraw/zinc/44/56/09/805445609.db2.gz PWGCAVDHQGTOMV-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245982520 807105393 /nfs/dbraw/zinc/10/53/93/807105393.db2.gz SJVGPNIRIZBZHB-KBPBESRZSA-N 2 0 266.385 0.509 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246020416 807120340 /nfs/dbraw/zinc/12/03/40/807120340.db2.gz LBCKIMOGVSLWBG-OLZOCXBDSA-N 2 0 258.337 0.150 20 30 CCEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246022937 807122139 /nfs/dbraw/zinc/12/21/39/807122139.db2.gz RACFIZQQWLRHNI-STQMWFEESA-N 2 0 260.353 0.703 20 30 CCEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCC[C@](F)(C[NH3+])CC2)CCN1 ZINC001246556977 807286946 /nfs/dbraw/zinc/28/69/46/807286946.db2.gz IWCMKTVPAGDZKT-YNEHKIRRSA-N 2 0 254.353 0.783 20 30 CCEDRP N#Cc1cccc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)c1 ZINC001247850939 807496365 /nfs/dbraw/zinc/49/63/65/807496365.db2.gz KIKUDMZHTNIHDY-UHFFFAOYSA-N 2 0 281.319 0.669 20 30 CCEDRP C=CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252463216 807873941 /nfs/dbraw/zinc/87/39/41/807873941.db2.gz MYPOWFFKOXMXHU-HRCADAONSA-N 2 0 297.443 0.260 20 30 CCEDRP C=C[C@@](C)(O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001252552012 807907383 /nfs/dbraw/zinc/90/73/83/807907383.db2.gz FWPXTBLRAWUHCF-BZUAXINKSA-N 2 0 298.427 0.593 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001278689656 807994487 /nfs/dbraw/zinc/99/44/87/807994487.db2.gz GBZZZSXPSMUPRG-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001278761306 808178878 /nfs/dbraw/zinc/17/88/78/808178878.db2.gz DFUUTTNNPYGMDI-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278865495 808358176 /nfs/dbraw/zinc/35/81/76/808358176.db2.gz ZMNPNZIHGVVMSU-HUUCEWRRSA-N 2 0 297.443 0.798 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001279024006 808623086 /nfs/dbraw/zinc/62/30/86/808623086.db2.gz FIOIYCRHWREIMN-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076243000 815265918 /nfs/dbraw/zinc/26/59/18/815265918.db2.gz ZDNKPGRZIUJCPO-OWCLPIDISA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001263178325 809471312 /nfs/dbraw/zinc/47/13/12/809471312.db2.gz JMDFRMIPMHOFJA-AWEZNQCLSA-N 2 0 257.337 0.040 20 30 CCEDRP CC#CCN1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001263812178 809575362 /nfs/dbraw/zinc/57/53/62/809575362.db2.gz IOKYGWXMELIXLK-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001263833673 809583101 /nfs/dbraw/zinc/58/31/01/809583101.db2.gz IWOMDJNFBWTPQB-IMJJTQAJSA-N 2 0 289.423 0.836 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467497 815301183 /nfs/dbraw/zinc/30/11/83/815301183.db2.gz LONMYJHFBHRQCJ-UONOGXRCSA-N 2 0 275.396 0.801 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001265433915 809778390 /nfs/dbraw/zinc/77/83/90/809778390.db2.gz PSCOIZUMGCJBNF-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001266013597 809917502 /nfs/dbraw/zinc/91/75/02/809917502.db2.gz YYPCPOQSKQFSOR-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266040724 809924631 /nfs/dbraw/zinc/92/46/31/809924631.db2.gz NIZQJDCUIXZUFV-HNNXBMFYSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001266175076 809956055 /nfs/dbraw/zinc/95/60/55/809956055.db2.gz DCYZEQHNIKBRIT-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001266182941 809957137 /nfs/dbraw/zinc/95/71/37/809957137.db2.gz SCUXJRZKIOPQME-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+]C1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001279446637 809980152 /nfs/dbraw/zinc/98/01/52/809980152.db2.gz RJHWQFBQXNLSKQ-UHFFFAOYSA-N 2 0 294.443 0.132 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267307232 811128801 /nfs/dbraw/zinc/12/88/01/811128801.db2.gz OMRSXASEWWSOED-UONOGXRCSA-N 2 0 265.401 0.644 20 30 CCEDRP C#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001267327749 811160455 /nfs/dbraw/zinc/16/04/55/811160455.db2.gz YXKJBZZHCHIMQP-AWEZNQCLSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267419980 811292466 /nfs/dbraw/zinc/29/24/66/811292466.db2.gz XPPFJHCMWCJMLX-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267622233 811579661 /nfs/dbraw/zinc/57/96/61/811579661.db2.gz RHHPLTSMZVQKKM-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001279746274 811632975 /nfs/dbraw/zinc/63/29/75/811632975.db2.gz KBSZWGFLIMDLMX-GJZGRUSLSA-N 2 0 293.411 0.047 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001028320335 812612729 /nfs/dbraw/zinc/61/27/29/812612729.db2.gz QEUZSEIRUSANCY-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028538321 812826950 /nfs/dbraw/zinc/82/69/50/812826950.db2.gz BMKLEAWGWVNTOA-HOCLYGCPSA-N 2 0 289.423 0.790 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268752428 813062240 /nfs/dbraw/zinc/06/22/40/813062240.db2.gz NNBYHXFPMPJRFS-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001028641121 813097699 /nfs/dbraw/zinc/09/76/99/813097699.db2.gz BSRYIYROGTXKHM-KGLIPLIRSA-N 2 0 286.379 0.517 20 30 CCEDRP C=CCOCC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001268879794 813130478 /nfs/dbraw/zinc/13/04/78/813130478.db2.gz WFILRVRCKPTDSG-AWEZNQCLSA-N 2 0 295.427 0.579 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001269510028 813400316 /nfs/dbraw/zinc/40/03/16/813400316.db2.gz NKCWVAHVNYJXDF-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001269970467 813571737 /nfs/dbraw/zinc/57/17/37/813571737.db2.gz CVGHMFDYWUMDPL-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001271860150 814613894 /nfs/dbraw/zinc/61/38/94/814613894.db2.gz GKBLWSPWPBPRAW-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001272315599 816304025 /nfs/dbraw/zinc/30/40/25/816304025.db2.gz SDLJJKKMCNYJAY-OKILXGFUSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106199006 816640372 /nfs/dbraw/zinc/64/03/72/816640372.db2.gz WCICZOZDVQLWSW-RBSFLKMASA-N 2 0 297.418 0.984 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCCC)CC1 ZINC001272583158 816661424 /nfs/dbraw/zinc/66/14/24/816661424.db2.gz GDGYNNBKPMETLV-HNNXBMFYSA-N 2 0 295.427 0.198 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584316 817165100 /nfs/dbraw/zinc/16/51/00/817165100.db2.gz BPXRBTWYVOWRHM-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981397 817568583 /nfs/dbraw/zinc/56/85/83/817568583.db2.gz MIIWGEPWYBPXRA-QLFBSQMISA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)C[C@H]1C ZINC001107009027 817643191 /nfs/dbraw/zinc/64/31/91/817643191.db2.gz IDGPGRPQWQYDJB-KFWWJZLASA-N 2 0 293.411 0.024 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047511919 817643545 /nfs/dbraw/zinc/64/35/45/817643545.db2.gz YMBKLXOHRRTZNB-KBPBESRZSA-N 2 0 281.400 0.018 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780420 817860960 /nfs/dbraw/zinc/86/09/60/817860960.db2.gz YTMDQWJBYQLXDJ-OLZOCXBDSA-N 2 0 267.373 0.132 20 30 CCEDRP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273017938 818430059 /nfs/dbraw/zinc/43/00/59/818430059.db2.gz FGRNXPZAHASHFW-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082579 818499638 /nfs/dbraw/zinc/49/96/38/818499638.db2.gz SAZKBDDUPRCOPH-CABCVRRESA-N 2 0 275.396 0.494 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128534121 818612644 /nfs/dbraw/zinc/61/26/44/818612644.db2.gz WCUVSJWQGKELFJ-GFCCVEGCSA-N 2 0 259.369 0.948 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935500 820658010 /nfs/dbraw/zinc/65/80/10/820658010.db2.gz XGKWEUPMITVICC-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001082394784 820955378 /nfs/dbraw/zinc/95/53/78/820955378.db2.gz FXDHGDIFKCNPGA-ZIAGYGMSSA-N 2 0 292.383 0.665 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520655 820993633 /nfs/dbraw/zinc/99/36/33/820993633.db2.gz KYPRISIVKYQTBA-AAVRWANBSA-N 2 0 265.401 0.949 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943709 821438232 /nfs/dbraw/zinc/43/82/32/821438232.db2.gz UXTYTPKZYJEMJP-FPCVCCKLSA-N 2 0 289.423 0.883 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871603 821467306 /nfs/dbraw/zinc/46/73/06/821467306.db2.gz HUKRFSYPIDJISZ-STQMWFEESA-N 2 0 281.400 0.208 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(CC)CCO1 ZINC001085428519 821682472 /nfs/dbraw/zinc/68/24/72/821682472.db2.gz GAJQVQSXJZASPI-KFWWJZLASA-N 2 0 295.427 0.910 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000828690473 821805233 /nfs/dbraw/zinc/80/52/33/821805233.db2.gz RTKFLJANGWTDTN-UHFFFAOYSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001086101946 822113874 /nfs/dbraw/zinc/11/38/74/822113874.db2.gz BZXUHKSABRGFCH-ZNMIVQPWSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086197756 822151724 /nfs/dbraw/zinc/15/17/24/822151724.db2.gz ZMGQXNLJQYDZTP-MQYQWHSLSA-N 2 0 263.385 0.302 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086326999 822208415 /nfs/dbraw/zinc/20/84/15/822208415.db2.gz LCFOTCVWYIDDLZ-JHJVBQTASA-N 2 0 251.374 0.751 20 30 CCEDRP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114042253 837414552 /nfs/dbraw/zinc/41/45/52/837414552.db2.gz YWHFMOJWNFSCGZ-LJISPDSOSA-N 2 0 293.411 0.330 20 30 CCEDRP C=CCN1CCN(C(=O)[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001183373374 844015774 /nfs/dbraw/zinc/01/57/74/844015774.db2.gz YRDPEIIKYVEFLR-BETUJISGSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127088 836141267 /nfs/dbraw/zinc/14/12/67/836141267.db2.gz IJASSCIAKICUGM-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127055 836141614 /nfs/dbraw/zinc/14/16/14/836141614.db2.gz HKZHLFFCCOQCOO-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531757 836332077 /nfs/dbraw/zinc/33/20/77/836332077.db2.gz SUKIKKDVOKYZIY-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800360 836528389 /nfs/dbraw/zinc/52/83/89/836528389.db2.gz BGAHPSSGVQLFRZ-ZNMIVQPWSA-N 2 0 295.427 0.720 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CCC[C@](F)(C[NH3+])CC2)C1 ZINC001157742342 837366370 /nfs/dbraw/zinc/36/63/70/837366370.db2.gz BSGVYSLOKVZWRO-UONOGXRCSA-N 2 0 269.364 0.974 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558515 837855770 /nfs/dbraw/zinc/85/57/70/837855770.db2.gz BJJNBUVTDLXYBT-UHFFFAOYSA-N 2 0 274.368 0.637 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520512 838120366 /nfs/dbraw/zinc/12/03/66/838120366.db2.gz ZYXGBVSOXVKSQK-JVWICGRDSA-N 2 0 279.384 0.132 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886629 838513454 /nfs/dbraw/zinc/51/34/54/838513454.db2.gz PNWGQZFZZVAVGD-KBPBESRZSA-N 2 0 281.400 0.072 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133862605 838754490 /nfs/dbraw/zinc/75/44/90/838754490.db2.gz DPFKCMTWYSLTGK-OLZOCXBDSA-N 2 0 253.390 0.856 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134759179 839065554 /nfs/dbraw/zinc/06/55/54/839065554.db2.gz HDEXJCDMCVTIIH-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758206 839071735 /nfs/dbraw/zinc/07/17/35/839071735.db2.gz ZUPBHJILHKZARH-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780788 839072977 /nfs/dbraw/zinc/07/29/77/839072977.db2.gz WOCLSUAQWUDDPD-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP N#CCc1nc(Cl)cc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170896925 839540412 /nfs/dbraw/zinc/54/04/12/839540412.db2.gz BPKSLWATOXZMIW-QMMMGPOBSA-N 2 0 254.725 0.632 20 30 CCEDRP N#Cc1c(Cl)nc(Cl)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170899131 839544704 /nfs/dbraw/zinc/54/47/04/839544704.db2.gz SBJFZMNEBNHHTH-LURJTMIESA-N 2 0 275.143 0.513 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090538414 839625980 /nfs/dbraw/zinc/62/59/80/839625980.db2.gz QUMHVFPUGWLYNP-HUUCEWRRSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185742429 844456067 /nfs/dbraw/zinc/45/60/67/844456067.db2.gz KWPORIASDCJFNQ-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001090954676 839913751 /nfs/dbraw/zinc/91/37/51/839913751.db2.gz LCFOTCVWYIDDLZ-WXRRBKDZSA-N 2 0 251.374 0.751 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171227563 840154434 /nfs/dbraw/zinc/15/44/34/840154434.db2.gz PYJZOYPHPSLVPT-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO)CC1 ZINC001146610583 840334122 /nfs/dbraw/zinc/33/41/22/840334122.db2.gz KKPBUFJKZWOZMK-KGLIPLIRSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[C@]1(C(=O)N(C)[C@@H]2CCCC[C@@H]2[NH3+])CCC[NH2+]1 ZINC001161065595 840691837 /nfs/dbraw/zinc/69/18/37/840691837.db2.gz YAEQCJOUFBUKEG-GZBFAFLISA-N 2 0 263.385 0.860 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174355 840756086 /nfs/dbraw/zinc/75/60/86/840756086.db2.gz KKMANXLRBPWBJD-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148843352 840896274 /nfs/dbraw/zinc/89/62/74/840896274.db2.gz GKAAIRJVEOGJTK-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCN(C)CC[NH3+] ZINC001172298762 841923045 /nfs/dbraw/zinc/92/30/45/841923045.db2.gz HOCCJBJKVXANFE-ZDUSSCGKSA-N 2 0 260.385 0.969 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160588 842337099 /nfs/dbraw/zinc/33/70/99/842337099.db2.gz JFNIUZPEVLLFGQ-CQSZACIVSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176857228 842451349 /nfs/dbraw/zinc/45/13/49/842451349.db2.gz SYDXOHUEDUYZHR-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C#Cc1ccccn1 ZINC001177807708 842684316 /nfs/dbraw/zinc/68/43/16/842684316.db2.gz XXWVEZNGMOUOFY-UHFFFAOYSA-N 2 0 287.367 0.497 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538895 843018012 /nfs/dbraw/zinc/01/80/12/843018012.db2.gz KHMMYKDJFVQCLT-ILXRZTDVSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001179982682 843089895 /nfs/dbraw/zinc/08/98/95/843089895.db2.gz CORFMIIBEBOYFQ-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)n1ccc(C[NH3+])cc1=N ZINC001183080556 843960327 /nfs/dbraw/zinc/96/03/27/843960327.db2.gz UBBJSYZFEGDUJK-UHFFFAOYSA-N 2 0 260.341 0.718 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CN(CC)CCO1 ZINC001151740263 845004204 /nfs/dbraw/zinc/00/42/04/845004204.db2.gz RFNMCTSVIZGPGV-CYBMUJFWSA-N 2 0 269.389 0.379 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221910 845356712 /nfs/dbraw/zinc/35/67/12/845356712.db2.gz SOHNZKJFRAPTRY-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192386065 845834476 /nfs/dbraw/zinc/83/44/76/845834476.db2.gz NBLZSTWUTLPFPU-KBPBESRZSA-N 2 0 265.401 0.883 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462804 846083590 /nfs/dbraw/zinc/08/35/90/846083590.db2.gz PZSCIZWQALCBHL-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203794814 846303336 /nfs/dbraw/zinc/30/33/36/846303336.db2.gz ZCMQHHBVQMOFBR-KBPBESRZSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195700341 846603926 /nfs/dbraw/zinc/60/39/26/846603926.db2.gz ARQZSSITEOUXIQ-RBSFLKMASA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C/C=C\Cl)CC1 ZINC001152331070 846897713 /nfs/dbraw/zinc/89/77/13/846897713.db2.gz ZOBBMHBHUSUKKD-UTCJRWHESA-N 2 0 283.803 0.790 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200122920 847555087 /nfs/dbraw/zinc/55/50/87/847555087.db2.gz JVBHTPGCSVSISF-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807596 847693606 /nfs/dbraw/zinc/69/36/06/847693606.db2.gz WHQWBZLXOLVCMR-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCCO1 ZINC001200807047 847694631 /nfs/dbraw/zinc/69/46/31/847694631.db2.gz UVFWRZGHZWRGGM-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273881879 847726007 /nfs/dbraw/zinc/72/60/07/847726007.db2.gz SGWMVQZBSMLRQP-CQSZACIVSA-N 2 0 295.427 0.409 20 30 CCEDRP C=C[C@@H](O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273881448 847726395 /nfs/dbraw/zinc/72/63/95/847726395.db2.gz NOUPOSFFUKRXQG-UKRRQHHQSA-N 2 0 281.400 0.162 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800391 847812635 /nfs/dbraw/zinc/81/26/35/847812635.db2.gz JHAVELZMDHZTJV-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059934 847851721 /nfs/dbraw/zinc/85/17/21/847851721.db2.gz SWIQWXJCDVTNQR-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056640 847851916 /nfs/dbraw/zinc/85/19/16/847851916.db2.gz AKIPUSSMNDRINB-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114407550 848050230 /nfs/dbraw/zinc/05/02/30/848050230.db2.gz YYCBLECVDFQWNV-WDNDVIMCSA-N 2 0 275.396 0.540 20 30 CCEDRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CCC#N)C2)C1=O ZINC001274031394 848312030 /nfs/dbraw/zinc/31/20/30/848312030.db2.gz PILHNTOYZHDHEO-AWEZNQCLSA-N 2 0 264.373 0.386 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001274047732 848318896 /nfs/dbraw/zinc/31/88/96/848318896.db2.gz GHFXWDFUWKCJMO-SNAWJCMRSA-N 2 0 286.379 0.657 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001274250578 848431320 /nfs/dbraw/zinc/43/13/20/848431320.db2.gz IQOCXYZHGIJQMJ-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001274985967 848608088 /nfs/dbraw/zinc/60/80/88/848608088.db2.gz ILBJSAOSZGDCLS-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275573957 848765973 /nfs/dbraw/zinc/76/59/73/848765973.db2.gz KXSLHRMJZGDRPW-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001275731222 848803044 /nfs/dbraw/zinc/80/30/44/848803044.db2.gz ZXOKWVYXXBXWKK-CQSZACIVSA-N 2 0 283.416 0.413 20 30 CCEDRP C#CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001275975449 848878224 /nfs/dbraw/zinc/87/82/24/848878224.db2.gz DGVPDDNVRDIMRQ-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1CC#C)C2 ZINC001095556178 848988067 /nfs/dbraw/zinc/98/80/67/848988067.db2.gz BYRLTJHXVPEKED-QZWWFDLISA-N 2 0 299.418 0.829 20 30 CCEDRP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778244 849392082 /nfs/dbraw/zinc/39/20/82/849392082.db2.gz HLHLLDOHLGXJIZ-NHAGDIPZSA-N 2 0 281.400 0.187 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041141578 849537347 /nfs/dbraw/zinc/53/73/47/849537347.db2.gz OOLRCUSCEYIHBI-ZBFHGGJFSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041632461 850478594 /nfs/dbraw/zinc/47/85/94/850478594.db2.gz INGSQBZLCOGWGT-KRWDZBQOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045557179 851277515 /nfs/dbraw/zinc/27/75/15/851277515.db2.gz XGMMPSLQZSYZOS-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045621921 851287639 /nfs/dbraw/zinc/28/76/39/851287639.db2.gz VMXKBKLIUSUVGK-UHFFFAOYSA-N 2 0 275.396 0.686 20 30 CCEDRP C=C(C)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317656134 900743916 /nfs/dbraw/zinc/74/39/16/900743916.db2.gz UPVSONQQRGXHQA-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213413 852193607 /nfs/dbraw/zinc/19/36/07/852193607.db2.gz PGLJVVYHDNPSOG-MCIONIFRSA-N 2 0 263.385 0.514 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215222 852195910 /nfs/dbraw/zinc/19/59/10/852195910.db2.gz OIVXUVASTZADLD-SOUVJXGZSA-N 2 0 275.396 0.352 20 30 CCEDRP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CCC1=O ZINC001254668565 852903900 /nfs/dbraw/zinc/90/39/00/852903900.db2.gz GVTLGSSDCDEPLH-KBPBESRZSA-N 2 0 278.400 0.775 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010668 854905646 /nfs/dbraw/zinc/90/56/46/854905646.db2.gz JWFKXBZQHJFVPD-RDJZCZTQSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099160292 854918598 /nfs/dbraw/zinc/91/85/98/854918598.db2.gz NZASMGGGGKEILA-ZOBUZTSGSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100047832 855084199 /nfs/dbraw/zinc/08/41/99/855084199.db2.gz BMXJCWMLCKQHDU-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100444519 855170031 /nfs/dbraw/zinc/17/00/31/855170031.db2.gz OIRQGUSNSUPXEN-WXRRBKDZSA-N 2 0 253.390 0.997 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985042 855251495 /nfs/dbraw/zinc/25/14/95/855251495.db2.gz ZQESIDNEVXPZEX-UHFFFAOYSA-N 2 0 251.374 0.753 20 30 CCEDRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001118130926 856170342 /nfs/dbraw/zinc/17/03/42/856170342.db2.gz OLZNJABNUSWXHA-AWEZNQCLSA-N 2 0 296.415 0.625 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001324260368 912747726 /nfs/dbraw/zinc/74/77/26/912747726.db2.gz IAXJHDDWFIYPPB-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCOCC1 ZINC001325029275 913160814 /nfs/dbraw/zinc/16/08/14/913160814.db2.gz SOHVGHCMRAAHOH-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001325036549 913163989 /nfs/dbraw/zinc/16/39/89/913163989.db2.gz HHZMGFMQGIJBKT-UHFFFAOYSA-N 2 0 295.427 0.913 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001325466794 913418643 /nfs/dbraw/zinc/41/86/43/913418643.db2.gz OESZESHKCDGTCR-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481507436 892757281 /nfs/dbraw/zinc/75/72/81/892757281.db2.gz YICPHUKFHZRYJT-HUUCEWRRSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481820574 893187835 /nfs/dbraw/zinc/18/78/35/893187835.db2.gz GGXOMMDKZRPLMP-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001483379264 895522210 /nfs/dbraw/zinc/52/22/10/895522210.db2.gz SWJFTAUIYTVRCW-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001483587863 895666148 /nfs/dbraw/zinc/66/61/48/895666148.db2.gz OGCRTUHIYQCWDW-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001326508290 913991464 /nfs/dbraw/zinc/99/14/64/913991464.db2.gz RLCOKDBUFPCSBN-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001483763384 896027594 /nfs/dbraw/zinc/02/75/94/896027594.db2.gz CVHVOKAHYRKWCZ-UHFFFAOYSA-N 2 0 259.781 0.929 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484070916 896182818 /nfs/dbraw/zinc/18/28/18/896182818.db2.gz IYOXVBOPLYADTO-GOEBONIOSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001485161212 896831028 /nfs/dbraw/zinc/83/10/28/896831028.db2.gz AYJSSJGECOTHOT-UONOGXRCSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485195896 896854894 /nfs/dbraw/zinc/85/48/94/896854894.db2.gz BAXYCAOFRDBBKA-OLZOCXBDSA-N 2 0 291.399 0.174 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001326798418 914183739 /nfs/dbraw/zinc/18/37/39/914183739.db2.gz NTGOEFJPEWEINW-AWEZNQCLSA-N 2 0 293.411 0.359 20 30 CCEDRP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486126890 898687233 /nfs/dbraw/zinc/68/72/33/898687233.db2.gz DWWJZXDIMSBAOT-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486288434 898775129 /nfs/dbraw/zinc/77/51/29/898775129.db2.gz RVYFDMMRNRMTHU-AWEZNQCLSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001486336305 898798261 /nfs/dbraw/zinc/79/82/61/898798261.db2.gz HWIJMLOUDXGERQ-GJZGRUSLSA-N 2 0 297.443 0.798 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001486495966 898904370 /nfs/dbraw/zinc/90/43/70/898904370.db2.gz KARMUYGMRZEGKD-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001490679667 900686071 /nfs/dbraw/zinc/68/60/71/900686071.db2.gz YGISMMMRYBXVFT-KGLIPLIRSA-N 2 0 265.401 0.690 20 30 CCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001327568234 914622471 /nfs/dbraw/zinc/62/24/71/914622471.db2.gz CTFNBTUZCHEMMC-HNNXBMFYSA-N 2 0 293.411 0.047 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001327663846 914691003 /nfs/dbraw/zinc/69/10/03/914691003.db2.gz WLSSAKPSNOUWNM-SRVKXCTJSA-N 2 0 252.362 0.641 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001316606055 904152236 /nfs/dbraw/zinc/15/22/36/904152236.db2.gz SQCWPMJDBAKTMM-KBPBESRZSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001281144204 904230174 /nfs/dbraw/zinc/23/01/74/904230174.db2.gz BBBLSXSIRCDDFJ-INIZCTEOSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001281893523 904363419 /nfs/dbraw/zinc/36/34/19/904363419.db2.gz ZBPLVCMSFFYEGQ-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001283102393 904694246 /nfs/dbraw/zinc/69/42/46/904694246.db2.gz NNTURNURRUDDEO-IHRRRGAJSA-N 2 0 265.401 0.999 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001283712594 904968240 /nfs/dbraw/zinc/96/82/40/904968240.db2.gz AOLFJXUUDCSBHR-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001284246140 905218996 /nfs/dbraw/zinc/21/89/96/905218996.db2.gz NQLKZEHWLMGEJW-KGLIPLIRSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001316635934 905488382 /nfs/dbraw/zinc/48/83/82/905488382.db2.gz XMQYDFQUECMGHB-JOCQHMNTSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCOCC)CC1 ZINC001491683769 907500100 /nfs/dbraw/zinc/50/01/00/907500100.db2.gz UCUBSIQJGCRAAU-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001491849763 907604369 /nfs/dbraw/zinc/60/43/69/907604369.db2.gz LQQKGZYBSAVCGU-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001382392795 907709120 /nfs/dbraw/zinc/70/91/20/907709120.db2.gz VTLSXVNQWXJPCT-RYUDHWBXSA-N 2 0 289.807 0.242 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317490514 908497312 /nfs/dbraw/zinc/49/73/12/908497312.db2.gz YDEKXPVVTVISFG-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001316746751 908765463 /nfs/dbraw/zinc/76/54/63/908765463.db2.gz FWNNIXQEPMVRDV-HNNXBMFYSA-N 2 0 293.411 0.001 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317060647 908950774 /nfs/dbraw/zinc/95/07/74/908950774.db2.gz GCOGMDMGVPUQMZ-UONOGXRCSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317067189 908957345 /nfs/dbraw/zinc/95/73/45/908957345.db2.gz QTEMQFNJACQUPX-ZDUSSCGKSA-N 2 0 261.369 0.296 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317305032 909131382 /nfs/dbraw/zinc/13/13/82/909131382.db2.gz YGRXJXIZFMAOAS-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317343488 909151274 /nfs/dbraw/zinc/15/12/74/909151274.db2.gz LLFOXTMACRGBGC-KGLIPLIRSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317518079 909286924 /nfs/dbraw/zinc/28/69/24/909286924.db2.gz VDWXPMFUIXFXHD-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317518081 909287983 /nfs/dbraw/zinc/28/79/83/909287983.db2.gz VDWXPMFUIXFXHD-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001317532531 909300755 /nfs/dbraw/zinc/30/07/55/909300755.db2.gz LNCKBUHVMGASIX-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001317549449 909315554 /nfs/dbraw/zinc/31/55/54/909315554.db2.gz UWNAPVJSXIHKIP-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317830848 909517569 /nfs/dbraw/zinc/51/75/69/909517569.db2.gz KYULLWFZVGUXHG-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)C12CCC[NH+]1CCC2 ZINC001318543454 909807136 /nfs/dbraw/zinc/80/71/36/909807136.db2.gz VRILLTNYLLSHCT-CYBMUJFWSA-N 2 0 263.385 0.732 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001318570754 909818413 /nfs/dbraw/zinc/81/84/13/909818413.db2.gz QMQWKRHZCOTHQC-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001319119885 909995061 /nfs/dbraw/zinc/99/50/61/909995061.db2.gz WIJZCLYDCWPLAI-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319167344 910015341 /nfs/dbraw/zinc/01/53/41/910015341.db2.gz KUBHFVUYJMNMFK-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001319479067 910173986 /nfs/dbraw/zinc/17/39/86/910173986.db2.gz XKNIJXQGEGAOQE-QWHCGFSZSA-N 2 0 253.390 0.786 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001319524191 910188273 /nfs/dbraw/zinc/18/82/73/910188273.db2.gz UUBBCSWJNFLIRG-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319560029 910205829 /nfs/dbraw/zinc/20/58/29/910205829.db2.gz JODHGYSEDVCEBE-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001319774987 910291103 /nfs/dbraw/zinc/29/11/03/910291103.db2.gz QPYWAOUXSZBQMR-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001321137551 911110984 /nfs/dbraw/zinc/11/09/84/911110984.db2.gz TXIMDGRYEHANDI-ONEGZZNKSA-N 2 0 261.369 0.510 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#CCOC ZINC001321692678 911448325 /nfs/dbraw/zinc/44/83/25/911448325.db2.gz FGLQSZVODPCLMB-CYBMUJFWSA-N 2 0 269.389 0.072 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001322999239 912063198 /nfs/dbraw/zinc/06/31/98/912063198.db2.gz HCSBVWFNUSQRRT-HZPDHXFCSA-N 2 0 289.423 0.836 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001328219452 915035696 /nfs/dbraw/zinc/03/56/96/915035696.db2.gz FLWBAUGUURGCFA-SDDRHHMPSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001328859737 915479089 /nfs/dbraw/zinc/47/90/89/915479089.db2.gz XNYAUANYABTFKY-BLYZHGLHSA-N 2 0 263.385 0.444 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001328875686 915492426 /nfs/dbraw/zinc/49/24/26/915492426.db2.gz JFPAQTBTWMZQHG-WXRRBKDZSA-N 2 0 253.390 0.997 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401575820 916339073 /nfs/dbraw/zinc/33/90/73/916339073.db2.gz GJHGMBAHBNFEKB-NEPJUHHUSA-N 2 0 289.807 0.147 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001332156180 917914070 /nfs/dbraw/zinc/91/40/70/917914070.db2.gz IPZXZSUNNGBQJZ-NWDGAFQWSA-N 2 0 252.362 0.466 20 30 CCEDRP COCC#CC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001332413965 918138811 /nfs/dbraw/zinc/13/88/11/918138811.db2.gz SCBUIQBHFLOEKL-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(C)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001332631237 918335032 /nfs/dbraw/zinc/33/50/32/918335032.db2.gz GAKXYFLAUBZDJW-QLFBSQMISA-N 2 0 297.443 0.654 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[C@@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC001340527558 922111682 /nfs/dbraw/zinc/11/16/82/922111682.db2.gz PSQQKRZTFWSXKQ-TZMCWYRMSA-N 2 0 283.441 0.896 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC001340931539 922284299 /nfs/dbraw/zinc/28/42/99/922284299.db2.gz RSSNVUHOQAVFJS-CQSZACIVSA-N 2 0 257.337 0.212 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001341734307 922648306 /nfs/dbraw/zinc/64/83/06/922648306.db2.gz VTMQTAUJNYGTOS-KBPBESRZSA-N 2 0 282.432 0.422 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001342325939 922915452 /nfs/dbraw/zinc/91/54/52/922915452.db2.gz HPYJLFKZRQJAHK-LPEHRKFASA-N 2 0 257.765 0.842 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001342340173 922917285 /nfs/dbraw/zinc/91/72/85/922917285.db2.gz SXCLTCJRKLOBSQ-UONOGXRCSA-N 2 0 295.427 0.945 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342432882 922957212 /nfs/dbraw/zinc/95/72/12/922957212.db2.gz YPCGUGAATHUSAR-KBPBESRZSA-N 2 0 295.427 0.945 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342432883 922960313 /nfs/dbraw/zinc/96/03/13/922960313.db2.gz YPCGUGAATHUSAR-KGLIPLIRSA-N 2 0 295.427 0.945 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342840412 923108894 /nfs/dbraw/zinc/10/88/94/923108894.db2.gz NQNJZHZMOBVXOG-MRXNPFEDSA-N 2 0 275.396 0.734 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH+](CC)CC1 ZINC001343451185 923321983 /nfs/dbraw/zinc/32/19/83/923321983.db2.gz AOSRRFCJCXJFFZ-CQSZACIVSA-N 2 0 282.432 0.424 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C[N@H+](C)CCN1C ZINC001346229651 924121066 /nfs/dbraw/zinc/12/10/66/924121066.db2.gz VPJQHWIGFDVNNK-BFHYXJOUSA-N 2 0 295.431 0.148 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C[N@H+](C)CCN1C ZINC001346229653 924121488 /nfs/dbraw/zinc/12/14/88/924121488.db2.gz VPJQHWIGFDVNNK-MELADBBJSA-N 2 0 295.431 0.148 20 30 CCEDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001353289086 925786255 /nfs/dbraw/zinc/78/62/55/925786255.db2.gz WAVDZRDDYOLNBE-CHWSQXEVSA-N 2 0 251.374 0.973 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[N@@H+](C)CC(C)C ZINC001353331787 925800739 /nfs/dbraw/zinc/80/07/39/925800739.db2.gz ZILGTADAEPBXCI-UHFFFAOYSA-N 2 0 253.390 0.693 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH+](C)C[C@@H]12 ZINC001353632591 925891682 /nfs/dbraw/zinc/89/16/82/925891682.db2.gz CZOBCVCFHFJPCV-RBSFLKMASA-N 2 0 292.427 0.581 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC001353698056 925908163 /nfs/dbraw/zinc/90/81/63/925908163.db2.gz BZZQDEDEHZQNNF-UHFFFAOYSA-N 2 0 286.379 0.385 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001354668737 926150353 /nfs/dbraw/zinc/15/03/53/926150353.db2.gz XOVZHWYOVLTAJJ-UHFFFAOYSA-N 2 0 292.387 0.131 20 30 CCEDRP C#CC[NH2+]CC(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001355709358 926306774 /nfs/dbraw/zinc/30/67/74/926306774.db2.gz TWDIIKAPJYCSNL-BFHYXJOUSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1(COC)CC[NH2+]CC1 ZINC001357465038 926538652 /nfs/dbraw/zinc/53/86/52/926538652.db2.gz VJJZZMGDGLNABW-ZDUSSCGKSA-N 2 0 283.416 0.802 20 30 CCEDRP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCC#N ZINC000519535840 265459229 /nfs/dbraw/zinc/45/92/29/265459229.db2.gz AHOSNIZCYZSYSH-GFCCVEGCSA-N 2 0 254.378 0.808 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](CCCOC)CC1 ZINC000491429845 358294712 /nfs/dbraw/zinc/29/47/12/358294712.db2.gz WDNQWACRLPTGAS-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573438762 358966798 /nfs/dbraw/zinc/96/67/98/358966798.db2.gz LACFIUBXICGRKC-DKUMPPAJSA-N 2 0 280.416 0.408 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000573123633 358940661 /nfs/dbraw/zinc/94/06/61/358940661.db2.gz LQOCYUQYHYGERC-NWDGAFQWSA-N 2 0 252.362 0.466 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[NH2+]C1 ZINC000594425553 360299732 /nfs/dbraw/zinc/29/97/32/360299732.db2.gz KXDXXMMJWLNKBL-YNEHKIRRSA-N 2 0 266.389 0.902 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCC1 ZINC000594424590 360299804 /nfs/dbraw/zinc/29/98/04/360299804.db2.gz GKPGSUIALBMAIJ-LLVKDONJSA-N 2 0 252.362 0.785 20 30 CCEDRP CN(CCC[NH2+]Cc1nc(C#N)cs1)CC[NH+](C)C ZINC000598918715 361531733 /nfs/dbraw/zinc/53/17/33/361531733.db2.gz WWEPBCBQYJXLGW-UHFFFAOYSA-N 2 0 281.429 0.988 20 30 CCEDRP C=CCNC(=O)NC(=O)CN(C)CC[C@H]([NH3+])C(C)C ZINC000123696096 389157169 /nfs/dbraw/zinc/15/71/69/389157169.db2.gz BANAQFKBDNLLBO-NSHDSACASA-N 2 0 270.377 0.303 20 30 CCEDRP C[C@H](C#N)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000345763386 389314288 /nfs/dbraw/zinc/31/42/88/389314288.db2.gz JJTMAXVJRSYUHP-CYBMUJFWSA-N 2 0 268.405 0.878 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c[nH]nc1C ZINC000262009360 389279556 /nfs/dbraw/zinc/27/95/56/389279556.db2.gz SQOILWBUKKWMJU-GFCCVEGCSA-N 2 0 264.377 0.607 20 30 CCEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)NC[C@](C)(O)c1ccco1 ZINC000262495266 389287357 /nfs/dbraw/zinc/28/73/57/389287357.db2.gz ZZGRAAYCXHJXEK-DOMZBBRYSA-N 2 0 294.399 0.604 20 30 CCEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)N1 ZINC000262624991 389290547 /nfs/dbraw/zinc/29/05/47/389290547.db2.gz DGALIJBJYOEYKK-SWLSCSKDSA-N 2 0 288.395 0.691 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000153556382 389303287 /nfs/dbraw/zinc/30/32/87/389303287.db2.gz ZYPUDXCXEVOMPR-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP CCNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264123802 389307701 /nfs/dbraw/zinc/30/77/01/389307701.db2.gz VSXQRMRNDUFULC-UHFFFAOYSA-N 3 0 290.415 0.518 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccn(C)c1 ZINC000267354776 389369925 /nfs/dbraw/zinc/36/99/25/389369925.db2.gz VMGRDCWBECMVMG-CYBMUJFWSA-N 2 0 263.389 0.914 20 30 CCEDRP COCC[N@H+](C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000170905607 389467252 /nfs/dbraw/zinc/46/72/52/389467252.db2.gz BALXZSTXCZEJKP-UHFFFAOYSA-N 2 0 265.361 0.777 20 30 CCEDRP CN(C)C(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180454750 389670715 /nfs/dbraw/zinc/67/07/15/389670715.db2.gz AWPDBJFFDKYFPH-AWEZNQCLSA-N 2 0 276.384 0.630 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000491385852 390112698 /nfs/dbraw/zinc/11/26/98/390112698.db2.gz SNHFKGHYDHUNRG-KGLIPLIRSA-N 2 0 280.416 0.853 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000491682581 390116017 /nfs/dbraw/zinc/11/60/17/390116017.db2.gz SPPVXKXHNGYDBZ-INIZCTEOSA-N 2 0 292.427 0.679 20 30 CCEDRP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000562442885 390489953 /nfs/dbraw/zinc/48/99/53/390489953.db2.gz AGXYZNYHPUDSSA-CYBMUJFWSA-N 2 0 289.383 0.972 20 30 CCEDRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000563955286 390494441 /nfs/dbraw/zinc/49/44/41/390494441.db2.gz WGCAJDHIWXJFCC-OLZOCXBDSA-N 2 0 266.389 0.854 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352779 412035373 /nfs/dbraw/zinc/03/53/73/412035373.db2.gz WGKMMKXMLCGWSD-YDHLFZDLSA-N 2 0 263.385 0.834 20 30 CCEDRP C[C@@H](O)[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661764201 414672193 /nfs/dbraw/zinc/67/21/93/414672193.db2.gz AXJVEUQISIJSLM-KLHDSHLOSA-N 2 0 280.412 0.680 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CCC[NH2+]1 ZINC000662906366 414885570 /nfs/dbraw/zinc/88/55/70/414885570.db2.gz IYAQAVZOVJKUHJ-HOCLYGCPSA-N 2 0 292.427 0.191 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC1CC[NH+](CC)CC1 ZINC000491774420 262028467 /nfs/dbraw/zinc/02/84/67/262028467.db2.gz WEYSOPFUFFXZRP-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000424074194 330220406 /nfs/dbraw/zinc/22/04/06/330220406.db2.gz GRRWBNLFNYBDDB-SRVKXCTJSA-N 2 0 252.362 0.641 20 30 CCEDRP C=CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000178962454 329202859 /nfs/dbraw/zinc/20/28/59/329202859.db2.gz HSGJGHFYTLTQBD-CYBMUJFWSA-N 2 0 272.414 0.661 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262544951 330020677 /nfs/dbraw/zinc/02/06/77/330020677.db2.gz UTRIGDVZMWJGNX-OCCSQVGLSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000262790250 330031595 /nfs/dbraw/zinc/03/15/95/330031595.db2.gz NYEDZASSGMUXPK-GXTWGEPZSA-N 2 0 268.405 0.944 20 30 CCEDRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424070209 330220109 /nfs/dbraw/zinc/22/01/09/330220109.db2.gz ABGGGNUCMIQQMF-VXGBXAGGSA-N 2 0 254.378 0.839 20 30 CCEDRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCC1 ZINC000424137758 330274834 /nfs/dbraw/zinc/27/48/34/330274834.db2.gz PEYLAICIKAUXRY-GFCCVEGCSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424138348 330276526 /nfs/dbraw/zinc/27/65/26/330276526.db2.gz UEZOVYOZJNEXOC-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447436418 330866756 /nfs/dbraw/zinc/86/67/56/330866756.db2.gz WMGFSFLBOKWECQ-GFCCVEGCSA-N 2 0 255.362 0.117 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000490575164 332092979 /nfs/dbraw/zinc/09/29/79/332092979.db2.gz MRXMFGKNAUWZIA-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000491485271 332220205 /nfs/dbraw/zinc/22/02/05/332220205.db2.gz NSHKYYUYBQELTP-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000491675109 332280849 /nfs/dbraw/zinc/28/08/49/332280849.db2.gz LNTFKBRCEJWYND-UHFFFAOYSA-N 2 0 266.389 0.383 20 30 CCEDRP C#CC[N@H+](C)CCCNc1ncnc(-n2cccn2)c1N ZINC000491702315 332296358 /nfs/dbraw/zinc/29/63/58/332296358.db2.gz VSDXZIYNPLUONG-UHFFFAOYSA-N 2 0 285.355 0.612 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000491809196 332361942 /nfs/dbraw/zinc/36/19/42/332361942.db2.gz XJYCBMUOCSDJKG-STQMWFEESA-N 2 0 266.389 0.239 20 30 CCEDRP CN(C)C1(C[NH2+]C[C@H](O)CN(C)CCC#N)CCCC1 ZINC000576028924 335143193 /nfs/dbraw/zinc/14/31/93/335143193.db2.gz DUXQCDDLGXILSK-AWEZNQCLSA-N 2 0 282.432 0.657 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCC[C@H]2C)CC1 ZINC000742238143 581775440 /nfs/dbraw/zinc/77/54/40/581775440.db2.gz VJUALMBXAYJOAK-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000105965065 612956329 /nfs/dbraw/zinc/95/63/29/612956329.db2.gz TZMAEBHOJQOFBF-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971561669 613092067 /nfs/dbraw/zinc/09/20/67/613092067.db2.gz ZWKSEWMOWYTKPU-HZSPNIEDSA-N 2 0 263.385 0.493 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000876952214 613390241 /nfs/dbraw/zinc/39/02/41/613390241.db2.gz LJGJICNBQHFLCX-AXFHLTTASA-N 2 0 259.781 0.913 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000968850528 612963607 /nfs/dbraw/zinc/96/36/07/612963607.db2.gz BVIQVQJHGDGJKN-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP CC(C)(CC[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867980862 614083681 /nfs/dbraw/zinc/08/36/81/614083681.db2.gz ZYJIPHXNWFJZHV-CQSZACIVSA-N 2 0 286.379 0.989 20 30 CCEDRP CC(C)[C@@](C)(C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852798526 614181280 /nfs/dbraw/zinc/18/12/80/614181280.db2.gz KWDOATBHEFDQEX-CQSZACIVSA-N 2 0 251.374 0.479 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969051413 612960221 /nfs/dbraw/zinc/96/02/21/612960221.db2.gz IRCXGQPLDPCZEP-CQSZACIVSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461905 612971850 /nfs/dbraw/zinc/97/18/50/612971850.db2.gz NOCAGINDLXYODO-UONOGXRCSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CCOCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879127349 612982003 /nfs/dbraw/zinc/98/20/03/612982003.db2.gz WAXMQNKKZOICLD-UHFFFAOYSA-N 2 0 268.401 0.926 20 30 CCEDRP C#CCOCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000851836559 612982226 /nfs/dbraw/zinc/98/22/26/612982226.db2.gz NPMJDKYZOOSBGI-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962138743 613042729 /nfs/dbraw/zinc/04/27/29/613042729.db2.gz FSQKTDDHVXVRRI-QLPKVWCKSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962296904 613042901 /nfs/dbraw/zinc/04/29/01/613042901.db2.gz JQJWCZBMKNDPCB-WDNDVIMCSA-N 2 0 273.380 0.152 20 30 CCEDRP C#CC[C@H](CO)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000883125914 613058858 /nfs/dbraw/zinc/05/88/58/613058858.db2.gz YWBWMPZODBSUNS-GFCCVEGCSA-N 2 0 256.309 0.741 20 30 CCEDRP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000886573551 613065118 /nfs/dbraw/zinc/06/51/18/613065118.db2.gz NAARLAYHIGCZQO-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891920857 613073545 /nfs/dbraw/zinc/07/35/45/613073545.db2.gz FVVURKPYFNDIAU-UHFFFAOYSA-N 2 0 278.400 0.607 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891921780 613073739 /nfs/dbraw/zinc/07/37/39/613073739.db2.gz VURUYPZVXWLILU-KBPBESRZSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000895057949 613074344 /nfs/dbraw/zinc/07/43/44/613074344.db2.gz XQZKAGMQRXSHEL-CABCVRRESA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841911132 613075355 /nfs/dbraw/zinc/07/53/55/613075355.db2.gz YSMBCNXTSOBLNU-ZDUSSCGKSA-N 2 0 266.389 0.383 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000972177149 613083866 /nfs/dbraw/zinc/08/38/66/613083866.db2.gz OHYPLAMWUVKOMB-SOUVJXGZSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000892787293 613131865 /nfs/dbraw/zinc/13/18/65/613131865.db2.gz ZQVFCNSNNFKDKU-QGZVFWFLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000928656696 613132787 /nfs/dbraw/zinc/13/27/87/613132787.db2.gz BTAVTBNFPDYBLJ-UHFFFAOYSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000928655856 613136128 /nfs/dbraw/zinc/13/61/28/613136128.db2.gz AYOWOPSPZMBERU-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978182404 613309487 /nfs/dbraw/zinc/30/94/87/613309487.db2.gz SDLWNCSWMXSKAE-RFBLXINOSA-N 2 0 289.423 0.644 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849000298 613346445 /nfs/dbraw/zinc/34/64/45/613346445.db2.gz QOPJKOLCSOSFQE-LBPRGKRZSA-N 2 0 281.404 0.264 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000900015136 613365070 /nfs/dbraw/zinc/36/50/70/613365070.db2.gz SYFYILGLJAGKQM-HNNXBMFYSA-N 2 0 297.443 0.967 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429672 613366213 /nfs/dbraw/zinc/36/62/13/613366213.db2.gz IKLIWMRYZITDHF-CQSZACIVSA-N 2 0 283.416 0.673 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927698666 613366628 /nfs/dbraw/zinc/36/66/28/613366628.db2.gz AIHMQTHZRQRPLX-UHFFFAOYSA-N 2 0 262.357 0.882 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884364343 613423006 /nfs/dbraw/zinc/42/30/06/613423006.db2.gz QFMHPHPXPRYVCJ-COPLHBTASA-N 2 0 251.374 0.927 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957649611 613506256 /nfs/dbraw/zinc/50/62/56/613506256.db2.gz POWUCAPZMZBLKH-CYBMUJFWSA-N 2 0 251.374 0.658 20 30 CCEDRP CC#CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000870666905 613520151 /nfs/dbraw/zinc/52/01/51/613520151.db2.gz MQXBNNSRVKEOCZ-UHFFFAOYSA-N 2 0 258.325 0.795 20 30 CCEDRP C=CCCOCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023252 613572270 /nfs/dbraw/zinc/57/22/70/613572270.db2.gz QOJSTISNSVQYCO-HUUCEWRRSA-N 2 0 297.443 0.777 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429596 613586672 /nfs/dbraw/zinc/58/66/72/613586672.db2.gz YTZMZQSFAGBICE-JLNYLFASSA-N 2 0 282.384 0.526 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923486125 613851811 /nfs/dbraw/zinc/85/18/11/613851811.db2.gz NLOMPSABIANNFB-QWRGUYRKSA-N 2 0 268.361 0.057 20 30 CCEDRP CC(C)([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876538653 614162691 /nfs/dbraw/zinc/16/26/91/614162691.db2.gz LOLCYWQXXBVCKI-CYBMUJFWSA-N 2 0 272.352 0.599 20 30 CCEDRP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852827692 614214874 /nfs/dbraw/zinc/21/48/74/614214874.db2.gz NLAHSUDPZGVMLM-TUAOUCFPSA-N 2 0 252.362 0.225 20 30 CCEDRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500005 614237944 /nfs/dbraw/zinc/23/79/44/614237944.db2.gz PRGFXFPHBWCJKW-BNOWGMLFSA-N 2 0 294.399 0.007 20 30 CCEDRP CCCN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[NH2+]C1 ZINC000884026727 614498901 /nfs/dbraw/zinc/49/89/01/614498901.db2.gz KJFYHUUWLSZQFZ-MYMJJRTCSA-N 2 0 290.411 0.726 20 30 CCEDRP CCCNC(=[NH2+])NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000104159703 614587474 /nfs/dbraw/zinc/58/74/74/614587474.db2.gz SUNQYWGXHCNIPD-TXEJJXNPSA-N 2 0 256.394 0.800 20 30 CCEDRP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccccc1 ZINC000834493601 614904219 /nfs/dbraw/zinc/90/42/19/614904219.db2.gz FTFHBGIYHAJBKC-ILXRZTDVSA-N 2 0 286.379 0.907 20 30 CCEDRP CC[NH+]1CCN(CC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000104168481 615158324 /nfs/dbraw/zinc/15/83/24/615158324.db2.gz QARYKGQTWRDCMY-UHFFFAOYSA-N 2 0 255.410 0.103 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000114053925 615456822 /nfs/dbraw/zinc/45/68/22/615456822.db2.gz NTOCUXPSUZNIDZ-LLVKDONJSA-N 2 0 256.394 0.800 20 30 CCEDRP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CC[NH2+]C1 ZINC000867963772 615868397 /nfs/dbraw/zinc/86/83/97/615868397.db2.gz QRTPXFPKFANEGI-UKRRQHHQSA-N 2 0 284.363 0.565 20 30 CCEDRP C[NH+](C)CC1(O)CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000931479647 615872459 /nfs/dbraw/zinc/87/24/59/615872459.db2.gz XJQQJVGMJRBCSW-AWEZNQCLSA-N 2 0 295.427 0.820 20 30 CCEDRP CN(CCC[NH+]=C(N(C)C)N(C)C)CC[NH+](C)C ZINC000849028370 615893037 /nfs/dbraw/zinc/89/30/37/615893037.db2.gz TWGBDZOTXVZTQX-UHFFFAOYSA-N 2 0 257.426 0.349 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCCC#N)C[C@H]1C[NH+](C)C ZINC000875539818 615928991 /nfs/dbraw/zinc/92/89/91/615928991.db2.gz GGNBBVCGQQDOAL-CHWSQXEVSA-N 2 0 281.404 0.281 20 30 CCEDRP CN(CC(C)(C)C[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884041508 616051069 /nfs/dbraw/zinc/05/10/69/616051069.db2.gz ZYVSESNEOTYSEA-MQYJIDSJSA-N 2 0 278.400 0.569 20 30 CCEDRP C[N@@H+](CCc1cccc(C#N)c1)CCN1CC[NH2+]CC1 ZINC000866697979 616124896 /nfs/dbraw/zinc/12/48/96/616124896.db2.gz JSLABBYLFAORHS-UHFFFAOYSA-N 2 0 272.396 0.938 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001023275667 622976101 /nfs/dbraw/zinc/97/61/01/622976101.db2.gz QNGUJRZHEJRSEJ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023290697 622983605 /nfs/dbraw/zinc/98/36/05/622983605.db2.gz AGFROWWCGIUNLE-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001023423998 623026246 /nfs/dbraw/zinc/02/62/46/623026246.db2.gz LIVBGYLDBLDJRL-CABCVRRESA-N 2 0 295.402 0.882 20 30 CCEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365534 623301517 /nfs/dbraw/zinc/30/15/17/623301517.db2.gz CEDZGAUZRUAFBO-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001024808182 623448988 /nfs/dbraw/zinc/44/89/88/623448988.db2.gz DOKWLYAARLGVPT-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006920306 623493419 /nfs/dbraw/zinc/49/34/19/623493419.db2.gz YCLYJOLLZGHXIY-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001020507170 624499169 /nfs/dbraw/zinc/49/91/69/624499169.db2.gz LXLVRZSAOOGXNJ-RBSFLKMASA-N 2 0 295.427 0.909 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCF)C1 ZINC001027446593 625887632 /nfs/dbraw/zinc/88/76/32/625887632.db2.gz OTKQVEKSLXGOFI-GJZGRUSLSA-N 2 0 295.402 0.976 20 30 CCEDRP C[C@H](C[NH+]=C(N(C)C)N(C)C)N1CC[NH+](C)CC1 ZINC000104182692 630848227 /nfs/dbraw/zinc/84/82/27/630848227.db2.gz FDBOTGIFILPWIK-GFCCVEGCSA-N 2 0 255.410 0.102 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996301450 638814859 /nfs/dbraw/zinc/81/48/59/638814859.db2.gz SYCPLYHPMHGFAO-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000996994356 638847644 /nfs/dbraw/zinc/84/76/44/638847644.db2.gz HMHBTQJHIJPMNO-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997114718 638853616 /nfs/dbraw/zinc/85/36/16/638853616.db2.gz GFNNOZYWNFSIFL-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437948 638981476 /nfs/dbraw/zinc/98/14/76/638981476.db2.gz ZVRRGLVZLVNETE-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCF)C2)CC1 ZINC000999869783 639012445 /nfs/dbraw/zinc/01/24/45/639012445.db2.gz GWNXVTRJWMDAQG-UHFFFAOYSA-N 2 0 295.402 0.880 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000183688 639049484 /nfs/dbraw/zinc/04/94/84/639049484.db2.gz KORFYUGKRKIUSN-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002128466 639369341 /nfs/dbraw/zinc/36/93/41/639369341.db2.gz XWFJPEPMEWQLTC-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000834484947 642576390 /nfs/dbraw/zinc/57/63/90/642576390.db2.gz PTMKJTHGTFAUFZ-QWHCGFSZSA-N 2 0 256.309 0.131 20 30 CCEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[C@H]([NH3+])c1ccccc1 ZINC000841850135 642843409 /nfs/dbraw/zinc/84/34/09/642843409.db2.gz ZCINVSDZDLCRQR-ASEORRQLSA-N 2 0 272.352 0.550 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852880195 644039303 /nfs/dbraw/zinc/03/93/03/644039303.db2.gz KASSKPSPEIMQKJ-JMSVASOKSA-N 2 0 263.385 0.492 20 30 CCEDRP C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000852911770 644055719 /nfs/dbraw/zinc/05/57/19/644055719.db2.gz CXNBMOOCZFPTFI-OCCSQVGLSA-N 2 0 263.385 0.575 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168458 650943686 /nfs/dbraw/zinc/94/36/86/650943686.db2.gz DJQLVQUGJHUGDU-IOSBVQAASA-N 2 0 291.395 0.226 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)[NH2+]1 ZINC000867966047 645691818 /nfs/dbraw/zinc/69/18/18/645691818.db2.gz LXJCKTWEQZVEDC-OZVIIMIRSA-N 2 0 298.390 0.954 20 30 CCEDRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867980008 645696551 /nfs/dbraw/zinc/69/65/51/645696551.db2.gz NVRPRFVCXUIXTJ-NZVBXONLSA-N 2 0 284.363 0.693 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161755 651045250 /nfs/dbraw/zinc/04/52/50/651045250.db2.gz NRAPNOFWADMQBQ-IHRRRGAJSA-N 2 0 263.385 0.751 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876801824 646668968 /nfs/dbraw/zinc/66/89/68/646668968.db2.gz JILDNGCRHXSZEZ-XHSDSOJGSA-N 2 0 298.390 0.736 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877264884 646772378 /nfs/dbraw/zinc/77/23/78/646772378.db2.gz BLABTCQLCQYVNW-GJZGRUSLSA-N 2 0 275.396 0.590 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@@H]1CC[NH3+])C2 ZINC000884286333 647695818 /nfs/dbraw/zinc/69/58/18/647695818.db2.gz BRJBLJOPEKAGPU-IOSBVQAASA-N 2 0 290.411 0.856 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303772556 649824445 /nfs/dbraw/zinc/82/44/45/649824445.db2.gz DRXOJDRAMQCGFB-CQSZACIVSA-N 2 0 283.464 0.963 20 30 CCEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000303785406 649825160 /nfs/dbraw/zinc/82/51/60/649825160.db2.gz QHEBVCARJNDZRY-CYBMUJFWSA-N 2 0 268.405 0.754 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000303896414 649826544 /nfs/dbraw/zinc/82/65/44/649826544.db2.gz PZWIALYHQRVHOZ-CYBMUJFWSA-N 2 0 267.421 0.493 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303982541 649827754 /nfs/dbraw/zinc/82/77/54/649827754.db2.gz QHAUFORZVSCUES-UHFFFAOYSA-N 2 0 269.437 0.671 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000304742164 649837637 /nfs/dbraw/zinc/83/76/37/649837637.db2.gz ULYRLDDNOBWQDA-AWEZNQCLSA-N 2 0 297.447 0.096 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304753271 649838322 /nfs/dbraw/zinc/83/83/22/649838322.db2.gz KYCYLHWVOZZSHK-LLVKDONJSA-N 2 0 272.393 0.036 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H](C)COC ZINC000304853766 649840006 /nfs/dbraw/zinc/84/00/06/649840006.db2.gz ZSUBPIDTERJXLL-RYUDHWBXSA-N 2 0 274.409 0.282 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266323176 790504853 /nfs/dbraw/zinc/50/48/53/790504853.db2.gz WGDYODQAOFLVFT-KBPBESRZSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001266533791 790885615 /nfs/dbraw/zinc/88/56/15/790885615.db2.gz QPYBNPJAXVAMSU-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266614509 791035191 /nfs/dbraw/zinc/03/51/91/791035191.db2.gz HSXUGIGLSSABND-HDJSIYSDSA-N 2 0 293.411 0.215 20 30 CCEDRP C=CC[N@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001277535241 805815300 /nfs/dbraw/zinc/81/53/00/805815300.db2.gz BETAXJKZUXBFOC-UHFFFAOYSA-N 2 0 281.400 0.333 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001266815163 791258653 /nfs/dbraw/zinc/25/86/53/791258653.db2.gz KADPJMCANCJHNI-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267242813 793233968 /nfs/dbraw/zinc/23/39/68/793233968.db2.gz ZNMXIIGCLFKMNN-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267256056 793253707 /nfs/dbraw/zinc/25/37/07/793253707.db2.gz WYPDCVACNQIQQD-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301600 799192510 /nfs/dbraw/zinc/19/25/10/799192510.db2.gz IALABVZEKNNWEN-UONOGXRCSA-N 2 0 261.369 0.057 20 30 CCEDRP CN(CC1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001122563793 799263501 /nfs/dbraw/zinc/26/35/01/799263501.db2.gz GDROCQYTIVQMJE-LBPRGKRZSA-N 2 0 252.362 0.466 20 30 CCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001151049234 800389765 /nfs/dbraw/zinc/38/97/65/800389765.db2.gz KRAPXTVBCYHNTM-INIZCTEOSA-N 2 0 285.391 0.696 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152149267 800495492 /nfs/dbraw/zinc/49/54/92/800495492.db2.gz WFGMMITYPVKANF-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374983 801158544 /nfs/dbraw/zinc/15/85/44/801158544.db2.gz ZXEXMKSQABKGIU-CQSZACIVSA-N 2 0 285.432 0.967 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156891162 801257027 /nfs/dbraw/zinc/25/70/27/801257027.db2.gz XCXVZGOAUGFSHC-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP N#Cc1cc2c(nc1NC(=[NH2+])NCCCC[NH3+])CCOC2 ZINC001157101807 801301694 /nfs/dbraw/zinc/30/16/94/801301694.db2.gz OWXIUSICVYIOJD-UHFFFAOYSA-N 2 0 288.355 0.701 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157536245 801408832 /nfs/dbraw/zinc/40/88/32/801408832.db2.gz JMNINFWKQXNYBX-WOPDTQHZSA-N 2 0 257.353 0.958 20 30 CCEDRP CC1([NH3+])CN(C(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)C1 ZINC001157644001 801444123 /nfs/dbraw/zinc/44/41/23/801444123.db2.gz LUUBEGTYXZLDAQ-GFCCVEGCSA-N 2 0 258.325 0.508 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380376 801628780 /nfs/dbraw/zinc/62/87/80/801628780.db2.gz RKLAWZCIPRBXMP-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP N#Cc1c(N[C@H]([NH3+])CCC[NH3+])ncc2c1CCC[NH2+]C2 ZINC001159780017 801868436 /nfs/dbraw/zinc/86/84/36/801868436.db2.gz NQPKVTSLPWBPQC-ZDUSSCGKSA-N 3 0 274.372 0.425 20 30 CCEDRP Cc1nc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1C#N ZINC001159784869 801869820 /nfs/dbraw/zinc/86/98/20/801869820.db2.gz LGGZWZQFPLMWPC-MRVPVSSYSA-N 2 0 254.725 0.168 20 30 CCEDRP N#C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160636528 801984084 /nfs/dbraw/zinc/98/40/84/801984084.db2.gz HYIUDPHXYZBRLY-NEPJUHHUSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162611831 802378825 /nfs/dbraw/zinc/37/88/25/802378825.db2.gz QWJSSKRWTGFHGX-UHFFFAOYSA-N 2 0 256.309 0.677 20 30 CCEDRP C=CC[NH2+]CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001206683804 803279167 /nfs/dbraw/zinc/27/91/67/803279167.db2.gz NRYZIMJUCJPAGE-UHFFFAOYSA-N 2 0 262.357 0.966 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206872795 803294770 /nfs/dbraw/zinc/29/47/70/803294770.db2.gz UASPEHGVFIHPTO-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875071 803297295 /nfs/dbraw/zinc/29/72/95/803297295.db2.gz UTVZSLAKTGJXPG-UHFFFAOYSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209668860 803621933 /nfs/dbraw/zinc/62/19/33/803621933.db2.gz IXYMZLURAGOYDC-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210221274 803642525 /nfs/dbraw/zinc/64/25/25/803642525.db2.gz YXIQJTXKWMIZKO-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001210483015 803651532 /nfs/dbraw/zinc/65/15/32/803651532.db2.gz UIHHIFQOJRJMBX-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674062 803656660 /nfs/dbraw/zinc/65/66/60/803656660.db2.gz MNKIKPDPNQAFFJ-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674059 803657322 /nfs/dbraw/zinc/65/73/22/803657322.db2.gz MNKIKPDPNQAFFJ-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369691 803678826 /nfs/dbraw/zinc/67/88/26/803678826.db2.gz NQHPXNQBXFEJFC-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218625323 804043066 /nfs/dbraw/zinc/04/30/66/804043066.db2.gz XKMRJFMXRAXGJX-NSHDSACASA-N 2 0 264.354 0.885 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)o1 ZINC001218649881 804060584 /nfs/dbraw/zinc/06/05/84/804060584.db2.gz MCVQRVABWBLFDV-JTQLQIEISA-N 2 0 279.344 0.852 20 30 CCEDRP N#Cc1n[nH]cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218655714 804067211 /nfs/dbraw/zinc/06/72/11/804067211.db2.gz IEXRPGGCAPDYOG-QMMMGPOBSA-N 2 0 250.306 0.066 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819988 804133158 /nfs/dbraw/zinc/13/31/58/804133158.db2.gz ULQQOESDXCSEEM-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1C#N ZINC001218986979 804175478 /nfs/dbraw/zinc/17/54/78/804175478.db2.gz ICBGJHRIJYBQPJ-CQSZACIVSA-N 2 0 298.350 0.278 20 30 CCEDRP N#C[C@@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC001219558349 804347231 /nfs/dbraw/zinc/34/72/31/804347231.db2.gz OCPBWKQMXRXGCT-KGLIPLIRSA-N 2 0 272.352 0.694 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455547 815013752 /nfs/dbraw/zinc/01/37/52/815013752.db2.gz IDWUCSSOZSERTG-KFWWJZLASA-N 2 0 295.427 0.597 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)CCC[NH2+]1 ZINC001219648920 804391530 /nfs/dbraw/zinc/39/15/30/804391530.db2.gz CGAUMNZANHJXPP-GZBFAFLISA-N 2 0 263.385 0.494 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC1=CC(=O)CCC1 ZINC001219885907 804440462 /nfs/dbraw/zinc/44/04/62/804440462.db2.gz YSYKJRSAIUUHHD-ZDUSSCGKSA-N 2 0 267.373 0.799 20 30 CCEDRP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275001 804558835 /nfs/dbraw/zinc/55/88/35/804558835.db2.gz LCEGSAVDUXSYQE-MJBXVCDLSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688919 804650691 /nfs/dbraw/zinc/65/06/91/804650691.db2.gz WACVVEVJGBMHPJ-ZNMIVQPWSA-N 2 0 297.443 0.844 20 30 CCEDRP CC(C)C[C@H](C#N)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220702918 804651666 /nfs/dbraw/zinc/65/16/66/804651666.db2.gz ZRXKJAKGPCZPSS-ZJUUUORDSA-N 2 0 258.391 0.060 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ncc(C#N)s1 ZINC001220872051 804685756 /nfs/dbraw/zinc/68/57/56/804685756.db2.gz IHTNMLPHTFVFDS-JTQLQIEISA-N 2 0 281.385 0.348 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001220868760 804685809 /nfs/dbraw/zinc/68/58/09/804685809.db2.gz SFGVHAIAIMKOFF-JSGCOSHPSA-N 2 0 291.399 0.057 20 30 CCEDRP C=CC[C@@](C)(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)OC ZINC001221381892 804795343 /nfs/dbraw/zinc/79/53/43/804795343.db2.gz MARLPYLMRNMOJR-SMDDNHRTSA-N 2 0 285.388 0.457 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001276821947 804797038 /nfs/dbraw/zinc/79/70/38/804797038.db2.gz VSMFNDPTMAMDEX-UONOGXRCSA-N 2 0 283.416 0.718 20 30 CCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272171819 815036346 /nfs/dbraw/zinc/03/63/46/815036346.db2.gz FXALSLGAFBESTQ-AWEZNQCLSA-N 2 0 283.416 0.531 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221399417 804803764 /nfs/dbraw/zinc/80/37/64/804803764.db2.gz NXRJALXJQRKFSY-ZFWWWQNUSA-N 2 0 257.337 0.168 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001227628927 805374645 /nfs/dbraw/zinc/37/46/45/805374645.db2.gz KYBOWPOOFGPJEJ-CQSZACIVSA-N 2 0 283.391 0.880 20 30 CCEDRP C=C[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246017410 807117378 /nfs/dbraw/zinc/11/73/78/807117378.db2.gz BCUJICNXBXQORF-STQMWFEESA-N 2 0 269.389 0.243 20 30 CCEDRP C#CCOC[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC001251847874 807718928 /nfs/dbraw/zinc/71/89/28/807718928.db2.gz ONQQUFLOWWXTAQ-AWEZNQCLSA-N 2 0 254.374 0.271 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001252467427 807878512 /nfs/dbraw/zinc/87/85/12/807878512.db2.gz YKRCPMSFHYLPSS-CQSZACIVSA-N 2 0 256.390 0.824 20 30 CCEDRP CC[NH+](CC)C[C@H](O)CNC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001253214945 808035624 /nfs/dbraw/zinc/03/56/24/808035624.db2.gz TXRHQSMEYXHKKC-CYBMUJFWSA-N 2 0 292.383 0.194 20 30 CCEDRP C[NH+](C)CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254654489 808270479 /nfs/dbraw/zinc/27/04/79/808270479.db2.gz UXXLJGWEMPLCEU-KBPBESRZSA-N 2 0 250.390 0.858 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001261552118 809018916 /nfs/dbraw/zinc/01/89/16/809018916.db2.gz GUXZMHVVCISCEI-CQSZACIVSA-N 2 0 296.415 0.754 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1CC[NH+](CCC)CC1 ZINC001263097456 809441242 /nfs/dbraw/zinc/44/12/42/809441242.db2.gz XGPPQZBBRNIFOF-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+]CC(=O)NCc1ccccc1OCC[NH+](C)C ZINC001263098183 809442089 /nfs/dbraw/zinc/44/20/89/809442089.db2.gz VFZQXFNRDNKMHH-UHFFFAOYSA-N 2 0 289.379 0.466 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC001263231545 809488107 /nfs/dbraw/zinc/48/81/07/809488107.db2.gz KNRXVDWCLLHLNM-ZDUSSCGKSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001263809283 809573480 /nfs/dbraw/zinc/57/34/80/809573480.db2.gz JXUINJMJYXNBSZ-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001264430464 809656691 /nfs/dbraw/zinc/65/66/91/809656691.db2.gz BUOZHFGQZVAHHB-JOCQHMNTSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265785747 809853102 /nfs/dbraw/zinc/85/31/02/809853102.db2.gz GWPCVZWIOTUADW-LSDHHAIUSA-N 2 0 295.427 0.605 20 30 CCEDRP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001266134346 809944772 /nfs/dbraw/zinc/94/47/72/809944772.db2.gz WEDXONJGXJTSFQ-UONOGXRCSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC#C ZINC001024487645 811351783 /nfs/dbraw/zinc/35/17/83/811351783.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 0 287.407 0.688 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104913841 811769621 /nfs/dbraw/zinc/76/96/21/811769621.db2.gz HHYDCKFDJFAZLF-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC ZINC001267989338 811929859 /nfs/dbraw/zinc/92/98/59/811929859.db2.gz KMZHOWGYKXPSCI-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001268072162 812183828 /nfs/dbraw/zinc/18/38/28/812183828.db2.gz SWQHMEGVIHPLKH-UONOGXRCSA-N 2 0 283.416 0.413 20 30 CCEDRP COc1ccc(C#N)c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167883185 812402649 /nfs/dbraw/zinc/40/26/49/812402649.db2.gz BWCSTXBDIREXCO-UHFFFAOYSA-N 2 0 262.317 0.637 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268246798 812413794 /nfs/dbraw/zinc/41/37/94/812413794.db2.gz BCBOIXWZSPWMMB-UHFFFAOYSA-N 2 0 265.401 0.742 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268309028 812468372 /nfs/dbraw/zinc/46/83/72/812468372.db2.gz UKNHQOLWTSBUCK-ZDUSSCGKSA-N 2 0 283.416 0.504 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268315590 812479243 /nfs/dbraw/zinc/47/92/43/812479243.db2.gz OMKOUNZTWINTFQ-AWEZNQCLSA-N 2 0 295.427 0.339 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268538002 812780055 /nfs/dbraw/zinc/78/00/55/812780055.db2.gz DQCNDQBTKVWZBG-XVWMLYKFSA-N 2 0 275.396 0.614 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001268597637 812939587 /nfs/dbraw/zinc/93/95/87/812939587.db2.gz TXAMCMCFTHJIJJ-SNAWJCMRSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268614781 812949117 /nfs/dbraw/zinc/94/91/17/812949117.db2.gz YHVJIPNQFGRMTD-VBROQKIQSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001028636184 813072084 /nfs/dbraw/zinc/07/20/84/813072084.db2.gz LLTDIFIDIWKSPD-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001268797951 813091003 /nfs/dbraw/zinc/09/10/03/813091003.db2.gz CERIHIXSMMGBDK-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001268906105 813139487 /nfs/dbraw/zinc/13/94/87/813139487.db2.gz LHWXLUWSFRWWCN-UHFFFAOYSA-N 2 0 251.374 0.706 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028780933 813497164 /nfs/dbraw/zinc/49/71/64/813497164.db2.gz OKIIDHCSGTXVML-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001270421319 813758487 /nfs/dbraw/zinc/75/84/87/813758487.db2.gz DBYZYNJBMKRAMD-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001270431299 813761094 /nfs/dbraw/zinc/76/10/94/813761094.db2.gz NAGVWYPCEBAFNP-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCCN1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001270658820 813878230 /nfs/dbraw/zinc/87/82/30/813878230.db2.gz SDVZHKDKUOIUHV-OAHLLOKOSA-N 2 0 293.411 0.311 20 30 CCEDRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)[NH+](C)C ZINC001271113774 814157150 /nfs/dbraw/zinc/15/71/50/814157150.db2.gz SWQHMEGVIHPLKH-KBPBESRZSA-N 2 0 283.416 0.413 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088981468 816202311 /nfs/dbraw/zinc/20/23/11/816202311.db2.gz VDHUSMMRTNFDJQ-ILXRZTDVSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+](C)C ZINC001272301553 816285871 /nfs/dbraw/zinc/28/58/71/816285871.db2.gz JXALWHBIGFKUJK-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030964309 816511872 /nfs/dbraw/zinc/51/18/72/816511872.db2.gz ULHPECPBGJFZGZ-AAEUAGOBSA-N 2 0 251.374 0.561 20 30 CCEDRP N#CCc1cc(NCC2(N3CCCC3)COC2)cc[nH+]1 ZINC001168447152 816539613 /nfs/dbraw/zinc/53/96/13/816539613.db2.gz APMFEMUNAJZPMY-UHFFFAOYSA-N 2 0 272.352 0.846 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCCC)CC1 ZINC001272583159 816661353 /nfs/dbraw/zinc/66/13/53/816661353.db2.gz GDGYNNBKPMETLV-OAHLLOKOSA-N 2 0 295.427 0.198 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249819 816688450 /nfs/dbraw/zinc/68/84/50/816688450.db2.gz RPJTVWMIXJVFRM-BPLDGKMQSA-N 2 0 277.412 0.644 20 30 CCEDRP N#Cc1ccc(CN2CCNC[C@@]23CC[NH2+]C3)cn1 ZINC001234985703 816789194 /nfs/dbraw/zinc/78/91/94/816789194.db2.gz FAFJPJAIPICOSF-AWEZNQCLSA-N 2 0 257.341 0.091 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001031714855 817279114 /nfs/dbraw/zinc/27/91/14/817279114.db2.gz NLCFMGKZVQINEO-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031774194 817356388 /nfs/dbraw/zinc/35/63/88/817356388.db2.gz RMAWAMXPBSXABT-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001031926097 817468930 /nfs/dbraw/zinc/46/89/30/817468930.db2.gz SEQOZFTWLBUJDO-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C12CCC2 ZINC001078718255 818041596 /nfs/dbraw/zinc/04/15/96/818041596.db2.gz MZZVKWOJTFIGSI-HUUCEWRRSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCN1CC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001033426012 818773669 /nfs/dbraw/zinc/77/36/69/818773669.db2.gz MUNZICWHFKLBLK-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001033684310 818886638 /nfs/dbraw/zinc/88/66/38/818886638.db2.gz LXJCSGPPCKGIOA-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048255 819044268 /nfs/dbraw/zinc/04/42/68/819044268.db2.gz NRBMTHCJRKZLQX-CABCVRRESA-N 2 0 295.427 0.816 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048257 819044543 /nfs/dbraw/zinc/04/45/43/819044543.db2.gz NRBMTHCJRKZLQX-HUUCEWRRSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726485 820459553 /nfs/dbraw/zinc/45/95/53/820459553.db2.gz YIMYPNRYUNJHQC-AAVRWANBSA-N 2 0 263.385 0.396 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133397 820905703 /nfs/dbraw/zinc/90/57/03/820905703.db2.gz ACMSPCSOILWFOY-RRFJBIMHSA-N 2 0 295.427 0.862 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082447729 820978321 /nfs/dbraw/zinc/97/83/21/820978321.db2.gz MRUWFFWBJPRRHW-JHJVBQTASA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570448 821000677 /nfs/dbraw/zinc/00/06/77/821000677.db2.gz LXBKEMIEOKWFRA-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C ZINC001279160272 821156727 /nfs/dbraw/zinc/15/67/27/821156727.db2.gz BWHYNNBGJVBKIT-CABCVRRESA-N 2 0 293.411 0.026 20 30 CCEDRP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084775936 821387640 /nfs/dbraw/zinc/38/76/40/821387640.db2.gz ZLWWAXJJCCYTSP-BZUAXINKSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969584 821668642 /nfs/dbraw/zinc/66/86/42/821668642.db2.gz KSUZSQXQARWFBA-STQMWFEESA-N 2 0 269.389 0.066 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001086255311 822177707 /nfs/dbraw/zinc/17/77/07/822177707.db2.gz UMSQXUVFSHFABM-BETUJISGSA-N 2 0 286.379 0.879 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100077266 822237880 /nfs/dbraw/zinc/23/78/80/822237880.db2.gz ZPHHNOOJRKHVNB-GJZGRUSLSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083127 822255272 /nfs/dbraw/zinc/25/52/72/822255272.db2.gz NPCHEFHSPDLUQI-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444864 837506287 /nfs/dbraw/zinc/50/62/87/837506287.db2.gz ZXMMNNIOEXOPTH-CYBMUJFWSA-N 2 0 253.390 0.999 20 30 CCEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444865 837506922 /nfs/dbraw/zinc/50/69/22/837506922.db2.gz ZXMMNNIOEXOPTH-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130187066 837716525 /nfs/dbraw/zinc/71/65/25/837716525.db2.gz OECRUOLAAAXXAA-GJZGRUSLSA-N 2 0 293.411 0.359 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297173 837749502 /nfs/dbraw/zinc/74/95/02/837749502.db2.gz IVWHWOVZBLYFSG-LLVKDONJSA-N 2 0 259.781 0.929 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127873 836143119 /nfs/dbraw/zinc/14/31/19/836143119.db2.gz VTZABCVVJNNCNE-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108832158 836536426 /nfs/dbraw/zinc/53/64/26/836536426.db2.gz OHHRFTSERBKUIQ-ZNMIVQPWSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372628 838067695 /nfs/dbraw/zinc/06/76/95/838067695.db2.gz OYXOIJLWYNMYLZ-UHFFFAOYSA-N 2 0 256.309 0.677 20 30 CCEDRP C#CCC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426310 838392422 /nfs/dbraw/zinc/39/24/22/838392422.db2.gz VLXVGDFLRKMGFN-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185445619 844414195 /nfs/dbraw/zinc/41/41/95/844414195.db2.gz AHOBOZNONWSBAN-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372207 839228195 /nfs/dbraw/zinc/22/81/95/839228195.db2.gz OQBPQDKSXNJCHQ-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C=CC[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185492776 844424529 /nfs/dbraw/zinc/42/45/29/844424529.db2.gz RKMWARBBAYEILE-LSDHHAIUSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185651166 844441822 /nfs/dbraw/zinc/44/18/22/844441822.db2.gz VJVHJPROMIOCQN-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001185683314 844445927 /nfs/dbraw/zinc/44/59/27/844445927.db2.gz WURSLLXRBYRDQB-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP Cc1nc(Cl)c(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170897083 839543777 /nfs/dbraw/zinc/54/37/77/839543777.db2.gz CUAKZIGDJXUGIQ-QMMMGPOBSA-N 2 0 254.725 0.746 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537683 839625088 /nfs/dbraw/zinc/62/50/88/839625088.db2.gz MYUJVRNROFCOJJ-CABCVRRESA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC001136661105 839699193 /nfs/dbraw/zinc/69/91/93/839699193.db2.gz SALXAFPKJGIPEP-UHFFFAOYSA-N 2 0 283.416 0.673 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146398021 840295634 /nfs/dbraw/zinc/29/56/34/840295634.db2.gz LEYRDLQWBJTDER-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146572316 840327275 /nfs/dbraw/zinc/32/72/75/840327275.db2.gz VVKIOPITVLVMCH-HUUCEWRRSA-N 2 0 289.423 0.838 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147657906 840650524 /nfs/dbraw/zinc/65/05/24/840650524.db2.gz GZZWYRFQYGKVJL-AWEZNQCLSA-N 2 0 295.402 0.834 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@H]21 ZINC001036855286 841384159 /nfs/dbraw/zinc/38/41/59/841384159.db2.gz YOTFWNDGRILAFZ-ZIAGYGMSSA-N 2 0 286.379 0.898 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178355766 842829307 /nfs/dbraw/zinc/82/93/07/842829307.db2.gz BUSQZPYXGYTGEU-KKUMJFAQSA-N 2 0 293.411 0.309 20 30 CCEDRP COCC#CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461506 843004502 /nfs/dbraw/zinc/00/45/02/843004502.db2.gz NEOCQIAFQDOAFX-UHFFFAOYSA-N 2 0 297.443 0.854 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554033 843019191 /nfs/dbraw/zinc/01/91/91/843019191.db2.gz LPCQCHRBDMDVPV-IHRRRGAJSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CC[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183191516 843974113 /nfs/dbraw/zinc/97/41/13/843974113.db2.gz FLSMKZUMXSFAAH-GDBMZVCRSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187230753 844673453 /nfs/dbraw/zinc/67/34/53/844673453.db2.gz BMZCVCKJQMICGY-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187850678 844782167 /nfs/dbraw/zinc/78/21/67/844782167.db2.gz GHGBBERVTHUEDS-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC#CC)C2)CC1 ZINC001188090838 844829193 /nfs/dbraw/zinc/82/91/93/844829193.db2.gz IOAGKOCFASAQGV-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237710 845371532 /nfs/dbraw/zinc/37/15/32/845371532.db2.gz DTSDYFRXTTVCOW-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190653797 845454275 /nfs/dbraw/zinc/45/42/75/845454275.db2.gz GHOFGNPTQFWIOQ-HUUCEWRRSA-N 2 0 277.412 0.883 20 30 CCEDRP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192948909 845932947 /nfs/dbraw/zinc/93/29/47/845932947.db2.gz XQGNKHOFMCCORY-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488185 846091432 /nfs/dbraw/zinc/09/14/32/846091432.db2.gz MARSIJFMLCBLRG-CQSZACIVSA-N 2 0 283.416 0.673 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196115807 846691841 /nfs/dbraw/zinc/69/18/41/846691841.db2.gz RYALFTONQQIZKD-RBSFLKMASA-N 2 0 297.443 0.844 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197024233 846835102 /nfs/dbraw/zinc/83/51/02/846835102.db2.gz BDXIENXKIWGQGH-RBSFLKMASA-N 2 0 297.443 0.700 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCF)CC1 ZINC001152324106 846890082 /nfs/dbraw/zinc/89/00/82/846890082.db2.gz KZAPETIMWAGPFE-UHFFFAOYSA-N 2 0 255.337 0.007 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493414 846928765 /nfs/dbraw/zinc/92/87/65/846928765.db2.gz MCEMSJANRMGKEG-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200794829 847693711 /nfs/dbraw/zinc/69/37/11/847693711.db2.gz FXCVXJQVYJANHN-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309832 847764073 /nfs/dbraw/zinc/76/40/73/847764073.db2.gz SQOUUBIUCUDJKL-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201678505 847801034 /nfs/dbraw/zinc/80/10/34/847801034.db2.gz KUUMYCDQYOHPQE-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201809438 847815872 /nfs/dbraw/zinc/81/58/72/847815872.db2.gz NUXXJRCZRNZNCX-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C[C@](C)(O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001252573090 848012797 /nfs/dbraw/zinc/01/27/97/848012797.db2.gz YRSAHSGZLWZDEX-ZDUSSCGKSA-N 2 0 255.406 0.539 20 30 CCEDRP C=C[C@@](C)(O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252584958 848022186 /nfs/dbraw/zinc/02/21/86/848022186.db2.gz INNROYQSIBOWRF-CQSZACIVSA-N 2 0 254.374 0.624 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001274500843 848490766 /nfs/dbraw/zinc/49/07/66/848490766.db2.gz BTYQESCLVWCJEQ-ZDUSSCGKSA-N 2 0 281.400 0.210 20 30 CCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518674 848495047 /nfs/dbraw/zinc/49/50/47/848495047.db2.gz ITQCUIGEPQRVKY-LQYUOIDQSA-N 2 0 295.427 0.484 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001274841255 848574903 /nfs/dbraw/zinc/57/49/03/848574903.db2.gz QWIUWKUUBVBSMS-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275411855 848715019 /nfs/dbraw/zinc/71/50/19/848715019.db2.gz DKKYCPJELJQMLZ-CHWSQXEVSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048864546 852089845 /nfs/dbraw/zinc/08/98/45/852089845.db2.gz JELNISAGTWGJOF-GASCZTMLSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492110372 907704314 /nfs/dbraw/zinc/70/43/14/907704314.db2.gz DVEPCGTUUCCUOO-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071796170 854295357 /nfs/dbraw/zinc/29/53/57/854295357.db2.gz QBINWEUFWLRSCR-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872519 855014441 /nfs/dbraw/zinc/01/44/41/855014441.db2.gz VIZKRIXLRUHEJB-ZIAGYGMSSA-N 2 0 293.411 0.045 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083241 855097684 /nfs/dbraw/zinc/09/76/84/855097684.db2.gz PAWFERNQUGOIKD-GJZGRUSLSA-N 2 0 295.427 0.293 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124739 855102693 /nfs/dbraw/zinc/10/26/93/855102693.db2.gz MOKJGYSKBWNZAQ-LSDHHAIUSA-N 2 0 295.427 0.600 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100185673 855113412 /nfs/dbraw/zinc/11/34/12/855113412.db2.gz KAGSBXQITNIYCE-JXQTWKCFSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001100785384 855223693 /nfs/dbraw/zinc/22/36/93/855223693.db2.gz HZVULMXOBFAYQB-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980891 855251802 /nfs/dbraw/zinc/25/18/02/855251802.db2.gz LDYNYQVPGDEWCW-MOKVOYLWSA-N 2 0 263.385 0.446 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001118384043 856285368 /nfs/dbraw/zinc/28/53/68/856285368.db2.gz PCXKOJDHXRXHJE-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@@H](CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[NH+](C)C ZINC001120489083 857090219 /nfs/dbraw/zinc/09/02/19/857090219.db2.gz OOMCVGSAPSTHHM-KBPBESRZSA-N 2 0 283.416 0.988 20 30 CCEDRP COCC#CCN1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001323358370 912291476 /nfs/dbraw/zinc/29/14/76/912291476.db2.gz SHRBQZOYFKKDGK-AWEZNQCLSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481506808 892755563 /nfs/dbraw/zinc/75/55/63/892755563.db2.gz LCZAYKKIUPVORA-UONOGXRCSA-N 2 0 265.401 0.904 20 30 CCEDRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326075834 913740096 /nfs/dbraw/zinc/74/00/96/913740096.db2.gz QBSGQADRDPBZBK-GFCCVEGCSA-N 2 0 252.362 0.466 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481820577 893189092 /nfs/dbraw/zinc/18/90/92/893189092.db2.gz GGXOMMDKZRPLMP-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CCC)CC1 ZINC001326147701 913774952 /nfs/dbraw/zinc/77/49/52/913774952.db2.gz GJYKDTUZNCPONM-UHFFFAOYSA-N 2 0 295.427 0.152 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCC[NH2+]C1 ZINC001326312504 913883374 /nfs/dbraw/zinc/88/33/74/913883374.db2.gz BBRXBWDDKUSQST-SRVKXCTJSA-N 2 0 252.362 0.512 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCC[NH2+]C1 ZINC001326312502 913884329 /nfs/dbraw/zinc/88/43/29/913884329.db2.gz BBRXBWDDKUSQST-QJPTWQEYSA-N 2 0 252.362 0.512 20 30 CCEDRP C=CCC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482788250 894602525 /nfs/dbraw/zinc/60/25/25/894602525.db2.gz YFEAGAKRSKJDQS-KBPBESRZSA-N 2 0 295.427 0.504 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483008771 894798907 /nfs/dbraw/zinc/79/89/07/894798907.db2.gz MZDNDNHDLCQESP-FOSCPCJNSA-N 2 0 275.396 0.614 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228946 895146733 /nfs/dbraw/zinc/14/67/33/895146733.db2.gz SWSJRDFNZQUJDQ-JSGCOSHPSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001326412168 913940779 /nfs/dbraw/zinc/94/07/79/913940779.db2.gz RDCXYGXQYPDBCT-CQSZACIVSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCF)CC1 ZINC001483296419 895418826 /nfs/dbraw/zinc/41/88/26/895418826.db2.gz IBIXFYQUCLYRBC-ZDUSSCGKSA-N 2 0 283.391 0.786 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001483773243 896040186 /nfs/dbraw/zinc/04/01/86/896040186.db2.gz HQTHMCUNDUMRAX-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001484493003 896437919 /nfs/dbraw/zinc/43/79/19/896437919.db2.gz ARISMWCIANQPJA-CQSZACIVSA-N 2 0 283.416 0.315 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484550191 896468082 /nfs/dbraw/zinc/46/80/82/896468082.db2.gz QYDFYPPTNLSETQ-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001484681627 896525154 /nfs/dbraw/zinc/52/51/54/896525154.db2.gz ZBFLUWSQKOIDFP-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001484687995 896542437 /nfs/dbraw/zinc/54/24/37/896542437.db2.gz QXGABBOWGSHZKK-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898956 896658491 /nfs/dbraw/zinc/65/84/91/896658491.db2.gz CWXXYNLXDJTOGY-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485094394 896775992 /nfs/dbraw/zinc/77/59/92/896775992.db2.gz RVYUWMTXIJOYLJ-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001485305220 896950410 /nfs/dbraw/zinc/95/04/10/896950410.db2.gz AXUPBMHMVYMYCI-MELADBBJSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC=C ZINC001032453631 897588430 /nfs/dbraw/zinc/58/84/30/897588430.db2.gz HPWLAYQZUSOCJE-JYJNAYRXSA-N 2 0 287.407 0.945 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408665 897885620 /nfs/dbraw/zinc/88/56/20/897885620.db2.gz XBHIUTIMCHXKES-ZIAGYGMSSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001486519635 898921186 /nfs/dbraw/zinc/92/11/86/898921186.db2.gz WERDDNFFIZMMKD-UHFFFAOYSA-N 2 0 263.385 0.710 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)CCO1 ZINC001327033607 914327640 /nfs/dbraw/zinc/32/76/40/914327640.db2.gz DIGKSYWUJRZLPR-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799460 899823192 /nfs/dbraw/zinc/82/31/92/899823192.db2.gz OPRJWJHEJSEGQK-UHFFFAOYSA-N 2 0 273.380 0.743 20 30 CCEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001488946757 900416230 /nfs/dbraw/zinc/41/62/30/900416230.db2.gz FWSOTBBJNBXOKI-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001490459515 900644115 /nfs/dbraw/zinc/64/41/15/900644115.db2.gz RHHPLTSMZVQKKM-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001490515475 900656759 /nfs/dbraw/zinc/65/67/59/900656759.db2.gz UEUJHTBKFLVMQO-OAHLLOKOSA-N 2 0 294.443 0.248 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491070705 903333500 /nfs/dbraw/zinc/33/35/00/903333500.db2.gz XMPMOUCZDOPKHD-SOUVJXGZSA-N 2 0 293.411 0.215 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001281265133 904252483 /nfs/dbraw/zinc/25/24/83/904252483.db2.gz UVJWBQFWNOFFFP-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001282220672 904434946 /nfs/dbraw/zinc/43/49/46/904434946.db2.gz UJWRNHYVGKRDSI-STQMWFEESA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001332634653 904543820 /nfs/dbraw/zinc/54/38/20/904543820.db2.gz SBVFHEUXKPIXBU-CABCVRRESA-N 2 0 297.443 0.796 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001283030964 904675098 /nfs/dbraw/zinc/67/50/98/904675098.db2.gz BNJUTIMREPRLAH-RBSFLKMASA-N 2 0 295.427 0.768 20 30 CCEDRP C#CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001283261246 904781643 /nfs/dbraw/zinc/78/16/43/904781643.db2.gz QUDQKSDKZJTKCI-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001283765404 905004301 /nfs/dbraw/zinc/00/43/01/905004301.db2.gz UCQMKTCGMUBREX-UONOGXRCSA-N 2 0 283.416 0.504 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316639523 905662519 /nfs/dbraw/zinc/66/25/19/905662519.db2.gz PNLZVECUUBXJEW-KKUMJFAQSA-N 2 0 293.411 0.072 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001492110374 907706483 /nfs/dbraw/zinc/70/64/83/907706483.db2.gz DVEPCGTUUCCUOO-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001492129832 907713396 /nfs/dbraw/zinc/71/33/96/907713396.db2.gz SOOUIDBRUYPGSG-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001313439509 908666244 /nfs/dbraw/zinc/66/62/44/908666244.db2.gz XWEFJVBPEJGHPN-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316996276 908907830 /nfs/dbraw/zinc/90/78/30/908907830.db2.gz WRUGMLCLJBDCLQ-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001317011639 908915813 /nfs/dbraw/zinc/91/58/13/908915813.db2.gz OUZJRITZGGJACA-KBPBESRZSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317341972 909151204 /nfs/dbraw/zinc/15/12/04/909151204.db2.gz WUIROXQFADBZCY-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317342362 909151657 /nfs/dbraw/zinc/15/16/57/909151657.db2.gz GLRHMLSRBMKDDE-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317811775 909509059 /nfs/dbraw/zinc/50/90/59/909509059.db2.gz QLZQUZNVYKQTMU-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001318507440 909787207 /nfs/dbraw/zinc/78/72/07/909787207.db2.gz RAZSWVPKYZJVLK-KBPBESRZSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319560945 910204667 /nfs/dbraw/zinc/20/46/67/910204667.db2.gz QNRCHGMBJXDPIL-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320274625 910570305 /nfs/dbraw/zinc/57/03/05/910570305.db2.gz QMESKYMZWBDHGQ-KGLIPLIRSA-N 2 0 283.416 0.361 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320839369 910898398 /nfs/dbraw/zinc/89/83/98/910898398.db2.gz AXAXWPDSPDGLHR-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]CCN(CC)C(=O)[C@H](CC)[NH+](C)C ZINC001320846059 910901560 /nfs/dbraw/zinc/90/15/60/910901560.db2.gz RQFLLQMURCHGCD-ZDUSSCGKSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092475 911070796 /nfs/dbraw/zinc/07/07/96/911070796.db2.gz RBNLAWYARBFVKM-VOTSOKGWSA-N 2 0 263.385 0.756 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182706 911696982 /nfs/dbraw/zinc/69/69/82/911696982.db2.gz HZRAKNUWGXCCAT-STQMWFEESA-N 2 0 253.390 0.642 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2cncn2C1 ZINC001322191560 911704463 /nfs/dbraw/zinc/70/44/63/911704463.db2.gz BZRAHUGTNLWBEI-STQMWFEESA-N 2 0 274.368 0.515 20 30 CCEDRP COCC#CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001328953720 915541541 /nfs/dbraw/zinc/54/15/41/915541541.db2.gz AHAVCUQUPRJKFD-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001329441907 915917065 /nfs/dbraw/zinc/91/70/65/915917065.db2.gz POHHZPMMEMMZAK-BFHYXJOUSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329516614 915980251 /nfs/dbraw/zinc/98/02/51/915980251.db2.gz REFIQSWNPKUVFZ-GFCCVEGCSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CN(C)CCO1 ZINC001329876641 916246171 /nfs/dbraw/zinc/24/61/71/916246171.db2.gz RCIFGDHPEGRZDZ-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001332928824 918539204 /nfs/dbraw/zinc/53/92/04/918539204.db2.gz NKEOKZPIUVBTHC-CQSZACIVSA-N 2 0 296.415 0.625 20 30 CCEDRP C[NH+](C)CCCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001333178908 918713241 /nfs/dbraw/zinc/71/32/41/918713241.db2.gz VYRXEQQLZLMUIU-JVWICGRDSA-N 2 0 278.400 0.584 20 30 CCEDRP CCC1([NH3+])CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001333253977 918753346 /nfs/dbraw/zinc/75/33/46/918753346.db2.gz JSIAPKFRVCBSKH-LLVKDONJSA-N 2 0 252.362 0.737 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001335318369 920118633 /nfs/dbraw/zinc/11/86/33/920118633.db2.gz UVYWJWPKCOWZJE-AWEZNQCLSA-N 2 0 282.432 0.514 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC001335383014 920159877 /nfs/dbraw/zinc/15/98/77/920159877.db2.gz STOPVKQEVKAYRG-HOTGVXAUSA-N 2 0 276.380 0.626 20 30 CCEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC001335395645 920168815 /nfs/dbraw/zinc/16/88/15/920168815.db2.gz XHQBPPHQWNRHPS-KBPBESRZSA-N 2 0 268.405 0.124 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC001335412006 920179351 /nfs/dbraw/zinc/17/93/51/920179351.db2.gz FSJPIIQEPHTMCX-CYBMUJFWSA-N 2 0 280.416 0.934 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)c2cnc(C[NH3+])nc2)CC1 ZINC001336721000 920953398 /nfs/dbraw/zinc/95/33/98/920953398.db2.gz JIUULUJDMGZMBU-UHFFFAOYSA-N 2 0 275.356 0.316 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC001336784311 921004953 /nfs/dbraw/zinc/00/49/53/921004953.db2.gz PMXNXFJUBMNSEE-CYBMUJFWSA-N 2 0 254.374 0.197 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001340882346 922258987 /nfs/dbraw/zinc/25/89/87/922258987.db2.gz XTKFRZZCIPELFC-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1C ZINC001340923614 922280087 /nfs/dbraw/zinc/28/00/87/922280087.db2.gz ROPZVYPMMLHLPJ-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001341577936 922560411 /nfs/dbraw/zinc/56/04/11/922560411.db2.gz GLVQHUDTTKISQN-KGLIPLIRSA-N 2 0 285.432 0.857 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCC[NH2+]1 ZINC001342110811 922809399 /nfs/dbraw/zinc/80/93/99/922809399.db2.gz HJSCMZZYEJFPJS-BXUZGUMPSA-N 2 0 251.374 0.799 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001345371261 923865180 /nfs/dbraw/zinc/86/51/80/923865180.db2.gz RCJAJNNJUVHUDI-ZDUSSCGKSA-N 2 0 263.385 0.719 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])CO)C(C)C ZINC001357363155 926517121 /nfs/dbraw/zinc/51/71/21/926517121.db2.gz WRNAUWMOACIERW-CHWSQXEVSA-N 2 0 269.389 0.121 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001443738488 929687503 /nfs/dbraw/zinc/68/75/03/929687503.db2.gz BQHRQUYLUZSNLV-AWEZNQCLSA-N 2 0 294.443 0.389 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000602590212 362696412 /nfs/dbraw/zinc/69/64/12/362696412.db2.gz CNXBLFYCLVTWJY-CHWSQXEVSA-N 2 0 264.373 0.560 20 30 CCEDRP C[NH+]1CCC(O)(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000344578515 137202770 /nfs/dbraw/zinc/20/27/70/137202770.db2.gz GHAKZSDTAGGODY-UHFFFAOYSA-N 2 0 299.378 0.752 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCNc1cc[nH+]cc1 ZINC000580772298 359092152 /nfs/dbraw/zinc/09/21/52/359092152.db2.gz ZKAUHQWUZNXJKZ-GFCCVEGCSA-N 2 0 261.329 0.053 20 30 CCEDRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441804 360310164 /nfs/dbraw/zinc/31/01/64/360310164.db2.gz XABHJZCQBLQGKI-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000594443942 360311006 /nfs/dbraw/zinc/31/10/06/360311006.db2.gz KFLOJCLRWZHBHI-HIFRSBDPSA-N 2 0 278.400 1.000 20 30 CCEDRP C[N@@H+](CCc1ccc(C#N)cc1)CCN1CC[NH2+]CC1 ZINC000595893418 360693021 /nfs/dbraw/zinc/69/30/21/360693021.db2.gz QOHXIVZRWWDHAI-UHFFFAOYSA-N 2 0 272.396 0.938 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595942922 360718870 /nfs/dbraw/zinc/71/88/70/360718870.db2.gz FCCFBISGQJZBMK-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000596653780 360936722 /nfs/dbraw/zinc/93/67/22/360936722.db2.gz LKCVTNCXFRIWFS-VHSXEESVSA-N 2 0 261.329 0.813 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000626970035 368702474 /nfs/dbraw/zinc/70/24/74/368702474.db2.gz DUSUTWSZOPYPBI-WCQYABFASA-N 2 0 266.389 0.686 20 30 CCEDRP C=CC[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629560313 369708127 /nfs/dbraw/zinc/70/81/27/369708127.db2.gz LJQLLTRUDGMQTH-OAHLLOKOSA-N 2 0 267.417 0.683 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523878 388931549 /nfs/dbraw/zinc/93/15/49/388931549.db2.gz IQBPSESBRWZHAM-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP CCCNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104163537 389079722 /nfs/dbraw/zinc/07/97/22/389079722.db2.gz DZJXFTXBHUBQIP-UHFFFAOYSA-N 2 0 290.415 0.648 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110649819 389101757 /nfs/dbraw/zinc/10/17/57/389101757.db2.gz MFYVVUQBSAGBJM-SNVBAGLBSA-N 2 0 268.361 0.057 20 30 CCEDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOCCC#N ZINC000339055470 389123502 /nfs/dbraw/zinc/12/35/02/389123502.db2.gz IRGFPABSFJVEDC-UHFFFAOYSA-N 2 0 268.405 0.486 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000123044495 389154106 /nfs/dbraw/zinc/15/41/06/389154106.db2.gz UOQMFNRFMCYHSW-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)c1C ZINC000134214728 389243088 /nfs/dbraw/zinc/24/30/88/389243088.db2.gz XQGYSSODIFQTGS-CYBMUJFWSA-N 2 0 278.404 0.617 20 30 CCEDRP CN(C)C(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264089787 389306424 /nfs/dbraw/zinc/30/64/24/389306424.db2.gz KNQZNRDZIFGGBE-CQSZACIVSA-N 2 0 276.384 0.282 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)nn(C)c1C ZINC000267475281 389372122 /nfs/dbraw/zinc/37/21/22/389372122.db2.gz ZDZGPZYLDVOEJC-ZDUSSCGKSA-N 2 0 292.431 0.926 20 30 CCEDRP C[NH+](C)C/C=C/C(=O)N(CCC#N)CCC[NH+](C)C ZINC000265630475 389359639 /nfs/dbraw/zinc/35/96/39/389359639.db2.gz JGCPTNUDLNDAGX-VMPITWQZSA-N 2 0 266.389 0.798 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000351188014 389568202 /nfs/dbraw/zinc/56/82/02/389568202.db2.gz XMCPUZDHXAVYKZ-UHFFFAOYSA-N 2 0 256.390 0.395 20 30 CCEDRP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CC[NH+](C)CC1 ZINC000442788864 389863066 /nfs/dbraw/zinc/86/30/66/389863066.db2.gz JFCAODXAZKDIRX-MGPQQGTHSA-N 2 0 250.390 0.904 20 30 CCEDRP C#CCN(C)CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491454576 390113608 /nfs/dbraw/zinc/11/36/08/390113608.db2.gz ZUYWPLKCHJXHBL-XHSDSOJGSA-N 2 0 297.443 0.001 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000491567136 390114965 /nfs/dbraw/zinc/11/49/65/390114965.db2.gz JOKLYTWOWFRYCR-KGLIPLIRSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491644784 390115377 /nfs/dbraw/zinc/11/53/77/390115377.db2.gz LOELNFZDJVWLHY-ZIAGYGMSSA-N 2 0 280.416 0.723 20 30 CCEDRP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000562442889 390489703 /nfs/dbraw/zinc/48/97/03/390489703.db2.gz AGXYZNYHPUDSSA-ZDUSSCGKSA-N 2 0 289.383 0.972 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361103 412039146 /nfs/dbraw/zinc/03/91/46/412039146.db2.gz YKGIBQLMGCBCCF-MGPQQGTHSA-N 2 0 281.400 0.649 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CCC[NH2+]1 ZINC000662765154 414773722 /nfs/dbraw/zinc/77/37/22/414773722.db2.gz RJRVLBOMVRGDFB-YRGRVCCFSA-N 2 0 251.374 0.880 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000662405226 414714901 /nfs/dbraw/zinc/71/49/01/414714901.db2.gz KZQOJMZSICFHQD-OCCSQVGLSA-N 2 0 251.374 0.801 20 30 CCEDRP C=CC[C@]1(C(=O)NC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662662823 414738636 /nfs/dbraw/zinc/73/86/36/414738636.db2.gz WYXBELOQCFLFRO-CQSZACIVSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)CCOC)CCC[NH2+]1 ZINC000662702653 414743870 /nfs/dbraw/zinc/74/38/70/414743870.db2.gz BMZXGXALCIMFLL-AWEZNQCLSA-N 2 0 269.389 0.379 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CCC[NH2+]1 ZINC000662830808 414823835 /nfs/dbraw/zinc/82/38/35/414823835.db2.gz VHPFPZNCQKHTHX-UMVBOHGHSA-N 2 0 281.400 0.507 20 30 CCEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000068808932 260147298 /nfs/dbraw/zinc/14/72/98/260147298.db2.gz UORNBWGOSMVMMR-CYBMUJFWSA-N 2 0 261.373 0.659 20 30 CCEDRP CN(C)C(=[NH+]CCN1CCOCC1(C)C)N(C)C ZINC000170914942 329072307 /nfs/dbraw/zinc/07/23/07/329072307.db2.gz KCZUMQOCDPJCHW-UHFFFAOYSA-N 2 0 256.394 0.576 20 30 CCEDRP C[C@@H]1CN(C(=[NH2+])NCC2=CC[N@H+](C)CC2)CCO1 ZINC000262306777 330005361 /nfs/dbraw/zinc/00/53/61/330005361.db2.gz ASHJMUAPFDGLSX-LLVKDONJSA-N 2 0 252.362 0.284 20 30 CCEDRP C#CCNC(NCC[N@@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000262601400 330022649 /nfs/dbraw/zinc/02/26/49/330022649.db2.gz CYQQKNVSWHGNIL-CYBMUJFWSA-N 2 0 250.390 0.907 20 30 CCEDRP COC1CC[NH+](C(C)(C)CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262633316 330023799 /nfs/dbraw/zinc/02/37/99/330023799.db2.gz GEPJDTPJHMBCNJ-NSHDSACASA-N 2 0 268.405 0.813 20 30 CCEDRP CCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262680829 330026510 /nfs/dbraw/zinc/02/65/10/330026510.db2.gz WEFCCDVKVNDAFE-OLZOCXBDSA-N 2 0 268.405 0.896 20 30 CCEDRP [NH2+]=C(NCCc1cccs1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262766302 330030191 /nfs/dbraw/zinc/03/01/91/330030191.db2.gz HILXELNFVQVTJM-LBPRGKRZSA-N 2 0 293.440 0.195 20 30 CCEDRP [NH2+]=C(NC[C@@H]1CCCO1)NCC1CC[NH+](C2CC2)CC1 ZINC000262779970 330031004 /nfs/dbraw/zinc/03/10/04/330031004.db2.gz KTNUVWAAQATRIP-AWEZNQCLSA-N 2 0 280.416 0.944 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCc2ccccc21 ZINC000262821827 330034277 /nfs/dbraw/zinc/03/42/77/330034277.db2.gz YMMDJKKVVHJXFI-HNNXBMFYSA-N 2 0 299.422 0.624 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C[NH3+] ZINC000424078454 330221305 /nfs/dbraw/zinc/22/13/05/330221305.db2.gz PXGDOZXMYHDZMD-WOPDTQHZSA-N 2 0 252.362 0.593 20 30 CCEDRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424133940 330266378 /nfs/dbraw/zinc/26/63/78/330266378.db2.gz MYHSGVYLJGHVTI-STQMWFEESA-N 2 0 266.389 0.950 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160789 330306289 /nfs/dbraw/zinc/30/62/89/330306289.db2.gz UVBCZCOTDKKQSO-QWHCGFSZSA-N 2 0 282.388 0.235 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160790 330306291 /nfs/dbraw/zinc/30/62/91/330306291.db2.gz UVBCZCOTDKKQSO-STQMWFEESA-N 2 0 282.388 0.235 20 30 CCEDRP C=CCn1cc(C[NH2+][C@H](CCC[NH3+])COC)nn1 ZINC000424371027 330348266 /nfs/dbraw/zinc/34/82/66/330348266.db2.gz FFGVYGLSZMLHFX-LLVKDONJSA-N 2 0 253.350 0.308 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524574 330368501 /nfs/dbraw/zinc/36/85/01/330368501.db2.gz QKDWOQKBDWYVFO-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000491164711 332159318 /nfs/dbraw/zinc/15/93/18/332159318.db2.gz DVULORNRSYFMDK-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000491220747 332168632 /nfs/dbraw/zinc/16/86/32/332168632.db2.gz PYCMYKZIYVITTQ-CYBMUJFWSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491568091 332239660 /nfs/dbraw/zinc/23/96/60/332239660.db2.gz OTJJDGYQDMZQJP-NSHDSACASA-N 2 0 288.342 0.238 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000491646653 332263792 /nfs/dbraw/zinc/26/37/92/332263792.db2.gz UGRSHHWGTSWCJV-OAHLLOKOSA-N 2 0 294.443 0.925 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000491698178 332293217 /nfs/dbraw/zinc/29/32/17/332293217.db2.gz LVRRYAUWIDCZDQ-KGLIPLIRSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000491698677 332293642 /nfs/dbraw/zinc/29/36/42/332293642.db2.gz IEZIFMMQMVGIHD-HUUCEWRRSA-N 2 0 294.443 0.923 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000491817907 332368463 /nfs/dbraw/zinc/36/84/63/332368463.db2.gz JTQLHITXLZMRCE-RBSFLKMASA-N 2 0 292.427 0.629 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000174952826 333011528 /nfs/dbraw/zinc/01/15/28/333011528.db2.gz BRORUQYJYXMNSZ-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[NH+](C)C)CC1 ZINC000133629192 334048199 /nfs/dbraw/zinc/04/81/99/334048199.db2.gz WZYNWMFJIHFENE-UHFFFAOYSA-N 2 0 268.405 0.888 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000576979058 335272583 /nfs/dbraw/zinc/27/25/83/335272583.db2.gz BATNHGDZNKTSCH-MRXNPFEDSA-N 2 0 294.443 0.657 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354495528 526622282 /nfs/dbraw/zinc/62/22/82/526622282.db2.gz LPSJGOQWNAUOHG-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C=C[C@H](O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000667812140 545156609 /nfs/dbraw/zinc/15/66/09/545156609.db2.gz FFJKTYRDYJAWAL-KGLIPLIRSA-N 2 0 283.416 0.408 20 30 CCEDRP C#CCOCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000851883659 612984848 /nfs/dbraw/zinc/98/48/48/612984848.db2.gz XMJZXYUAPPYBDH-CVEARBPZSA-N 2 0 279.428 0.594 20 30 CCEDRP CC(C)C[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852854632 614094052 /nfs/dbraw/zinc/09/40/52/614094052.db2.gz LMWIWJBPSZCIKN-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968645061 612963758 /nfs/dbraw/zinc/96/37/58/612963758.db2.gz LLDZOJJZWREJNE-ZIAGYGMSSA-N 2 0 263.385 0.683 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176049 613005046 /nfs/dbraw/zinc/00/50/46/613005046.db2.gz KNDMUBPEWACMLU-INIZCTEOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCCOC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000858941894 613048348 /nfs/dbraw/zinc/04/83/48/613048348.db2.gz LXPRQQVIOLMXPE-UHFFFAOYSA-N 2 0 255.362 0.572 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000836487198 613077035 /nfs/dbraw/zinc/07/70/35/613077035.db2.gz AMDDWHINZFPREN-GJZGRUSLSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#CC)C[C@H]32)CC1 ZINC000962780591 613132009 /nfs/dbraw/zinc/13/20/09/613132009.db2.gz SUZGZVNZPZBGGD-FVQHAEBGSA-N 2 0 299.418 0.401 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C(=C)CC[NH+](C)C)CC1 ZINC000928648048 613132549 /nfs/dbraw/zinc/13/25/49/613132549.db2.gz DTUHASJCUOQFQD-UHFFFAOYSA-N 2 0 263.385 0.708 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000928659862 613133217 /nfs/dbraw/zinc/13/32/17/613133217.db2.gz BFQZHOILVSPCSG-MRXNPFEDSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925357633 613135531 /nfs/dbraw/zinc/13/55/31/613135531.db2.gz WUUCTYOCZMLXRK-JSGCOSHPSA-N 2 0 278.400 0.476 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@]1(O)CC[N@H+](C)C1 ZINC000849019155 613220225 /nfs/dbraw/zinc/22/02/25/613220225.db2.gz MPZFKWFWQFUKPC-CYBMUJFWSA-N 2 0 266.345 0.011 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC1 ZINC000849000247 613220534 /nfs/dbraw/zinc/22/05/34/613220534.db2.gz LYEGKMVQDWRVMM-NWDGAFQWSA-N 2 0 252.362 0.177 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000947686328 613224991 /nfs/dbraw/zinc/22/49/91/613224991.db2.gz WVHLJTJWZKEORY-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959852003 613316794 /nfs/dbraw/zinc/31/67/94/613316794.db2.gz UPVMPTAXGBLPIA-BARDWOONSA-N 2 0 275.396 0.539 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000962294022 613344564 /nfs/dbraw/zinc/34/45/64/613344564.db2.gz QBQGCXMQWIHRBJ-TTZDDIAXSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(C)[C@@H](CO)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592893 613360477 /nfs/dbraw/zinc/36/04/77/613360477.db2.gz ACRCDEMKQPCPMX-OAHLLOKOSA-N 2 0 267.417 0.635 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000907515637 613363997 /nfs/dbraw/zinc/36/39/97/613363997.db2.gz NRBJAKWEJYUGGI-KGLIPLIRSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000900844947 613364257 /nfs/dbraw/zinc/36/42/57/613364257.db2.gz RTHJETWROHOZSD-OAHLLOKOSA-N 2 0 295.427 0.675 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000827343087 613366545 /nfs/dbraw/zinc/36/65/45/613366545.db2.gz RVUGLQQTINRWJD-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824084458 613366830 /nfs/dbraw/zinc/36/68/30/613366830.db2.gz GMHWGWWIVGTEFD-VXGBXAGGSA-N 2 0 253.390 0.949 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000876874925 613387465 /nfs/dbraw/zinc/38/74/65/613387465.db2.gz LXZVIZSTPJDYSL-GFCCVEGCSA-N 2 0 289.807 0.637 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000876739016 613388158 /nfs/dbraw/zinc/38/81/58/613388158.db2.gz BKSHDFQTCDTICF-GHMZBOCLSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000876874926 613389328 /nfs/dbraw/zinc/38/93/28/613389328.db2.gz LXZVIZSTPJDYSL-LBPRGKRZSA-N 2 0 289.807 0.637 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000876856464 613389541 /nfs/dbraw/zinc/38/95/41/613389541.db2.gz FUUGMVLPOWNPKG-DCAQKATOSA-N 2 0 257.765 0.667 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000876919188 613389577 /nfs/dbraw/zinc/38/95/77/613389577.db2.gz SMOBMBJNFIPRRW-GDPRMGEGSA-N 2 0 259.781 0.900 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000876871206 613390251 /nfs/dbraw/zinc/39/02/51/613390251.db2.gz RNMKNVLXGHPFFS-BQBZGAKWSA-N 2 0 273.686 0.852 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970876058 613530382 /nfs/dbraw/zinc/53/03/82/613530382.db2.gz BTGXIVCIYXPGLJ-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374652 613548837 /nfs/dbraw/zinc/54/88/37/613548837.db2.gz NUPXANQEPBQJDW-HUUCEWRRSA-N 2 0 295.427 0.313 20 30 CCEDRP CC(=NNC1=[NH+]CCN1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000841659321 613654539 /nfs/dbraw/zinc/65/45/39/613654539.db2.gz JRXBYLCXNJBSGK-UHFFFAOYSA-N 2 0 271.368 0.648 20 30 CCEDRP C=CCNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000848982514 613844582 /nfs/dbraw/zinc/84/45/82/613844582.db2.gz SIBGLHIZWHFYGD-LBPRGKRZSA-N 2 0 254.378 0.643 20 30 CCEDRP C=CCOCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021103 613879140 /nfs/dbraw/zinc/87/91/40/613879140.db2.gz AISJTIYICLEZHC-ZIAGYGMSSA-N 2 0 283.416 0.387 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884430094 614163786 /nfs/dbraw/zinc/16/37/86/614163786.db2.gz DSVYXSCSIJHIRC-IQXANGCESA-N 2 0 290.411 0.582 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884365459 614861160 /nfs/dbraw/zinc/86/11/60/614861160.db2.gz JLPZGRITHRNLBO-LCVSEQLJSA-N 2 0 276.384 0.368 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000884364376 614861570 /nfs/dbraw/zinc/86/15/70/614861570.db2.gz QVDUXLBQSBDOIU-KFWWJZLASA-N 2 0 298.390 0.987 20 30 CCEDRP C[NH+](C)C(C)(C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852854375 615839069 /nfs/dbraw/zinc/83/90/69/615839069.db2.gz GNKIBQOOOAKZMP-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C[NH+](C)[C@@]1(CNC(=O)C#CC2CC[NH2+]CC2)CCSC1 ZINC000852859751 615986678 /nfs/dbraw/zinc/98/66/78/615986678.db2.gz ZLWHCTFNBKMYBU-OAHLLOKOSA-N 2 0 295.452 0.543 20 30 CCEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCCO)cc2)CC1 ZINC000814942885 616247222 /nfs/dbraw/zinc/24/72/22/616247222.db2.gz XQTHXEYZUTZWLH-UHFFFAOYSA-N 2 0 262.357 0.354 20 30 CCEDRP C[NH2+]CCC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852875080 616939727 /nfs/dbraw/zinc/93/97/27/616939727.db2.gz RZRCSYOTLBWGRY-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000884251003 616972259 /nfs/dbraw/zinc/97/22/59/616972259.db2.gz UEFAWXVVSITVBI-WCQYABFASA-N 2 0 288.351 0.126 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026044903 625324736 /nfs/dbraw/zinc/32/47/36/625324736.db2.gz UPCBNYGPLCWIAU-ZSAUSMIDSA-N 2 0 275.396 0.254 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148450 625343552 /nfs/dbraw/zinc/34/35/52/625343552.db2.gz KFXTXZJVOXQFBO-FAHYXWLWSA-N 2 0 275.396 0.539 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023291110 622985612 /nfs/dbraw/zinc/98/56/12/622985612.db2.gz FASCOFXYHCZUDR-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703740 623108665 /nfs/dbraw/zinc/10/86/65/623108665.db2.gz TWSCIWIGVSYVFG-OAHLLOKOSA-N 2 0 289.423 0.934 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)no1 ZINC000170911913 623813115 /nfs/dbraw/zinc/81/31/15/623813115.db2.gz BPHFXXLQGNZFDU-NSHDSACASA-N 2 0 265.361 0.872 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001021043496 624650211 /nfs/dbraw/zinc/65/02/11/624650211.db2.gz AKIGWUKIJXZKHT-JHJVBQTASA-N 2 0 251.374 0.751 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001022303874 624918496 /nfs/dbraw/zinc/91/84/96/624918496.db2.gz LPPOAWFJDMLRPK-UPJWGTAASA-N 2 0 274.368 0.868 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC001027515218 625932699 /nfs/dbraw/zinc/93/26/99/625932699.db2.gz XDLYFYIXUHCDEK-CQSZACIVSA-N 2 0 274.368 0.829 20 30 CCEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCSCC1 ZINC000262023899 631760590 /nfs/dbraw/zinc/76/05/90/631760590.db2.gz YVRJIBMUQRBMGZ-LLVKDONJSA-N 2 0 268.430 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC)C2)CC1 ZINC000985155351 632364676 /nfs/dbraw/zinc/36/46/76/632364676.db2.gz XBAXEEOPTOVONF-CTYIDZIISA-N 2 0 277.412 0.836 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])NC2CC2)CC1 ZINC000303369472 632485267 /nfs/dbraw/zinc/48/52/67/632485267.db2.gz JPBFVFSUXCPNKH-UHFFFAOYSA-N 2 0 253.394 0.081 20 30 CCEDRP CC(C)(CNC(=[NH2+])N1CCOCC1)[NH+]1CCCCC1 ZINC000303774475 632491972 /nfs/dbraw/zinc/49/19/72/632491972.db2.gz FXYRDKPYXBPRRD-UHFFFAOYSA-N 2 0 268.405 0.898 20 30 CCEDRP CC(C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303985581 632501952 /nfs/dbraw/zinc/50/19/52/632501952.db2.gz TVBGTRHCLSTHTB-UHFFFAOYSA-N 2 0 255.410 0.327 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)CCc2cncn2C)CC1 ZINC000985772465 632638929 /nfs/dbraw/zinc/63/89/29/632638929.db2.gz FEGGVWFKYWPOBF-UHFFFAOYSA-N 2 0 288.395 0.909 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC000987275241 632855024 /nfs/dbraw/zinc/85/50/24/632855024.db2.gz CODJCGFCCKHVGB-UKRRQHHQSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989388690 633206203 /nfs/dbraw/zinc/20/62/03/633206203.db2.gz GLARCJDVURRHGZ-JSGCOSHPSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cnc2C)C1 ZINC000989727876 633349792 /nfs/dbraw/zinc/34/97/92/633349792.db2.gz WUDVVBJNVJNLTH-CMPLNLGQSA-N 2 0 260.341 0.473 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001008539628 650119483 /nfs/dbraw/zinc/11/94/83/650119483.db2.gz LREHTCGUTKXHBA-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995551889 638776204 /nfs/dbraw/zinc/77/62/04/638776204.db2.gz OTZQTBPRXBEUPL-CHWSQXEVSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996518612 638821238 /nfs/dbraw/zinc/82/12/38/638821238.db2.gz FQCZREXCOLVEPI-ZDUSSCGKSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996516914 638821532 /nfs/dbraw/zinc/82/15/32/638821532.db2.gz CIYCSKMLBOBEAY-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998994060 638952996 /nfs/dbraw/zinc/95/29/96/638952996.db2.gz KGFYWDDITZCISY-JXQTWKCFSA-N 2 0 263.385 0.683 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001000923562 639195691 /nfs/dbraw/zinc/19/56/91/639195691.db2.gz BWZJYPKMKUTRFV-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP N#CC[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000809572870 640900094 /nfs/dbraw/zinc/90/00/94/640900094.db2.gz VKRAOBPDFUXQCR-CQSZACIVSA-N 2 0 267.373 0.305 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015994588 650671432 /nfs/dbraw/zinc/67/14/32/650671432.db2.gz JPTOPIYUMAHBMJ-STQMWFEESA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001015998883 650671953 /nfs/dbraw/zinc/67/19/53/650671953.db2.gz RFGLFAXFQXJTJO-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016001528 650672081 /nfs/dbraw/zinc/67/20/81/650672081.db2.gz KWOVJDPPAFFFRN-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000834484273 642574950 /nfs/dbraw/zinc/57/49/50/642574950.db2.gz GPEJEFQPILJKAM-KYKFVJMVSA-N 2 0 276.384 0.368 20 30 CCEDRP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485435 642577071 /nfs/dbraw/zinc/57/70/71/642577071.db2.gz XAWFGYNDWPHURA-UHTWSYAYSA-N 2 0 258.325 0.223 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000834505112 642591704 /nfs/dbraw/zinc/59/17/04/642591704.db2.gz IFLCGDPNUSLONF-KWCYVHTRSA-N 2 0 270.336 0.101 20 30 CCEDRP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016968552 650775109 /nfs/dbraw/zinc/77/51/09/650775109.db2.gz GJMSVZQDUPRQTJ-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000841849645 642843242 /nfs/dbraw/zinc/84/32/42/642843242.db2.gz DWWWJXNGBWHAPK-XBFCOCLRSA-N 2 0 270.336 0.101 20 30 CCEDRP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C ZINC001018268658 650851340 /nfs/dbraw/zinc/85/13/40/650851340.db2.gz BHCGSFZNNLMMQY-OKILXGFUSA-N 2 0 272.352 0.500 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852792964 644000177 /nfs/dbraw/zinc/00/01/77/644000177.db2.gz KJDBSDNXJXPXIX-GXTWGEPZSA-N 2 0 263.385 0.718 20 30 CCEDRP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC000852795370 644000728 /nfs/dbraw/zinc/00/07/28/644000728.db2.gz XRIUROFQDFWYQJ-GXTWGEPZSA-N 2 0 263.385 0.494 20 30 CCEDRP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000852859886 644027661 /nfs/dbraw/zinc/02/76/61/644027661.db2.gz DERQOOCOLNIMLB-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869243 644033620 /nfs/dbraw/zinc/03/36/20/644033620.db2.gz AAZDRMPCQDYJHV-CYBMUJFWSA-N 2 0 263.385 0.447 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168459 650943929 /nfs/dbraw/zinc/94/39/29/650943929.db2.gz DJQLVQUGJHUGDU-WJEHIRDRSA-N 2 0 291.395 0.226 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001019380746 650967914 /nfs/dbraw/zinc/96/79/14/650967914.db2.gz LHGDASQYEKTBFS-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000867963633 645689345 /nfs/dbraw/zinc/68/93/45/645689345.db2.gz HDGMRBKQAQAXCP-CJNGLKHVSA-N 2 0 298.390 0.861 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000867961296 645689731 /nfs/dbraw/zinc/68/97/31/645689731.db2.gz WCROBQABCXHDAM-GJZGRUSLSA-N 2 0 284.363 0.599 20 30 CCEDRP C[C@H](CC#N)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017389 645951395 /nfs/dbraw/zinc/95/13/95/645951395.db2.gz MJUPYLLNXMMNMU-MGPQQGTHSA-N 2 0 280.416 0.734 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508120 646614239 /nfs/dbraw/zinc/61/42/39/646614239.db2.gz IZIFLQZQIBGFNJ-DZGCQCFKSA-N 2 0 284.363 0.613 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967534 646709827 /nfs/dbraw/zinc/70/98/27/646709827.db2.gz HTPZKEKMSQFTHE-YAJUMTOWSA-N 2 0 296.374 0.695 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[C@@H]1CCC[NH2+]1)C2 ZINC000884300404 647701929 /nfs/dbraw/zinc/70/19/29/647701929.db2.gz ZCQVTUVJUFYAKP-WJEHIRDRSA-N 2 0 290.411 0.774 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000303771599 649824345 /nfs/dbraw/zinc/82/43/45/649824345.db2.gz CSVOIETUNRGRRO-OLZOCXBDSA-N 2 0 286.420 0.282 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000303869011 649825763 /nfs/dbraw/zinc/82/57/63/649825763.db2.gz ATWWZOUXTUFGSQ-UHFFFAOYSA-N 2 0 254.378 0.314 20 30 CCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000303908893 649826956 /nfs/dbraw/zinc/82/69/56/649826956.db2.gz XXMSFVNSVQJOLU-CQSZACIVSA-N 2 0 299.463 0.343 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303978935 649827649 /nfs/dbraw/zinc/82/76/49/649827649.db2.gz MQBFEGFYPKOHAH-LBPRGKRZSA-N 2 0 255.410 0.279 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)CCn1ccnc1)C1CC1 ZINC001266424883 790671858 /nfs/dbraw/zinc/67/18/58/790671858.db2.gz XBLQPVZTELLCOS-ZDUSSCGKSA-N 2 0 262.357 0.944 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)CCn1ccnc1)C1CC1 ZINC001266424882 790671894 /nfs/dbraw/zinc/67/18/94/790671894.db2.gz XBLQPVZTELLCOS-CYBMUJFWSA-N 2 0 262.357 0.944 20 30 CCEDRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001266725353 791190893 /nfs/dbraw/zinc/19/08/93/791190893.db2.gz DOPXZBCINRGWPS-HZSPNIEDSA-N 2 0 281.400 0.213 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267069320 791497148 /nfs/dbraw/zinc/49/71/48/791497148.db2.gz UJDJJLARMDFYSC-HNNXBMFYSA-N 2 0 293.411 0.170 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267121540 791563800 /nfs/dbraw/zinc/56/38/00/791563800.db2.gz CAZWUGAUMRDEPN-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267196247 791658446 /nfs/dbraw/zinc/65/84/46/791658446.db2.gz CQPMTZZRTTVDNH-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@@H]2C1 ZINC001277949655 806437232 /nfs/dbraw/zinc/43/72/32/806437232.db2.gz ZNRAKQDQUGSOLL-ZIAGYGMSSA-N 2 0 290.411 0.822 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001122296353 799190497 /nfs/dbraw/zinc/19/04/97/799190497.db2.gz OTIHZTWYQRNCCL-GFCCVEGCSA-N 2 0 264.373 0.656 20 30 CCEDRP CN(CC1CC[NH2+]CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001122563792 799263519 /nfs/dbraw/zinc/26/35/19/799263519.db2.gz GDROCQYTIVQMJE-GFCCVEGCSA-N 2 0 252.362 0.466 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001150587131 800349293 /nfs/dbraw/zinc/34/92/93/800349293.db2.gz FCWOOSZAEQSBBP-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716228 800362567 /nfs/dbraw/zinc/36/25/67/800362567.db2.gz PKSNWQVDVISCKW-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC[C@H](C)O)CC1 ZINC001152330233 800511027 /nfs/dbraw/zinc/51/10/27/800511027.db2.gz JSVNPWVASFYGTD-AWEZNQCLSA-N 2 0 295.427 0.198 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005777 800891066 /nfs/dbraw/zinc/89/10/66/800891066.db2.gz RMRNXBQUOHUUJB-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156403638 801161455 /nfs/dbraw/zinc/16/14/55/801161455.db2.gz LIORWXIYDFLCAC-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156901653 801258946 /nfs/dbraw/zinc/25/89/46/801258946.db2.gz RQCQNQOAVKLVJO-HUUCEWRRSA-N 2 0 297.443 0.967 20 30 CCEDRP CC1(C#N)CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157694480 801458053 /nfs/dbraw/zinc/45/80/53/801458053.db2.gz RJTQPWOWKRMINH-NSHDSACASA-N 2 0 262.357 0.233 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158866578 801717088 /nfs/dbraw/zinc/71/70/88/801717088.db2.gz RYTRNTUKVJVBRB-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159327471 801792849 /nfs/dbraw/zinc/79/28/49/801792849.db2.gz LPRYMKYAAQSBLN-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160667591 801993997 /nfs/dbraw/zinc/99/39/97/801993997.db2.gz JNIBURAQQDIQAU-NVXWUHKLSA-N 2 0 298.390 0.738 20 30 CCEDRP C=C(C)CN(CC)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160689821 802001992 /nfs/dbraw/zinc/00/19/92/802001992.db2.gz SPJULRFAXWZHHB-CYBMUJFWSA-N 2 0 268.405 0.161 20 30 CCEDRP C[C@H](C#N)N(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161144135 802100782 /nfs/dbraw/zinc/10/07/82/802100782.db2.gz IIWZTJNIVGGGJF-MNOVXSKESA-N 2 0 250.346 0.231 20 30 CCEDRP CC[C@@H](CC#N)N1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001255175573 808325791 /nfs/dbraw/zinc/32/57/91/808325791.db2.gz RFOODUCYFDLFJB-ZDUSSCGKSA-N 2 0 266.389 0.775 20 30 CCEDRP C=CC(NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)=[NH+]COC ZINC001163164488 802499375 /nfs/dbraw/zinc/49/93/75/802499375.db2.gz VUWGNKLKGPTVOC-UTUOFQBUSA-N 2 0 253.346 0.389 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232432 802509300 /nfs/dbraw/zinc/50/93/00/802509300.db2.gz VIAXSQKMZBYRBZ-HNNXBMFYSA-N 2 0 277.412 0.980 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001279791918 809997207 /nfs/dbraw/zinc/99/72/07/809997207.db2.gz LOYPIOQAPSYPAR-UHFFFAOYSA-N 2 0 283.416 0.457 20 30 CCEDRP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280172550 810008504 /nfs/dbraw/zinc/00/85/04/810008504.db2.gz HYWDXOSSTHZIQL-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C[NH+]1C[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]2C1 ZINC001165144342 802787957 /nfs/dbraw/zinc/78/79/57/802787957.db2.gz HXMKTKHVMLFSGN-KBPBESRZSA-N 2 0 297.406 0.987 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166694071 802940815 /nfs/dbraw/zinc/94/08/15/802940815.db2.gz VDIMBUQRLBRWEV-CHWSQXEVSA-N 2 0 251.374 0.303 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166764873 802959367 /nfs/dbraw/zinc/95/93/67/802959367.db2.gz LSDVCLOFNOKUNE-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166930773 802981850 /nfs/dbraw/zinc/98/18/50/802981850.db2.gz NDXGVRBTIBGIDA-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001205302931 803133644 /nfs/dbraw/zinc/13/36/44/803133644.db2.gz XZZAWVDUDVHZNW-MRXNPFEDSA-N 2 0 289.423 0.790 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001269401827 813358977 /nfs/dbraw/zinc/35/89/77/813358977.db2.gz GMQXIASQBJTOBL-KGLIPLIRSA-N 2 0 265.401 0.999 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875128 803297678 /nfs/dbraw/zinc/29/76/78/803297678.db2.gz WURNTHNNTKCVDU-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP CC#CC[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168162497 814766720 /nfs/dbraw/zinc/76/67/20/814766720.db2.gz MEWYQIPXTWOWBW-UHFFFAOYSA-N 2 0 277.412 0.982 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208062966 803484146 /nfs/dbraw/zinc/48/41/46/803484146.db2.gz HWVBKMRXWVGOCH-HOTGVXAUSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208335599 803507632 /nfs/dbraw/zinc/50/76/32/803507632.db2.gz WJDMKGIKTFPEKH-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211055105 803666528 /nfs/dbraw/zinc/66/65/28/803666528.db2.gz YOPNIGHTNQBFFJ-RBSFLKMASA-N 2 0 293.411 0.024 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211343598 803676941 /nfs/dbraw/zinc/67/69/41/803676941.db2.gz BNYNYJKBFKRSFS-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001272085917 814956398 /nfs/dbraw/zinc/95/63/98/814956398.db2.gz ZOTVTSIFDMYMBS-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216852146 803859695 /nfs/dbraw/zinc/85/96/95/803859695.db2.gz RBVLEXDRRZRDRQ-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851925 803860913 /nfs/dbraw/zinc/86/09/13/803860913.db2.gz LLSSUTFXEUXYEZ-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP Cc1cc(C#N)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])s1 ZINC001218553297 804002436 /nfs/dbraw/zinc/00/24/36/804002436.db2.gz AHYYJUCDIQJFDI-VIFPVBQESA-N 2 0 284.410 0.886 20 30 CCEDRP Cc1coc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1C#N ZINC001218764795 804114767 /nfs/dbraw/zinc/11/47/67/804114767.db2.gz PIHXHEUNAQJYIM-LLVKDONJSA-N 2 0 262.313 0.725 20 30 CCEDRP CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1C#N ZINC001218915132 804156173 /nfs/dbraw/zinc/15/61/73/804156173.db2.gz JQBIHFDYLMQPCC-GFCCVEGCSA-N 2 0 289.339 0.521 20 30 CCEDRP N#CC1(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1 ZINC001219632552 804381739 /nfs/dbraw/zinc/38/17/39/804381739.db2.gz OTHQBCZNFJKFFS-LBPRGKRZSA-N 2 0 276.384 0.671 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220816947 804672793 /nfs/dbraw/zinc/67/27/93/804672793.db2.gz INTVOQYQENSQAB-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCOCC[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001272151924 815031333 /nfs/dbraw/zinc/03/13/33/815031333.db2.gz IGYYBANIGNRBQI-UHFFFAOYSA-N 2 0 295.427 0.675 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947136 804853243 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C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246058910 807136534 /nfs/dbraw/zinc/13/65/34/807136534.db2.gz HRODHPGNIVIJEO-BFHYXJOUSA-N 2 0 254.374 0.624 20 30 CCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)Cc2cncn2C)C1 ZINC001278438887 807199058 /nfs/dbraw/zinc/19/90/58/807199058.db2.gz YIFJOVXMMHWHPT-CQSZACIVSA-N 2 0 262.357 0.729 20 30 CCEDRP N#Cc1cccc(OCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246324784 807221424 /nfs/dbraw/zinc/22/14/24/807221424.db2.gz HGLQJYZBQPRAHC-AWEZNQCLSA-N 2 0 286.379 0.621 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443481 807232416 /nfs/dbraw/zinc/23/24/16/807232416.db2.gz BBRIPCMTYYWVDT-OAHLLOKOSA-N 2 0 263.385 0.686 20 30 CCEDRP N#Cc1ccc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)nc1 ZINC001247831687 807493697 /nfs/dbraw/zinc/49/36/97/807493697.db2.gz BIJPABNIDITIJM-JTQLQIEISA-N 2 0 282.307 0.280 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CCC)CC1 ZINC001251880525 807731215 /nfs/dbraw/zinc/73/12/15/807731215.db2.gz BDQVTMMSKADXCM-CQSZACIVSA-N 2 0 254.374 0.461 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001251885082 807733546 /nfs/dbraw/zinc/73/35/46/807733546.db2.gz NISSUUVMXAWRKN-UONOGXRCSA-N 2 0 254.374 0.319 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001251893817 807738762 /nfs/dbraw/zinc/73/87/62/807738762.db2.gz KNNMYYXVQMSCKJ-MRXNPFEDSA-N 2 0 289.379 0.651 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC001251906738 807743712 /nfs/dbraw/zinc/74/37/12/807743712.db2.gz LGRWRQLKJFGWPE-YMAMQOFZSA-N 2 0 268.401 0.707 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252463223 807875521 /nfs/dbraw/zinc/87/55/21/807875521.db2.gz MYPOWFFKOXMXHU-OWCLPIDISA-N 2 0 297.443 0.260 20 30 CCEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001278718484 808054811 /nfs/dbraw/zinc/05/48/11/808054811.db2.gz LVYQBDIJDXWFDC-CQSZACIVSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728744 808077078 /nfs/dbraw/zinc/07/70/78/808077078.db2.gz SOTRYHUMGXLZNY-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001278761034 808177897 /nfs/dbraw/zinc/17/78/97/808177897.db2.gz ADSSBHABHLTYNS-SOUVJXGZSA-N 2 0 295.427 0.149 20 30 CCEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001278786441 808244403 /nfs/dbraw/zinc/24/44/03/808244403.db2.gz CQPZKYUFWAIWRQ-GOEBONIOSA-N 2 0 293.411 0.047 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001278803514 808273216 /nfs/dbraw/zinc/27/32/16/808273216.db2.gz ACYGGHPCNMWSRQ-STQMWFEESA-N 2 0 271.405 0.312 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278833679 808306983 /nfs/dbraw/zinc/30/69/83/808306983.db2.gz VWWABZSSGTUFTF-CYBMUJFWSA-N 2 0 269.389 0.067 20 30 CCEDRP C=CC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCOC ZINC001279045161 808635207 /nfs/dbraw/zinc/63/52/07/808635207.db2.gz QSAMMJKHACFEGM-OAHLLOKOSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001263842450 809585327 /nfs/dbraw/zinc/58/53/27/809585327.db2.gz TURBJVFKBOADIS-OKILXGFUSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001265357218 809763762 /nfs/dbraw/zinc/76/37/62/809763762.db2.gz WGLQQOBGAKPDTO-YUELXQCFSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)COC)CC1 ZINC001265870314 809881559 /nfs/dbraw/zinc/88/15/59/809881559.db2.gz NKPYXPHQAZARCG-ZIAGYGMSSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266005164 809916193 /nfs/dbraw/zinc/91/61/93/809916193.db2.gz SFSVEURDVWDFAR-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@H+](CC)CCCNC(=O)CC[NH+](C)C ZINC001266080583 809932437 /nfs/dbraw/zinc/93/24/37/809932437.db2.gz MVGMMMFDGUHIEN-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP C#CC[N@H+](CC)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001266109321 809937929 /nfs/dbraw/zinc/93/79/29/809937929.db2.gz TXXBBGOZQCVEEZ-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001279453067 809979769 /nfs/dbraw/zinc/97/97/69/809979769.db2.gz CNDMQTUPLJTZBV-CQSZACIVSA-N 2 0 294.443 0.294 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267303157 811122475 /nfs/dbraw/zinc/12/24/75/811122475.db2.gz KVOLDPFIWWWZEH-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023791 815434920 /nfs/dbraw/zinc/43/49/20/815434920.db2.gz SWAFVCUAOCSKKN-AAVRWANBSA-N 2 0 281.400 0.064 20 30 CCEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001279725402 811569650 /nfs/dbraw/zinc/56/96/50/811569650.db2.gz XOXVELBEXHDPQI-HNNXBMFYSA-N 2 0 295.427 0.295 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001077231228 815463996 /nfs/dbraw/zinc/46/39/96/815463996.db2.gz GVTSHKLAHBHLDS-ZIAGYGMSSA-N 2 0 286.335 0.524 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001267683108 811648317 /nfs/dbraw/zinc/64/83/17/811648317.db2.gz JNRNUECXXROVJE-CQSZACIVSA-N 2 0 265.401 0.742 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267693207 811658515 /nfs/dbraw/zinc/65/85/15/811658515.db2.gz WGHIPOMRGGLHKC-ZDUSSCGKSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001267964406 811900379 /nfs/dbraw/zinc/90/03/79/811900379.db2.gz SDONZDVMZNZMGP-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CC2)CCCC1 ZINC001268039227 812058687 /nfs/dbraw/zinc/05/86/87/812058687.db2.gz XDJOVUXXEYJZPK-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001268095108 812245053 /nfs/dbraw/zinc/24/50/53/812245053.db2.gz YANFBJHODKKXEB-CQSZACIVSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028094286 812273030 /nfs/dbraw/zinc/27/30/30/812273030.db2.gz WRKFACYWJUYNPD-GJZGRUSLSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001268239797 812404278 /nfs/dbraw/zinc/40/42/78/812404278.db2.gz RATSIWKJNIGYJD-CYBMUJFWSA-N 2 0 271.380 0.690 20 30 CCEDRP COCC#CCN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268246330 812412029 /nfs/dbraw/zinc/41/20/29/812412029.db2.gz YZOYDFJDIYTXJX-CQSZACIVSA-N 2 0 281.400 0.121 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207684815 812562256 /nfs/dbraw/zinc/56/22/56/812562256.db2.gz UGHFWEFCMZLUMA-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001028444906 812710108 /nfs/dbraw/zinc/71/01/08/812710108.db2.gz IGWWOAZOPDWDIW-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028545896 812834210 /nfs/dbraw/zinc/83/42/10/812834210.db2.gz UQYRWTCRKBRFHW-UKRRQHHQSA-N 2 0 277.412 0.952 20 30 CCEDRP C=CCC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001268612024 812947687 /nfs/dbraw/zinc/94/76/87/812947687.db2.gz CHBHYUCZWNBMGU-SNAWJCMRSA-N 2 0 263.385 0.920 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268755995 813069129 /nfs/dbraw/zinc/06/91/29/813069129.db2.gz GQLJNFIQFNMDMY-ZIAGYGMSSA-N 2 0 283.416 0.577 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001028636225 813072757 /nfs/dbraw/zinc/07/27/57/813072757.db2.gz MKZUEFQGFFZZAX-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776661 813486197 /nfs/dbraw/zinc/48/61/97/813486197.db2.gz RSVLHHJUDRJWMV-ZDUSSCGKSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270050148 813600667 /nfs/dbraw/zinc/60/06/67/813600667.db2.gz JMTCMHSVWPBFTF-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001270437128 813764631 /nfs/dbraw/zinc/76/46/31/813764631.db2.gz WNYNEEIROXOSHW-AWEZNQCLSA-N 2 0 297.443 0.873 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001272460583 816448291 /nfs/dbraw/zinc/44/82/91/816448291.db2.gz DJUKGGUKNCZDKO-AWEZNQCLSA-N 2 0 297.443 0.892 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257368 816492860 /nfs/dbraw/zinc/49/28/60/816492860.db2.gz XYAIJVWRINVUGO-CHWSQXEVSA-N 2 0 251.374 0.753 20 30 CCEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001272583506 816663859 /nfs/dbraw/zinc/66/38/59/816663859.db2.gz IEGSSSLPSBKKNI-GJZGRUSLSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666734 816844544 /nfs/dbraw/zinc/84/45/44/816844544.db2.gz SATFRYJNIGAROC-RRFJBIMHSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2cnc[nH]2)C1 ZINC001089868510 817574691 /nfs/dbraw/zinc/57/46/91/817574691.db2.gz CTDRAHGIVTXEHG-TUUVXOQKSA-N 2 0 298.390 0.754 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786368 817868866 /nfs/dbraw/zinc/86/88/66/817868866.db2.gz YXCSXGMJKRWSOQ-ZIAGYGMSSA-N 2 0 281.400 0.522 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675837 817979895 /nfs/dbraw/zinc/97/98/95/817979895.db2.gz ZZMXLJWZVVKRBO-RBSFLKMASA-N 2 0 295.427 0.598 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001032827223 818124966 /nfs/dbraw/zinc/12/49/66/818124966.db2.gz NECMYVTUCRFTLH-ILXRZTDVSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CCNC(=O)[C@@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001273030184 818483544 /nfs/dbraw/zinc/48/35/44/818483544.db2.gz MEWOYDRMEWJEHY-HNNXBMFYSA-N 2 0 289.423 0.838 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033471654 818784405 /nfs/dbraw/zinc/78/44/05/818784405.db2.gz NIQZHPHCILNUOZ-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001033681118 818883573 /nfs/dbraw/zinc/88/35/73/818883573.db2.gz RUQSTHRNIJSEHD-KGLIPLIRSA-N 2 0 281.400 0.426 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034042806 819042773 /nfs/dbraw/zinc/04/27/73/819042773.db2.gz PYZXLPPLCQNPEQ-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001034395644 819193412 /nfs/dbraw/zinc/19/34/12/819193412.db2.gz AKGMAXUOUCJITB-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034733453 819314168 /nfs/dbraw/zinc/31/41/68/819314168.db2.gz CJFCYMUHSALVNL-KKUMJFAQSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707929 820455777 /nfs/dbraw/zinc/45/57/77/820455777.db2.gz ZQHZUCQTRDKGBC-FVQBIDKESA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080447001 820577400 /nfs/dbraw/zinc/57/74/00/820577400.db2.gz UABFGJVKMPBMFZ-BFHYXJOUSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080782783 820631198 /nfs/dbraw/zinc/63/11/98/820631198.db2.gz BCLWAIILWHEVFH-QLFBSQMISA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787687 820639671 /nfs/dbraw/zinc/63/96/71/820639671.db2.gz NVKVFNGPHYYIRY-CHWSQXEVSA-N 2 0 263.385 0.705 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001082515772 820993102 /nfs/dbraw/zinc/99/31/02/820993102.db2.gz YFQLZHHDOUSTOH-BPLDGKMQSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923516 821064104 /nfs/dbraw/zinc/06/41/04/821064104.db2.gz NFSRVFBPPOPFPZ-QLFBSQMISA-N 2 0 293.411 0.024 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001085035308 821466537 /nfs/dbraw/zinc/46/65/37/821466537.db2.gz QEEFNBDIDLOTMA-ILXRZTDVSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842357 837565414 /nfs/dbraw/zinc/56/54/14/837565414.db2.gz WXQNATLKTNIOAM-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130202823 837732217 /nfs/dbraw/zinc/73/22/17/837732217.db2.gz AQRAVDXHTRBSFT-GFCCVEGCSA-N 2 0 257.378 0.235 20 30 CCEDRP C=CC(NCc1ncn2c1C[NH2+]CCC2)=[NH+]COC ZINC001169239956 836171394 /nfs/dbraw/zinc/17/13/94/836171394.db2.gz FIXNZHKGYCUXOO-UHFFFAOYSA-N 2 0 263.345 0.654 20 30 CCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132275 836727303 /nfs/dbraw/zinc/72/73/03/836727303.db2.gz RFYJXFLTWAIAPP-CABCVRRESA-N 2 0 297.443 0.844 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462175 836935341 /nfs/dbraw/zinc/93/53/41/836935341.db2.gz GFVYCKGHAYGTOU-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409744 838389591 /nfs/dbraw/zinc/38/95/91/838389591.db2.gz DNZREUDXLDAAFA-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848644 838505751 /nfs/dbraw/zinc/50/57/51/838505751.db2.gz NQIOGONEBXNGBT-CQSZACIVSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086697802 838522726 /nfs/dbraw/zinc/52/27/26/838522726.db2.gz VLKLRRPKWUMEEK-IMJJTQAJSA-N 2 0 289.423 0.836 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287323 838589989 /nfs/dbraw/zinc/58/99/89/838589989.db2.gz HJOLKSVIDWKBIV-UHFFFAOYSA-N 2 0 269.389 0.237 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133294347 838591033 /nfs/dbraw/zinc/59/10/33/838591033.db2.gz DVOOZYIYYSSSIB-UHFFFAOYSA-N 2 0 274.368 0.716 20 30 CCEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294964 838592397 /nfs/dbraw/zinc/59/23/97/838592397.db2.gz XYIKANHGWWKDIJ-UHFFFAOYSA-N 2 0 298.431 0.069 20 30 CCEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135743157 839387132 /nfs/dbraw/zinc/38/71/32/839387132.db2.gz GBCQTCLUNCOZDS-HUUCEWRRSA-N 2 0 297.443 0.851 20 30 CCEDRP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135928236 839472291 /nfs/dbraw/zinc/47/22/91/839472291.db2.gz RIZPSIWSGJISLO-KBPBESRZSA-N 2 0 283.416 0.461 20 30 CCEDRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(CC#N)c1 ZINC001170875367 839486868 /nfs/dbraw/zinc/48/68/68/839486868.db2.gz WJMGKLNMJKDFKM-CHWSQXEVSA-N 2 0 274.324 0.133 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090574773 839653126 /nfs/dbraw/zinc/65/31/26/839653126.db2.gz WZCYGSCXHXSYOX-UONOGXRCSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001185789145 844460185 /nfs/dbraw/zinc/46/01/85/844460185.db2.gz SNBLUCVBFBEJIE-ZIAGYGMSSA-N 2 0 274.368 0.591 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001136659924 839694397 /nfs/dbraw/zinc/69/43/97/839694397.db2.gz VUTFBPITJIGQQA-OAHLLOKOSA-N 2 0 295.427 0.864 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341136 840290054 /nfs/dbraw/zinc/29/00/54/840290054.db2.gz WJCMXWCLNAPZKK-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051274 840735770 /nfs/dbraw/zinc/73/57/70/840735770.db2.gz FZLZBICCFHAABS-UHFFFAOYSA-N 2 0 290.367 0.117 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604926 840844027 /nfs/dbraw/zinc/84/40/27/840844027.db2.gz KCWQFTXYSGAMOU-UHFFFAOYSA-N 2 0 293.411 0.122 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092198515 841001109 /nfs/dbraw/zinc/00/11/09/841001109.db2.gz PZZNJBARSWKXOL-INMHGKMJSA-N 2 0 289.423 0.742 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092274202 841004546 /nfs/dbraw/zinc/00/45/46/841004546.db2.gz CTKNTBHASJPSIY-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036811354 841244324 /nfs/dbraw/zinc/24/43/24/841244324.db2.gz PJEPADWMDBORKW-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302710 841914836 /nfs/dbraw/zinc/91/48/36/841914836.db2.gz PGGZNBDTKUTKGV-FZMZJTMJSA-N 2 0 275.352 0.827 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176058574 842319400 /nfs/dbraw/zinc/31/94/00/842319400.db2.gz YGIOYKSTSAZAOH-CYBMUJFWSA-N 2 0 269.389 0.237 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCCCC1 ZINC000691601555 842938555 /nfs/dbraw/zinc/93/85/55/842938555.db2.gz HUXIKIBYUHKUCK-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193782390 846152591 /nfs/dbraw/zinc/15/25/91/846152591.db2.gz YGRWSLLYWBSVKH-RBSFLKMASA-N 2 0 295.427 0.454 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001196500422 846766143 /nfs/dbraw/zinc/76/61/43/846766143.db2.gz UFBHVKGQXQJIRC-BFHYXJOUSA-N 2 0 290.367 0.019 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197492900 846917820 /nfs/dbraw/zinc/91/78/20/846917820.db2.gz ARGSPGZMIQOSKV-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001273886324 847730338 /nfs/dbraw/zinc/73/03/38/847730338.db2.gz UKQTXTMSAVQSME-HOCLYGCPSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276425 847758156 /nfs/dbraw/zinc/75/81/56/847758156.db2.gz HXRRNXWTBXIEDT-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409191 848051431 /nfs/dbraw/zinc/05/14/31/848051431.db2.gz HWCROKWEMBPVKT-YJNKXOJESA-N 2 0 275.396 0.396 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001275144354 848650959 /nfs/dbraw/zinc/65/09/59/848650959.db2.gz YLKVGUAQHBYRSJ-KBPBESRZSA-N 2 0 265.401 0.883 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114743048 849384188 /nfs/dbraw/zinc/38/41/88/849384188.db2.gz BHYJSOHCSPHYGP-IMRBUKKESA-N 2 0 251.374 0.561 20 30 CCEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038628591 849723147 /nfs/dbraw/zinc/72/31/47/849723147.db2.gz RMRPPWZZZOODCI-LSDHHAIUSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C(C)C)CC1 ZINC001039042018 850136415 /nfs/dbraw/zinc/13/64/15/850136415.db2.gz LEIGOBQVNCZUHH-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCOC)CC1 ZINC001039042844 850136572 /nfs/dbraw/zinc/13/65/72/850136572.db2.gz XTNDVFBOINHBNC-OAHLLOKOSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776301 851610933 /nfs/dbraw/zinc/61/09/33/851610933.db2.gz CYSMJTQLWBQXQO-OAHLLOKOSA-N 2 0 275.396 0.686 20 30 CCEDRP C#CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046926628 851646078 /nfs/dbraw/zinc/64/60/78/851646078.db2.gz UPEBJMVCFRGSJH-QWHCGFSZSA-N 2 0 299.365 0.787 20 30 CCEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047595961 851831209 /nfs/dbraw/zinc/83/12/09/851831209.db2.gz LQVXGFDNRTYJNL-IHRRRGAJSA-N 2 0 281.400 0.018 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047628998 851840560 /nfs/dbraw/zinc/84/05/60/851840560.db2.gz OCMFNTDKGIOUSI-RDBSUJKOSA-N 2 0 281.400 0.018 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059192 852149602 /nfs/dbraw/zinc/14/96/02/852149602.db2.gz CLVOAUPTCSXQAI-LVQVYYBASA-N 2 0 289.423 0.598 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386716 853743885 /nfs/dbraw/zinc/74/38/85/853743885.db2.gz QZWOMLHBPDJFIL-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CC[N@@H+](C)C2)CC1 ZINC001255441675 853961178 /nfs/dbraw/zinc/96/11/78/853961178.db2.gz QJUJCGWYQQNAIN-QGZVFWFLSA-N 2 0 292.471 0.982 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001098393805 854860688 /nfs/dbraw/zinc/86/06/88/854860688.db2.gz DDHQVGRSSXDZHY-YJNKXOJESA-N 2 0 275.396 0.683 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872516 855014314 /nfs/dbraw/zinc/01/43/14/855014314.db2.gz VIZKRIXLRUHEJB-KBPBESRZSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898832 855024363 /nfs/dbraw/zinc/02/43/63/855024363.db2.gz INQWLCAZEBXSGG-STQMWFEESA-N 2 0 283.416 0.454 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971681 855056171 /nfs/dbraw/zinc/05/61/71/855056171.db2.gz LAMQKQDQQJQDHR-UONOGXRCSA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100079962 855094280 /nfs/dbraw/zinc/09/42/80/855094280.db2.gz BFBFZUZHUUIZPZ-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081612 855095168 /nfs/dbraw/zinc/09/51/68/855095168.db2.gz VNDLIOMGIAQNJR-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100905049 855238474 /nfs/dbraw/zinc/23/84/74/855238474.db2.gz TYNWSIOILGACIR-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039594 855636960 /nfs/dbraw/zinc/63/69/60/855636960.db2.gz XOIOUEYLEAWHAZ-FOLVSLTJSA-N 2 0 293.411 0.330 20 30 CCEDRP C[C@H](CCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001119300371 856621504 /nfs/dbraw/zinc/62/15/04/856621504.db2.gz ZWJWUMOTXPXDFA-JJMZSNKZSA-N 2 0 264.373 0.369 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCF)CC2)CC1 ZINC001323617207 912449261 /nfs/dbraw/zinc/44/92/61/912449261.db2.gz TXHAUKLQFYPBNB-UHFFFAOYSA-N 2 0 281.375 0.540 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001324262289 912747333 /nfs/dbraw/zinc/74/73/33/912747333.db2.gz WSZSDIQYIYNCBZ-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001324668418 912972994 /nfs/dbraw/zinc/97/29/94/912972994.db2.gz FSLVZWZVGXTLQP-HNNXBMFYSA-N 2 0 265.401 0.932 20 30 CCEDRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC#CCOC ZINC001481845398 893209044 /nfs/dbraw/zinc/20/90/44/893209044.db2.gz GBCOPKHOZJUUKN-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001284515212 893596234 /nfs/dbraw/zinc/59/62/34/893596234.db2.gz BFRLEHQLSHLDHY-HUUCEWRRSA-N 2 0 295.427 0.103 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCC1 ZINC001482220379 893597098 /nfs/dbraw/zinc/59/70/98/893597098.db2.gz WULKNBLKRLCEKC-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001482433547 893978942 /nfs/dbraw/zinc/97/89/42/893978942.db2.gz KUJZZQRWHYZPLH-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001483340202 895480442 /nfs/dbraw/zinc/48/04/42/895480442.db2.gz PCHBFHJNXSGRFV-HZSPNIEDSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001483598986 895673244 /nfs/dbraw/zinc/67/32/44/895673244.db2.gz PAMJHKBTVLRDFS-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484844728 896634208 /nfs/dbraw/zinc/63/42/08/896634208.db2.gz HZOYEYANLWICTL-GDBMZVCRSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471183 897065776 /nfs/dbraw/zinc/06/57/76/897065776.db2.gz DLJPJKFOTFBSEB-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCN1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485532483 897113522 /nfs/dbraw/zinc/11/35/22/897113522.db2.gz HJNZZDFZSHIDFT-QWHCGFSZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486495314 898902428 /nfs/dbraw/zinc/90/24/28/898902428.db2.gz CNBVHSBRBJKUMP-HNNXBMFYSA-N 2 0 295.427 0.579 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001327059575 914345472 /nfs/dbraw/zinc/34/54/72/914345472.db2.gz JYZYEFAIUVNHAV-WOPDTQHZSA-N 2 0 250.346 0.360 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CCC)CCO1 ZINC001327063862 914349571 /nfs/dbraw/zinc/34/95/71/914349571.db2.gz KAPQIEOLJDXKIN-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390122 900012365 /nfs/dbraw/zinc/01/23/65/900012365.db2.gz NHHRDIOFEBPRPG-KGLIPLIRSA-N 2 0 263.385 0.637 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2ccnc2C)C1 ZINC001488794089 900391618 /nfs/dbraw/zinc/39/16/18/900391618.db2.gz LTYFZRZAWRECKE-BETUJISGSA-N 2 0 262.357 0.862 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490164471 900547069 /nfs/dbraw/zinc/54/70/69/900547069.db2.gz LUBVZPBYFQVBIR-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001491479109 903618727 /nfs/dbraw/zinc/61/87/27/903618727.db2.gz VLIYIVXCMGUNGE-LBPRGKRZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001280857246 903898760 /nfs/dbraw/zinc/89/87/60/903898760.db2.gz RBZQOLAWJUZGEM-UHFFFAOYSA-N 2 0 265.401 0.742 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001331323608 903973435 /nfs/dbraw/zinc/97/34/35/903973435.db2.gz FWJKYDOZKVKMET-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP COCC#CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC001327812580 914780448 /nfs/dbraw/zinc/78/04/48/914780448.db2.gz DPWLDRSRMMDVIH-UHFFFAOYSA-N 2 0 288.351 0.422 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001316618141 904430834 /nfs/dbraw/zinc/43/08/34/904430834.db2.gz OVUFKUIOXNCGRQ-HZSPNIEDSA-N 2 0 265.401 0.834 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001282412976 904469991 /nfs/dbraw/zinc/46/99/91/904469991.db2.gz OTHAOCHKUVQDNX-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001316623360 904652801 /nfs/dbraw/zinc/65/28/01/904652801.db2.gz UNTIIGVEIKEBBM-QLFBSQMISA-N 2 0 295.427 0.461 20 30 CCEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283556059 904906043 /nfs/dbraw/zinc/90/60/43/904906043.db2.gz KDGMGDCCOMJGCN-LSDHHAIUSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001284479718 905312657 /nfs/dbraw/zinc/31/26/57/905312657.db2.gz ZMHUYRAFPUNFMU-GJZGRUSLSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCOCC1 ZINC001337600928 921275292 /nfs/dbraw/zinc/27/52/92/921275292.db2.gz CCQXTGKZWJOLDY-UHFFFAOYSA-N 2 0 293.411 0.359 20 30 CCEDRP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[N@H+](C)C1CC1 ZINC001311899069 908572508 /nfs/dbraw/zinc/57/25/08/908572508.db2.gz GNTNHYCMXCCTFU-LBPRGKRZSA-N 2 0 266.389 0.333 20 30 CCEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001341643066 908643151 /nfs/dbraw/zinc/64/31/51/908643151.db2.gz LGJMZUZLLHXZFP-RWMBFGLXSA-N 2 0 264.373 0.335 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317116309 908989765 /nfs/dbraw/zinc/98/97/65/908989765.db2.gz JDEIRMVOGQMCFD-BETUJISGSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001317162126 909023205 /nfs/dbraw/zinc/02/32/05/909023205.db2.gz MEJYNGKPAAWYCE-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001317220641 909052156 /nfs/dbraw/zinc/05/21/56/909052156.db2.gz ZGSSGUMJFSZADW-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317328142 909145309 /nfs/dbraw/zinc/14/53/09/909145309.db2.gz YIPRLXBBFOWHMN-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317332428 909146616 /nfs/dbraw/zinc/14/66/16/909146616.db2.gz BWHHACSCDOIGQP-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CC)CC1 ZINC001318606560 909836548 /nfs/dbraw/zinc/83/65/48/909836548.db2.gz LTSKFJDYVRRCTC-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319902041 910340942 /nfs/dbraw/zinc/34/09/42/910340942.db2.gz CVYNHEJIGLTSCO-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320215197 910529672 /nfs/dbraw/zinc/52/96/72/910529672.db2.gz DJODOXCPLPHWDQ-CQSZACIVSA-N 2 0 297.443 0.894 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001323001626 912063514 /nfs/dbraw/zinc/06/35/14/912063514.db2.gz ZGYGYBJMRYRMDZ-BPLDGKMQSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001323014916 912070669 /nfs/dbraw/zinc/07/06/69/912070669.db2.gz LLUHUILEQFRLNQ-AWEZNQCLSA-N 2 0 263.385 0.588 20 30 CCEDRP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001329105681 915674723 /nfs/dbraw/zinc/67/47/23/915674723.db2.gz BGJQQQXRLMNRPT-OLZOCXBDSA-N 2 0 269.389 0.071 20 30 CCEDRP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330045725 916382418 /nfs/dbraw/zinc/38/24/18/916382418.db2.gz DOCCQJMHXODFOS-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1=CC[NH2+]CC1)C2 ZINC001331321980 917262201 /nfs/dbraw/zinc/26/22/01/917262201.db2.gz GYNPNHCCHHOKSR-OWYJLGKBSA-N 2 0 274.368 0.162 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H]1C ZINC001331927432 917722768 /nfs/dbraw/zinc/72/27/68/917722768.db2.gz BHIZGTLLOYKAHE-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332528999 918257697 /nfs/dbraw/zinc/25/76/97/918257697.db2.gz LAMIGGDGARUJEO-LSDHHAIUSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc(N)cc[nH+]1 ZINC001333273555 918763242 /nfs/dbraw/zinc/76/32/42/918763242.db2.gz SACKBACTDSZRNA-SNVBAGLBSA-N 2 0 254.721 0.750 20 30 CCEDRP CC[NH+]1CCN(CC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC001335350684 920137223 /nfs/dbraw/zinc/13/72/23/920137223.db2.gz HJJQPDSRMUPDLB-AWEZNQCLSA-N 2 0 263.389 0.657 20 30 CCEDRP C=C[C@@](C)(O)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001341514978 922526191 /nfs/dbraw/zinc/52/61/91/922526191.db2.gz JZKGOGNSTAXLAS-CQSZACIVSA-N 2 0 276.340 0.367 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC001341595199 922573253 /nfs/dbraw/zinc/57/32/53/922573253.db2.gz SZVSQFGHSVAFJY-OAHLLOKOSA-N 2 0 287.363 0.391 20 30 CCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001479680360 923397769 /nfs/dbraw/zinc/39/77/69/923397769.db2.gz SUFCVSYVNRZNFQ-OAHLLOKOSA-N 2 0 295.427 0.368 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC001344947014 923743897 /nfs/dbraw/zinc/74/38/97/923743897.db2.gz NOASSNRAXREAFI-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001345028072 923766552 /nfs/dbraw/zinc/76/65/52/923766552.db2.gz ULVNMCYESYBUBU-AWEZNQCLSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+]CC(=O)N(CC[NH3+])Cc1cccc(Cl)c1 ZINC001354644168 926144901 /nfs/dbraw/zinc/14/49/01/926144901.db2.gz HPPGAFKJFJPZGX-UHFFFAOYSA-N 2 0 279.771 0.850 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001357471268 926539768 /nfs/dbraw/zinc/53/97/68/926539768.db2.gz CUTAZUHWARHWPZ-RWMBFGLXSA-N 2 0 251.374 0.880 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)[C@@H]([NH3+])CCCC#N ZINC001358178001 926651228 /nfs/dbraw/zinc/65/12/28/926651228.db2.gz VNVCXQUPPFRSCI-YFKTTZPYSA-N 2 0 252.362 0.605 20 30 CCEDRP CC#CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000156608272 350632080 /nfs/dbraw/zinc/63/20/80/350632080.db2.gz ZTFXBMOOMMYGQQ-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000573914293 334976416 /nfs/dbraw/zinc/97/64/16/334976416.db2.gz XHPWYFYPILOVAJ-UYSNPLJNSA-N 2 0 294.443 0.514 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000592959547 360000992 /nfs/dbraw/zinc/00/09/92/360000992.db2.gz UMUQHPDUDBJIPQ-BFHYXJOUSA-N 2 0 294.399 0.065 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H](C)[NH2+]1 ZINC000594426672 360301242 /nfs/dbraw/zinc/30/12/42/360301242.db2.gz QRQDWGJRCLGNQF-UTUOFQBUSA-N 2 0 252.362 0.606 20 30 CCEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC000594435113 360304917 /nfs/dbraw/zinc/30/49/17/360304917.db2.gz ANZCKKQJLMTPAA-LLVKDONJSA-N 2 0 252.362 0.608 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445914 360312635 /nfs/dbraw/zinc/31/26/35/360312635.db2.gz NJAOKURLLKZLCN-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594457187 360318449 /nfs/dbraw/zinc/31/84/49/360318449.db2.gz VTEVKBMNSFTAEM-GHMZBOCLSA-N 2 0 254.378 0.887 20 30 CCEDRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595938343 360715574 /nfs/dbraw/zinc/71/55/74/360715574.db2.gz OOOMWOPPEITYOO-NEPJUHHUSA-N 2 0 266.389 0.997 20 30 CCEDRP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CN1CC[NH+](C)CC1 ZINC000598718517 361494402 /nfs/dbraw/zinc/49/44/02/361494402.db2.gz FRKLYMSVMMNFIW-GJZGRUSLSA-N 2 0 296.459 0.760 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598667208 361476046 /nfs/dbraw/zinc/47/60/46/361476046.db2.gz FYONIUPDQJROLP-OBJOEFQTSA-N 2 0 264.373 0.737 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCC[NH2+]CCC ZINC000491787441 332349791 /nfs/dbraw/zinc/34/97/91/332349791.db2.gz QMXJKLHJYRHNSX-UHFFFAOYSA-N 2 0 254.378 0.240 20 30 CCEDRP C=C(C)CS(=O)(=O)NCCN(C)CCC[NH+](C)C ZINC000657090786 412885991 /nfs/dbraw/zinc/88/59/91/412885991.db2.gz GXVPTEZSQSQDNW-UHFFFAOYSA-N 2 0 277.434 0.365 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303871356 389080823 /nfs/dbraw/zinc/08/08/23/389080823.db2.gz FVEDKGRZLLYYGU-UHFFFAOYSA-N 2 0 255.410 0.280 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123808166 389158243 /nfs/dbraw/zinc/15/82/43/389158243.db2.gz QKTUTEQMKWWGQA-ZDUSSCGKSA-N 2 0 276.384 0.977 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427270836 389680080 /nfs/dbraw/zinc/68/00/80/389680080.db2.gz YNHADIZABITALL-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](CC[NH3+])C2)C1=O ZINC000420303298 389980813 /nfs/dbraw/zinc/98/08/13/389980813.db2.gz CRJHYQVIQBAGMM-STQMWFEESA-N 2 0 251.374 0.834 20 30 CCEDRP CN1CCC[C@@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556197744 390476097 /nfs/dbraw/zinc/47/60/97/390476097.db2.gz MGJJOKAPPNIKFK-CYBMUJFWSA-N 2 0 270.340 0.785 20 30 CCEDRP C=CC[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000567680327 390710654 /nfs/dbraw/zinc/71/06/54/390710654.db2.gz WDYHSMHWWSQQNN-OAHLLOKOSA-N 2 0 267.417 0.682 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345418 412033826 /nfs/dbraw/zinc/03/38/26/412033826.db2.gz BHYAFSVFLPRRHF-MJBXVCDLSA-N 2 0 281.400 0.507 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000491810873 262086907 /nfs/dbraw/zinc/08/69/07/262086907.db2.gz ALXVMGJNAYIXQA-STQMWFEESA-N 2 0 266.389 0.320 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342113908 263388997 /nfs/dbraw/zinc/38/89/97/263388997.db2.gz WCTKMHDKEIURBT-WUHRBBMRSA-N 2 0 294.399 0.446 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330755301 264030375 /nfs/dbraw/zinc/03/03/75/264030375.db2.gz YUBNIHDCZHNKSJ-GFCCVEGCSA-N 2 0 296.415 0.865 20 30 CCEDRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000563705645 328483379 /nfs/dbraw/zinc/48/33/79/328483379.db2.gz FRGOJQMFMPEDCK-GFCCVEGCSA-N 2 0 252.362 0.560 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188760380 329373038 /nfs/dbraw/zinc/37/30/38/329373038.db2.gz LFZLRMCBYPRWMP-UHFFFAOYSA-N 2 0 289.383 0.436 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000262438558 330012896 /nfs/dbraw/zinc/01/28/96/330012896.db2.gz GXZTVWZAXVCLKN-NWDGAFQWSA-N 2 0 266.389 0.506 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262505426 330018547 /nfs/dbraw/zinc/01/85/47/330018547.db2.gz ZTLNMUVWQIXOMD-CHWSQXEVSA-N 2 0 284.404 0.133 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccn2)CCOCC1 ZINC000262545475 330020691 /nfs/dbraw/zinc/02/06/91/330020691.db2.gz UXUGEIGWPSXIRC-UHFFFAOYSA-N 2 0 277.372 0.919 20 30 CCEDRP CC[NH+]=C(NCC1(O)CCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262817487 330033740 /nfs/dbraw/zinc/03/37/40/330033740.db2.gz XGTIQOYHXGJQKB-AWEZNQCLSA-N 2 0 292.427 0.813 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCc2ccccc21 ZINC000262821831 330034206 /nfs/dbraw/zinc/03/42/06/330034206.db2.gz YMMDJKKVVHJXFI-OAHLLOKOSA-N 2 0 299.422 0.624 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424135257 330269473 /nfs/dbraw/zinc/26/94/73/330269473.db2.gz OPMKJAGRWMGITF-VXGBXAGGSA-N 2 0 252.362 0.464 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000424158935 330305777 /nfs/dbraw/zinc/30/57/77/330305777.db2.gz PGIFEOOLGABEIV-CYBMUJFWSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+](C)C1CC1 ZINC000424160826 330306293 /nfs/dbraw/zinc/30/62/93/330306293.db2.gz VBLDVEZUAHKOIZ-PWSUYJOCSA-N 2 0 252.362 0.606 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000490675594 332102425 /nfs/dbraw/zinc/10/24/25/332102425.db2.gz FQTQPNFIQFKIEM-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000490897873 332126746 /nfs/dbraw/zinc/12/67/46/332126746.db2.gz GHGQNBRKSVXRPP-UONOGXRCSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[NH+](C)CC1 ZINC000491430933 332210524 /nfs/dbraw/zinc/21/05/24/332210524.db2.gz ZRGVEFAOSMKBAU-UHFFFAOYSA-N 2 0 266.389 0.289 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000491464791 332216826 /nfs/dbraw/zinc/21/68/26/332216826.db2.gz TXEYBEQZAIEAJY-KBPBESRZSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(NCc1ccco1)=[NH+]C ZINC000491628269 332251519 /nfs/dbraw/zinc/25/15/19/332251519.db2.gz LVNKFVIEHXOHKQ-UHFFFAOYSA-N 2 0 262.357 0.900 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](CCC)CC1 ZINC000491677822 332282714 /nfs/dbraw/zinc/28/27/14/332282714.db2.gz ROGGUCWECSKDSV-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000491723945 332308667 /nfs/dbraw/zinc/30/86/67/332308667.db2.gz ACSDZYLQMCODQC-ZDUSSCGKSA-N 2 0 266.389 0.464 20 30 CCEDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000516762103 333082051 /nfs/dbraw/zinc/08/20/51/333082051.db2.gz UNGJNOWIKLXZPH-JKSUJKDBSA-N 2 0 296.459 0.760 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N(C)C1CC1 ZINC000305823017 649880945 /nfs/dbraw/zinc/88/09/45/649880945.db2.gz PQWNYZGYNGYWIV-GFCCVEGCSA-N 2 0 256.394 0.752 20 30 CCEDRP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1N=NC(N)=[NH2+] ZINC000734363349 581557419 /nfs/dbraw/zinc/55/74/19/581557419.db2.gz ZAVLIIPHMUHPFB-SNVBAGLBSA-N 2 0 260.345 0.762 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000774100605 581959783 /nfs/dbraw/zinc/95/97/83/581959783.db2.gz KCYVEYVMYUXAFU-CYBMUJFWSA-N 2 0 283.416 0.408 20 30 CCEDRP C#CC1(O)CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000931151465 612952187 /nfs/dbraw/zinc/95/21/87/612952187.db2.gz VUXBMZQDFFCGTD-UHFFFAOYSA-N 2 0 293.455 0.863 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000851660839 613075507 /nfs/dbraw/zinc/07/55/07/613075507.db2.gz AELMHVWNXPLRPV-UHFFFAOYSA-N 2 0 266.389 0.512 20 30 CCEDRP C#C[C@@H](CCC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000820639564 613084797 /nfs/dbraw/zinc/08/47/97/613084797.db2.gz DDVHGCXFPMZFTQ-AWEZNQCLSA-N 2 0 282.432 0.923 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866779 613388480 /nfs/dbraw/zinc/38/84/80/613388480.db2.gz XIELDKXJTNDIGA-SFYZADRCSA-N 2 0 267.707 0.570 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000911839936 612956463 /nfs/dbraw/zinc/95/64/63/612956463.db2.gz GOEIRTHBWCHSQC-UHFFFAOYSA-N 2 0 251.374 0.638 20 30 CCEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886572304 613068529 /nfs/dbraw/zinc/06/85/29/613068529.db2.gz HJGBFJBTVKFIMA-CQSZACIVSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629602 613089755 /nfs/dbraw/zinc/08/97/55/613089755.db2.gz WUENKNLOYHAWGO-AWEZNQCLSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000961561890 613315318 /nfs/dbraw/zinc/31/53/18/613315318.db2.gz XQNPVTJOENBWMQ-WCVJEAGWSA-N 2 0 289.423 0.788 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000907780949 613363730 /nfs/dbraw/zinc/36/37/30/613363730.db2.gz JRZSKDREUNPYDJ-OAHLLOKOSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000901227138 613364559 /nfs/dbraw/zinc/36/45/59/613364559.db2.gz BJTHKVJJFUSREA-OLZOCXBDSA-N 2 0 285.457 0.998 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](CCOC)CC1(C)C ZINC000846564565 613366112 /nfs/dbraw/zinc/36/61/12/613366112.db2.gz ZFGZLCKGKPPWPE-UHFFFAOYSA-N 2 0 283.416 0.673 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755050 613366224 /nfs/dbraw/zinc/36/62/24/613366224.db2.gz CXBFLAOAWSJNDG-KGLIPLIRSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000848025664 613366713 /nfs/dbraw/zinc/36/67/13/613366713.db2.gz ZAKZFRGQEJHQIZ-CYBMUJFWSA-N 2 0 271.405 0.313 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](C)CC1 ZINC000876742581 613387836 /nfs/dbraw/zinc/38/78/36/613387836.db2.gz ZBLIVGUOIAXEBI-LLVKDONJSA-N 2 0 259.781 0.914 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876756131 613674915 /nfs/dbraw/zinc/67/49/15/613674915.db2.gz ORYZEFWWKLWGCE-AAEUAGOBSA-N 2 0 269.364 0.701 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000960584630 613838701 /nfs/dbraw/zinc/83/87/01/613838701.db2.gz ZBIJXDBPRRTQME-RFQIPJPRSA-N 2 0 263.385 0.703 20 30 CCEDRP C=CCNC(=[NH2+])NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849042054 613844745 /nfs/dbraw/zinc/84/47/45/613844745.db2.gz WBZQIACCZNAZOH-UHFFFAOYSA-N 2 0 295.431 0.083 20 30 CCEDRP CCNC(NCCN1CC[N@H+](C)C(C)(C)C1)=[NH+]CC ZINC000849026505 614420538 /nfs/dbraw/zinc/42/05/38/614420538.db2.gz GTCQHHYBYMEGLV-UHFFFAOYSA-N 2 0 269.437 0.587 20 30 CCEDRP CCNC(N[C@H]1CC[N@H+](CC(C)(C)O)C1)=[NH+]CC ZINC000864358263 614420983 /nfs/dbraw/zinc/42/09/83/614420983.db2.gz QQEFJKMLNSREPI-NSHDSACASA-N 2 0 256.394 0.407 20 30 CCEDRP CC[NH2+][C@H](C)CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867972360 615129145 /nfs/dbraw/zinc/12/91/45/615129145.db2.gz XYHGWVYEBCPRRL-ABAIWWIYSA-N 2 0 286.379 0.859 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C[NH+](C)C ZINC000104153673 615144230 /nfs/dbraw/zinc/14/42/30/615144230.db2.gz QDYPCWDEQIOAEA-ZDUSSCGKSA-N 3 0 283.464 0.963 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000913522973 615857838 /nfs/dbraw/zinc/85/78/38/615857838.db2.gz HIEKKXZVLHSOCW-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C[NH+](C)CCOc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000841658445 615910481 /nfs/dbraw/zinc/91/04/81/615910481.db2.gz ATLUMWGIYUPJJO-UHFFFAOYSA-N 2 0 275.356 0.510 20 30 CCEDRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834494483 615955038 /nfs/dbraw/zinc/95/50/38/615955038.db2.gz NJGGPIFWOGOMRP-UONOGXRCSA-N 2 0 272.352 0.590 20 30 CCEDRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852872012 615992388 /nfs/dbraw/zinc/99/23/88/615992388.db2.gz ZXBVRTSSLZXBKT-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP C[N@H+](CCOCC[NH3+])C[C@H](O)COc1ccc(C#N)cc1 ZINC000923403419 616115952 /nfs/dbraw/zinc/11/59/52/616115952.db2.gz PNSWGIGLUKTGMN-AWEZNQCLSA-N 2 0 293.367 0.205 20 30 CCEDRP C[NH+]1CCC(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852863752 616168468 /nfs/dbraw/zinc/16/84/68/616168468.db2.gz YPSITOHJBOAKBE-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843459241 616972174 /nfs/dbraw/zinc/97/21/74/616972174.db2.gz CRGIRVOQOXBGES-OCCSQVGLSA-N 2 0 272.352 0.290 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026044901 625324512 /nfs/dbraw/zinc/32/45/12/625324512.db2.gz UPCBNYGPLCWIAU-SEBNEYGDSA-N 2 0 275.396 0.254 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001026495338 625462008 /nfs/dbraw/zinc/46/20/08/625462008.db2.gz TWVGLHXKSQDPEW-GPANFISMSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-n3ccnc3)ccn2)C1 ZINC001022929877 622855714 /nfs/dbraw/zinc/85/57/14/622855714.db2.gz WKNJYKSOUOFOAH-BETUJISGSA-N 2 0 295.346 0.751 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195523092 625620806 /nfs/dbraw/zinc/62/08/06/625620806.db2.gz NGACMPMYRZBVDV-STQMWFEESA-N 2 0 268.405 0.802 20 30 CCEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023744206 623124891 /nfs/dbraw/zinc/12/48/91/623124891.db2.gz KNWHZJYJPWLECB-ZIAGYGMSSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001024801296 623447578 /nfs/dbraw/zinc/44/75/78/623447578.db2.gz MFNCPALKQMANPP-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000170908008 623813039 /nfs/dbraw/zinc/81/30/39/623813039.db2.gz ZGWIZVSUTQJJRY-ZDUSSCGKSA-N 2 0 268.405 0.824 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001020585195 624542918 /nfs/dbraw/zinc/54/29/18/624542918.db2.gz LLYWOVHPYDYPPE-JHJVBQTASA-N 2 0 251.374 0.894 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120432 624876913 /nfs/dbraw/zinc/87/69/13/624876913.db2.gz MLHZKJVZWIRHCD-XGUBFFRZSA-N 2 0 293.411 0.663 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001022290802 624911374 /nfs/dbraw/zinc/91/13/74/624911374.db2.gz QDAPKHDJSLBZSG-XQQFMLRXSA-N 2 0 251.374 0.894 20 30 CCEDRP CN(C(=[NH2+])NCCCC[NH+]1CCOCC1)C1CC1 ZINC000305816602 632537721 /nfs/dbraw/zinc/53/77/21/632537721.db2.gz MNGNKMAVHAAPRT-UHFFFAOYSA-N 2 0 254.378 0.508 20 30 CCEDRP CC#CCN1CCCN(C(=O)Cn2ccnc2C)CC1 ZINC000989672872 633343638 /nfs/dbraw/zinc/34/36/38/633343638.db2.gz CAOCIQSEDBDTBA-UHFFFAOYSA-N 2 0 274.368 0.749 20 30 CCEDRP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)CCO3)CCC[C@H]12 ZINC000990120915 633449141 /nfs/dbraw/zinc/44/91/41/633449141.db2.gz KXOTZLFQKCSEON-IJEWVQPXSA-N 2 0 293.411 0.616 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992903818 637632715 /nfs/dbraw/zinc/63/27/15/637632715.db2.gz DECMQPGGCNAWPN-ARFHVFGLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996976256 638846846 /nfs/dbraw/zinc/84/68/46/638846846.db2.gz BWYSBNOEFMGGJI-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999710124 638994527 /nfs/dbraw/zinc/99/45/27/638994527.db2.gz RQAHJAIXQGPOFZ-UHFFFAOYSA-N 2 0 263.385 0.847 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001151674 639248537 /nfs/dbraw/zinc/24/85/37/639248537.db2.gz OAGRQZSOYBDHBT-GOEBONIOSA-N 2 0 289.423 0.956 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001006296545 640218599 /nfs/dbraw/zinc/21/85/99/640218599.db2.gz ZIUDXPRTOYPROI-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000848413005 643634256 /nfs/dbraw/zinc/63/42/56/643634256.db2.gz HUFYGYAHDQSFID-MJBXVCDLSA-N 2 0 294.399 0.377 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000848424634 643635467 /nfs/dbraw/zinc/63/54/67/643635467.db2.gz QXPFFCSJIAZEHM-HIFRSBDPSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852868669 644033437 /nfs/dbraw/zinc/03/34/37/644033437.db2.gz UJAAMZSXXQWSBZ-TZMCWYRMSA-N 2 0 263.385 0.588 20 30 CCEDRP C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000852889062 644043695 /nfs/dbraw/zinc/04/36/95/644043695.db2.gz BABJXVNBJWQMPI-JSGCOSHPSA-N 2 0 263.385 0.433 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1CC[NH3+] ZINC000852895632 644048251 /nfs/dbraw/zinc/04/82/51/644048251.db2.gz GEOHFXFDTSWHQA-HIFRSBDPSA-N 2 0 277.412 0.965 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001019229808 650949693 /nfs/dbraw/zinc/94/96/93/650949693.db2.gz AFFWSAATMBUQMS-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019574851 650989408 /nfs/dbraw/zinc/98/94/08/650989408.db2.gz WHAJGLVDOPSTQX-ZDUSSCGKSA-N 2 0 281.400 0.474 20 30 CCEDRP C[C@@H](CC[NH3+])NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876795418 646665939 /nfs/dbraw/zinc/66/59/39/646665939.db2.gz FUNSJMVJDJUMOF-HZMBPMFUSA-N 2 0 272.352 0.599 20 30 CCEDRP C[C@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCC[NH2+]C1 ZINC000884247237 647678709 /nfs/dbraw/zinc/67/87/09/647678709.db2.gz NOUIKDSJBNACSV-QSTLKDOJSA-N 2 0 290.411 0.632 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C2 ZINC000884267494 647688738 /nfs/dbraw/zinc/68/87/38/647688738.db2.gz GXYNLJWVNKTLRW-YGFYLSKRSA-N 2 0 276.384 0.512 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000884431500 647735943 /nfs/dbraw/zinc/73/59/43/647735943.db2.gz WADWUHMYDXPWGS-SBEAFCBVSA-N 2 0 288.395 0.527 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCCC[C@@H]([NH3+])C1)C2 ZINC000884449908 647741563 /nfs/dbraw/zinc/74/15/63/647741563.db2.gz RVKQDFDNHFQRON-MYMJJRTCSA-N 2 0 290.411 0.856 20 30 CCEDRP CNC(=[NH2+])NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081525655 649580655 /nfs/dbraw/zinc/58/06/55/649580655.db2.gz COPGXTCLDGKWSZ-UHFFFAOYSA-N 2 0 268.405 0.803 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303359111 649816570 /nfs/dbraw/zinc/81/65/70/649816570.db2.gz ASXUFNYBJUPPHL-ZDUSSCGKSA-N 2 0 269.437 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C)C ZINC000303708993 649823947 /nfs/dbraw/zinc/82/39/47/649823947.db2.gz NLXQTHZBYZVHTE-LBPRGKRZSA-N 3 0 255.410 0.327 20 30 CCEDRP CC(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303793600 649825581 /nfs/dbraw/zinc/82/55/81/649825581.db2.gz ZQZZIJJIKTZDAM-CYBMUJFWSA-N 2 0 270.421 0.904 20 30 CCEDRP CC[NH+](CC)[C@H](C)CNC(NCCN1CCOCC1)=[NH+]C ZINC000303892183 649826605 /nfs/dbraw/zinc/82/66/05/649826605.db2.gz NMBJIQQRHHUDKQ-CQSZACIVSA-N 2 0 299.463 0.214 20 30 CCEDRP CC(C)CCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000303910366 649826959 /nfs/dbraw/zinc/82/69/59/649826959.db2.gz YUMXZFSJLHMSQQ-UHFFFAOYSA-N 2 0 283.464 0.964 20 30 CCEDRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303972744 649827519 /nfs/dbraw/zinc/82/75/19/649827519.db2.gz GDUADQZYGOEMLV-CYBMUJFWSA-N 2 0 295.431 0.374 20 30 CCEDRP CCCC[N@H+](C)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000304694434 649837764 /nfs/dbraw/zinc/83/77/64/649837764.db2.gz FAVOAVWYYWDPSX-UHFFFAOYSA-N 2 0 299.463 0.216 20 30 CCEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCSCC2)C1 ZINC000304759680 649838240 /nfs/dbraw/zinc/83/82/40/649838240.db2.gz RLSOTTUIWQQCKO-NSHDSACASA-N 2 0 256.419 0.692 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000304762896 649838699 /nfs/dbraw/zinc/83/86/99/649838699.db2.gz WDWQHPYHAPTELU-NWDGAFQWSA-N 2 0 256.394 0.800 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230280335 805592258 /nfs/dbraw/zinc/59/22/58/805592258.db2.gz UMXDVWKBNMGBIS-ZIAGYGMSSA-N 2 0 265.401 0.977 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266323179 790505596 /nfs/dbraw/zinc/50/55/96/790505596.db2.gz WGDYODQAOFLVFT-ZIAGYGMSSA-N 2 0 283.391 0.880 20 30 CCEDRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC#CCOC)C1CC1)[NH+](C)C ZINC001266414869 790658981 /nfs/dbraw/zinc/65/89/81/790658981.db2.gz LGXBJHRUHZPDQF-HUUCEWRRSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001266439753 790708446 /nfs/dbraw/zinc/70/84/46/790708446.db2.gz WBHCTRQFKNMNPH-OLZOCXBDSA-N 2 0 253.390 0.997 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001266540346 790903572 /nfs/dbraw/zinc/90/35/72/790903572.db2.gz VBYKCXBLCJKYGO-LBPRGKRZSA-N 2 0 260.341 0.414 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N(CC)[C@H]2CCC[NH2+]C2)C1 ZINC001161329497 791103248 /nfs/dbraw/zinc/10/32/48/791103248.db2.gz DKUUVJKBKGPPLV-JSGCOSHPSA-N 2 0 251.374 0.895 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267130067 791576036 /nfs/dbraw/zinc/57/60/36/791576036.db2.gz CFEIXJZABRTKAL-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C[NH+](C)CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001120562113 798865821 /nfs/dbraw/zinc/86/58/21/798865821.db2.gz WMJAWKPDDHIUQB-CYBMUJFWSA-N 2 0 269.389 0.599 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001121928373 799097867 /nfs/dbraw/zinc/09/78/67/799097867.db2.gz NXMPVWFOMTWEMK-LSDHHAIUSA-N 2 0 296.459 0.670 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001122001368 799118422 /nfs/dbraw/zinc/11/84/22/799118422.db2.gz NUJWEHYFKDXIIK-BFHYXJOUSA-N 2 0 291.399 0.357 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1COC ZINC001122331528 799201404 /nfs/dbraw/zinc/20/14/04/799201404.db2.gz LHRZASWYWNGFBU-RYUDHWBXSA-N 2 0 255.362 0.117 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001122582235 799269397 /nfs/dbraw/zinc/26/93/97/799269397.db2.gz YHPQMSPCFUSAOD-MNOVXSKESA-N 2 0 259.781 0.962 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161227256 800214284 /nfs/dbraw/zinc/21/42/84/800214284.db2.gz VMBVSZBSEIRDHM-UHFFFAOYSA-N 2 0 253.390 0.836 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850944 800677877 /nfs/dbraw/zinc/67/78/77/800677877.db2.gz QEHFEROKSMHSDO-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP N#Cc1c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)ncc2c1CCC[NH2+]C2 ZINC001155637659 801027229 /nfs/dbraw/zinc/02/72/29/801027229.db2.gz VVQXMRHHFXIXRT-ILXRZTDVSA-N 2 0 299.378 0.530 20 30 CCEDRP CC1(C#N)CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001157694320 801458079 /nfs/dbraw/zinc/45/80/79/801458079.db2.gz RJTQPWOWKRMINH-LLVKDONJSA-N 2 0 262.357 0.233 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H]1C ZINC001278316551 806946071 /nfs/dbraw/zinc/94/60/71/806946071.db2.gz SUXXRLCWFGLUTN-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161138991 802099544 /nfs/dbraw/zinc/09/95/44/802099544.db2.gz IVKUCLOWVBFDCK-SRVKXCTJSA-N 2 0 280.347 0.323 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161501461 802166969 /nfs/dbraw/zinc/16/69/69/802166969.db2.gz YQEPOZRUNUYEAN-STQMWFEESA-N 2 0 281.400 0.636 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161860523 802232655 /nfs/dbraw/zinc/23/26/55/802232655.db2.gz WBVJQWRICLAANO-UHFFFAOYSA-N 2 0 256.309 0.677 20 30 CCEDRP C[NH+]1CCC(C#N)(Nc2cc(C3C[NH2+]C3)ncn2)CC1 ZINC001162231398 802292469 /nfs/dbraw/zinc/29/24/69/802292469.db2.gz QYTFZOCCXFCXGX-UHFFFAOYSA-N 2 0 272.356 0.563 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692413 802940036 /nfs/dbraw/zinc/94/00/36/802940036.db2.gz PHUZAWYONXUBLB-STQMWFEESA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCC[NH2+]CCCN(C)C(=O)Cn1ccnc1 ZINC001276411514 803029320 /nfs/dbraw/zinc/02/93/20/803029320.db2.gz QWEGWBVUMSZWMD-UHFFFAOYSA-N 2 0 250.346 0.897 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001205516342 803145811 /nfs/dbraw/zinc/14/58/11/803145811.db2.gz ZUKCKCZGLJBFNY-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOC(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442319 803402652 /nfs/dbraw/zinc/40/26/52/803402652.db2.gz YDVAIRYLYLMLTB-UHFFFAOYSA-N 2 0 267.373 0.926 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414162 803513416 /nfs/dbraw/zinc/51/34/16/803513416.db2.gz IXYMZLURAGOYDC-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434897 803514066 /nfs/dbraw/zinc/51/40/66/803514066.db2.gz HPPSMSUWTZRXOO-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001209643714 803619957 /nfs/dbraw/zinc/61/99/57/803619957.db2.gz VUILSQIYDNVWST-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001210493707 803652323 /nfs/dbraw/zinc/65/23/23/803652323.db2.gz NZPSSPVTNIQJHV-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211370154 803678272 /nfs/dbraw/zinc/67/82/72/803678272.db2.gz ZMPSZXYDZWPQEI-HUUCEWRRSA-N 2 0 297.443 0.966 20 30 CCEDRP CC#CCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213747704 803701543 /nfs/dbraw/zinc/70/15/43/803701543.db2.gz ORFYITWDKNYKGN-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001276707484 803712529 /nfs/dbraw/zinc/71/25/29/803712529.db2.gz HKLAHVACYSOWAH-XYYAHUGASA-N 2 0 251.374 0.418 20 30 CCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215462952 803811829 /nfs/dbraw/zinc/81/18/29/803811829.db2.gz CWXXYNLXDJTOGY-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1nnccc1C#N ZINC001218702672 804089058 /nfs/dbraw/zinc/08/90/58/804089058.db2.gz VKJHLXOXYFIQDK-JTQLQIEISA-N 2 0 262.317 0.004 20 30 CCEDRP C#Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1F ZINC001219383704 804294005 /nfs/dbraw/zinc/29/40/05/804294005.db2.gz AGMMNWUOYMJIBX-GFCCVEGCSA-N 2 0 273.311 0.555 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830493 804429246 /nfs/dbraw/zinc/42/92/46/804429246.db2.gz YCTSMZGFBIWTHY-ZNMIVQPWSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220831381 804677648 /nfs/dbraw/zinc/67/76/48/804677648.db2.gz XSQGBLSONKOGMM-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC001220885007 804689566 /nfs/dbraw/zinc/68/95/66/804689566.db2.gz VNZDUPXYCODWPX-KBPBESRZSA-N 2 0 272.352 0.296 20 30 CCEDRP CC[C@H](CC#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220898733 804697059 /nfs/dbraw/zinc/69/70/59/804697059.db2.gz UQDCRJJUSDECPR-NEPJUHHUSA-N 2 0 264.373 0.669 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001276821946 804797259 /nfs/dbraw/zinc/79/72/59/804797259.db2.gz VSMFNDPTMAMDEX-KGLIPLIRSA-N 2 0 283.416 0.718 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H](C[NH3+])c1cccc(OC)c1 ZINC001221405080 804806592 /nfs/dbraw/zinc/80/65/92/804806592.db2.gz PUYQEPUPETVBMX-JSGCOSHPSA-N 2 0 261.325 0.162 20 30 CCEDRP C[C@@H](CNC(=O)NCC#CC[NH+](C)C)[NH+]1CCCCC1 ZINC001224176225 805012985 /nfs/dbraw/zinc/01/29/85/805012985.db2.gz DSGQQFUHWRESDY-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP C=CCOC[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058913 807136541 /nfs/dbraw/zinc/13/65/41/807136541.db2.gz HRODHPGNIVIJEO-MGPQQGTHSA-N 2 0 254.374 0.624 20 30 CCEDRP [NH2+]=C(N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccc(F)cn1 ZINC001246219918 807191220 /nfs/dbraw/zinc/19/12/20/807191220.db2.gz ANORFXWLDGOKGA-SNVBAGLBSA-N 2 0 263.320 0.020 20 30 CCEDRP C#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001278437935 807197578 /nfs/dbraw/zinc/19/75/78/807197578.db2.gz KZFZOUCNZLDFNT-CQSZACIVSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H](C)CC[NH2+]C ZINC001246302944 807215348 /nfs/dbraw/zinc/21/53/48/807215348.db2.gz FYJBENZCTVTOIY-OLZOCXBDSA-N 2 0 271.405 0.801 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC[NH2+]1 ZINC001246313931 807219851 /nfs/dbraw/zinc/21/98/51/807219851.db2.gz FQUPMLWBRZDDNL-SKDRFNHKSA-N 2 0 260.341 0.631 20 30 CCEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001246513189 807270166 /nfs/dbraw/zinc/27/01/66/807270166.db2.gz QRUBNWCLOYLBJB-SRVKXCTJSA-N 2 0 252.362 0.512 20 30 CCEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001246578671 807299715 /nfs/dbraw/zinc/29/97/15/807299715.db2.gz HEKQDZSMTPJMRB-BYCMXARLSA-N 2 0 259.353 0.741 20 30 CCEDRP C=CCC[C@H](C)[NH+]1CCNCC[NH2+]CCNCC1 ZINC001246822078 807395811 /nfs/dbraw/zinc/39/58/11/807395811.db2.gz QWEGDFZZEUHESR-AWEZNQCLSA-N 2 0 254.422 0.426 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001278594630 807611377 /nfs/dbraw/zinc/61/13/77/807611377.db2.gz OMVNZYYWMFHQBZ-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP CC(C)(C)[NH2+]C[C@@H](O)CNC(=[NH2+])c1ccc(F)cn1 ZINC001253405320 808060225 /nfs/dbraw/zinc/06/02/25/808060225.db2.gz WCFBWYFEUPGXPC-JTQLQIEISA-N 2 0 268.336 0.675 20 30 CCEDRP C=C[C@@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001253568189 808082249 /nfs/dbraw/zinc/08/22/49/808082249.db2.gz XYJPJAOSRNFLID-CQSZACIVSA-N 2 0 255.406 0.493 20 30 CCEDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667548 808271727 /nfs/dbraw/zinc/27/17/27/808271727.db2.gz BKWITBUKZXMHCQ-ZIAGYGMSSA-N 2 0 250.390 0.858 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242753 815265977 /nfs/dbraw/zinc/26/59/77/815265977.db2.gz QJBBUOFNEUJVJC-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001263151470 809460396 /nfs/dbraw/zinc/46/03/96/809460396.db2.gz CJZLPOFJSZVBES-JTQLQIEISA-N 2 0 257.765 0.668 20 30 CCEDRP C[N@@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC001263274638 809501842 /nfs/dbraw/zinc/50/18/42/809501842.db2.gz HWQVRISANJDLEO-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457581 815298894 /nfs/dbraw/zinc/29/88/94/815298894.db2.gz JIOXDDJVMDGNHB-QLFBSQMISA-N 2 0 275.396 0.494 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001263842474 809585411 /nfs/dbraw/zinc/58/54/11/809585411.db2.gz UMTSEPCMPOUOBZ-BETUJISGSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001264693093 809672301 /nfs/dbraw/zinc/67/23/01/809672301.db2.gz CXRYTWNUXZNFLY-QLFBSQMISA-N 2 0 295.427 0.862 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(CC)CCO3)[C@@H]2C1 ZINC001076594325 815317124 /nfs/dbraw/zinc/31/71/24/815317124.db2.gz LTOFAACQWZDGPX-RRFJBIMHSA-N 2 0 293.411 0.426 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001265818178 809863132 /nfs/dbraw/zinc/86/31/32/809863132.db2.gz GCVROLYUBNRMOV-CYBMUJFWSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCOC)CC1 ZINC001265869911 809880625 /nfs/dbraw/zinc/88/06/25/809880625.db2.gz FKFANSNGTHJGTA-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265930633 809897589 /nfs/dbraw/zinc/89/75/89/809897589.db2.gz FXTXEFZWMGPKKX-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001267280210 811087363 /nfs/dbraw/zinc/08/73/63/811087363.db2.gz BJTOOJROCUKDSU-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001267337765 811173001 /nfs/dbraw/zinc/17/30/01/811173001.db2.gz IEQUPJXJQFXDJC-UHFFFAOYSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC ZINC001267989339 811930035 /nfs/dbraw/zinc/93/00/35/811930035.db2.gz KMZHOWGYKXPSCI-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268493315 812695913 /nfs/dbraw/zinc/69/59/13/812695913.db2.gz MKYZRQMXMYOXOI-OAHLLOKOSA-N 2 0 297.443 0.661 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268614780 812948711 /nfs/dbraw/zinc/94/87/11/812948711.db2.gz YHVJIPNQFGRMTD-GXMNPTEKSA-N 2 0 263.385 0.614 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001269097168 813214156 /nfs/dbraw/zinc/21/41/56/813214156.db2.gz SITJUURCTUFSHJ-ZDUSSCGKSA-N 2 0 251.374 0.540 20 30 CCEDRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC#CCOC ZINC001269460503 813379147 /nfs/dbraw/zinc/37/91/47/813379147.db2.gz ISKJXPRZXCMMQU-HNNXBMFYSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270050145 813601141 /nfs/dbraw/zinc/60/11/41/813601141.db2.gz JMTCMHSVWPBFTF-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270436470 813763452 /nfs/dbraw/zinc/76/34/52/813763452.db2.gz ODZMEWVWPFWGJB-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809166 814106361 /nfs/dbraw/zinc/10/63/61/814106361.db2.gz XAAQCEKTZHMGPD-QKPAOTATSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1CC ZINC001087726580 814198645 /nfs/dbraw/zinc/19/86/45/814198645.db2.gz LCACELLNEQXRHT-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271531123 814470003 /nfs/dbraw/zinc/47/00/03/814470003.db2.gz KXAWDYSFRIFGFU-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001088424874 814682173 /nfs/dbraw/zinc/68/21/73/814682173.db2.gz HVGLUNHTYNIHRI-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100901746 814760427 /nfs/dbraw/zinc/76/04/27/814760427.db2.gz MAOFLVHPRPYHBM-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980271 816202076 /nfs/dbraw/zinc/20/20/76/816202076.db2.gz CICNWSVLSRDHRH-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038831 816222095 /nfs/dbraw/zinc/22/20/95/816222095.db2.gz MQUTTYBFQNBCLQ-MCIONIFRSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299438 816285800 /nfs/dbraw/zinc/28/58/00/816285800.db2.gz BFFSWAWONBVLSN-LSDHHAIUSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001272425457 816415971 /nfs/dbraw/zinc/41/59/71/816415971.db2.gz MHKOTICYSSXLHQ-HZSPNIEDSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257366 816493196 /nfs/dbraw/zinc/49/31/96/816493196.db2.gz XWXMVRKKKFOQLK-HUUCEWRRSA-N 2 0 295.427 0.769 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479672 817151669 /nfs/dbraw/zinc/15/16/69/817151669.db2.gz DWORENWMLMXLSN-CYBMUJFWSA-N 2 0 251.374 0.610 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106982286 817570269 /nfs/dbraw/zinc/57/02/69/817570269.db2.gz HPDYTRFUQZEMSU-MGPQQGTHSA-N 2 0 265.401 0.808 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679332 817984613 /nfs/dbraw/zinc/98/46/13/817984613.db2.gz OVHFAVLYIHRBKR-RBSFLKMASA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685320 817991243 /nfs/dbraw/zinc/99/12/43/817991243.db2.gz KQSUKXAGVRSXCG-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033083251 818499427 /nfs/dbraw/zinc/49/94/27/818499427.db2.gz WJCAPBJTBARORW-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001034148845 819096652 /nfs/dbraw/zinc/09/66/52/819096652.db2.gz PBYOTHVMTVJEQI-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034733454 819313567 /nfs/dbraw/zinc/31/35/67/819313567.db2.gz CJFCYMUHSALVNL-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080934761 820658174 /nfs/dbraw/zinc/65/81/74/820658174.db2.gz AOGXUBDCHNFFQY-JHJVBQTASA-N 2 0 251.374 0.561 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935499 820658997 /nfs/dbraw/zinc/65/89/97/820658997.db2.gz XGKWEUPMITVICC-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095830 820893548 /nfs/dbraw/zinc/89/35/48/820893548.db2.gz KXUJUYKHSMRUCP-HUUCEWRRSA-N 2 0 293.411 0.167 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083954219 821166212 /nfs/dbraw/zinc/16/62/12/821166212.db2.gz PTIDKMSYARFBEO-KFWWJZLASA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871601 821467249 /nfs/dbraw/zinc/46/72/49/821467249.db2.gz HUKRFSYPIDJISZ-OLZOCXBDSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129839606 837572793 /nfs/dbraw/zinc/57/27/93/837572793.db2.gz CBLLHOSWXQKRFK-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231959 837736195 /nfs/dbraw/zinc/73/61/95/837736195.db2.gz LORAIRXFTGIOMG-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130421970 837789553 /nfs/dbraw/zinc/78/95/53/837789553.db2.gz RBNZMGANWVJXOC-GFCCVEGCSA-N 2 0 298.431 0.113 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108783886 836526993 /nfs/dbraw/zinc/52/69/93/836526993.db2.gz GATHLLALPBVYFH-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800845 836528818 /nfs/dbraw/zinc/52/88/18/836528818.db2.gz NCNBDZSNZQSGPI-KKUMJFAQSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108804451 836531078 /nfs/dbraw/zinc/53/10/78/836531078.db2.gz SHCSENBVQWOJRS-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980747 836753937 /nfs/dbraw/zinc/75/39/37/836753937.db2.gz YVNGWMZGXQIRRK-ILXRZTDVSA-N 2 0 293.411 0.309 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550491 836864205 /nfs/dbraw/zinc/86/42/05/836864205.db2.gz KFESHPYURVMYCL-IHRRRGAJSA-N 2 0 265.401 0.999 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525944 838128668 /nfs/dbraw/zinc/12/86/68/838128668.db2.gz RIBPHQDGMRPWLX-LXVYMNJGSA-N 2 0 299.802 0.308 20 30 CCEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681425 838173688 /nfs/dbraw/zinc/17/36/88/838173688.db2.gz BKVKALLXUJMBFA-GDBMZVCRSA-N 2 0 295.427 0.816 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790515 838219450 /nfs/dbraw/zinc/21/94/50/838219450.db2.gz OTHCVYKSZKMMIM-HNNXBMFYSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132264763 838349060 /nfs/dbraw/zinc/34/90/60/838349060.db2.gz BCMMLUHMFOBSFB-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272800 838352222 /nfs/dbraw/zinc/35/22/22/838352222.db2.gz BSPPTTVAFXBVTP-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133862607 838753721 /nfs/dbraw/zinc/75/37/21/838753721.db2.gz DPFKCMTWYSLTGK-STQMWFEESA-N 2 0 253.390 0.856 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780482 839073332 /nfs/dbraw/zinc/07/33/32/839073332.db2.gz IWTQITZNWIHHEE-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135096024 839160592 /nfs/dbraw/zinc/16/05/92/839160592.db2.gz ZAVKAYTXHDGZLG-HUUCEWRRSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135309293 839203118 /nfs/dbraw/zinc/20/31/18/839203118.db2.gz VASNQZGKPGQYMQ-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135316282 839209400 /nfs/dbraw/zinc/20/94/00/839209400.db2.gz SRFMTDBDHOHONC-GJZGRUSLSA-N 2 0 297.443 0.851 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135377965 839232657 /nfs/dbraw/zinc/23/26/57/839232657.db2.gz FVRXGFUFBCJFHO-QWHCGFSZSA-N 2 0 298.431 0.113 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135882672 839455135 /nfs/dbraw/zinc/45/51/35/839455135.db2.gz QXKJJEQLYVABPM-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP CCc1nc(C#N)c(C#N)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159788786 839580568 /nfs/dbraw/zinc/58/05/68/839580568.db2.gz LVLCRABWYPLNBN-LLVKDONJSA-N 2 0 259.317 0.218 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001185676297 844451720 /nfs/dbraw/zinc/45/17/20/844451720.db2.gz SYHXTBSNKISULJ-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215348 840126747 /nfs/dbraw/zinc/12/67/47/840126747.db2.gz ASHUVHDKYYWJMQ-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834962 840694811 /nfs/dbraw/zinc/69/48/11/840694811.db2.gz PCJOTFCCVCKVPV-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148160493 840753099 /nfs/dbraw/zinc/75/30/99/840753099.db2.gz JALXXQHJMJFBGJ-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176158526 842336795 /nfs/dbraw/zinc/33/67/95/842336795.db2.gz ZOVHLKYRMXFSLN-OAHLLOKOSA-N 2 0 297.443 0.853 20 30 CCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176574521 842387857 /nfs/dbraw/zinc/38/78/57/842387857.db2.gz SMNUULGRTYKAMK-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971552 842474042 /nfs/dbraw/zinc/47/40/42/842474042.db2.gz CQXXIPXJOCOAKY-UHFFFAOYSA-N 2 0 269.389 0.072 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176992431 842480326 /nfs/dbraw/zinc/48/03/26/842480326.db2.gz OZHVZUFGWOMNLR-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC#CCOC)[C@@H]1C)[NH+](C)C ZINC001179554071 843019703 /nfs/dbraw/zinc/01/97/03/843019703.db2.gz OFPDIMIWKDZUME-KKUMJFAQSA-N 2 0 295.427 0.555 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180125058 843108819 /nfs/dbraw/zinc/10/88/19/843108819.db2.gz ZTACKYFGPHOLDW-KKUMJFAQSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187321511 844691127 /nfs/dbraw/zinc/69/11/27/844691127.db2.gz BNKTZCFSOLIASJ-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196498102 846764825 /nfs/dbraw/zinc/76/48/25/846764825.db2.gz ASGUHOLFWHQJMM-MGPQQGTHSA-N 2 0 292.383 0.572 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001196498096 846765786 /nfs/dbraw/zinc/76/57/86/846765786.db2.gz APENVKUOVYPTGJ-MGPQQGTHSA-N 2 0 292.383 0.572 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001251891816 847359720 /nfs/dbraw/zinc/35/97/20/847359720.db2.gz ZUIUYDCCVUMTSQ-CYBMUJFWSA-N 2 0 252.358 0.073 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122706 847554309 /nfs/dbraw/zinc/55/43/09/847554309.db2.gz HXGGUJRAQQRMCC-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200124193 847554806 /nfs/dbraw/zinc/55/48/06/847554806.db2.gz ZPXCSDJODGQBQV-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335378 847770588 /nfs/dbraw/zinc/77/05/88/847770588.db2.gz NQJVHCXPXAVGQU-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCCO1 ZINC001201800741 847813028 /nfs/dbraw/zinc/81/30/28/847813028.db2.gz PCLOXCLPFBKVLN-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCOC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC001252451544 847971353 /nfs/dbraw/zinc/97/13/53/847971353.db2.gz RVROQSIJYAXADM-AWEZNQCLSA-N 2 0 256.390 0.871 20 30 CCEDRP C=CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001273958078 847972207 /nfs/dbraw/zinc/97/22/07/847972207.db2.gz HJVJHSMYEHROAP-CYBMUJFWSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001274105172 848349696 /nfs/dbraw/zinc/34/96/96/848349696.db2.gz HEFBKANZQJNDJN-ISZGNANSSA-N 2 0 263.385 0.756 20 30 CCEDRP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614106 848523497 /nfs/dbraw/zinc/52/34/97/848523497.db2.gz BBZGVANRGWRKPD-HZPDHXFCSA-N 2 0 295.427 0.409 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001275023212 848616272 /nfs/dbraw/zinc/61/62/72/848616272.db2.gz RDQQDCLYIVLUAG-UONOGXRCSA-N 2 0 283.416 0.625 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001275284839 848686019 /nfs/dbraw/zinc/68/60/19/848686019.db2.gz STFBCCHVPUFKAV-NFOMZHRRSA-N 2 0 277.412 0.836 20 30 CCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275415689 848715558 /nfs/dbraw/zinc/71/55/58/848715558.db2.gz QRZZDKLDUJMKJP-ZIAGYGMSSA-N 2 0 295.427 0.603 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275915681 848865007 /nfs/dbraw/zinc/86/50/07/848865007.db2.gz OURMKZOUSMSGCO-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001275977131 848879742 /nfs/dbraw/zinc/87/97/42/848879742.db2.gz NJBUGKBJGDGKCD-STQMWFEESA-N 2 0 253.390 0.786 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794333 849397206 /nfs/dbraw/zinc/39/72/06/849397206.db2.gz GSZWEKZEFIMMOR-CBBWQLFWSA-N 2 0 277.412 0.642 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216072 850598215 /nfs/dbraw/zinc/59/82/15/850598215.db2.gz LGQCABVGCHOFAL-ZBFHGGJFSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323048 851466175 /nfs/dbraw/zinc/46/61/75/851466175.db2.gz FLVGWYASSCBBER-ZBFHGGJFSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324195 851717249 /nfs/dbraw/zinc/71/72/49/851717249.db2.gz LICVXTAWTPHLOY-RDBSUJKOSA-N 2 0 281.400 0.160 20 30 CCEDRP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356653 851952139 /nfs/dbraw/zinc/95/21/39/851952139.db2.gz WCTXUUHSYRLBRJ-ILXRZTDVSA-N 2 0 287.407 0.827 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875783 852093591 /nfs/dbraw/zinc/09/35/91/852093591.db2.gz NMKAAHIRLXRAEO-ZNMIVQPWSA-N 2 0 277.412 0.596 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059756 852152914 /nfs/dbraw/zinc/15/29/14/852152914.db2.gz FWQDFHWGICPXQV-APIJFGDWSA-N 2 0 277.412 0.760 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170640 852182903 /nfs/dbraw/zinc/18/29/03/852182903.db2.gz AFWQPJDVLJJDFA-HRCADAONSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049212228 852193711 /nfs/dbraw/zinc/19/37/11/852193711.db2.gz AEWJKWDSOZDFNS-KFWWJZLASA-N 2 0 275.396 0.352 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392186 852255445 /nfs/dbraw/zinc/25/54/45/852255445.db2.gz VVDONHDEEFFCGR-KFWWJZLASA-N 2 0 293.411 0.568 20 30 CCEDRP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052932266 852671719 /nfs/dbraw/zinc/67/17/19/852671719.db2.gz KPXXLLZZHVQGQL-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139736 853322359 /nfs/dbraw/zinc/32/23/59/853322359.db2.gz FQUYWTSTPFBWPI-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073890542 854659390 /nfs/dbraw/zinc/65/93/90/854659390.db2.gz GBVYLCJAWMPBQM-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001075038947 854808149 /nfs/dbraw/zinc/80/81/49/854808149.db2.gz LZEWMTRYZUSOFS-IHRRRGAJSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099875069 855016155 /nfs/dbraw/zinc/01/61/55/855016155.db2.gz VDHOBNZCPYUGQQ-KGLIPLIRSA-N 2 0 293.411 0.045 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878941 855016804 /nfs/dbraw/zinc/01/68/04/855016804.db2.gz BVDMYUCWCKUIQO-GJZGRUSLSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898583 855024195 /nfs/dbraw/zinc/02/41/95/855024195.db2.gz DQYBJHDEEWQCRA-UONOGXRCSA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986480 855061437 /nfs/dbraw/zinc/06/14/37/855061437.db2.gz LLFZINHRPZNNCE-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016997 855071964 /nfs/dbraw/zinc/07/19/64/855071964.db2.gz CMPFDFLKSGKYQE-UONOGXRCSA-N 2 0 292.383 0.470 20 30 CCEDRP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100065215 855089614 /nfs/dbraw/zinc/08/96/14/855089614.db2.gz ZJPRBDPXMJEYRR-QWHCGFSZSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100407569 855161718 /nfs/dbraw/zinc/16/17/18/855161718.db2.gz BBLURBPXDZNECG-UBHUBRDASA-N 2 0 263.385 0.444 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100896944 855235851 /nfs/dbraw/zinc/23/58/51/855235851.db2.gz SJMDXOHVONGINY-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001118061246 856151095 /nfs/dbraw/zinc/15/10/95/856151095.db2.gz RCHQJTMBVLZYPT-YUMQZZPRSA-N 2 0 266.267 0.403 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118138133 856174030 /nfs/dbraw/zinc/17/40/30/856174030.db2.gz UVUAYWNDPWIWPR-ZDUSSCGKSA-N 2 0 278.400 1.000 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001118217203 856207173 /nfs/dbraw/zinc/20/71/73/856207173.db2.gz ZRTQFYGFUFFZOE-CYBMUJFWSA-N 2 0 282.388 0.236 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001118216732 856208322 /nfs/dbraw/zinc/20/83/22/856208322.db2.gz ONWMZYXNSPDXSP-CQSZACIVSA-N 2 0 294.399 0.331 20 30 CCEDRP C#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816248 912253773 /nfs/dbraw/zinc/25/37/73/912253773.db2.gz DTBWDAJFXBLJTG-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH+]1CCC(N(CC#C)C(=O)CC[NH+](C)C)CC1 ZINC001324419593 912838280 /nfs/dbraw/zinc/83/82/80/912838280.db2.gz CPCQMCLLZKTYBI-UHFFFAOYSA-N 2 0 289.423 0.888 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001481008630 892051028 /nfs/dbraw/zinc/05/10/28/892051028.db2.gz TUYUIQLKGQZJIR-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481655192 892973913 /nfs/dbraw/zinc/97/39/13/892973913.db2.gz SJPHTYCEQMNXFD-GFCCVEGCSA-N 2 0 251.374 0.562 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481659036 892977193 /nfs/dbraw/zinc/97/71/93/892977193.db2.gz WTWVXUNLZIPYBS-CQSZACIVSA-N 2 0 295.427 0.579 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001326134160 913764991 /nfs/dbraw/zinc/76/49/91/913764991.db2.gz BJFGPLKOAUJADC-GJZGRUSLSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001482137200 893431397 /nfs/dbraw/zinc/43/13/97/893431397.db2.gz UZEQKLVIANDQRT-IHRRRGAJSA-N 2 0 265.401 0.692 20 30 CCEDRP COCC#CC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482571773 894257222 /nfs/dbraw/zinc/25/72/22/894257222.db2.gz VBQXIKMEDHJDDI-HNNXBMFYSA-N 2 0 295.427 0.462 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001482737644 894554278 /nfs/dbraw/zinc/55/42/78/894554278.db2.gz QVRYJHWRBWJLAJ-CYBMUJFWSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380369 895522555 /nfs/dbraw/zinc/52/25/55/895522555.db2.gz HZRAKNUWGXCCAT-QWHCGFSZSA-N 2 0 253.390 0.642 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001483781081 896050639 /nfs/dbraw/zinc/05/06/39/896050639.db2.gz GLXMRFUOPGMNLR-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001484692991 896540318 /nfs/dbraw/zinc/54/03/18/896540318.db2.gz AAAIFGZVOVBYGA-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001484950016 896678780 /nfs/dbraw/zinc/67/87/80/896678780.db2.gz QXGQYDBPMIEIHX-CQSZACIVSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485303018 896944465 /nfs/dbraw/zinc/94/44/65/896944465.db2.gz OYGKDEDVULPBGJ-OCCSQVGLSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001485705766 897186587 /nfs/dbraw/zinc/18/65/87/897186587.db2.gz XWIACRUXBTYMGG-AJNGGQMLSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954631 897588764 /nfs/dbraw/zinc/58/87/64/897588764.db2.gz TZOCXILNXNJZPD-FMKPAKJESA-N 2 0 295.427 0.720 20 30 CCEDRP N#Cc1ccnc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205240636 897726315 /nfs/dbraw/zinc/72/63/15/897726315.db2.gz MMSSNHMZGZRDMI-AWEZNQCLSA-N 2 0 260.341 0.629 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001280629292 899929454 /nfs/dbraw/zinc/92/94/54/899929454.db2.gz OEEUBMXKZZYQAG-HNNXBMFYSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491072239 903332919 /nfs/dbraw/zinc/33/29/19/903332919.db2.gz QPXMVRGCAAUXEW-XQQFMLRXSA-N 2 0 251.374 0.587 20 30 CCEDRP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001491556566 903927177 /nfs/dbraw/zinc/92/71/77/903927177.db2.gz AJGAVLOKRSKPEX-DZGCQCFKSA-N 2 0 295.427 0.910 20 30 CCEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001280882987 903973556 /nfs/dbraw/zinc/97/35/56/903973556.db2.gz BLNSRRDFXGIGSI-ZDUSSCGKSA-N 2 0 253.390 0.904 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001281459079 904288705 /nfs/dbraw/zinc/28/87/05/904288705.db2.gz SQSSBNMTFLPUDX-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001281634678 904316097 /nfs/dbraw/zinc/31/60/97/904316097.db2.gz NIYPZNSPCOATCU-CQSZACIVSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001284520762 905353113 /nfs/dbraw/zinc/35/31/13/905353113.db2.gz XXIIOKAORVTVGQ-AWEZNQCLSA-N 2 0 283.416 0.101 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)COCc1ccccc1F ZINC001335968278 907126554 /nfs/dbraw/zinc/12/65/54/907126554.db2.gz AEFRKMUIYXPISH-OAHLLOKOSA-N 2 0 294.370 0.858 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001491812110 907613774 /nfs/dbraw/zinc/61/37/74/907613774.db2.gz ISSHXXGNIJGGIS-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492110549 907705506 /nfs/dbraw/zinc/70/55/06/907705506.db2.gz JVFHHXPNLMMBKI-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317490067 908496417 /nfs/dbraw/zinc/49/64/17/908496417.db2.gz MCMCTRHEMVGHIZ-CQSZACIVSA-N 2 0 283.416 0.579 20 30 CCEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001316746759 908763606 /nfs/dbraw/zinc/76/36/06/908763606.db2.gz FWNNIXQEPMVRDV-OAHLLOKOSA-N 2 0 293.411 0.001 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001317011640 908916511 /nfs/dbraw/zinc/91/65/11/908916511.db2.gz OUZJRITZGGJACA-KGLIPLIRSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317066699 908956574 /nfs/dbraw/zinc/95/65/74/908956574.db2.gz BMZCVCKJQMICGY-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001317243962 909082064 /nfs/dbraw/zinc/08/20/64/909082064.db2.gz DHQOSSAFTWKKDX-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001317252904 909093101 /nfs/dbraw/zinc/09/31/01/909093101.db2.gz NJQPCPMFZFUUKY-ZDUSSCGKSA-N 2 0 297.362 0.999 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317344034 909150631 /nfs/dbraw/zinc/15/06/31/909150631.db2.gz OAUHCAWOJXVKLM-CYBMUJFWSA-N 2 0 261.369 0.154 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317404317 909179116 /nfs/dbraw/zinc/17/91/16/909179116.db2.gz QXQQKFYRKCKEOA-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001317531174 909296958 /nfs/dbraw/zinc/29/69/58/909296958.db2.gz RZVHEMPFWFPPPB-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001317644431 909438872 /nfs/dbraw/zinc/43/88/72/909438872.db2.gz XHRCHDCLGUYAET-UHFFFAOYSA-N 2 0 291.399 0.130 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317811772 909509294 /nfs/dbraw/zinc/50/92/94/909509294.db2.gz QLZQUZNVYKQTMU-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001318273447 909685963 /nfs/dbraw/zinc/68/59/63/909685963.db2.gz SGNXPSXOEIYIST-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318351562 909723854 /nfs/dbraw/zinc/72/38/54/909723854.db2.gz NIZFYQSXWWMWPW-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001318570753 909818764 /nfs/dbraw/zinc/81/87/64/909818764.db2.gz QMQWKRHZCOTHQC-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH2+][C@H](CC)CNC(=O)C12CC[NH+](CC1)C2 ZINC001318596427 909830783 /nfs/dbraw/zinc/83/07/83/909830783.db2.gz ULYAVVSRISEILC-GFCCVEGCSA-N 2 0 251.374 0.753 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319168115 910016383 /nfs/dbraw/zinc/01/63/83/910016383.db2.gz RYKRIAFVWWJNQJ-KBPBESRZSA-N 2 0 281.400 0.072 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320216438 910528276 /nfs/dbraw/zinc/52/82/76/910528276.db2.gz KKQYVDIGXSMKNO-UONOGXRCSA-N 2 0 283.416 0.502 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001320242654 910552064 /nfs/dbraw/zinc/55/20/64/910552064.db2.gz OWHCIHSNOMKRGD-LSDHHAIUSA-N 2 0 297.443 0.750 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001320316314 910605598 /nfs/dbraw/zinc/60/55/98/910605598.db2.gz MSRCYGIDFBIHKF-HUUCEWRRSA-N 2 0 297.443 0.750 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001320316313 910605892 /nfs/dbraw/zinc/60/58/92/910605892.db2.gz MSRCYGIDFBIHKF-GJZGRUSLSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001322530264 911847559 /nfs/dbraw/zinc/84/75/59/911847559.db2.gz GCYVIEJLEOQIQS-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001328906093 915509455 /nfs/dbraw/zinc/50/94/55/915509455.db2.gz ZSOILZVNYMBRIM-UHFFFAOYSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330428183 916624420 /nfs/dbraw/zinc/62/44/20/916624420.db2.gz LQKNSISXVMDRCW-QWHCGFSZSA-N 2 0 269.389 0.330 20 30 CCEDRP C=CC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001330585617 916719601 /nfs/dbraw/zinc/71/96/01/916719601.db2.gz YSLOQGSUUPIUSP-CYBMUJFWSA-N 2 0 251.374 0.706 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001330609932 916739945 /nfs/dbraw/zinc/73/99/45/916739945.db2.gz JBCGRPHQXUYAGJ-HDJSIYSDSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330976052 916999480 /nfs/dbraw/zinc/99/94/80/916999480.db2.gz DRQQLDJSPPMXBY-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[N@H+](C)CCOCCNC(=O)Cc1[nH]cnc1C ZINC001331160247 917138390 /nfs/dbraw/zinc/13/83/90/917138390.db2.gz AMYPLQPNKTZEIX-UHFFFAOYSA-N 2 0 292.383 0.349 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H]1C ZINC001331927433 917721200 /nfs/dbraw/zinc/72/12/00/917721200.db2.gz BHIZGTLLOYKAHE-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC2)C1 ZINC001332407500 918132523 /nfs/dbraw/zinc/13/25/23/918132523.db2.gz DWMDHLNCJVJUCA-OAHLLOKOSA-N 2 0 292.427 0.869 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC(F)(F)F ZINC001333657137 919075827 /nfs/dbraw/zinc/07/58/27/919075827.db2.gz NFUDSKQVTSTLMC-VIFPVBQESA-N 2 0 280.294 0.747 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406249610 919135388 /nfs/dbraw/zinc/13/53/88/919135388.db2.gz ULQFBJYRPOLYNQ-RYUDHWBXSA-N 2 0 289.807 0.290 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC001340240526 922022776 /nfs/dbraw/zinc/02/27/76/922022776.db2.gz JHDYDIGSYPRVHC-CQSZACIVSA-N 2 0 282.432 0.424 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC001340887515 922256476 /nfs/dbraw/zinc/25/64/76/922256476.db2.gz ORGYXLMJLSFPKM-AWEZNQCLSA-N 2 0 259.353 0.286 20 30 CCEDRP C=CC[C@]1(C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCC[NH2+]1 ZINC001341710707 922637562 /nfs/dbraw/zinc/63/75/62/922637562.db2.gz GEJRIDRNHJGHNF-SMDDNHRTSA-N 2 0 251.374 0.880 20 30 CCEDRP [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001342091568 922802410 /nfs/dbraw/zinc/80/24/10/922802410.db2.gz ZPEHZYRMUJKYJA-ZBFHGGJFSA-N 2 0 275.396 0.719 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001343712514 923438744 /nfs/dbraw/zinc/43/87/44/923438744.db2.gz BZYPQRTZSIXRLI-VXGBXAGGSA-N 2 0 271.430 0.881 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345502576 923908900 /nfs/dbraw/zinc/90/89/00/923908900.db2.gz SEZDGGUNEPKIEC-NNYUYHANSA-N 2 0 250.346 0.407 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001346453404 924219667 /nfs/dbraw/zinc/21/96/67/924219667.db2.gz JERNYDQJGYWWID-ZDUSSCGKSA-N 2 0 266.389 0.322 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001357471263 926540343 /nfs/dbraw/zinc/54/03/43/926540343.db2.gz CUTAZUHWARHWPZ-AGIUHOORSA-N 2 0 251.374 0.880 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000572149116 358928062 /nfs/dbraw/zinc/92/80/62/358928062.db2.gz VHXNNXJPLHGKPH-CVEARBPZSA-N 2 0 296.459 0.903 20 30 CCEDRP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424449 360300024 /nfs/dbraw/zinc/30/00/24/360300024.db2.gz DSIGADCFQOKYJW-WCQYABFASA-N 2 0 254.378 0.887 20 30 CCEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+](C)C1CC1 ZINC000594437110 360305475 /nfs/dbraw/zinc/30/54/75/360305475.db2.gz IAZBDNQIOYRNSC-WCQYABFASA-N 2 0 266.389 0.997 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000594440228 360308164 /nfs/dbraw/zinc/30/81/64/360308164.db2.gz AEZYYVCEMLFAQN-CQSZACIVSA-N 2 0 296.415 0.626 20 30 CCEDRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCSC1 ZINC000594441284 360309890 /nfs/dbraw/zinc/30/98/90/360309890.db2.gz QNIMPQPXPVCHJN-GXTWGEPZSA-N 2 0 298.456 0.951 20 30 CCEDRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440990 360309899 /nfs/dbraw/zinc/30/98/99/360309899.db2.gz KLVSOBADVASJLB-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP C=CC[C@]1(C(=O)NCCOCC[NH2+]C)CCC[NH2+]1 ZINC000638574723 375151043 /nfs/dbraw/zinc/15/10/43/375151043.db2.gz GVWXCZTUWYAEGX-CYBMUJFWSA-N 2 0 255.362 0.037 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194739904 389103108 /nfs/dbraw/zinc/10/31/08/389103108.db2.gz WQILQYAMTAVCLN-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000262791975 389294997 /nfs/dbraw/zinc/29/49/97/389294997.db2.gz OJGDGTKQMFSNQZ-CYBMUJFWSA-N 2 0 289.383 0.422 20 30 CCEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NC)CC1 ZINC000264079989 389305638 /nfs/dbraw/zinc/30/56/38/389305638.db2.gz HBHLUXIQWFOMHX-UHFFFAOYSA-N 2 0 289.427 0.858 20 30 CCEDRP CNC(NCc1cccc(OCC[NH+](C)C)c1)=[NH+]C ZINC000264135967 389308406 /nfs/dbraw/zinc/30/84/06/389308406.db2.gz VEDDOVADRRAQKO-UHFFFAOYSA-N 2 0 264.373 0.922 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158665475 389348210 /nfs/dbraw/zinc/34/82/10/389348210.db2.gz XYMGLIHPJJQTNZ-STQMWFEESA-N 2 0 294.399 0.414 20 30 CCEDRP CC(C)(CNC(=[NH2+])Nc1ccccn1)N1CCOCC1 ZINC000170906284 389467197 /nfs/dbraw/zinc/46/71/97/389467197.db2.gz FFXDDQHABYFALF-UHFFFAOYSA-N 2 0 277.372 0.919 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccco1 ZINC000178484923 389608301 /nfs/dbraw/zinc/60/83/01/389608301.db2.gz QCGTUGBAVOELPH-ZDUSSCGKSA-N 2 0 291.399 0.287 20 30 CCEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000580183702 390226080 /nfs/dbraw/zinc/22/60/80/390226080.db2.gz OWFTYNPROJJULK-LBPRGKRZSA-N 2 0 294.424 0.318 20 30 CCEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567895346 390711573 /nfs/dbraw/zinc/71/15/73/390711573.db2.gz DKKKXUHCIHMAIT-QWHCGFSZSA-N 2 0 281.400 0.364 20 30 CCEDRP C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000685188880 545801161 /nfs/dbraw/zinc/80/11/61/545801161.db2.gz UKDDQOQCTOYDNR-CQSZACIVSA-N 2 0 283.416 0.313 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662755998 414765803 /nfs/dbraw/zinc/76/58/03/414765803.db2.gz GMQSMNRNVXZOTI-INIZCTEOSA-N 2 0 294.443 0.438 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC[NH2+]1 ZINC000662770077 414776935 /nfs/dbraw/zinc/77/69/35/414776935.db2.gz NYLWCFAWZBTQSR-JSGCOSHPSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CCC[NH2+]1 ZINC000662830807 414823777 /nfs/dbraw/zinc/82/37/77/414823777.db2.gz VHPFPZNCQKHTHX-NFAWXSAZSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CCNC(=O)NC(=O)CN1CCCC[C@@H]1CC[NH3+] ZINC000070149929 260152704 /nfs/dbraw/zinc/15/27/04/260152704.db2.gz AUTDTKRCIMIPMQ-LLVKDONJSA-N 2 0 268.361 0.202 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCOC1)NCC1([NH+](C)C)CCOCC1 ZINC000131763450 264381842 /nfs/dbraw/zinc/38/18/42/264381842.db2.gz DBVOGPXLRKFTIF-ZDUSSCGKSA-N 2 0 298.431 0.299 20 30 CCEDRP C=CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000178962467 329203243 /nfs/dbraw/zinc/20/32/43/329203243.db2.gz HSGJGHFYTLTQBD-ZDUSSCGKSA-N 2 0 272.414 0.661 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262481656 330016602 /nfs/dbraw/zinc/01/66/02/330016602.db2.gz RRKIYUFHGBVVGN-CHWSQXEVSA-N 2 0 268.405 0.754 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCSCC2)CCOCC1 ZINC000262513255 330018987 /nfs/dbraw/zinc/01/89/87/330018987.db2.gz FEYBWITZLYNCAV-UHFFFAOYSA-N 2 0 286.445 0.461 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262512786 330019053 /nfs/dbraw/zinc/01/90/53/330019053.db2.gz MLMXAYABOQQSMP-AAEUAGOBSA-N 2 0 286.445 0.243 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262544950 330020672 /nfs/dbraw/zinc/02/06/72/330020672.db2.gz UTRIGDVZMWJGNX-JSGCOSHPSA-N 2 0 268.405 0.802 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCC2(N3CCCCC3)CC[NH+](C)CC2)N1 ZINC000262669182 330025758 /nfs/dbraw/zinc/02/57/58/330025758.db2.gz QFEXMICNFNGJDH-CQSZACIVSA-N 2 0 293.459 0.874 20 30 CCEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N[C@H]1CCC(=O)N(C)C1 ZINC000262774148 330030678 /nfs/dbraw/zinc/03/06/78/330030678.db2.gz JSBOQMZIFVNELM-NSHDSACASA-N 2 0 283.420 0.160 20 30 CCEDRP CC[NH+](CC)CCOCCNC1=[NH+]CCCN1C ZINC000263189625 330048388 /nfs/dbraw/zinc/04/83/88/330048388.db2.gz VMLTZEFKGFUDSJ-UHFFFAOYSA-N 2 0 256.394 0.626 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N ZINC000424074743 330220560 /nfs/dbraw/zinc/22/05/60/330220560.db2.gz HVCUHFUPXPHWOD-DGCLKSJQSA-N 2 0 254.378 0.887 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCC1 ZINC000424130937 330262314 /nfs/dbraw/zinc/26/23/14/330262314.db2.gz FVCVQNAQHZQERN-LBPRGKRZSA-N 2 0 252.362 0.610 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424133078 330265377 /nfs/dbraw/zinc/26/53/77/330265377.db2.gz IVWKWAYAIOQFAQ-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424145525 330290798 /nfs/dbraw/zinc/29/07/98/330290798.db2.gz YYFLHWAMGGGUQR-NSHDSACASA-N 2 0 254.378 0.712 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424146423 330292873 /nfs/dbraw/zinc/29/28/73/330292873.db2.gz PTNBCSMGMQJLII-KGLIPLIRSA-N 2 0 278.400 0.952 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000424157902 330305251 /nfs/dbraw/zinc/30/52/51/330305251.db2.gz RYTQQRZJNBDZTK-CYBMUJFWSA-N 2 0 276.340 0.984 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000424159305 330306202 /nfs/dbraw/zinc/30/62/02/330306202.db2.gz VJIGEGJGBVIQTA-RVMXOQNASA-N 2 0 264.373 0.593 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000424159303 330306210 /nfs/dbraw/zinc/30/62/10/330306210.db2.gz VJIGEGJGBVIQTA-RNJOBUHISA-N 2 0 264.373 0.593 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000424162218 330307310 /nfs/dbraw/zinc/30/73/10/330307310.db2.gz CHOJMVOTZKLLMZ-SOUVJXGZSA-N 2 0 286.379 0.961 20 30 CCEDRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424172725 330312804 /nfs/dbraw/zinc/31/28/04/330312804.db2.gz DHULQMHSJJGHOC-NWDGAFQWSA-N 2 0 252.362 0.560 20 30 CCEDRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C[NH3+] ZINC000424196511 330325188 /nfs/dbraw/zinc/32/51/88/330325188.db2.gz GLBMSZFUDHAUCU-VOAKCMCISA-N 2 0 266.389 0.839 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000424199910 330326626 /nfs/dbraw/zinc/32/66/26/330326626.db2.gz QOPZOBCUHJGTRV-RRFJBIMHSA-N 2 0 286.379 0.879 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000490655432 332100365 /nfs/dbraw/zinc/10/03/65/332100365.db2.gz AIYJBHZENFSHHP-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000490720960 332109013 /nfs/dbraw/zinc/10/90/13/332109013.db2.gz UZDVDFZJHNHKSN-GJZGRUSLSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000491267768 332177769 /nfs/dbraw/zinc/17/77/69/332177769.db2.gz VEVATSXYXJBJRT-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491537904 332232664 /nfs/dbraw/zinc/23/26/64/332232664.db2.gz UTDUKKRQMCFLFR-OKILXGFUSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000491694592 332290458 /nfs/dbraw/zinc/29/04/58/332290458.db2.gz LKHUVRMMOWPHMG-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000491703262 332297171 /nfs/dbraw/zinc/29/71/71/332297171.db2.gz NKFGHIDPDBQFCW-GJZGRUSLSA-N 2 0 293.411 0.093 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000580558341 335280457 /nfs/dbraw/zinc/28/04/57/335280457.db2.gz FJRXOJBEBRNTCF-CYBMUJFWSA-N 2 0 266.389 1.000 20 30 CCEDRP C=C(C)[C@H](CO)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000677047678 545357173 /nfs/dbraw/zinc/35/71/73/545357173.db2.gz FTHNVQMOTWIBQV-HNNXBMFYSA-N 2 0 268.401 0.968 20 30 CCEDRP COCC#CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000677818620 545373676 /nfs/dbraw/zinc/37/36/76/545373676.db2.gz DKEMWUMEWQUTEA-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C[C@H](CCNC(=[NH2+])N1CCOCC1)[NH+]1CCCCC1 ZINC000305796862 649874962 /nfs/dbraw/zinc/87/49/62/649874962.db2.gz AXFAELJSCUIWGG-CYBMUJFWSA-N 2 0 268.405 0.898 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000764056256 582029603 /nfs/dbraw/zinc/02/96/03/582029603.db2.gz KJUOFBRYZHILQM-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193951 613003892 /nfs/dbraw/zinc/00/38/92/613003892.db2.gz JKSUKUGMRYQMMC-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[C@H](COC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000875924971 613061299 /nfs/dbraw/zinc/06/12/99/613061299.db2.gz YFIQXJDEIMPCCX-CQSZACIVSA-N 2 0 298.431 0.160 20 30 CCEDRP C#CCN(C(=S)NCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000899613471 613070679 /nfs/dbraw/zinc/07/06/79/613070679.db2.gz CBUSWUNACBUSEO-UHFFFAOYSA-N 2 0 296.484 0.842 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851661194 613073574 /nfs/dbraw/zinc/07/35/74/613073574.db2.gz GIIQNCUNHDBVNZ-UHFFFAOYSA-N 2 0 264.373 0.074 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000876847605 613390168 /nfs/dbraw/zinc/39/01/68/613390168.db2.gz CUTCYCGOKXYFOX-CMPLNLGQSA-N 2 0 275.780 0.341 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981461903 612973085 /nfs/dbraw/zinc/97/30/85/612973085.db2.gz NOCAGINDLXYODO-KBPBESRZSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875317215 612981824 /nfs/dbraw/zinc/98/18/24/612981824.db2.gz IZRDTDFKOXAHHF-HUUCEWRRSA-N 2 0 294.443 0.781 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969677798 612994338 /nfs/dbraw/zinc/99/43/38/612994338.db2.gz QKWOQIYIZHDRIX-CJNGLKHVSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833179 613004866 /nfs/dbraw/zinc/00/48/66/613004866.db2.gz CZXROCWIQOQQGW-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977602526 613037935 /nfs/dbraw/zinc/03/79/35/613037935.db2.gz RQXGECIDLYQIDE-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891920845 613074719 /nfs/dbraw/zinc/07/47/19/613074719.db2.gz FGQSKBOWPDSAEF-DZGCQCFKSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972734169 613081483 /nfs/dbraw/zinc/08/14/83/613081483.db2.gz WLTYHWCZYVVFOT-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000971675834 613083630 /nfs/dbraw/zinc/08/36/30/613083630.db2.gz BQKPHHGALDGOKR-KGLIPLIRSA-N 2 0 263.385 0.493 20 30 CCEDRP C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000847023022 613106803 /nfs/dbraw/zinc/10/68/03/613106803.db2.gz KOCKZYLMSKRQIM-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#C[C@H](CCC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000820639566 613122926 /nfs/dbraw/zinc/12/29/26/613122926.db2.gz DDVHGCXFPMZFTQ-CQSZACIVSA-N 2 0 282.432 0.923 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C[NH+](C)C)OCC)CC1 ZINC000831758060 613130414 /nfs/dbraw/zinc/13/04/14/613130414.db2.gz VHNXMRCOUSKNRK-OAHLLOKOSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000922118372 613133995 /nfs/dbraw/zinc/13/39/95/613133995.db2.gz WQIKCZANVJVAHT-UHFFFAOYSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000922906917 613135457 /nfs/dbraw/zinc/13/54/57/613135457.db2.gz FVGQVOFOSQATIF-AWEZNQCLSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982113060 613141218 /nfs/dbraw/zinc/14/12/18/613141218.db2.gz IMSVAMZXHMESNR-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978185285 613308805 /nfs/dbraw/zinc/30/88/05/613308805.db2.gz VOJTXKUIBOGREI-RYPNDVFKSA-N 2 0 275.396 0.254 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979047393 613343777 /nfs/dbraw/zinc/34/37/77/613343777.db2.gz FWUQSYDCRPASKJ-ZQDZILKHSA-N 2 0 277.412 0.808 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970355754 613348336 /nfs/dbraw/zinc/34/83/36/613348336.db2.gz OGIAGTIVSPTVRP-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000970712386 613348601 /nfs/dbraw/zinc/34/86/01/613348601.db2.gz NVRSWODYUGOOPJ-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCCOC ZINC000876770190 613387812 /nfs/dbraw/zinc/38/78/12/613387812.db2.gz ASLGPDKLPRFULM-LLVKDONJSA-N 2 0 277.796 0.541 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000876773577 613387948 /nfs/dbraw/zinc/38/79/48/613387948.db2.gz AKXBDXCBDWRGEM-GFCCVEGCSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000876727692 613387975 /nfs/dbraw/zinc/38/79/75/613387975.db2.gz QXXYNRRKANWOEY-GHMZBOCLSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000876756580 613388461 /nfs/dbraw/zinc/38/84/61/613388461.db2.gz VNVVSWWEQIXGQE-WDEREUQCSA-N 2 0 275.780 0.293 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000876943602 613388992 /nfs/dbraw/zinc/38/89/92/613388992.db2.gz FPQCWVDOWTVURP-LBPRGKRZSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866780 613390553 /nfs/dbraw/zinc/39/05/53/613390553.db2.gz XIELDKXJTNDIGA-YUMQZZPRSA-N 2 0 267.707 0.570 20 30 CCEDRP C=CCCN1CC(N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000957413706 613477973 /nfs/dbraw/zinc/47/79/73/613477973.db2.gz ROIDJABDTPZOBX-HNNXBMFYSA-N 2 0 295.427 0.816 20 30 CCEDRP C=CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H](C)COC ZINC000923387866 613651411 /nfs/dbraw/zinc/65/14/11/613651411.db2.gz ZVQLOFPDXUKYOO-CHWSQXEVSA-N 2 0 254.374 0.888 20 30 CCEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000895098063 613652798 /nfs/dbraw/zinc/65/27/98/613652798.db2.gz IMWGQAZPYBWTIP-CQSZACIVSA-N 2 0 268.401 0.586 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876756133 613675513 /nfs/dbraw/zinc/67/55/13/613675513.db2.gz ORYZEFWWKLWGCE-WCQYABFASA-N 2 0 269.364 0.701 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000969845496 613864231 /nfs/dbraw/zinc/86/42/31/613864231.db2.gz DSADOWJPTRNHQK-CHWSQXEVSA-N 2 0 253.390 0.949 20 30 CCEDRP CC(C)C[C@H](C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884033864 614214713 /nfs/dbraw/zinc/21/47/13/614214713.db2.gz VNBWRCXKGFQSAN-DNCHLWJUSA-N 2 0 278.400 0.615 20 30 CCEDRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852885831 614271845 /nfs/dbraw/zinc/27/18/45/614271845.db2.gz ZYQZGTASPOGVOH-OAHLLOKOSA-N 2 0 277.412 0.788 20 30 CCEDRP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834499848 614324580 /nfs/dbraw/zinc/32/45/80/614324580.db2.gz NKHIMQCJNNOVHA-STQMWFEESA-N 2 0 264.373 0.335 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884468093 614549178 /nfs/dbraw/zinc/54/91/78/614549178.db2.gz QHPWMLXUNCDBEJ-MFOWVQHXSA-N 2 0 290.411 0.726 20 30 CCEDRP CCC([NH3+])(CC)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852798648 614586522 /nfs/dbraw/zinc/58/65/22/614586522.db2.gz NGIOVECPPQOEGN-UHFFFAOYSA-N 2 0 251.374 0.623 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852915156 614708085 /nfs/dbraw/zinc/70/80/85/614708085.db2.gz RRJRUOMCPNHNRN-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884412876 614747785 /nfs/dbraw/zinc/74/77/85/614747785.db2.gz CLNRRHXLCBZSLL-WJEHIRDRSA-N 2 0 290.411 0.726 20 30 CCEDRP CC[NH+](CC)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884176657 614991846 /nfs/dbraw/zinc/99/18/46/614991846.db2.gz LQMIGZQTOVJAPX-NPCAHTBFSA-N 2 0 292.427 0.974 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H](C[NH3+])C1CC1 ZINC000884338763 615799255 /nfs/dbraw/zinc/79/92/55/615799255.db2.gz RCGYIFYXOFXCMD-FMPXUHTOSA-N 2 0 276.384 0.321 20 30 CCEDRP C[NH+](C)C1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873879 615855448 /nfs/dbraw/zinc/85/54/48/615855448.db2.gz GZFMUFOHTKUQHT-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C[N@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CCCC1 ZINC000852865930 616090672 /nfs/dbraw/zinc/09/06/72/616090672.db2.gz DAGXALBYJAYEKZ-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801963 616125600 /nfs/dbraw/zinc/12/56/00/616125600.db2.gz KXBPIWCDUHXWRQ-HUUCEWRRSA-N 2 0 286.379 0.389 20 30 CCEDRP CN1CC[NH+]=C1NCCCCCCNC1=[NH+]CCN1C ZINC000849019685 616247855 /nfs/dbraw/zinc/24/78/55/616247855.db2.gz YZJRNTBNCXTQNG-UHFFFAOYSA-N 2 0 280.420 0.329 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001026495339 625461936 /nfs/dbraw/zinc/46/19/36/625461936.db2.gz TWVGLHXKSQDPEW-UYSNPLJNSA-N 2 0 289.423 0.978 20 30 CCEDRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000161527759 622860789 /nfs/dbraw/zinc/86/07/89/622860789.db2.gz JLZNSFOHVNBXFP-LBPRGKRZSA-N 2 0 256.394 0.658 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001022956183 622866859 /nfs/dbraw/zinc/86/68/59/622866859.db2.gz UVWHKNHLWGDHNO-IYBDPMFKSA-N 2 0 289.423 0.978 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001023291111 622984146 /nfs/dbraw/zinc/98/41/46/622984146.db2.gz FASCOFXYHCZUDR-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001019495707 623848390 /nfs/dbraw/zinc/84/83/90/623848390.db2.gz CBBVHGGZHZCQNM-AWEZNQCLSA-N 2 0 291.399 0.435 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001020938696 624627532 /nfs/dbraw/zinc/62/75/32/624627532.db2.gz SQWFUQZJBLJCMS-HAQNSBGRSA-N 2 0 272.352 0.631 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000234249452 624809780 /nfs/dbraw/zinc/80/97/80/624809780.db2.gz KTRRGMFNMJBDQD-OAHLLOKOSA-N 2 0 277.368 0.759 20 30 CCEDRP C[NH+]=C(NCCN1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261949611 624880590 /nfs/dbraw/zinc/88/05/90/624880590.db2.gz GYKGNZHEFCWWEZ-TZMCWYRMSA-N 2 0 279.432 0.340 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCOC1 ZINC000261968231 624929960 /nfs/dbraw/zinc/92/99/60/624929960.db2.gz CFNYOHVCMNHHEL-RYUDHWBXSA-N 2 0 254.378 0.412 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452551 624997557 /nfs/dbraw/zinc/99/75/57/624997557.db2.gz NWRDRVIVXIAGBE-NHGZVPIDSA-N 2 0 291.395 0.272 20 30 CCEDRP N#Cc1ccc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cn1 ZINC000904384010 634741580 /nfs/dbraw/zinc/74/15/80/634741580.db2.gz GELSZVWPGUHXHV-BETUJISGSA-N 2 0 271.368 0.813 20 30 CCEDRP C[NH+]=C(NCc1cc(C)no1)N[C@H]1CCN(C2CC2)C1 ZINC000083094264 630968203 /nfs/dbraw/zinc/96/82/03/630968203.db2.gz OMGZCQVGHQYWQI-NSHDSACASA-N 2 0 277.372 0.885 20 30 CCEDRP C[NH+]=C(NC[C@H](C)N(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261962267 631735654 /nfs/dbraw/zinc/73/56/54/631735654.db2.gz KNFNDCBUEAOGJD-SGMGOOAPSA-N 2 0 281.448 0.584 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261977794 631741005 /nfs/dbraw/zinc/74/10/05/631741005.db2.gz OBPZAQIHFJWMES-DGCLKSJQSA-N 2 0 280.416 0.549 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000985752579 632635657 /nfs/dbraw/zinc/63/56/57/632635657.db2.gz WHPQJARPLYVTOK-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC000989797171 633356178 /nfs/dbraw/zinc/35/61/78/633356178.db2.gz WILHGZOBZUZNFU-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995828461 638802358 /nfs/dbraw/zinc/80/23/58/638802358.db2.gz YOXRIYIFQRJFBV-MGPQQGTHSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001014482494 650456297 /nfs/dbraw/zinc/45/62/97/650456297.db2.gz GNYVGQTZIRIUBU-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999495770 638984707 /nfs/dbraw/zinc/98/47/07/638984707.db2.gz LFXQDZGSNJDACY-CHWSQXEVSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001001413329 639296634 /nfs/dbraw/zinc/29/66/34/639296634.db2.gz LXPJCZPTCHNEEV-MRXNPFEDSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015652666 650601151 /nfs/dbraw/zinc/60/11/51/650601151.db2.gz HCMREKBVIRNHBO-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841850108 642843656 /nfs/dbraw/zinc/84/36/56/642843656.db2.gz XNUNUKAQMJMTTL-NOHGZBONSA-N 2 0 250.346 0.122 20 30 CCEDRP C[C@@H]1C[N@@H+](CCCNC2=[NH+]CCN2C)C[C@H](C)O1 ZINC000848983529 643691162 /nfs/dbraw/zinc/69/11/62/643691162.db2.gz HVPZESLAQSEPEM-TXEJJXNPSA-N 2 0 254.378 0.377 20 30 CCEDRP C[C@H]1C[N@H+](CCC[NH+]=C(N(C)C)N(C)C)CCCO1 ZINC000849022585 643702905 /nfs/dbraw/zinc/70/29/05/643702905.db2.gz LOZPCPZAELSVHQ-ZDUSSCGKSA-N 2 0 270.421 0.967 20 30 CCEDRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852798374 644003149 /nfs/dbraw/zinc/00/31/49/644003149.db2.gz JHXWLCCLANMIIH-TZMCWYRMSA-N 2 0 263.385 0.575 20 30 CCEDRP [NH3+]Cc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)c(F)c1 ZINC000852895561 644047893 /nfs/dbraw/zinc/04/78/93/644047893.db2.gz DTESPMBIDNXCGY-UHFFFAOYSA-N 2 0 289.354 0.904 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876504787 646613484 /nfs/dbraw/zinc/61/34/84/646613484.db2.gz WWNSJUGBPHEYEL-TZMCWYRMSA-N 2 0 270.336 0.305 20 30 CCEDRP C[C@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876786471 646663753 /nfs/dbraw/zinc/66/37/53/646663753.db2.gz IJUSNORYFCHITI-QMTHXVAHSA-N 2 0 272.352 0.456 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000876869576 646686815 /nfs/dbraw/zinc/68/68/15/646686815.db2.gz HKRUGNYMROCZRC-BJJXKVORSA-N 2 0 298.390 0.989 20 30 CCEDRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876935347 646700972 /nfs/dbraw/zinc/70/09/72/646700972.db2.gz RTYPBGWGBCYUDR-FIXISWKDSA-N 2 0 286.379 0.987 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCCC(C)C)CC1 ZINC000303868987 649825904 /nfs/dbraw/zinc/82/59/04/649825904.db2.gz ASQWZNSLPKFXMW-UHFFFAOYSA-N 2 0 269.437 0.574 20 30 CCEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)NCC1CCC1 ZINC000303898848 649826586 /nfs/dbraw/zinc/82/65/86/649826586.db2.gz RHFMGLHUBHRDTR-UHFFFAOYSA-N 2 0 268.405 0.538 20 30 CCEDRP CC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[NH+]1CCCC1 ZINC000303897252 649826587 /nfs/dbraw/zinc/82/65/87/649826587.db2.gz QJRIJCAXGXOKFN-RYUDHWBXSA-N 2 0 256.394 0.800 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000303907827 649826933 /nfs/dbraw/zinc/82/69/33/649826933.db2.gz XDAHANFDWDVCRW-CHWSQXEVSA-N 2 0 268.405 0.896 20 30 CCEDRP CCn1cnnc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303900005 649826989 /nfs/dbraw/zinc/82/69/89/649826989.db2.gz RYFGIFDNFGUFRE-LLVKDONJSA-N 2 0 279.392 0.187 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C)C1 ZINC000304751636 649838405 /nfs/dbraw/zinc/83/84/05/649838405.db2.gz JMSODNBWLQWCHQ-UONOGXRCSA-N 3 0 281.448 0.717 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305015470 649840635 /nfs/dbraw/zinc/84/06/35/649840635.db2.gz LUNZYHYXKXCEOP-UONOGXRCSA-N 2 0 298.431 0.571 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCCCCC1)N1CC[NH+](C)CC1 ZINC000305085458 649841321 /nfs/dbraw/zinc/84/13/21/649841321.db2.gz UQBSKPGYJCHFMN-AWEZNQCLSA-N 2 0 281.448 0.813 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100418570 790581894 /nfs/dbraw/zinc/58/18/94/790581894.db2.gz AFHPPLKCNCOQOC-YMAMQOFZSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001266439754 790709274 /nfs/dbraw/zinc/70/92/74/790709274.db2.gz WBHCTRQFKNMNPH-QWHCGFSZSA-N 2 0 253.390 0.997 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266482742 790774951 /nfs/dbraw/zinc/77/49/51/790774951.db2.gz HUKAHSDDRCROCM-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266544898 790906196 /nfs/dbraw/zinc/90/61/96/790906196.db2.gz KYCZUTCAHYLWNE-OLZOCXBDSA-N 2 0 251.374 0.398 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266632957 791059551 /nfs/dbraw/zinc/05/95/51/791059551.db2.gz XMPMOUCZDOPKHD-RBSFLKMASA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001266741005 791203271 /nfs/dbraw/zinc/20/32/71/791203271.db2.gz HIUDFSSSPYBAGG-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001266965243 791403345 /nfs/dbraw/zinc/40/33/45/791403345.db2.gz SBKDGNJYRJTAGZ-LBPRGKRZSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[N@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267203161 791668349 /nfs/dbraw/zinc/66/83/49/791668349.db2.gz PCLAJFKAYFLIMP-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001277819047 806144609 /nfs/dbraw/zinc/14/46/09/806144609.db2.gz HGMJOCCCHSTUFO-DZGCQCFKSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667853 793237492 /nfs/dbraw/zinc/23/74/92/793237492.db2.gz NLUOUHTXCPRKGC-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCN(C)CC1 ZINC001143237556 800214949 /nfs/dbraw/zinc/21/49/49/800214949.db2.gz NEXSTFIOVMEVFD-HNNXBMFYSA-N 2 0 294.443 0.391 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149889484 800306345 /nfs/dbraw/zinc/30/63/45/800306345.db2.gz OISHPJBEQRBKEN-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001151044328 800390312 /nfs/dbraw/zinc/39/03/12/800390312.db2.gz QMMRMTITNUUVGO-HNNXBMFYSA-N 2 0 286.379 0.716 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001206642152 800466828 /nfs/dbraw/zinc/46/68/28/800466828.db2.gz VDFGJZSKLKHSRE-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC001152027150 800484774 /nfs/dbraw/zinc/48/47/74/800484774.db2.gz CKPMGPJKOZVIJX-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](C)OC)CC1 ZINC001152323927 800509951 /nfs/dbraw/zinc/50/99/51/800509951.db2.gz HUGHNJYXMFEJSB-ZDUSSCGKSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156524860 801179808 /nfs/dbraw/zinc/17/98/08/801179808.db2.gz DYOCUFISSRSTDR-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCO)CC1 ZINC001157091827 801297639 /nfs/dbraw/zinc/29/76/39/801297639.db2.gz DHNSFHGQQIWKJT-CQSZACIVSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158029751 801555467 /nfs/dbraw/zinc/55/54/67/801555467.db2.gz KXBCWIONYNLHCO-UONOGXRCSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158412567 801637251 /nfs/dbraw/zinc/63/72/51/801637251.db2.gz PKJOAWXCTKURHY-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506542 801660564 /nfs/dbraw/zinc/66/05/64/801660564.db2.gz LUBYVJNOOVBMOM-HUUCEWRRSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750594 801698463 /nfs/dbraw/zinc/69/84/63/801698463.db2.gz OOAPOPDHBMUPIC-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP N#Cc1cc([N+](=O)[O-])cnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159784863 801869950 /nfs/dbraw/zinc/86/99/50/801869950.db2.gz KYKGHFZPPOKTRW-SECBINFHSA-N 2 0 250.262 0.297 20 30 CCEDRP C=CCN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001160432248 801940434 /nfs/dbraw/zinc/94/04/34/801940434.db2.gz QVYKXBPGZLAYOT-AWEZNQCLSA-N 2 0 292.427 0.191 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160861973 802035286 /nfs/dbraw/zinc/03/52/86/802035286.db2.gz FESZIVLKGOAEKW-ZIAGYGMSSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889313 802043708 /nfs/dbraw/zinc/04/37/08/802043708.db2.gz HXUIKMALUZISME-QWHCGFSZSA-N 2 0 298.431 0.113 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789685 802224501 /nfs/dbraw/zinc/22/45/01/802224501.db2.gz UYLIDNQESKPTPR-UHFFFAOYSA-N 2 0 251.374 0.897 20 30 CCEDRP N#Cc1ccc([N+](=O)[O-])c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162290532 802301603 /nfs/dbraw/zinc/30/16/03/802301603.db2.gz YWWGGRAAHQKLKK-UHFFFAOYSA-N 2 0 292.343 0.992 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232433 802508711 /nfs/dbraw/zinc/50/87/11/802508711.db2.gz VIAXSQKMZBYRBZ-OAHLLOKOSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163231338 802509395 /nfs/dbraw/zinc/50/93/95/802509395.db2.gz CLIYDIGNIHRAMX-OAHLLOKOSA-N 2 0 277.412 0.980 20 30 CCEDRP N#CCc1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc[nH+]1 ZINC001163325227 802534003 /nfs/dbraw/zinc/53/40/03/802534003.db2.gz ARGXTHXXOGNBCV-HUUCEWRRSA-N 2 0 272.352 0.893 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164536344 802758510 /nfs/dbraw/zinc/75/85/10/802758510.db2.gz RHTVOPCMKRKRRM-AWEZNQCLSA-N 2 0 283.416 0.768 20 30 CCEDRP C#CCC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)C1CCC1 ZINC001267805837 811800744 /nfs/dbraw/zinc/80/07/44/811800744.db2.gz JBKSKHUGMNZLGN-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001105007720 811804440 /nfs/dbraw/zinc/80/44/40/811804440.db2.gz DTPNTHGPSPIKEW-KFWWJZLASA-N 2 0 277.412 0.646 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028538318 812828534 /nfs/dbraw/zinc/82/85/34/812828534.db2.gz BMKLEAWGWVNTOA-GDBMZVCRSA-N 2 0 289.423 0.790 20 30 CCEDRP N#Cc1cncc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205228363 803127213 /nfs/dbraw/zinc/12/72/13/803127213.db2.gz DOZYYBATJJNWMI-AWEZNQCLSA-N 2 0 260.341 0.629 20 30 CCEDRP C=CCn1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205231485 803129168 /nfs/dbraw/zinc/12/91/68/803129168.db2.gz YLKFRSZGDQIKCC-CQSZACIVSA-N 2 0 264.373 0.745 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206145473 803209845 /nfs/dbraw/zinc/20/98/45/803209845.db2.gz AXQPUBIAJYJOPS-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP CC#CC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206929193 803310999 /nfs/dbraw/zinc/31/09/99/803310999.db2.gz YLQDOMRNLGTYOB-UHFFFAOYSA-N 2 0 277.412 0.934 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334926 803506044 /nfs/dbraw/zinc/50/60/44/803506044.db2.gz OIMYFJXFLGDDCG-CABCVRRESA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463507 803811659 /nfs/dbraw/zinc/81/16/59/803811659.db2.gz ZZGWXJFVSUGANR-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215540016 803818545 /nfs/dbraw/zinc/81/85/45/803818545.db2.gz GMSDYVYRBVYPNN-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP N#Cc1ccnc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218502826 803969694 /nfs/dbraw/zinc/96/96/94/803969694.db2.gz ASQAFMPXSCAHDF-LBPRGKRZSA-N 2 0 285.351 0.766 20 30 CCEDRP N#Cc1c(NC(=O)[C@@H]2CC[NH2+]2)sc2c1CC[NH2+]C2 ZINC001218552533 804002391 /nfs/dbraw/zinc/00/23/91/804002391.db2.gz IECGADFFNQMMFK-VIFPVBQESA-N 2 0 262.338 0.566 20 30 CCEDRP N#Cc1cccc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001218588023 804021623 /nfs/dbraw/zinc/02/16/23/804021623.db2.gz OIEHNEMERZRUQS-GFCCVEGCSA-N 2 0 285.351 0.766 20 30 CCEDRP Cc1coc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1C#N ZINC001218768318 804115717 /nfs/dbraw/zinc/11/57/17/804115717.db2.gz KIDQVLOWVCYQCV-LBPRGKRZSA-N 2 0 291.355 0.149 20 30 CCEDRP N#Cc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)ccc1O ZINC001218954370 804165220 /nfs/dbraw/zinc/16/52/20/804165220.db2.gz LKOIHTOUJMDRTH-ZDUSSCGKSA-N 2 0 274.324 0.529 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(O)c1 ZINC001218988102 804174998 /nfs/dbraw/zinc/17/49/98/804174998.db2.gz FJZROTHNHCSBMB-SNVBAGLBSA-N 2 0 272.308 0.011 20 30 CCEDRP N#CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1 ZINC001219606878 804372872 /nfs/dbraw/zinc/37/28/72/804372872.db2.gz VWIYBOBODWXVKY-NSHDSACASA-N 2 0 262.357 0.423 20 30 CCEDRP C#CC[C@]1(C(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)CCC[NH2+]1 ZINC001219648922 804391092 /nfs/dbraw/zinc/39/10/92/804391092.db2.gz CGAUMNZANHJXPP-UMVBOHGHSA-N 2 0 263.385 0.494 20 30 CCEDRP C=C[C@@H]1C[C@@]1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220572959 804626967 /nfs/dbraw/zinc/62/69/67/804626967.db2.gz CWTUERJBHVFEKH-XUJVJEKNSA-N 2 0 297.399 0.457 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798650 804669903 /nfs/dbraw/zinc/66/99/03/804669903.db2.gz DICWJXYHRMJPTF-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220825897 804675570 /nfs/dbraw/zinc/67/55/70/804675570.db2.gz IOAODXCLWIHCBH-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220884648 804689658 /nfs/dbraw/zinc/68/96/58/804689658.db2.gz JOVZXLNKWFAZDF-LSDHHAIUSA-N 2 0 286.379 0.686 20 30 CCEDRP C#CC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCCCC1 ZINC001221276160 804762455 /nfs/dbraw/zinc/76/24/55/804762455.db2.gz RWNVFIIEAVRVGP-CQSZACIVSA-N 2 0 292.427 0.189 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221292498 804768295 /nfs/dbraw/zinc/76/82/95/804768295.db2.gz NEPSHYCLJGTETM-AAEUAGOBSA-N 2 0 264.373 0.240 20 30 CCEDRP N#CC1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)Cc2ccccc2C1 ZINC001221365853 804788498 /nfs/dbraw/zinc/78/84/98/804788498.db2.gz CTOFIYHXLGAHRX-OAHLLOKOSA-N 2 0 298.390 0.491 20 30 CCEDRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC#CC[NH+](C)C ZINC001221437543 804816369 /nfs/dbraw/zinc/81/63/69/804816369.db2.gz WEVGZYHHGAEYCL-LSDHHAIUSA-N 2 0 294.443 0.971 20 30 CCEDRP C=CCOCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346964 805029237 /nfs/dbraw/zinc/02/92/37/805029237.db2.gz UMBZUMYERBNYRO-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP C#CCCC[NH+]1CC2(C[C@@H]2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276977802 805046368 /nfs/dbraw/zinc/04/63/68/805046368.db2.gz GEUCUKCUKWRSJX-OAHLLOKOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246019739 807119223 /nfs/dbraw/zinc/11/92/23/807119223.db2.gz JNEVBIIJHUANPB-MGPQQGTHSA-N 2 0 254.374 0.304 20 30 CCEDRP NC(=O)c1ccc(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001246312693 807218996 /nfs/dbraw/zinc/21/89/96/807218996.db2.gz AJFIXENMWWZIRR-FUNVUKJBSA-N 2 0 272.352 0.774 20 30 CCEDRP N#Cc1ccc(F)c(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)c1 ZINC001247855867 807496189 /nfs/dbraw/zinc/49/61/89/807496189.db2.gz INVNROLGOBHJGD-UHFFFAOYSA-N 2 0 299.309 0.808 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001252497439 807895388 /nfs/dbraw/zinc/89/53/88/807895388.db2.gz RHRHWLNTPPTYNX-OAHLLOKOSA-N 2 0 284.400 0.250 20 30 CCEDRP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001253576977 808086154 /nfs/dbraw/zinc/08/61/54/808086154.db2.gz JIHRDBKIDKRWLG-QLFBSQMISA-N 2 0 284.400 0.202 20 30 CCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001278865337 808356203 /nfs/dbraw/zinc/35/62/03/808356203.db2.gz VWZYTKNZZSMAAL-AWEZNQCLSA-N 2 0 294.399 0.519 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001279205017 808534692 /nfs/dbraw/zinc/53/46/92/808534692.db2.gz RMLKAVVTPVWRGZ-KGLIPLIRSA-N 2 0 265.401 0.644 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076569044 815312490 /nfs/dbraw/zinc/31/24/90/815312490.db2.gz HRMIQULMJFYKRI-BFHYXJOUSA-N 2 0 261.369 0.104 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001265624462 809815776 /nfs/dbraw/zinc/81/57/76/809815776.db2.gz SAZBMNQVYIYOCD-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]C1CCC(NC(=O)Cc2c[nH]cn2)CC1 ZINC001265740690 809833933 /nfs/dbraw/zinc/83/39/33/809833933.db2.gz MFLGJEMFSHHIHW-UHFFFAOYSA-N 2 0 274.368 0.993 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001265942153 809900150 /nfs/dbraw/zinc/90/01/50/809900150.db2.gz WTCCFXNNBPPCOT-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP CC[C@@H](C(=O)NCCC[N@H+](C)CC#CCOC)[NH+](C)C ZINC001265953780 809904082 /nfs/dbraw/zinc/90/40/82/809904082.db2.gz FLRLVFWZRYECOQ-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266143628 809946822 /nfs/dbraw/zinc/94/68/22/809946822.db2.gz HYBHTYUFCVCAMW-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001279307817 809974653 /nfs/dbraw/zinc/97/46/53/809974653.db2.gz PPDSQJWIHGEPDW-NFOMZHRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267281978 811089858 /nfs/dbraw/zinc/08/98/58/811089858.db2.gz NNVGZMGATZLDLW-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267639010 811601076 /nfs/dbraw/zinc/60/10/76/811601076.db2.gz WPKSGPGIBHXRNS-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CNc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218981127 811625881 /nfs/dbraw/zinc/62/58/81/811625881.db2.gz OAFRRYXBLLFIFN-SNVBAGLBSA-N 2 0 261.329 0.605 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001267788594 811787092 /nfs/dbraw/zinc/78/70/92/811787092.db2.gz ARROJCRQJMEGOB-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001267849429 811833462 /nfs/dbraw/zinc/83/34/62/811833462.db2.gz PFYZLEHFAGGJNR-GDBMZVCRSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268009912 811947934 /nfs/dbraw/zinc/94/79/34/811947934.db2.gz LFWZRMVEYXSYKS-KBPBESRZSA-N 2 0 267.417 0.938 20 30 CCEDRP COC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])c(C#N)n1 ZINC001167882511 812402852 /nfs/dbraw/zinc/40/28/52/812402852.db2.gz TVSAHWOUOWKJMS-UHFFFAOYSA-N 2 0 290.327 0.415 20 30 CCEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268315591 812479300 /nfs/dbraw/zinc/47/93/00/812479300.db2.gz OMKOUNZTWINTFQ-CQSZACIVSA-N 2 0 295.427 0.339 20 30 CCEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001028316628 812614961 /nfs/dbraw/zinc/61/49/61/812614961.db2.gz SCDVGZWMPMOTLP-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268836961 813107777 /nfs/dbraw/zinc/10/77/77/813107777.db2.gz YOOCPHBKLLCAIO-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269033475 813184746 /nfs/dbraw/zinc/18/47/46/813184746.db2.gz AKJWGYPZHLYGQV-KBPBESRZSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106041 814410393 /nfs/dbraw/zinc/41/03/93/814410393.db2.gz LGCCEXDJYJSPOV-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109395 814411975 /nfs/dbraw/zinc/41/19/75/814411975.db2.gz CKEQMJUHVXAWFF-ILXRZTDVSA-N 2 0 277.412 0.740 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001271965463 814655159 /nfs/dbraw/zinc/65/51/59/814655159.db2.gz MAIWPLBWLNZUBP-GDBMZVCRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257371 816492878 /nfs/dbraw/zinc/49/28/78/816492878.db2.gz XYAIJVWRINVUGO-STQMWFEESA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976130 817514991 /nfs/dbraw/zinc/51/49/91/817514991.db2.gz FVVCPYRIYVNYGC-JSGCOSHPSA-N 2 0 265.401 0.808 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780912 817631035 /nfs/dbraw/zinc/63/10/35/817631035.db2.gz OVHFAVLYIHRBKR-KFWWJZLASA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCN1C[C@@]2(F)CN(CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030530 818490362 /nfs/dbraw/zinc/49/03/62/818490362.db2.gz NVSVMLQCNIXTJK-LSDHHAIUSA-N 2 0 299.365 0.746 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090530 818509803 /nfs/dbraw/zinc/50/98/03/818509803.db2.gz BYRAUKXCPZYLQS-RBSFLKMASA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035794674 819626573 /nfs/dbraw/zinc/62/65/73/819626573.db2.gz IVUSZDCNELAXIT-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035839524 819635054 /nfs/dbraw/zinc/63/50/54/819635054.db2.gz UBDKALDGORCXFD-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC(NCc1nnn2c1C[NH2+]CCC2)=[NH+]COC ZINC001162973417 819891068 /nfs/dbraw/zinc/89/10/68/819891068.db2.gz KPYNJZYVWOGDQN-UHFFFAOYSA-N 2 0 264.333 0.049 20 30 CCEDRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001118203001 820094408 /nfs/dbraw/zinc/09/44/08/820094408.db2.gz KWZMJDDOWNQNBK-PWSUYJOCSA-N 2 0 252.362 0.593 20 30 CCEDRP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080779007 820637333 /nfs/dbraw/zinc/63/73/33/820637333.db2.gz FAOWJNSBYNGMGL-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137769 820905243 /nfs/dbraw/zinc/90/52/43/820905243.db2.gz ACLBHTZABNCFSE-ZIAGYGMSSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2ccnc2)[C@H](OC)C1 ZINC001082395199 820956059 /nfs/dbraw/zinc/95/60/59/820956059.db2.gz CFCXVTBXXFUHPQ-CHWSQXEVSA-N 2 0 278.356 0.275 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001082570447 820999681 /nfs/dbraw/zinc/99/96/81/820999681.db2.gz LXBKEMIEOKWFRA-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001082923413 821063541 /nfs/dbraw/zinc/06/35/41/821063541.db2.gz IXLQEHSQZKBWEB-QLFBSQMISA-N 2 0 295.427 0.577 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955051 821165737 /nfs/dbraw/zinc/16/57/37/821165737.db2.gz UWSVPFBJNUKGOU-MCIONIFRSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCN1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001084429293 821285613 /nfs/dbraw/zinc/28/56/13/821285613.db2.gz XWWGDKQSQPSPEE-KFWWJZLASA-N 2 0 277.412 0.739 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630902 821329900 /nfs/dbraw/zinc/32/99/00/821329900.db2.gz ZPJDPZPONXIAIE-HZPDHXFCSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084777895 821390005 /nfs/dbraw/zinc/39/00/05/821390005.db2.gz VJNRZVZKIZTUPM-ZIAGYGMSSA-N 2 0 275.396 0.801 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085422281 821681118 /nfs/dbraw/zinc/68/11/18/821681118.db2.gz NEHCGDGEZPKQGB-BFHYXJOUSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086368324 822228014 /nfs/dbraw/zinc/22/80/14/822228014.db2.gz ZTGVXUOHOPLJTN-QEJZJMRPSA-N 2 0 277.412 0.999 20 30 CCEDRP C[NH+]1CCN(C(=[NH2+])Nc2ncc3c(C#N)c[nH]c3n2)CC1 ZINC001157914524 837693136 /nfs/dbraw/zinc/69/31/36/837693136.db2.gz ABIKKGMXPCZBIB-UHFFFAOYSA-N 2 0 284.327 0.424 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001183399491 844013900 /nfs/dbraw/zinc/01/39/00/844013900.db2.gz XWJMLHUDRJNLMP-IJEWVQPXSA-N 2 0 277.412 0.646 20 30 CCEDRP C=CC(NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+])=[NH+]COC ZINC001170273158 837280910 /nfs/dbraw/zinc/28/09/10/837280910.db2.gz NOTMKRGLURMPKP-NQBHXWOUSA-N 2 0 271.361 0.489 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790409 838218345 /nfs/dbraw/zinc/21/83/45/838218345.db2.gz MYKHFWJFAKYMFB-AWEZNQCLSA-N 2 0 263.385 0.590 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790516 838218874 /nfs/dbraw/zinc/21/88/74/838218874.db2.gz OTHCVYKSZKMMIM-OAHLLOKOSA-N 2 0 295.427 0.769 20 30 CCEDRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001133870612 838750505 /nfs/dbraw/zinc/75/05/05/838750505.db2.gz UXNQXLBFLFJXMB-RDJZCZTQSA-N 2 0 299.418 0.942 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133897130 838770039 /nfs/dbraw/zinc/77/00/39/838770039.db2.gz ZWVWOKTVXFHMEO-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C1(N2CCOCC2)CCCC1 ZINC001134617209 839022953 /nfs/dbraw/zinc/02/29/53/839022953.db2.gz IOLLWJRSJSWZFM-UHFFFAOYSA-N 2 0 293.411 0.361 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001134759463 839064901 /nfs/dbraw/zinc/06/49/01/839064901.db2.gz PGSPYGFXXWPHGU-ZDUSSCGKSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001134766068 839066452 /nfs/dbraw/zinc/06/64/52/839066452.db2.gz CSXPMSVWMWOXCZ-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090541772 839628623 /nfs/dbraw/zinc/62/86/23/839628623.db2.gz XYIBMJMCENIZLI-KGLIPLIRSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001185789138 844459965 /nfs/dbraw/zinc/45/99/65/844459965.db2.gz SKXAOMQAPWYJMP-CABCVRRESA-N 2 0 288.395 0.981 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326392 840180726 /nfs/dbraw/zinc/18/07/26/840180726.db2.gz LHXORNLQENSOIB-UHFFFAOYSA-N 2 0 263.385 0.753 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383548 840297288 /nfs/dbraw/zinc/29/72/88/840297288.db2.gz IQOQFDDZFIQWDT-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCc3ncc[nH]3)C[C@]2(C)C1 ZINC001091632660 840593903 /nfs/dbraw/zinc/59/39/03/840593903.db2.gz CKHSHISVELJFNI-CJNGLKHVSA-N 2 0 286.379 0.756 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174380 840755946 /nfs/dbraw/zinc/75/59/46/840755946.db2.gz LLWITZKZPAFLJL-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148647312 840863302 /nfs/dbraw/zinc/86/33/02/840863302.db2.gz RLZBGCOZZWOCSG-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCF)CC1 ZINC001176926133 842452346 /nfs/dbraw/zinc/45/23/46/842452346.db2.gz HFJAUWCGNKVEGV-UHFFFAOYSA-N 2 0 283.391 0.787 20 30 CCEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045190 842736737 /nfs/dbraw/zinc/73/67/37/842736737.db2.gz GBWVJSPVDWKLCW-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226912 843120736 /nfs/dbraw/zinc/12/07/36/843120736.db2.gz SNXOGTQDZHHCFZ-GJZGRUSLSA-N 2 0 295.427 0.555 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001183044061 843956336 /nfs/dbraw/zinc/95/63/36/843956336.db2.gz BUTZZSIVLXZPRN-AWEZNQCLSA-N 2 0 281.400 0.427 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183289069 843999723 /nfs/dbraw/zinc/99/97/23/843999723.db2.gz RKEZMCFBHZRKQH-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192016982 845773133 /nfs/dbraw/zinc/77/31/33/845773133.db2.gz LDMPLFXGYCHLKV-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193600903 846137963 /nfs/dbraw/zinc/13/79/63/846137963.db2.gz OKOBOGONURFFNT-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194095921 846222240 /nfs/dbraw/zinc/22/22/40/846222240.db2.gz WDPGQIKUGAUNEC-MGPQQGTHSA-N 2 0 283.416 0.454 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339720 846921323 /nfs/dbraw/zinc/92/13/23/846921323.db2.gz AGPBIWBWXPYUEY-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115151339 847148192 /nfs/dbraw/zinc/14/81/92/847148192.db2.gz CTZRTXZUQDTREL-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200124192 847555191 /nfs/dbraw/zinc/55/51/91/847555191.db2.gz ZPXCSDJODGQBQV-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCNC(=S)N(CC[NH+](C)C)CC[NH+](C)C ZINC001200287557 847595905 /nfs/dbraw/zinc/59/59/05/847595905.db2.gz BWNIGBIXXWOSNF-UHFFFAOYSA-N 2 0 258.435 0.472 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200737388 847686686 /nfs/dbraw/zinc/68/66/86/847686686.db2.gz NGAJLZADCQQXPC-CABCVRRESA-N 2 0 295.427 0.413 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276444 847758878 /nfs/dbraw/zinc/75/88/78/847758878.db2.gz IFZJQFARPCQNQQ-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335427 847770704 /nfs/dbraw/zinc/77/07/04/847770704.db2.gz OLBSQCNGMKMMRZ-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201678506 847800915 /nfs/dbraw/zinc/80/09/15/847800915.db2.gz KUUMYCDQYOHPQE-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)CCCO1 ZINC001201924909 847826734 /nfs/dbraw/zinc/82/67/34/847826734.db2.gz VMVMMINKEVSJMP-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCO1 ZINC001202164984 847861242 /nfs/dbraw/zinc/86/12/42/847861242.db2.gz NULLNHOGHRUTOM-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225414 847871399 /nfs/dbraw/zinc/87/13/99/847871399.db2.gz XCPXTPMZFJUOHL-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408933 848050496 /nfs/dbraw/zinc/05/04/96/848050496.db2.gz CZPLIHOBUZPJRA-YJNKXOJESA-N 2 0 277.412 0.949 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)[C@H](CC)[NH+](C)C ZINC001274368603 848461384 /nfs/dbraw/zinc/46/13/84/848461384.db2.gz MYHQGDBHQYRPJS-XEHSLEBBSA-N 2 0 251.374 0.612 20 30 CCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518673 848494957 /nfs/dbraw/zinc/49/49/57/848494957.db2.gz ITQCUIGEPQRVKY-LFAOLKIESA-N 2 0 295.427 0.484 20 30 CCEDRP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001274578300 848509163 /nfs/dbraw/zinc/50/91/63/848509163.db2.gz HEINEBAIIVVXDT-FOSCPCJNSA-N 2 0 295.427 0.793 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCOCC)CC1 ZINC001275459801 848726886 /nfs/dbraw/zinc/72/68/86/848726886.db2.gz VMSIZFZJWFLVLV-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001275976324 848878030 /nfs/dbraw/zinc/87/80/30/848878030.db2.gz BSUVQPYCSBFHME-QWHCGFSZSA-N 2 0 253.390 0.642 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048719616 852029564 /nfs/dbraw/zinc/02/95/64/852029564.db2.gz BGTBHYROUWIHBI-HZSPNIEDSA-N 2 0 263.385 0.657 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001283679681 904956678 /nfs/dbraw/zinc/95/66/78/904956678.db2.gz RDSWHIIPMJHIRQ-STQMWFEESA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001049901403 852393518 /nfs/dbraw/zinc/39/35/18/852393518.db2.gz PCDCMKQYGIWFSD-CABCVRRESA-N 2 0 275.396 0.781 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001052865617 852664277 /nfs/dbraw/zinc/66/42/77/852664277.db2.gz QDLZARCKAVQXCO-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCCN1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531168 852754389 /nfs/dbraw/zinc/75/43/89/852754389.db2.gz LVHRAHGBUMVKPH-CQSZACIVSA-N 2 0 293.411 0.427 20 30 CCEDRP C#CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001071994291 854331655 /nfs/dbraw/zinc/33/16/55/854331655.db2.gz DVIMTPRPGHERRF-KBPBESRZSA-N 2 0 275.396 0.685 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001072541987 854410523 /nfs/dbraw/zinc/41/05/23/854410523.db2.gz IBBSXDRCWVRCPK-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743471 854455891 /nfs/dbraw/zinc/45/58/91/854455891.db2.gz PSXVMWNWOMMSPF-OAHLLOKOSA-N 2 0 287.407 0.496 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752438 854457926 /nfs/dbraw/zinc/45/79/26/854457926.db2.gz KKCRCJJFIXTJDG-HUUCEWRRSA-N 2 0 289.423 0.884 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973980 855057835 /nfs/dbraw/zinc/05/78/35/855057835.db2.gz LVYXDCDINJGAQQ-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083340 855098640 /nfs/dbraw/zinc/09/86/40/855098640.db2.gz QKSSXFLEBUATNL-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100188087 855113424 /nfs/dbraw/zinc/11/34/24/855113424.db2.gz YYAVZCFVEMOVIF-NRXISQOPSA-N 2 0 295.427 0.768 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100345023 855151632 /nfs/dbraw/zinc/15/16/32/855151632.db2.gz MRPKIQARNJWIIP-XSCHDIRWSA-N 2 0 277.412 0.834 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100827716 855230332 /nfs/dbraw/zinc/23/03/32/855230332.db2.gz QUIQMLPSRBQJBT-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320412 855427514 /nfs/dbraw/zinc/42/75/14/855427514.db2.gz BDCMBAOEVKDWQP-ZIAGYGMSSA-N 2 0 265.401 0.646 20 30 CCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285094 855624558 /nfs/dbraw/zinc/62/45/58/855624558.db2.gz LMTNOBYGTAZDDR-UXLLHSPISA-N 2 0 289.423 0.932 20 30 CCEDRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001118384041 856284767 /nfs/dbraw/zinc/28/47/67/856284767.db2.gz PCXKOJDHXRXHJE-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C#CC1CC[NH2+]CC1)C2 ZINC001118810707 856450346 /nfs/dbraw/zinc/45/03/46/856450346.db2.gz XLUWGCXSMYFGFH-HIFRSBDPSA-N 2 0 261.369 0.329 20 30 CCEDRP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001324948655 913113896 /nfs/dbraw/zinc/11/38/96/913113896.db2.gz TZXLYEHZLCZZCN-ZBFHGGJFSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[N@@H+](C)CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001266280910 891415622 /nfs/dbraw/zinc/41/56/22/891415622.db2.gz YOLXBKQBWVBONN-CYBMUJFWSA-N 2 0 271.380 0.738 20 30 CCEDRP CC#CC[N@H+](CCNC(=O)Cc1cncn1C)C1CC1 ZINC001267336623 891878390 /nfs/dbraw/zinc/87/83/90/891878390.db2.gz UDHXREXZTRNRAX-UHFFFAOYSA-N 2 0 274.368 0.567 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481066981 892128132 /nfs/dbraw/zinc/12/81/32/892128132.db2.gz YNWQFTAWKUKCAK-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001481279739 892506819 /nfs/dbraw/zinc/50/68/19/892506819.db2.gz OBVXMZMBUSSWDB-UHFFFAOYSA-N 2 0 297.443 0.662 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481448029 892672748 /nfs/dbraw/zinc/67/27/48/892672748.db2.gz VBVGKRRWNRLSBY-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001282186111 892955739 /nfs/dbraw/zinc/95/57/39/892955739.db2.gz SCXYSQBAXKPWKV-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[C@@H]1[NH3+] ZINC001326115639 913753680 /nfs/dbraw/zinc/75/36/80/913753680.db2.gz LCQHAZHITVAVNB-WOPDTQHZSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482398589 893954196 /nfs/dbraw/zinc/95/41/96/893954196.db2.gz PEXNADDMEOQWGY-KBPBESRZSA-N 2 0 265.401 0.692 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001355187329 894117432 /nfs/dbraw/zinc/11/74/32/894117432.db2.gz QDQSGYQAYQRWRH-TZMCWYRMSA-N 2 0 264.373 0.752 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001482570904 894254397 /nfs/dbraw/zinc/25/43/97/894254397.db2.gz PGUHUWCPMOBHRD-UONOGXRCSA-N 2 0 265.401 0.692 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482728097 894547938 /nfs/dbraw/zinc/54/79/38/894547938.db2.gz DZSMHODNNSBLRQ-KBPBESRZSA-N 2 0 283.416 0.502 20 30 CCEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482892088 894674865 /nfs/dbraw/zinc/67/48/65/894674865.db2.gz WDKJHJJRJWLTTC-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950452 894730039 /nfs/dbraw/zinc/73/00/39/894730039.db2.gz RUROPWSYPXATAU-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001483045040 894842134 /nfs/dbraw/zinc/84/21/34/894842134.db2.gz UJBRYYNIMFSPTA-URWSZGRFSA-N 2 0 251.374 0.919 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410358 895547102 /nfs/dbraw/zinc/54/71/02/895547102.db2.gz VHVAWTSIEMLTJM-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484126107 896203031 /nfs/dbraw/zinc/20/30/31/896203031.db2.gz TUSQKPKPBKHHPZ-UKRRQHHQSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001484347908 896352301 /nfs/dbraw/zinc/35/23/01/896352301.db2.gz LFMMMWQTKJDIIU-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484385355 896367659 /nfs/dbraw/zinc/36/76/59/896367659.db2.gz YNOJPTQMMMKLKM-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484962905 896680216 /nfs/dbraw/zinc/68/02/16/896680216.db2.gz GETHYACNKQYMPK-AWEZNQCLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001492857992 914120210 /nfs/dbraw/zinc/12/02/10/914120210.db2.gz UDRZPFYYQCTPBK-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)CCC ZINC001485832304 897830766 /nfs/dbraw/zinc/83/07/66/897830766.db2.gz MUCYYHHUTPOMLD-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001326843632 914225408 /nfs/dbraw/zinc/22/54/08/914225408.db2.gz QYPMGIWOBPSDDZ-YPMHNXCESA-N 2 0 252.362 0.595 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485854798 898463026 /nfs/dbraw/zinc/46/30/26/898463026.db2.gz GYNVHLYXHIKCMY-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001486351765 898807033 /nfs/dbraw/zinc/80/70/33/898807033.db2.gz YCUMKYTYQFHCFC-OAHLLOKOSA-N 2 0 297.443 0.655 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486347882 898825596 /nfs/dbraw/zinc/82/55/96/898825596.db2.gz UHOYULMZOOFJHU-AWEZNQCLSA-N 2 0 283.416 0.265 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC001327033954 914327064 /nfs/dbraw/zinc/32/70/64/914327064.db2.gz GVZCLULOCBDTST-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176565665 899976760 /nfs/dbraw/zinc/97/67/60/899976760.db2.gz WWWJDKAQSOADSW-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001326829317 901937174 /nfs/dbraw/zinc/93/71/74/901937174.db2.gz OUOBRUDERFYLEB-AWEZNQCLSA-N 2 0 295.431 0.151 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490954994 903267908 /nfs/dbraw/zinc/26/79/08/903267908.db2.gz MSADTJPHISRHQS-JHJVBQTASA-N 2 0 251.374 0.751 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490954992 903268663 /nfs/dbraw/zinc/26/86/63/903268663.db2.gz MSADTJPHISRHQS-AVGNSLFASA-N 2 0 251.374 0.751 20 30 CCEDRP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210521881 903826117 /nfs/dbraw/zinc/82/61/17/903826117.db2.gz XUCFYFDVMNDXAL-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001282065878 904402739 /nfs/dbraw/zinc/40/27/39/904402739.db2.gz CUIGKGVBLZZOCZ-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927676 904605748 /nfs/dbraw/zinc/60/57/48/904605748.db2.gz HALVZVXZUHQQLE-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#CCOC)C1)[NH+](C)C ZINC001316623365 904652758 /nfs/dbraw/zinc/65/27/58/904652758.db2.gz UNTIIGVEIKEBBM-ZNMIVQPWSA-N 2 0 295.427 0.461 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001283531912 904894811 /nfs/dbraw/zinc/89/48/11/904894811.db2.gz IXYYZUXJTFTSGL-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001283755435 904993065 /nfs/dbraw/zinc/99/30/65/904993065.db2.gz HWTBOSTWPXQTJZ-ZDUSSCGKSA-N 2 0 283.416 0.504 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001283765402 905002743 /nfs/dbraw/zinc/00/27/43/905002743.db2.gz UCQMKTCGMUBREX-KBPBESRZSA-N 2 0 283.416 0.504 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[NH+]1CCCC1)C2 ZINC001336978013 921137531 /nfs/dbraw/zinc/13/75/31/921137531.db2.gz OJMNJXSHKSHASY-NPCAHTBFSA-N 2 0 290.411 0.728 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001491579698 907415942 /nfs/dbraw/zinc/41/59/42/907415942.db2.gz TXNNIRKNEIUYEX-STQMWFEESA-N 2 0 253.390 0.834 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001491579696 907416320 /nfs/dbraw/zinc/41/63/20/907416320.db2.gz TXNNIRKNEIUYEX-OLZOCXBDSA-N 2 0 253.390 0.834 20 30 CCEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491643458 907477708 /nfs/dbraw/zinc/47/77/08/907477708.db2.gz ZWSVGTGNBZTHIU-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001491809728 907611248 /nfs/dbraw/zinc/61/12/48/907611248.db2.gz ZJPXRLMLQOMTSQ-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC#CC)CC1 ZINC001492128789 907711331 /nfs/dbraw/zinc/71/13/31/907711331.db2.gz FQUGIXZCIPBPFA-OAHLLOKOSA-N 2 0 289.423 0.839 20 30 CCEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317307756 909131278 /nfs/dbraw/zinc/13/12/78/909131278.db2.gz QDDXVEBCBHDAGG-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317345522 909151675 /nfs/dbraw/zinc/15/16/75/909151675.db2.gz BZEMCOFONBQEOK-HNNXBMFYSA-N 2 0 277.412 0.934 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351836 909155306 /nfs/dbraw/zinc/15/53/06/909155306.db2.gz BKEQGKTXSSVFOQ-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)N1CC[NH+](C)CC1 ZINC001338468878 921476962 /nfs/dbraw/zinc/47/69/62/921476962.db2.gz ZAGKSCDNYPDZTJ-KBPBESRZSA-N 2 0 263.389 0.655 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001317643588 909440219 /nfs/dbraw/zinc/44/02/19/909440219.db2.gz IAMIQEDKEIPKEM-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317830850 909516608 /nfs/dbraw/zinc/51/66/08/909516608.db2.gz KYULLWFZVGUXHG-ZIAGYGMSSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCN1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318482615 909774334 /nfs/dbraw/zinc/77/43/34/909774334.db2.gz KOVJHRGYWZTGDG-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319168117 910015544 /nfs/dbraw/zinc/01/55/44/910015544.db2.gz RYKRIAFVWWJNQJ-UONOGXRCSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001319190006 910027532 /nfs/dbraw/zinc/02/75/32/910027532.db2.gz QZBYKNOVZNVZPJ-HIFRSBDPSA-N 2 0 277.412 0.693 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001319286697 910072518 /nfs/dbraw/zinc/07/25/18/910072518.db2.gz XZIPNUDGEOKMQI-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C(C)C ZINC001319967317 910379216 /nfs/dbraw/zinc/37/92/16/910379216.db2.gz DSJOUGWENBIQQQ-ZDUSSCGKSA-N 2 0 253.390 0.690 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001320091678 910456691 /nfs/dbraw/zinc/45/66/91/910456691.db2.gz YUEREMYIUVIFHM-UHFFFAOYSA-N 2 0 283.416 0.367 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001320086160 910457345 /nfs/dbraw/zinc/45/73/45/910457345.db2.gz XVSQAVUHFSJCTP-UHFFFAOYSA-N 2 0 275.396 0.355 20 30 CCEDRP C=CCC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320269930 910567046 /nfs/dbraw/zinc/56/70/46/910567046.db2.gz DPPPFZWOIXQJLF-HIFRSBDPSA-N 2 0 297.443 0.750 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001328451073 915204168 /nfs/dbraw/zinc/20/41/68/915204168.db2.gz DPXIXRQPBAYHQW-KGLIPLIRSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001329888103 916257628 /nfs/dbraw/zinc/25/76/28/916257628.db2.gz RWRVCDQYLXBDTC-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001330032119 916369997 /nfs/dbraw/zinc/36/99/97/916369997.db2.gz QKUCYNFYCJARCM-DZGCQCFKSA-N 2 0 295.427 0.720 20 30 CCEDRP [NH3+][C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)C12CCC2 ZINC001332419988 918142740 /nfs/dbraw/zinc/14/27/40/918142740.db2.gz IBXMUZCCEGRDIC-RHVHMXCLSA-N 2 0 290.367 0.372 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001332621684 918322620 /nfs/dbraw/zinc/32/26/20/918322620.db2.gz VLIUBIPWHQBTFP-GJZGRUSLSA-N 2 0 297.443 0.798 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332647074 918349829 /nfs/dbraw/zinc/34/98/29/918349829.db2.gz HFQIQEXHXQLTIV-CQSZACIVSA-N 2 0 295.427 0.245 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001333245726 918750394 /nfs/dbraw/zinc/75/03/94/918750394.db2.gz NRGGLSBXXWTRPU-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001406249613 919137134 /nfs/dbraw/zinc/13/71/34/919137134.db2.gz ULQFBJYRPOLYNQ-VXGBXAGGSA-N 2 0 289.807 0.290 20 30 CCEDRP C#CCN(C(=O)C[NH2+]C(C)(C)C)C1CC[NH+](C)CC1 ZINC001335325292 920122166 /nfs/dbraw/zinc/12/21/66/920122166.db2.gz SFBGXLNORNVJQI-UHFFFAOYSA-N 2 0 265.401 0.931 20 30 CCEDRP C[NH+](C)CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001336764512 920988969 /nfs/dbraw/zinc/98/89/69/920988969.db2.gz YZHOGHVSHMJQNR-AWEZNQCLSA-N 2 0 283.416 0.989 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CCO[C@H](C)C1 ZINC001340838252 922233630 /nfs/dbraw/zinc/23/36/30/922233630.db2.gz HYBNHRPEKQTDAE-CHWSQXEVSA-N 2 0 269.389 0.507 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341037875 922322224 /nfs/dbraw/zinc/32/22/24/922322224.db2.gz SVQKFLKLDSTVKK-NSHDSACASA-N 2 0 280.372 0.056 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC001341531446 922539268 /nfs/dbraw/zinc/53/92/68/922539268.db2.gz AFPCDXJAJOKMEZ-HNNXBMFYSA-N 2 0 273.380 0.498 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCCCC[NH2+]1 ZINC001341550010 922548156 /nfs/dbraw/zinc/54/81/56/922548156.db2.gz RKXNXFVXGMSJBU-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC001341675309 922620012 /nfs/dbraw/zinc/62/00/12/922620012.db2.gz QUTXSLXOONWITP-NWDGAFQWSA-N 2 0 283.372 0.034 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001342325934 922912739 /nfs/dbraw/zinc/91/27/39/922912739.db2.gz HPYJLFKZRQJAHK-GUBZILKMSA-N 2 0 257.765 0.842 20 30 CCEDRP CN(CCC[NH+](C)C)C(=O)C#CC1CC[NH2+]CC1 ZINC001342883769 923123782 /nfs/dbraw/zinc/12/37/82/923123782.db2.gz OBBHWUGMXKKGMC-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001344128896 923556865 /nfs/dbraw/zinc/55/68/65/923556865.db2.gz XZJCDSNFDXHFJK-UWVGGRQHSA-N 2 0 277.290 0.195 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479963890 924961454 /nfs/dbraw/zinc/96/14/54/924961454.db2.gz YORFFYAJNAUTMC-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP CC(C)([NH3+])CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001349873009 925083629 /nfs/dbraw/zinc/08/36/29/925083629.db2.gz JVUFCEBPHIDMLC-IQLKVPPVSA-N 2 0 264.373 0.369 20 30 CCEDRP N#CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001353402730 925821978 /nfs/dbraw/zinc/82/19/78/925821978.db2.gz MOMIRLUHNWIOFV-OKILXGFUSA-N 2 0 291.399 0.510 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001357397110 926525702 /nfs/dbraw/zinc/52/57/02/926525702.db2.gz OISPXYZNYXXPPN-CHWSQXEVSA-N 2 0 265.401 0.999 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001447657774 930679688 /nfs/dbraw/zinc/67/96/88/930679688.db2.gz OIXJODFACMXHAG-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC001448874518 931013773 /nfs/dbraw/zinc/01/37/73/931013773.db2.gz RIXQEVUIYWFWLD-DZGCQCFKSA-N 2 0 283.416 0.408 20 30 CCEDRP CC[C@@H]1[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC[N@@H+]1C ZINC000601043108 362140826 /nfs/dbraw/zinc/14/08/26/362140826.db2.gz SFHLMACQTUASLV-QWHCGFSZSA-N 2 0 278.400 0.821 20 30 CCEDRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000602539604 362667140 /nfs/dbraw/zinc/66/71/40/362667140.db2.gz RYOKXKAIACXOOW-UHFFFAOYSA-N 2 0 294.443 0.799 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602534955 362664592 /nfs/dbraw/zinc/66/45/92/362664592.db2.gz WPZUGSGIVYWEGH-QWRGUYRKSA-N 2 0 250.346 0.408 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000063178503 348680898 /nfs/dbraw/zinc/68/08/98/348680898.db2.gz GLIXQJBRBPJGEN-OAHLLOKOSA-N 2 0 286.379 0.845 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000491672315 358296647 /nfs/dbraw/zinc/29/66/47/358296647.db2.gz TYKONIKFVCYVPF-UHFFFAOYSA-N 2 0 294.443 0.973 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000573438763 358966859 /nfs/dbraw/zinc/96/68/59/358966859.db2.gz LACFIUBXICGRKC-JALIKCBVSA-N 2 0 280.416 0.408 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000591241534 359572842 /nfs/dbraw/zinc/57/28/42/359572842.db2.gz BPOBCEFLZAZZJZ-HNNXBMFYSA-N 2 0 282.432 0.658 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+](C)C1CC1 ZINC000594437108 360305374 /nfs/dbraw/zinc/30/53/74/360305374.db2.gz IAZBDNQIOYRNSC-AAEUAGOBSA-N 2 0 266.389 0.997 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438843 360306833 /nfs/dbraw/zinc/30/68/33/360306833.db2.gz QABZZKPOKBTUOG-KBPBESRZSA-N 2 0 296.415 0.625 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000594439966 360308732 /nfs/dbraw/zinc/30/87/32/360308732.db2.gz WTEDYKXPJVJSPM-QWHCGFSZSA-N 2 0 264.373 0.751 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439502 360309073 /nfs/dbraw/zinc/30/90/73/360309073.db2.gz RIAAXZUCFSORJV-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP Cn1c(C#N)ccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574267585 335004893 /nfs/dbraw/zinc/00/48/93/335004893.db2.gz ATGMGUVKKQEDDL-UHFFFAOYSA-N 2 0 291.399 0.462 20 30 CCEDRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@@H]21 ZINC000332715374 260020692 /nfs/dbraw/zinc/02/06/92/260020692.db2.gz QAIAWWOHPOQVPT-MCIONIFRSA-N 2 0 278.400 0.950 20 30 CCEDRP C=CCC[C@@H](O)C[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000305724943 389088075 /nfs/dbraw/zinc/08/80/75/389088075.db2.gz LFEQUHRWXKNING-HUUCEWRRSA-N 2 0 295.427 0.728 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072045 389038667 /nfs/dbraw/zinc/03/86/67/389038667.db2.gz UXLBVTLXOHZJMN-UHFFFAOYSA-N 2 0 255.362 0.118 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000360333381 389196433 /nfs/dbraw/zinc/19/64/33/389196433.db2.gz IAWFOXBUGFGDCT-ZBFHGGJFSA-N 2 0 289.423 0.884 20 30 CCEDRP CNC(=O)NC(=O)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330420194 389227341 /nfs/dbraw/zinc/22/73/41/389227341.db2.gz FJLFREVGNZFHSU-UHFFFAOYSA-N 2 0 284.404 0.841 20 30 CCEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000330442318 389230122 /nfs/dbraw/zinc/23/01/22/389230122.db2.gz SZFDQJCFSSIVOI-UHFFFAOYSA-N 2 0 284.404 0.700 20 30 CCEDRP C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261965271 389278680 /nfs/dbraw/zinc/27/86/80/389278680.db2.gz LGODPCLSUZOJQD-TZMCWYRMSA-N 2 0 290.415 0.531 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000491388092 390112790 /nfs/dbraw/zinc/11/27/90/390112790.db2.gz ZYFXAWVAJKPHHO-LSDHHAIUSA-N 2 0 292.427 0.629 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000262373635 131215735 /nfs/dbraw/zinc/21/57/35/131215735.db2.gz KIWMCAVPRIZWHO-QLFBSQMISA-N 2 0 295.427 0.524 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754841 414763333 /nfs/dbraw/zinc/76/33/33/414763333.db2.gz VTMUTLDEHVQJDS-INIZCTEOSA-N 2 0 294.443 0.438 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC[NH2+]1 ZINC000662777747 414785677 /nfs/dbraw/zinc/78/56/77/414785677.db2.gz CQZJRATYMSCDJY-KCQAQPDRSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)NC2CC[NH+](CCOC)CC2)CCC[NH2+]1 ZINC000662690993 414741943 /nfs/dbraw/zinc/74/19/43/414741943.db2.gz FKVHEISDOFSCRQ-MRXNPFEDSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCOCC[NH+](C)C)CCC[NH2+]1 ZINC000662796740 414802811 /nfs/dbraw/zinc/80/28/11/414802811.db2.gz QGVXGRORGYGQNO-AWEZNQCLSA-N 2 0 269.389 0.379 20 30 CCEDRP C=CC[C@]1(C(=O)NCCC2(C[NH3+])CC2)CCC[NH2+]1 ZINC000662831257 414823205 /nfs/dbraw/zinc/82/32/05/414823205.db2.gz XMBCLFHMXUQYDH-CQSZACIVSA-N 2 0 251.374 0.930 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364036229 262111396 /nfs/dbraw/zinc/11/13/96/262111396.db2.gz JMNCJXIZMYDWKQ-NWDGAFQWSA-N 2 0 252.362 0.540 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000576339862 327028846 /nfs/dbraw/zinc/02/88/46/327028846.db2.gz ZQWVMNDSCVDZJF-RBSFLKMASA-N 2 0 282.432 0.655 20 30 CCEDRP C[C@]1(CO)CCC[NH+]1CC#CC[N@H+]1CCC[C@@]1(C)CO ZINC000560162191 327287752 /nfs/dbraw/zinc/28/77/52/327287752.db2.gz NOSDWTPMFCVMNG-IYBDPMFKSA-N 2 0 280.412 0.683 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C#N ZINC000262319240 330005742 /nfs/dbraw/zinc/00/57/42/330005742.db2.gz QNWQLKQKKNFJIW-NSHDSACASA-N 2 0 251.378 0.925 20 30 CCEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000262807913 330032855 /nfs/dbraw/zinc/03/28/55/330032855.db2.gz SRXDSRHSYMQVTI-OLZOCXBDSA-N 2 0 265.405 0.033 20 30 CCEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCOCC1 ZINC000262882158 330036032 /nfs/dbraw/zinc/03/60/32/330036032.db2.gz WCFSIZRCIQRHPB-ZDUSSCGKSA-N 2 0 266.389 0.650 20 30 CCEDRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424134292 330266654 /nfs/dbraw/zinc/26/66/54/330266654.db2.gz NHNPZAZJOIKFLT-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424141764 330283769 /nfs/dbraw/zinc/28/37/69/330283769.db2.gz XHZCOWGZAHZOEG-CYBMUJFWSA-N 2 0 266.389 0.950 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424194874 330324508 /nfs/dbraw/zinc/32/45/08/330324508.db2.gz MESUCQNMGBQURI-QWHCGFSZSA-N 2 0 272.352 0.924 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424290452 330334614 /nfs/dbraw/zinc/33/46/14/330334614.db2.gz MOUIBEVKTGSBSL-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](C)CC2)CC1 ZINC000490615817 332095795 /nfs/dbraw/zinc/09/57/95/332095795.db2.gz HVMLFOZYWOHXOB-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000490720959 332108991 /nfs/dbraw/zinc/10/89/91/332108991.db2.gz UZDVDFZJHNHKSN-CABCVRRESA-N 2 0 293.411 0.121 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000490720961 332109064 /nfs/dbraw/zinc/10/90/64/332109064.db2.gz UZDVDFZJHNHKSN-HUUCEWRRSA-N 2 0 293.411 0.121 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000491629907 332252818 /nfs/dbraw/zinc/25/28/18/332252818.db2.gz NCWDMHOFCJJENZ-AWEZNQCLSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491631322 332253965 /nfs/dbraw/zinc/25/39/65/332253965.db2.gz NYOGILAVBAUSMX-DZGCQCFKSA-N 2 0 292.427 0.723 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000491698183 332293376 /nfs/dbraw/zinc/29/33/76/332293376.db2.gz LVRRYAUWIDCZDQ-ZIAGYGMSSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000491709793 332301666 /nfs/dbraw/zinc/30/16/66/332301666.db2.gz PVQIZLJMXUDEQZ-OAHLLOKOSA-N 2 0 288.395 0.941 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000491733363 332314716 /nfs/dbraw/zinc/31/47/16/332314716.db2.gz NZIXAUQXBCNBMD-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000491775630 332341495 /nfs/dbraw/zinc/34/14/95/332341495.db2.gz VGSMFBXAAMUGAW-OKILXGFUSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000491817914 332368226 /nfs/dbraw/zinc/36/82/26/332368226.db2.gz JTQLHITXLZMRCE-SOUVJXGZSA-N 2 0 292.427 0.629 20 30 CCEDRP C=C(C)[C@@H](CO)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000677047679 545357141 /nfs/dbraw/zinc/35/71/41/545357141.db2.gz FTHNVQMOTWIBQV-OAHLLOKOSA-N 2 0 268.401 0.968 20 30 CCEDRP COC(=O)CCC[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000727057813 581299506 /nfs/dbraw/zinc/29/95/06/581299506.db2.gz IZOIAXGUDMSYOU-UHFFFAOYSA-N 2 0 265.317 0.531 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000730281697 581690807 /nfs/dbraw/zinc/69/08/07/581690807.db2.gz SOATZUNWFOAFEW-KKUMJFAQSA-N 2 0 291.395 0.063 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981958166 613004995 /nfs/dbraw/zinc/00/49/95/613004995.db2.gz BPXAHHUAUYGUDS-GJZGRUSLSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(CC)CC2)C1 ZINC000886353381 613074757 /nfs/dbraw/zinc/07/47/57/613074757.db2.gz IEQXVTVMSBUKRU-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861634967 613076369 /nfs/dbraw/zinc/07/63/69/613076369.db2.gz WAALIXKZHZICTB-QWHCGFSZSA-N 2 0 266.389 0.381 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000836344997 613076743 /nfs/dbraw/zinc/07/67/43/613076743.db2.gz FLJKCRNDAISSKT-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000835008650 612956647 /nfs/dbraw/zinc/95/66/47/612956647.db2.gz JHJAUBDLFKKIDM-UHFFFAOYSA-N 2 0 256.353 0.995 20 30 CCEDRP C#CC[N@H+](C)CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000894863459 613078450 /nfs/dbraw/zinc/07/84/50/613078450.db2.gz DEOWMCYKBYRJNQ-UHFFFAOYSA-N 2 0 281.444 0.766 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC000818606593 613072441 /nfs/dbraw/zinc/07/24/41/613072441.db2.gz YLHIWOLOWACPBC-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000861634670 613073892 /nfs/dbraw/zinc/07/38/92/613073892.db2.gz PXERFTQGANGPRV-AWEZNQCLSA-N 2 0 280.416 0.581 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000841910471 613074104 /nfs/dbraw/zinc/07/41/04/613074104.db2.gz RFUWFVPUYXNONW-ZIAGYGMSSA-N 2 0 280.416 0.710 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000895057952 613074466 /nfs/dbraw/zinc/07/44/66/613074466.db2.gz XQZKAGMQRXSHEL-HUUCEWRRSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971551418 613082659 /nfs/dbraw/zinc/08/26/59/613082659.db2.gz JCKQXYQDDRCWIW-HUUCEWRRSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972743303 613087923 /nfs/dbraw/zinc/08/79/23/613087923.db2.gz PVKBKBKULSKAEY-CYBMUJFWSA-N 2 0 286.379 0.927 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC=C)C2)CC1 ZINC000939808771 613129724 /nfs/dbraw/zinc/12/97/24/613129724.db2.gz GPCPCLYAROJIFT-GDBMZVCRSA-N 2 0 289.423 0.954 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000928650127 613136907 /nfs/dbraw/zinc/13/69/07/613136907.db2.gz YZPCJTTYNBEZLQ-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C[NH+]=C(NCCC[NH+]1CCC(O)CC1)NC1CC1 ZINC000848987790 613219507 /nfs/dbraw/zinc/21/95/07/613219507.db2.gz BNYZBOKVADHDRU-UHFFFAOYSA-N 2 0 254.378 0.161 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948052256 613225942 /nfs/dbraw/zinc/22/59/42/613225942.db2.gz CLNDLNQRRCJENU-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900604150 613304830 /nfs/dbraw/zinc/30/48/30/613304830.db2.gz BBHLOLIDQNAUIT-ZBFHGGJFSA-N 2 0 295.427 0.598 20 30 CCEDRP C=C(C)COCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000126163356 613351865 /nfs/dbraw/zinc/35/18/65/613351865.db2.gz DJGVKGPJQFGSAD-CYBMUJFWSA-N 2 0 268.405 0.968 20 30 CCEDRP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC000958377192 613382617 /nfs/dbraw/zinc/38/26/17/613382617.db2.gz AZIHHHRXKRLLKF-XQHKEYJVSA-N 2 0 283.803 0.880 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000876871165 613388238 /nfs/dbraw/zinc/38/82/38/613388238.db2.gz URAWQHVYBZKRIY-NXEZZACHSA-N 2 0 259.781 0.961 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866778 613390386 /nfs/dbraw/zinc/39/03/86/613390386.db2.gz XIELDKXJTNDIGA-JGVFFNPUSA-N 2 0 267.707 0.570 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957649612 613508485 /nfs/dbraw/zinc/50/84/85/613508485.db2.gz POWUCAPZMZBLKH-ZDUSSCGKSA-N 2 0 251.374 0.658 20 30 CCEDRP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595020 613551730 /nfs/dbraw/zinc/55/17/30/613551730.db2.gz OGFCOGNIOPHWQJ-KBPBESRZSA-N 2 0 293.411 0.067 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968549148 613574251 /nfs/dbraw/zinc/57/42/51/613574251.db2.gz NKLFMARTEGVVSG-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000923346304 613590917 /nfs/dbraw/zinc/59/09/17/613590917.db2.gz QYELELZKMCSLOM-KGLIPLIRSA-N 2 0 283.416 0.633 20 30 CCEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981208738 613694240 /nfs/dbraw/zinc/69/42/40/613694240.db2.gz BSFNEUMRBZXDMU-LSDHHAIUSA-N 2 0 293.411 0.570 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000969197247 613863158 /nfs/dbraw/zinc/86/31/58/613863158.db2.gz CSOKTIIOFQKWON-CYBMUJFWSA-N 2 0 263.385 0.991 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939543417 613868395 /nfs/dbraw/zinc/86/83/95/613868395.db2.gz CRIVORYDKCLYEG-QWHCGFSZSA-N 2 0 263.385 0.705 20 30 CCEDRP CC(C)NC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000134551317 614301349 /nfs/dbraw/zinc/30/13/49/614301349.db2.gz FENOHGYQAVKFED-UHFFFAOYSA-N 2 0 279.388 0.835 20 30 CCEDRP CC(C)[NH+]1CCN(CCC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913523427 614359706 /nfs/dbraw/zinc/35/97/06/614359706.db2.gz ZPUQDZDJVWTDDH-UHFFFAOYSA-N 2 0 294.443 0.084 20 30 CCEDRP CC1(C)[NH2+]CC[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884304031 614806484 /nfs/dbraw/zinc/80/64/84/614806484.db2.gz DUPYCXXLNRTPDM-WVIDZAQPSA-N 2 0 276.384 0.382 20 30 CCEDRP CC1(C)[C@@H](O)CC[NH+]1CC#CC[N@H+]1CC[C@H](O)C1(C)C ZINC000812868797 614855454 /nfs/dbraw/zinc/85/54/54/614855454.db2.gz NRDKTWDEQVYXJD-KBPBESRZSA-N 2 0 280.412 0.680 20 30 CCEDRP CC[NH2+]CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876508943 615085738 /nfs/dbraw/zinc/08/57/38/615085738.db2.gz CGSNVZBXHDTZMC-HNNXBMFYSA-N 2 0 286.379 0.861 20 30 CCEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834483982 615112445 /nfs/dbraw/zinc/11/24/45/615112445.db2.gz BZLDORMLOGINRD-SDDRHHMPSA-N 2 0 250.346 0.089 20 30 CCEDRP C[NH+](C)CC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852859592 615873470 /nfs/dbraw/zinc/87/34/70/615873470.db2.gz XOJOTKBDMZJOLR-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834495334 615953883 /nfs/dbraw/zinc/95/38/83/615953883.db2.gz UGFPYNLSPGGECQ-UONOGXRCSA-N 2 0 272.352 0.590 20 30 CCEDRP C[N@H+](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)CC(C)(C)C ZINC000876801517 616049222 /nfs/dbraw/zinc/04/92/22/616049222.db2.gz DXSIKAPGSBEOOJ-MNOVXSKESA-N 2 0 252.362 0.192 20 30 CCEDRP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801964 616125620 /nfs/dbraw/zinc/12/56/20/616125620.db2.gz KXBPIWCDUHXWRQ-LSDHHAIUSA-N 2 0 286.379 0.389 20 30 CCEDRP C[NH+]1CCC2(CC1)C[N@H+](CCOCCC#N)CCO2 ZINC000830653088 616177091 /nfs/dbraw/zinc/17/70/91/616177091.db2.gz UHGKJSYMWJZOQX-UHFFFAOYSA-N 2 0 267.373 0.713 20 30 CCEDRP C[N@@H+]1CCC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884197666 616206880 /nfs/dbraw/zinc/20/68/80/616206880.db2.gz ARRHKVMYFAQMEZ-FMPXUHTOSA-N 2 0 276.384 0.336 20 30 CCEDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc(C#N)cs1 ZINC000902447032 616844178 /nfs/dbraw/zinc/84/41/78/616844178.db2.gz QJINPEPGHGLHRT-SECBINFHSA-N 2 0 254.359 0.858 20 30 CCEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001024376950 623300704 /nfs/dbraw/zinc/30/07/04/623300704.db2.gz FXXZKQVPKNLLMH-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001027332202 625834346 /nfs/dbraw/zinc/83/43/46/625834346.db2.gz MYBHKWIRVAFBQL-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCF)C1 ZINC001027446592 625887272 /nfs/dbraw/zinc/88/72/72/625887272.db2.gz OTKQVEKSLXGOFI-CABCVRRESA-N 2 0 295.402 0.976 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027680342 630848989 /nfs/dbraw/zinc/84/89/89/630848989.db2.gz DBEJZIMNPIZZDY-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)[C@@H]1CC[NH2+]C1 ZINC000925893058 631438393 /nfs/dbraw/zinc/43/83/93/631438393.db2.gz KBVUPAUBSMXSOD-DGCLKSJQSA-N 2 0 259.357 0.953 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000841849749 631600130 /nfs/dbraw/zinc/60/01/30/631600130.db2.gz JYAQIQVQDHPMKV-MCIONIFRSA-N 2 0 272.352 0.694 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000985469922 632501629 /nfs/dbraw/zinc/50/16/29/632501629.db2.gz LJPHULUGOXFGHS-HNNXBMFYSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985787793 632642434 /nfs/dbraw/zinc/64/24/34/632642434.db2.gz QCHPODXKGWTFRF-ZDUSSCGKSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000986825358 632802663 /nfs/dbraw/zinc/80/26/63/632802663.db2.gz MHKUTQGIKDKDQE-GXTWGEPZSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001009507355 650146033 /nfs/dbraw/zinc/14/60/33/650146033.db2.gz GYXBRKPUFNOEQJ-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000913517912 636834280 /nfs/dbraw/zinc/83/42/80/636834280.db2.gz VFMAAFUECVEBNR-HZSPNIEDSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC000996929215 638844366 /nfs/dbraw/zinc/84/43/66/638844366.db2.gz MTBOFJHZVLMZOK-OAHLLOKOSA-N 2 0 295.427 0.862 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000996929213 638844474 /nfs/dbraw/zinc/84/44/74/638844474.db2.gz MTBOFJHZVLMZOK-HNNXBMFYSA-N 2 0 295.427 0.862 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000997128470 638855389 /nfs/dbraw/zinc/85/53/89/638855389.db2.gz XNYIZKBGPRSIQF-UHFFFAOYSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997187203 638858439 /nfs/dbraw/zinc/85/84/39/638858439.db2.gz QBMQTNKJNXYAPC-UHFFFAOYSA-N 2 0 286.379 0.975 20 30 CCEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997421030 638867629 /nfs/dbraw/zinc/86/76/29/638867629.db2.gz MSKZHDJXCWIHBH-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780247 638941423 /nfs/dbraw/zinc/94/14/23/638941423.db2.gz LGJOWNZQFIJFHI-NRXISQOPSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000019534 639035442 /nfs/dbraw/zinc/03/54/42/639035442.db2.gz GMHLDASHMGVQRK-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001000851988 639182079 /nfs/dbraw/zinc/18/20/79/639182079.db2.gz PPSGLBMFGUORRO-HNNXBMFYSA-N 2 0 275.396 0.852 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001014728070 650482234 /nfs/dbraw/zinc/48/22/34/650482234.db2.gz KPGFMKIJOLUIFZ-ZIAGYGMSSA-N 2 0 286.379 0.974 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043230 639361954 /nfs/dbraw/zinc/36/19/54/639361954.db2.gz MHIRAYXTGCNSRN-UHFFFAOYSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003629467 639579774 /nfs/dbraw/zinc/57/97/74/639579774.db2.gz BFAHGWNJKKBUJF-OCCSQVGLSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005178327 639886194 /nfs/dbraw/zinc/88/61/94/639886194.db2.gz HSAAXBMKFAOXHK-CQSZACIVSA-N 2 0 263.385 0.637 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535269 641333746 /nfs/dbraw/zinc/33/37/46/641333746.db2.gz ZOOWEZMEJIJPGN-AWEZNQCLSA-N 2 0 274.368 0.825 20 30 CCEDRP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003686 650673263 /nfs/dbraw/zinc/67/32/63/650673263.db2.gz MWCQKECAZJTSGP-CYBMUJFWSA-N 2 0 263.385 0.849 20 30 CCEDRP C[C@@H](C#N)OCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707789 643989646 /nfs/dbraw/zinc/98/96/46/643989646.db2.gz KXZQRTJXBBQUSA-GXTWGEPZSA-N 2 0 267.373 0.446 20 30 CCEDRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852798351 644003206 /nfs/dbraw/zinc/00/32/06/644003206.db2.gz IUTVRTOCCCYPNM-KBPBESRZSA-N 2 0 263.385 0.623 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000852874816 644036745 /nfs/dbraw/zinc/03/67/45/644036745.db2.gz CHRXMQRIYIBUFA-BXUZGUMPSA-N 2 0 270.336 0.174 20 30 CCEDRP C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C[NH3+] ZINC000852889063 644044118 /nfs/dbraw/zinc/04/41/18/644044118.db2.gz BABJXVNBJWQMPI-OCCSQVGLSA-N 2 0 263.385 0.433 20 30 CCEDRP [NH3+]Cc1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852894529 644046902 /nfs/dbraw/zinc/04/69/02/644046902.db2.gz LTMBKTAMZZENEV-UHFFFAOYSA-N 2 0 271.364 0.765 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000867963632 645689761 /nfs/dbraw/zinc/68/97/61/645689761.db2.gz HDGMRBKQAQAXCP-BBRMVZONSA-N 2 0 298.390 0.861 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001020288701 651056385 /nfs/dbraw/zinc/05/63/85/651056385.db2.gz HLIXXNIZMDQJIW-KBUPBQIOSA-N 2 0 275.396 0.873 20 30 CCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876935361 646701029 /nfs/dbraw/zinc/70/10/29/646701029.db2.gz RTYPBGWGBCYUDR-ZIBATOQPSA-N 2 0 286.379 0.987 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877387737 646808585 /nfs/dbraw/zinc/80/85/85/646808585.db2.gz QNJJUCBZWPRNFA-GMXVVIOVSA-N 2 0 250.346 0.408 20 30 CCEDRP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+](C)C ZINC000884199429 647665765 /nfs/dbraw/zinc/66/57/65/647665765.db2.gz YOLKJXIAVMJAQN-JJMZSNKZSA-N 2 0 264.373 0.192 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCCC[C@H]1[NH3+])C2 ZINC000884369487 647721858 /nfs/dbraw/zinc/72/18/58/647721858.db2.gz FRZUYBDMRYOKAF-YGFYLSKRSA-N 2 0 276.384 0.512 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[NH2+]C1CC1)C2 ZINC000884375969 647722364 /nfs/dbraw/zinc/72/23/64/647722364.db2.gz RGXKIDRWDRRLFS-AVERBVTBSA-N 2 0 276.384 0.384 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])NC[C@@H]1CCC[NH+]1CC)C1CC1 ZINC000303971359 649827280 /nfs/dbraw/zinc/82/72/80/649827280.db2.gz DLSRXGOBPOVAOD-AWEZNQCLSA-N 3 0 281.448 0.859 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001266415175 790660610 /nfs/dbraw/zinc/66/06/10/790660610.db2.gz RNIBWWRVVOMRBE-CABCVRRESA-N 2 0 277.412 0.978 20 30 CCEDRP CC[N@@H+](CC#CCOC)CCNC(=O)C[NH+]1CCCC1 ZINC001266437585 790702569 /nfs/dbraw/zinc/70/25/69/790702569.db2.gz FKNLAKXCALAAIY-UHFFFAOYSA-N 2 0 281.400 0.170 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266565586 790938173 /nfs/dbraw/zinc/93/81/73/790938173.db2.gz FLOCVVJJRSBBBA-AWEZNQCLSA-N 2 0 281.400 0.475 20 30 CCEDRP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266619183 791044562 /nfs/dbraw/zinc/04/45/62/791044562.db2.gz BYFPPQQDBXKNEE-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267068782 791496090 /nfs/dbraw/zinc/49/60/90/791496090.db2.gz ITVJQGCMMLZACI-UONOGXRCSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267086774 791521756 /nfs/dbraw/zinc/52/17/56/791521756.db2.gz QNABVBMMXPVPRA-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@H]2C1 ZINC001277942797 806415857 /nfs/dbraw/zinc/41/58/57/806415857.db2.gz DTULKMVICJQVRP-STQMWFEESA-N 2 0 276.384 0.432 20 30 CCEDRP N#Cc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871925 806511889 /nfs/dbraw/zinc/51/18/89/806511889.db2.gz ZGABUCCUTGJJAZ-UHFFFAOYSA-N 2 0 287.411 0.143 20 30 CCEDRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC ZINC001277978955 806544044 /nfs/dbraw/zinc/54/40/44/806544044.db2.gz NGJBAYPZYRZVOQ-CQSZACIVSA-N 2 0 283.416 0.415 20 30 CCEDRP C=CC[NH2+]CCN1CCC2(C[NH2+]C2)[C@@H](C(=O)OCC)C1 ZINC001237410233 806661589 /nfs/dbraw/zinc/66/15/89/806661589.db2.gz KNQFBMSLBKZUQC-CYBMUJFWSA-N 2 0 281.400 0.237 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC001120581635 798876432 /nfs/dbraw/zinc/87/64/32/798876432.db2.gz AIUXAHCSBJLNDC-ZDUSSCGKSA-N 2 0 254.374 0.197 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001121301938 799030352 /nfs/dbraw/zinc/03/03/52/799030352.db2.gz HNMCZALSJBEBDJ-SWAPUOLTSA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001122214606 799171035 /nfs/dbraw/zinc/17/10/35/799171035.db2.gz NWNNPMCZCQTVMN-ZDUSSCGKSA-N 2 0 272.352 0.342 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001122447562 799238154 /nfs/dbraw/zinc/23/81/54/799238154.db2.gz FPQTXWPBYFYBIX-MELADBBJSA-N 2 0 282.432 0.421 20 30 CCEDRP CCCCCCCCS(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239096890 806848378 /nfs/dbraw/zinc/84/83/78/806848378.db2.gz MTIHAIVBMRRTBS-UHFFFAOYSA-N 2 0 279.450 0.896 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904743 800864914 /nfs/dbraw/zinc/86/49/14/800864914.db2.gz XNVFPVKZROFJMU-OAHLLOKOSA-N 2 0 297.443 0.805 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024127 800893927 /nfs/dbraw/zinc/89/39/27/800893927.db2.gz QYISEXFMIYIQBT-CYBMUJFWSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506523 801659771 /nfs/dbraw/zinc/65/97/71/801659771.db2.gz KZFQQNZOEVWEQS-HUUCEWRRSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160428293 801940256 /nfs/dbraw/zinc/94/02/56/801940256.db2.gz ZAYFXDGZOPKZFD-ZDUSSCGKSA-N 2 0 253.390 0.692 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160833886 802024786 /nfs/dbraw/zinc/02/47/86/802024786.db2.gz BZYLGQUWJFBCTN-UHFFFAOYSA-N 2 0 277.412 0.982 20 30 CCEDRP C#CC[C@]1(C(=O)N(CC)[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC001161341608 802134240 /nfs/dbraw/zinc/13/42/40/802134240.db2.gz XARGZYXPPSUMQC-DZGCQCFKSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161559058 802182980 /nfs/dbraw/zinc/18/29/80/802182980.db2.gz WOPDRGHAJASUGQ-UHFFFAOYSA-N 2 0 270.336 0.985 20 30 CCEDRP C=CCOCC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206152105 803211363 /nfs/dbraw/zinc/21/13/63/803211363.db2.gz CHJFUZXBWZKLTE-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207683921 803437294 /nfs/dbraw/zinc/43/72/94/803437294.db2.gz IEKCLIHSYGGNOX-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590027 803548046 /nfs/dbraw/zinc/54/80/46/803548046.db2.gz USVYLGRSANNOJI-GJZGRUSLSA-N 2 0 275.396 0.446 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315251 803593861 /nfs/dbraw/zinc/59/38/61/803593861.db2.gz PMAWWEDIYWEQKR-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209419260 803603389 /nfs/dbraw/zinc/60/33/89/803603389.db2.gz JQTNXGJZZOBVKA-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209454419 803604782 /nfs/dbraw/zinc/60/47/82/803604782.db2.gz LJPCWUBEXFFYDC-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342381 803690259 /nfs/dbraw/zinc/69/02/59/803690259.db2.gz USECSGAFYCXLIS-ZIAGYGMSSA-N 2 0 295.427 0.720 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001213457978 803695207 /nfs/dbraw/zinc/69/52/07/803695207.db2.gz KFERXEDVVBRBMT-HZSPNIEDSA-N 2 0 283.416 0.718 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213678500 803699579 /nfs/dbraw/zinc/69/95/79/803699579.db2.gz ZIHPTHAMZQCAIB-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1[nH]ccc1C#N ZINC001218653919 804065078 /nfs/dbraw/zinc/06/50/78/804065078.db2.gz DGMJFQIZQXIYKY-NSHDSACASA-N 2 0 263.345 0.884 20 30 CCEDRP N#Cc1ccnnc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218701231 804088434 /nfs/dbraw/zinc/08/84/34/804088434.db2.gz SJVZEINTXDJLJJ-JTQLQIEISA-N 2 0 262.317 0.133 20 30 CCEDRP Cc1coc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1C#N ZINC001218765632 804116354 /nfs/dbraw/zinc/11/63/54/804116354.db2.gz YVVOWYIKOOAOKW-VIFPVBQESA-N 2 0 268.342 0.417 20 30 CCEDRP C#Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1F ZINC001219384216 804293894 /nfs/dbraw/zinc/29/38/94/804293894.db2.gz LHBGRGKFHHWJFB-MLGOLLRUSA-N 2 0 287.338 0.945 20 30 CCEDRP N#C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccccc1 ZINC001219558348 804348812 /nfs/dbraw/zinc/34/88/12/804348812.db2.gz OCPBWKQMXRXGCT-KBPBESRZSA-N 2 0 272.352 0.694 20 30 CCEDRP N#C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccccc1 ZINC001219558798 804349436 /nfs/dbraw/zinc/34/94/36/804349436.db2.gz WEUJFVNYMQHITR-IJEWVQPXSA-N 2 0 284.363 0.567 20 30 CCEDRP N#CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCC1 ZINC001219606875 804373322 /nfs/dbraw/zinc/37/33/22/804373322.db2.gz VWIYBOBODWXVKY-LLVKDONJSA-N 2 0 262.357 0.423 20 30 CCEDRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C[NH2+]1 ZINC001219685302 804403717 /nfs/dbraw/zinc/40/37/17/804403717.db2.gz ZITUHWCLTNRAAJ-JMSVASOKSA-N 2 0 286.379 0.542 20 30 CCEDRP C#CC[C@]1(C(=O)NC2CC3(C2)CC[NH2+]CC3)CCC[NH2+]1 ZINC001219777179 804421130 /nfs/dbraw/zinc/42/11/30/804421130.db2.gz BCXGNYUIUUGHFY-MRXNPFEDSA-N 2 0 275.396 0.780 20 30 CCEDRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001219916450 804446795 /nfs/dbraw/zinc/44/67/95/804446795.db2.gz WCNJQSUKKQUZGG-FZMZJTMJSA-N 2 0 274.368 0.494 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCCC#N ZINC001220192052 804532930 /nfs/dbraw/zinc/53/29/30/804532930.db2.gz XUCCHXABJUKLDF-LBPRGKRZSA-N 2 0 254.378 0.856 20 30 CCEDRP CC(C)(S)CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220484427 804613279 /nfs/dbraw/zinc/61/32/79/804613279.db2.gz DNWMKCNPEGRUHN-BXKDBHETSA-N 2 0 257.403 0.010 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H](C#N)CC(C)C ZINC001220700713 804652117 /nfs/dbraw/zinc/65/21/17/804652117.db2.gz NBQAPXQHVWYBAI-RYUDHWBXSA-N 2 0 254.378 0.758 20 30 CCEDRP C=C1CC=C(F)C=C1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220797745 804668685 /nfs/dbraw/zinc/66/86/85/804668685.db2.gz VMSZZGRYEUKFOI-LLVKDONJSA-N 2 0 263.316 0.609 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001272172983 815037163 /nfs/dbraw/zinc/03/71/63/815037163.db2.gz UOAUPGIPPSRWGH-HNNXBMFYSA-N 2 0 295.427 0.368 20 30 CCEDRP C=CC[NH2+]CCN1CC2(C[C@H]1C(=O)OCC)CC[NH2+]CC2 ZINC001222215462 804883204 /nfs/dbraw/zinc/88/32/04/804883204.db2.gz FCVRVYSDSWXHAV-AWEZNQCLSA-N 2 0 295.427 0.769 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001224245866 805018212 /nfs/dbraw/zinc/01/82/12/805018212.db2.gz IJGJIIOQACSYOC-CABCVRRESA-N 2 0 277.412 0.883 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999249 805495141 /nfs/dbraw/zinc/49/51/41/805495141.db2.gz QJZFNCIJHXGJLV-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+](C)C)C1 ZINC001278396706 807066220 /nfs/dbraw/zinc/06/62/20/807066220.db2.gz BXJJMPINWFPDCB-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245982525 807105582 /nfs/dbraw/zinc/10/55/82/807105582.db2.gz SJVGPNIRIZBZHB-ZIAGYGMSSA-N 2 0 266.385 0.509 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024151 807122535 /nfs/dbraw/zinc/12/25/35/807122535.db2.gz OXHYIHYPTXJHOJ-IHRRRGAJSA-N 2 0 253.390 0.339 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001252483297 807888137 /nfs/dbraw/zinc/88/81/37/807888137.db2.gz SEIJKBAZKUVVOK-UONOGXRCSA-N 2 0 256.390 0.871 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CC12CC[NH+](CC1)CC2 ZINC001252488364 807891524 /nfs/dbraw/zinc/89/15/24/807891524.db2.gz LMESXCPVBLELGP-CYBMUJFWSA-N 2 0 254.374 0.625 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278805172 808275295 /nfs/dbraw/zinc/27/52/95/808275295.db2.gz JRVBZNHAOLQWAU-GDBMZVCRSA-N 2 0 295.427 0.149 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001278873500 808410891 /nfs/dbraw/zinc/41/08/91/808410891.db2.gz JFDPGRZLBSVZRQ-UONOGXRCSA-N 2 0 285.432 0.510 20 30 CCEDRP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882652 808425358 /nfs/dbraw/zinc/42/53/58/808425358.db2.gz LDFIUVQNQIBQEU-HUUCEWRRSA-N 2 0 297.443 0.655 20 30 CCEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001261552137 809018061 /nfs/dbraw/zinc/01/80/61/809018061.db2.gz HMTJHHMRBQRZCU-KBPBESRZSA-N 2 0 295.431 0.150 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001263168835 809468297 /nfs/dbraw/zinc/46/82/97/809468297.db2.gz XXJSDJJRKUVSFM-OLZOCXBDSA-N 2 0 269.389 0.243 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001263995748 809619751 /nfs/dbraw/zinc/61/97/51/809619751.db2.gz KLMNEHYBXINOBJ-RWMBFGLXSA-N 2 0 251.374 0.561 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265378405 809768045 /nfs/dbraw/zinc/76/80/45/809768045.db2.gz LBQDMNDHXJXXFL-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001265687968 809826613 /nfs/dbraw/zinc/82/66/13/809826613.db2.gz KDRASWSSBZYYGT-AWEZNQCLSA-N 2 0 275.396 0.686 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001265774164 809849768 /nfs/dbraw/zinc/84/97/68/809849768.db2.gz AWWJPNRHZLTQDH-BFHYXJOUSA-N 2 0 281.400 0.071 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265785745 809853019 /nfs/dbraw/zinc/85/30/19/809853019.db2.gz GWPCVZWIOTUADW-HUUCEWRRSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001279229285 809972733 /nfs/dbraw/zinc/97/27/33/809972733.db2.gz LNVSZDNZPPLXQP-UYSNPLJNSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CC[NH2+]CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001279429540 809978834 /nfs/dbraw/zinc/97/88/34/809978834.db2.gz DSGQABYGOQBXAD-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001267283009 811092209 /nfs/dbraw/zinc/09/22/09/811092209.db2.gz ZMECUHWMCRIBIU-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038269867 811120247 /nfs/dbraw/zinc/12/02/47/811120247.db2.gz SNEOVKKGPHTFOT-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)C[NH2+][C@H](CC)CNC(=O)CCN1CCOCC1 ZINC001267822896 811818602 /nfs/dbraw/zinc/81/86/02/811818602.db2.gz XGBDWILJNGTDHQ-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267956337 811892945 /nfs/dbraw/zinc/89/29/45/811892945.db2.gz CVUWUZWNSGTMEG-HUUCEWRRSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268014620 811952444 /nfs/dbraw/zinc/95/24/44/811952444.db2.gz VMVMIRDKAJBJLI-CABCVRRESA-N 2 0 297.443 0.873 20 30 CCEDRP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268150894 812307580 /nfs/dbraw/zinc/30/75/80/812307580.db2.gz NTOPGJGGXMHUPS-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)Cn1ccnc1)C(C)C ZINC001268226973 812385231 /nfs/dbraw/zinc/38/52/31/812385231.db2.gz GEATWOXVXJKSKR-GFCCVEGCSA-N 2 0 250.346 0.800 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001028447194 812710586 /nfs/dbraw/zinc/71/05/86/812710586.db2.gz NMJWBQMLHHZPKS-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636844 813074983 /nfs/dbraw/zinc/07/49/83/813074983.db2.gz ROULNWRYDGAQIG-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCOCC[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001268879795 813130272 /nfs/dbraw/zinc/13/02/72/813130272.db2.gz WFILRVRCKPTDSG-CQSZACIVSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)CCC)C1CC1 ZINC001269140998 813236765 /nfs/dbraw/zinc/23/67/65/813236765.db2.gz VNQDDXVHMNQRBG-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028985352 813724974 /nfs/dbraw/zinc/72/49/74/813724974.db2.gz KKQJPELMQZQSCW-KBPBESRZSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001029002909 813744553 /nfs/dbraw/zinc/74/45/53/813744553.db2.gz DKTRPTFLHPMOHX-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001271701465 814517019 /nfs/dbraw/zinc/51/70/19/814517019.db2.gz YEXPKAXSNYJVOR-LSDHHAIUSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271860145 814614135 /nfs/dbraw/zinc/61/41/35/814614135.db2.gz GKBLWSPWPBPRAW-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C[C@@H](CC[NH2+]C[C@@H](O)CN(C)CCC#N)[NH+](C)C ZINC001120488871 816089469 /nfs/dbraw/zinc/08/94/69/816089469.db2.gz KZHCBNILNMJZKC-QWHCGFSZSA-N 2 0 256.394 0.123 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127262648 816535112 /nfs/dbraw/zinc/53/51/12/816535112.db2.gz PGBAUFBCJKFUHQ-KBPBESRZSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001106249820 816687849 /nfs/dbraw/zinc/68/78/49/816687849.db2.gz RPJTVWMIXJVFRM-YUELXQCFSA-N 2 0 277.412 0.644 20 30 CCEDRP N#Cc1cccc(CN2CCNC[C@]23CC[NH2+]C3)c1F ZINC001234995346 816791248 /nfs/dbraw/zinc/79/12/48/816791248.db2.gz WBVYWUHCEHTWPE-OAHLLOKOSA-N 2 0 274.343 0.835 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978438 817515875 /nfs/dbraw/zinc/51/58/75/817515875.db2.gz SSNKPNGEJVRMKV-YPMHNXCESA-N 2 0 251.374 0.418 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186209 817683905 /nfs/dbraw/zinc/68/39/05/817683905.db2.gz LAOWEWRORYOPMC-ZDUSSCGKSA-N 2 0 251.374 0.562 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273001845 818295377 /nfs/dbraw/zinc/29/53/77/818295377.db2.gz NLXFBEVCJNMKQS-HUUCEWRRSA-N 2 0 297.443 0.707 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710659213 819861451 /nfs/dbraw/zinc/86/14/51/819861451.db2.gz VAXZPSSVGUOINK-LBPRGKRZSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CCN1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273144425 819896448 /nfs/dbraw/zinc/89/64/48/819896448.db2.gz PUVLHYTTYJVXGV-NVXWUHKLSA-N 2 0 289.423 0.886 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080786499 820639407 /nfs/dbraw/zinc/63/94/07/820639407.db2.gz NFSJSSFFWYUGSK-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133396 820904649 /nfs/dbraw/zinc/90/46/49/820904649.db2.gz ACMSPCSOILWFOY-RBSFLKMASA-N 2 0 295.427 0.862 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082132814 820905838 /nfs/dbraw/zinc/90/58/38/820905838.db2.gz SLYPSERGRYRBAO-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083120032 821137063 /nfs/dbraw/zinc/13/70/63/821137063.db2.gz WFTXQXVWYNMESE-QLFBSQMISA-N 2 0 295.427 0.814 20 30 CCEDRP C#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001085674446 821890798 /nfs/dbraw/zinc/89/07/98/821890798.db2.gz WHBIWGVHESQZMX-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085972645 822046919 /nfs/dbraw/zinc/04/69/19/822046919.db2.gz FIIBEEPHHWQWMK-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001086084676 822107374 /nfs/dbraw/zinc/10/73/74/822107374.db2.gz AXMVIOLUIJOUJW-QLFBSQMISA-N 2 0 277.412 0.977 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001086194635 822149439 /nfs/dbraw/zinc/14/94/39/822149439.db2.gz IOFVTTFARJIBRS-FRRDWIJNSA-N 2 0 286.379 0.947 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001273418527 822194926 /nfs/dbraw/zinc/19/49/26/822194926.db2.gz BAWOLJQCQVFFPH-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063859 822208134 /nfs/dbraw/zinc/20/81/34/822208134.db2.gz DYWTWVAHRFMLFL-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086326998 822208931 /nfs/dbraw/zinc/20/89/31/822208931.db2.gz LCFOTCVWYIDDLZ-AVGNSLFASA-N 2 0 251.374 0.751 20 30 CCEDRP CC#CCN1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287073 822301527 /nfs/dbraw/zinc/30/15/27/822301527.db2.gz KEBKLAAEUKPBBO-MRXNPFEDSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681437 838172890 /nfs/dbraw/zinc/17/28/90/838172890.db2.gz BPTLJQXLKSCWHK-GDBMZVCRSA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CCn2ccnc2)CC[C@H]1C ZINC001132221352 838339716 /nfs/dbraw/zinc/33/97/16/838339716.db2.gz GGLAIKRTWSJQLO-ZIAGYGMSSA-N 2 0 274.368 0.876 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132984039 838530463 /nfs/dbraw/zinc/53/04/63/838530463.db2.gz VYCCYAGPXOQIDW-UHFFFAOYSA-N 2 0 295.383 0.863 20 30 CCEDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133294524 838592809 /nfs/dbraw/zinc/59/28/09/838592809.db2.gz MENODGHEHQVQMD-UHFFFAOYSA-N 2 0 280.397 0.777 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020683 838819767 /nfs/dbraw/zinc/81/97/67/838819767.db2.gz FMERJQAVEVWXEM-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP Cc1nc(Cl)c(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170897082 839542764 /nfs/dbraw/zinc/54/27/64/839542764.db2.gz CUAKZIGDJXUGIQ-MRVPVSSYSA-N 2 0 254.725 0.746 20 30 CCEDRP C=CCCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215848 840126730 /nfs/dbraw/zinc/12/67/30/840126730.db2.gz DDAHJCBEURKCIN-UHFFFAOYSA-N 2 0 271.405 0.627 20 30 CCEDRP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899699 840957769 /nfs/dbraw/zinc/95/77/69/840957769.db2.gz XBSGJYPCMNNMDZ-UONOGXRCSA-N 2 0 295.427 0.291 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273458610 841113363 /nfs/dbraw/zinc/11/33/63/841113363.db2.gz QJHCWGZACZOFQB-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001095057996 842021775 /nfs/dbraw/zinc/02/17/75/842021775.db2.gz ZUAKXYCBKAHROV-KKUMJFAQSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC001176926859 842453039 /nfs/dbraw/zinc/45/30/39/842453039.db2.gz YADNZIWUJGGPAV-UHFFFAOYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176992430 842480514 /nfs/dbraw/zinc/48/05/14/842480514.db2.gz OZHVZUFGWOMNLR-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150716535 842592072 /nfs/dbraw/zinc/59/20/72/842592072.db2.gz SFXVSLPJUXKAQE-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cncc2C)[C@H]1C ZINC001179150766 842967518 /nfs/dbraw/zinc/96/75/18/842967518.db2.gz ZNWLFHGMIYKMQC-KBPBESRZSA-N 2 0 274.368 0.794 20 30 CCEDRP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001273467529 843303044 /nfs/dbraw/zinc/30/30/44/843303044.db2.gz UKURJUITXWOUGE-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001181008850 843372199 /nfs/dbraw/zinc/37/21/99/843372199.db2.gz LTTDTSKSQJAIMA-IJEWVQPXSA-N 2 0 293.411 0.024 20 30 CCEDRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001190900807 845524809 /nfs/dbraw/zinc/52/48/09/845524809.db2.gz SGYHUDBMSVTKFS-LSDHHAIUSA-N 2 0 295.427 0.509 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192353227 845826653 /nfs/dbraw/zinc/82/66/53/845826653.db2.gz BRKGBISQBQCHEO-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462803 846082495 /nfs/dbraw/zinc/08/24/95/846082495.db2.gz PZSCIZWQALCBHL-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193643330 846135576 /nfs/dbraw/zinc/13/55/76/846135576.db2.gz SNQQDLNZYGOUTJ-AWEZNQCLSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001194155593 846223667 /nfs/dbraw/zinc/22/36/67/846223667.db2.gz VXMRUSFKOJSBOK-CABCVRRESA-N 2 0 293.411 0.263 20 30 CCEDRP C#CCN1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196350074 846727832 /nfs/dbraw/zinc/72/78/32/846727832.db2.gz SFFMWUNFJSFGHI-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001251896245 847412567 /nfs/dbraw/zinc/41/25/67/847412567.db2.gz DUADJGHJPJVUPO-MRXNPFEDSA-N 2 0 280.412 0.851 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201494544 847786589 /nfs/dbraw/zinc/78/65/89/847786589.db2.gz VIDHEAGOJPCCQW-AWEZNQCLSA-N 2 0 290.367 0.183 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001202504660 848003216 /nfs/dbraw/zinc/00/32/16/848003216.db2.gz VHDFPFXBXKCFJW-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114488804 848084723 /nfs/dbraw/zinc/08/47/23/848084723.db2.gz UADPGNDKEWDWRG-ITGUQSILSA-N 2 0 265.401 0.949 20 30 CCEDRP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001274014492 848302044 /nfs/dbraw/zinc/30/20/44/848302044.db2.gz XHOYETAFJRKGIC-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C=CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001274014517 848302178 /nfs/dbraw/zinc/30/21/78/848302178.db2.gz YLESNOKJFKDSNQ-UHFFFAOYSA-N 2 0 295.427 0.913 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275411858 848714967 /nfs/dbraw/zinc/71/49/67/848714967.db2.gz DKKYCPJELJQMLZ-OLZOCXBDSA-N 2 0 265.401 0.977 20 30 CCEDRP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038921108 850083291 /nfs/dbraw/zinc/08/32/91/850083291.db2.gz QDQRDTAZHMAVQX-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC3CC3)C2)CC1 ZINC001044335966 851079905 /nfs/dbraw/zinc/07/99/05/851079905.db2.gz SUNBQUDOCVCYNN-UHFFFAOYSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174713 852186053 /nfs/dbraw/zinc/18/60/53/852186053.db2.gz XWNSXNOIEOBXHY-GASCZTMLSA-N 2 0 287.407 0.496 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001054969887 853045559 /nfs/dbraw/zinc/04/55/59/853045559.db2.gz WJMKHTUNXRPLIZ-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073856994 854655756 /nfs/dbraw/zinc/65/57/56/854655756.db2.gz WLSDXGJIDUBRHN-AWEZNQCLSA-N 2 0 293.411 0.475 20 30 CCEDRP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404539 854863277 /nfs/dbraw/zinc/86/32/77/854863277.db2.gz OXSMYCNESQMRSQ-OAHLLOKOSA-N 2 0 297.443 0.798 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099159930 854918340 /nfs/dbraw/zinc/91/83/40/854918340.db2.gz MIRSDGJUGNRFRI-DZKIICNBSA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986080 855061798 /nfs/dbraw/zinc/06/17/98/855061798.db2.gz HUFGHTGBSZRANY-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100084829 855096116 /nfs/dbraw/zinc/09/61/16/855096116.db2.gz BPOPRNRGZSDFPW-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001100678334 855207685 /nfs/dbraw/zinc/20/76/85/855207685.db2.gz HNBPQAVNQOMQAY-HSBZDZAISA-N 2 0 265.401 0.999 20 30 CCEDRP C[C@H]([NH3+])C1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001118202996 856201335 /nfs/dbraw/zinc/20/13/35/856201335.db2.gz KWZMJDDOWNQNBK-CMPLNLGQSA-N 2 0 252.362 0.593 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC001118217204 856207724 /nfs/dbraw/zinc/20/77/24/856207724.db2.gz ZRTQFYGFUFFZOE-ZDUSSCGKSA-N 2 0 282.388 0.236 20 30 CCEDRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)n1 ZINC001326063610 913727334 /nfs/dbraw/zinc/72/73/34/913727334.db2.gz QBAVOFYXTIQXKR-NSHDSACASA-N 2 0 278.360 0.404 20 30 CCEDRP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001481813000 893177614 /nfs/dbraw/zinc/17/76/14/893177614.db2.gz BSTWUYZFHNWXIF-FRRDWIJNSA-N 2 0 253.390 0.997 20 30 CCEDRP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482597241 894370767 /nfs/dbraw/zinc/37/07/67/894370767.db2.gz UGUQBJQWTQBGKR-UONOGXRCSA-N 2 0 265.401 0.740 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001326288628 913869600 /nfs/dbraw/zinc/86/96/00/913869600.db2.gz OXMWWMRFBDWYSL-SDDRHHMPSA-N 2 0 250.346 0.218 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482899894 894671401 /nfs/dbraw/zinc/67/14/01/894671401.db2.gz YBRINXKBJTZSFA-CABCVRRESA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482899895 894671520 /nfs/dbraw/zinc/67/15/20/894671520.db2.gz YBRINXKBJTZSFA-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950496 894727018 /nfs/dbraw/zinc/72/70/18/894727018.db2.gz UFRZJBDLUAMJIR-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483050849 894851406 /nfs/dbraw/zinc/85/14/06/894851406.db2.gz MATQRLZQEBEMOI-BEVHLOIGSA-N 2 0 263.385 0.612 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001483585473 895665286 /nfs/dbraw/zinc/66/52/86/895665286.db2.gz KLEDMIYKIQKXIL-ZIAGYGMSSA-N 2 0 265.401 0.690 20 30 CCEDRP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC#C)CC1 ZINC001483983470 896140696 /nfs/dbraw/zinc/14/06/96/896140696.db2.gz CAHKJWCQCDJLOY-MRXNPFEDSA-N 2 0 289.423 0.886 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001484248644 896286209 /nfs/dbraw/zinc/28/62/09/896286209.db2.gz OOTGUPRKTDNKGY-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484550192 896466951 /nfs/dbraw/zinc/46/69/51/896466951.db2.gz QYDFYPPTNLSETQ-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001484643512 896513857 /nfs/dbraw/zinc/51/38/57/896513857.db2.gz VHKBYDVXLJHXME-UHFFFAOYSA-N 2 0 275.396 0.877 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001484697430 896555074 /nfs/dbraw/zinc/55/50/74/896555074.db2.gz VCCUDFOLTRTPSM-KGLIPLIRSA-N 2 0 281.400 0.023 20 30 CCEDRP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485772510 897238397 /nfs/dbraw/zinc/23/83/97/897238397.db2.gz LMJDSMUKEXEZDY-HNNXBMFYSA-N 2 0 293.411 0.026 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485814711 897278816 /nfs/dbraw/zinc/27/88/16/897278816.db2.gz UFZDJVUDCRCXQT-CQSZACIVSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077779635 897488450 /nfs/dbraw/zinc/48/84/50/897488450.db2.gz ZJMIHMFLQJZGEO-HUUCEWRRSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032479067 897627744 /nfs/dbraw/zinc/62/77/44/897627744.db2.gz CQIFVXSAKVYYAR-SOUVJXGZSA-N 2 0 275.396 0.779 20 30 CCEDRP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@@H+](C)CC)C1 ZINC001486126889 898688233 /nfs/dbraw/zinc/68/82/33/898688233.db2.gz DWWJZXDIMSBAOT-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486316547 898777642 /nfs/dbraw/zinc/77/76/42/898777642.db2.gz DCXWTZYJDIAADI-NWDGAFQWSA-N 2 0 289.807 0.100 20 30 CCEDRP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001486358802 898816415 /nfs/dbraw/zinc/81/64/15/898816415.db2.gz KBSSJLHTTZIZCK-AWEZNQCLSA-N 2 0 294.399 0.519 20 30 CCEDRP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486388980 898851661 /nfs/dbraw/zinc/85/16/61/898851661.db2.gz HBYPGFLUZCDJBX-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001486476985 898895595 /nfs/dbraw/zinc/89/55/95/898895595.db2.gz WLTIUCCPQKFSKA-WLYUNCDWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325126115 899903571 /nfs/dbraw/zinc/90/35/71/899903571.db2.gz LNXIWWANGNJQIU-INIZCTEOSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001490856635 902176810 /nfs/dbraw/zinc/17/68/10/902176810.db2.gz JGKXDKCMZANOAK-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001327604491 914651548 /nfs/dbraw/zinc/65/15/48/914651548.db2.gz WEMBGFTYWNXSAR-HIFRSBDPSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001490925397 903254918 /nfs/dbraw/zinc/25/49/18/903254918.db2.gz BZBVTVCCUWXINN-IHRRRGAJSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001282067602 904403643 /nfs/dbraw/zinc/40/36/43/904403643.db2.gz WLEDDAXQAPWSSH-UHFFFAOYSA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001282493160 904491686 /nfs/dbraw/zinc/49/16/86/904491686.db2.gz AUIUEDWISMSQLZ-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[N@H+](C)CCOCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001283420745 904845594 /nfs/dbraw/zinc/84/55/94/904845594.db2.gz ASOSZJCLCLBFBS-INIZCTEOSA-N 2 0 295.427 0.723 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001284438232 905294180 /nfs/dbraw/zinc/29/41/80/905294180.db2.gz GXXAVHPIRAGOCA-CQSZACIVSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001284448738 905301373 /nfs/dbraw/zinc/30/13/73/905301373.db2.gz SENLLCFNAPOWEO-GJZGRUSLSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001491579695 907416610 /nfs/dbraw/zinc/41/66/10/907416610.db2.gz TXNNIRKNEIUYEX-CHWSQXEVSA-N 2 0 253.390 0.834 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001491729333 907539228 /nfs/dbraw/zinc/53/92/28/907539228.db2.gz VLGDUKIYIIOZPF-KBPBESRZSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001491809729 907611842 /nfs/dbraw/zinc/61/18/42/907611842.db2.gz ZJPXRLMLQOMTSQ-HUUCEWRRSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001492110373 907706446 /nfs/dbraw/zinc/70/64/46/907706446.db2.gz DVEPCGTUUCCUOO-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317090793 908973795 /nfs/dbraw/zinc/97/37/95/908973795.db2.gz FTUOITBITWDZJZ-MGPQQGTHSA-N 2 0 265.401 0.833 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317343445 909151718 /nfs/dbraw/zinc/15/17/18/909151718.db2.gz KYJNOFBMHVWGNU-KBPBESRZSA-N 2 0 265.401 0.644 20 30 CCEDRP C=CC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001318594680 909830555 /nfs/dbraw/zinc/83/05/55/909830555.db2.gz JOEXFZKOFQCWCT-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001319819930 910309372 /nfs/dbraw/zinc/30/93/72/910309372.db2.gz MJOBDUMEIYQZOY-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC#CCOC)C(C)C)[NH+](C)C ZINC001319942969 910361127 /nfs/dbraw/zinc/36/11/27/910361127.db2.gz GGKJJYGGNLYWRD-GJZGRUSLSA-N 2 0 297.443 0.707 20 30 CCEDRP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001329148889 915708412 /nfs/dbraw/zinc/70/84/12/915708412.db2.gz GNTOUNVECDICOR-QWHCGFSZSA-N 2 0 283.416 0.766 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001330422517 916620706 /nfs/dbraw/zinc/62/07/06/916620706.db2.gz CSNJTIQRWYUCFI-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)CCC)CCO1 ZINC001330423486 916623658 /nfs/dbraw/zinc/62/36/58/916623658.db2.gz HCOWVLFAIDOETF-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332678653 918375555 /nfs/dbraw/zinc/37/55/55/918375555.db2.gz QYMCGDZNCUVAGN-OAHLLOKOSA-N 2 0 297.443 0.800 20 30 CCEDRP CC[NH+]1CCN(CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001332928764 918540134 /nfs/dbraw/zinc/54/01/34/918540134.db2.gz LVONHYWOTYJBBN-CQSZACIVSA-N 2 0 295.431 0.151 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC001335425937 920190565 /nfs/dbraw/zinc/19/05/65/920190565.db2.gz KIDLFKVTIVIGMI-ZIAGYGMSSA-N 2 0 254.374 0.053 20 30 CCEDRP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001340107347 921961219 /nfs/dbraw/zinc/96/12/19/921961219.db2.gz XYRMMHAVXRXGGM-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[C@@H]2CSCC[NH2+]2)CCC[NH2+]1 ZINC001340527557 922110661 /nfs/dbraw/zinc/11/06/61/922110661.db2.gz PSQQKRZTFWSXKQ-OCCSQVGLSA-N 2 0 283.441 0.896 20 30 CCEDRP C[NH2+][C@H](CNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC001341764028 922662714 /nfs/dbraw/zinc/66/27/14/922662714.db2.gz HPDQLNUCVVCKOH-KRWDZBQOSA-N 2 0 299.418 0.936 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001342238087 922872950 /nfs/dbraw/zinc/87/29/50/922872950.db2.gz LCRNNRUYHXYLAP-QWHCGFSZSA-N 2 0 269.389 0.507 20 30 CCEDRP CCN(C(=O)C#CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001342854298 923114413 /nfs/dbraw/zinc/11/44/13/923114413.db2.gz TWMIMGUHYGKKSQ-UHFFFAOYSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC001346374906 924177485 /nfs/dbraw/zinc/17/74/85/924177485.db2.gz BUVKCUGATBXXOZ-QWHCGFSZSA-N 2 0 263.385 0.588 20 30 CCEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001348860967 924831144 /nfs/dbraw/zinc/83/11/44/924831144.db2.gz SHMKVDZWPGSGAI-UPJWGTAASA-N 2 0 266.389 0.806 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC001349825817 925072911 /nfs/dbraw/zinc/07/29/11/925072911.db2.gz ZGPZAAMDWRGBDI-RNFRBKRXSA-N 2 0 252.240 0.013 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480120936 925531391 /nfs/dbraw/zinc/53/13/91/925531391.db2.gz WNEMGOBFCKNCRY-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001445297757 930089275 /nfs/dbraw/zinc/08/92/75/930089275.db2.gz ZAPRZUPWIDWHAZ-UHFFFAOYSA-N 2 0 282.432 0.246 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1C ZINC000601851279 362410073 /nfs/dbraw/zinc/41/00/73/362410073.db2.gz JUGQUQDJTRTBNO-CHWSQXEVSA-N 2 0 266.389 0.806 20 30 CCEDRP Cn1cc(C#N)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000081750129 349281879 /nfs/dbraw/zinc/28/18/79/349281879.db2.gz YSIQOVNZSGOZLR-UHFFFAOYSA-N 2 0 291.399 0.462 20 30 CCEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)N1CC[NH+](C)CC1 ZINC000104182690 295940835 /nfs/dbraw/zinc/94/08/35/295940835.db2.gz FDBOTGIFILPWIK-LBPRGKRZSA-N 2 0 255.410 0.102 20 30 CCEDRP CN1CCN(C(=O)NCc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000573094471 358937651 /nfs/dbraw/zinc/93/76/51/358937651.db2.gz CEAJDGBKNDLCGD-CQSZACIVSA-N 2 0 287.367 0.343 20 30 CCEDRP C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+]1CCCC1 ZINC000591729132 359648570 /nfs/dbraw/zinc/64/85/70/359648570.db2.gz PRDQIBOCUBGEHN-CABCVRRESA-N 2 0 282.432 0.514 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570767 359895548 /nfs/dbraw/zinc/89/55/48/359895548.db2.gz QNVYQLIFCQJGJP-VXGBXAGGSA-N 2 0 264.373 0.798 20 30 CCEDRP C[C@@H](NC(=O)[C@@]1(C#N)CC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000592958542 360000106 /nfs/dbraw/zinc/00/01/06/360000106.db2.gz DCBKGSRZUJUJAA-BXUZGUMPSA-N 2 0 264.373 0.336 20 30 CCEDRP C[C@](C[NH3+])(NC(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594424429 360299717 /nfs/dbraw/zinc/29/97/17/360299717.db2.gz DJVMABIGOKQJHG-WCQYABFASA-N 2 0 252.362 0.641 20 30 CCEDRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594435955 360304844 /nfs/dbraw/zinc/30/48/44/360304844.db2.gz BOTRFIXDGGRGTR-NWDGAFQWSA-N 2 0 254.378 0.854 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437648 360305547 /nfs/dbraw/zinc/30/55/47/360305547.db2.gz WVQOJDCVVJOLNJ-NWDGAFQWSA-N 2 0 266.389 0.902 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000594444346 360311037 /nfs/dbraw/zinc/31/10/37/360311037.db2.gz PNIDASNSHSOARQ-HZSPNIEDSA-N 2 0 278.400 0.856 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000594443706 360311820 /nfs/dbraw/zinc/31/18/20/360311820.db2.gz IDKQZVWOQFJWLP-STQMWFEESA-N 2 0 266.389 0.985 20 30 CCEDRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C[NH3+] ZINC000594455562 360317393 /nfs/dbraw/zinc/31/73/93/360317393.db2.gz ZEBNSHQUFJXBPF-JHJVBQTASA-N 2 0 282.388 0.220 20 30 CCEDRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594466594 360320811 /nfs/dbraw/zinc/32/08/11/360320811.db2.gz AYSWSNXSDCIECM-NSHDSACASA-N 2 0 254.378 0.902 20 30 CCEDRP C[NH+](C)CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594469638 360320825 /nfs/dbraw/zinc/32/08/25/360320825.db2.gz JQFXFHUCXMMDKI-CYBMUJFWSA-N 2 0 266.389 0.950 20 30 CCEDRP C=CCCSCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000594718989 360366014 /nfs/dbraw/zinc/36/60/14/360366014.db2.gz XYPLMDCUTRRICC-AWEZNQCLSA-N 2 0 287.473 0.494 20 30 CCEDRP C=CCCSCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000594718990 360366321 /nfs/dbraw/zinc/36/63/21/360366321.db2.gz XYPLMDCUTRRICC-CQSZACIVSA-N 2 0 287.473 0.494 20 30 CCEDRP C[C@H](CCNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+](C)C ZINC000595938900 360715056 /nfs/dbraw/zinc/71/50/56/360715056.db2.gz RAAARNSHUANKTF-NEPJUHHUSA-N 2 0 254.378 0.854 20 30 CCEDRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000595999134 360771393 /nfs/dbraw/zinc/77/13/93/360771393.db2.gz LENPEYMRVREJAR-KGLIPLIRSA-N 2 0 296.415 0.577 20 30 CCEDRP CN(CCC[NH+](C)C)CCNC(=O)NCC1(C#N)CCC1 ZINC000596633108 360934537 /nfs/dbraw/zinc/93/45/37/360934537.db2.gz WRKCHEODVIXIER-UHFFFAOYSA-N 2 0 295.431 0.863 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598667206 361476230 /nfs/dbraw/zinc/47/62/30/361476230.db2.gz FYONIUPDQJROLP-DYEKYZERSA-N 2 0 264.373 0.737 20 30 CCEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000598701549 361489714 /nfs/dbraw/zinc/48/97/14/361489714.db2.gz WVPJKQMYEXUDTA-CQSZACIVSA-N 2 0 283.416 0.989 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719158 361496221 /nfs/dbraw/zinc/49/62/21/361496221.db2.gz HXIKQKVPDKLUGH-ZIAGYGMSSA-N 2 0 282.432 0.513 20 30 CCEDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1(C)C ZINC000598725651 361496608 /nfs/dbraw/zinc/49/66/08/361496608.db2.gz YJQPJOKDCYWJQC-CQSZACIVSA-N 2 0 296.459 0.903 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638643239 375248665 /nfs/dbraw/zinc/24/86/65/375248665.db2.gz ZMCMUZCGPVRCSE-MBNYWOFBSA-N 2 0 251.374 0.941 20 30 CCEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000103338613 389077161 /nfs/dbraw/zinc/07/71/61/389077161.db2.gz INEUFGILNKASQJ-CYBMUJFWSA-N 2 0 293.415 0.581 20 30 CCEDRP COc1ccccc1CNC(=[NH2+])NCCn1ccnc1 ZINC000170906909 389467411 /nfs/dbraw/zinc/46/74/11/389467411.db2.gz GDOKGRIPOAFAKP-UHFFFAOYSA-N 2 0 273.340 0.996 20 30 CCEDRP C=CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430628635 389814659 /nfs/dbraw/zinc/81/46/59/389814659.db2.gz OWFUCJDBXGMXBT-ZDUSSCGKSA-N 2 0 251.374 0.706 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442633194 389851837 /nfs/dbraw/zinc/85/18/37/389851837.db2.gz CCICDPGAHWSMNY-UONOGXRCSA-N 2 0 250.390 0.906 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345695 389987241 /nfs/dbraw/zinc/98/72/41/389987241.db2.gz WKTWWGILBLOONT-CHWSQXEVSA-N 2 0 294.399 0.320 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000491308889 390111798 /nfs/dbraw/zinc/11/17/98/390111798.db2.gz WSTUDUKWIVXNFJ-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578979417 390130748 /nfs/dbraw/zinc/13/07/48/390130748.db2.gz FSLGWSCOIBETNQ-JSGCOSHPSA-N 2 0 264.373 0.610 20 30 CCEDRP C=CC[C@H](CC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563003317 390491907 /nfs/dbraw/zinc/49/19/07/390491907.db2.gz QPGJFZHHPAZCKL-UONOGXRCSA-N 2 0 255.406 0.539 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239432 390875891 /nfs/dbraw/zinc/87/58/91/390875891.db2.gz SZJPXACWQCVUNF-AWEZNQCLSA-N 2 0 281.400 0.379 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662448549 414719428 /nfs/dbraw/zinc/71/94/28/414719428.db2.gz OWGHDQCCYRWOET-ZDUSSCGKSA-N 2 0 269.389 0.505 20 30 CCEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000491121684 261337287 /nfs/dbraw/zinc/33/72/87/261337287.db2.gz RQQPBPQMVIYAJF-UHFFFAOYSA-N 2 0 273.380 0.977 20 30 CCEDRP CN1CC[NH+]=C1NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000284950698 263088580 /nfs/dbraw/zinc/08/85/80/263088580.db2.gz DUPOCMAWAFKABD-HNNXBMFYSA-N 2 0 288.395 0.297 20 30 CCEDRP C[NH+](C)CCOc1cc(CNC(=[NH2+])NC2CC2)ccn1 ZINC000305680513 649860838 /nfs/dbraw/zinc/86/08/38/649860838.db2.gz MRRGGNNHLASYFK-UHFFFAOYSA-N 2 0 277.372 0.589 20 30 CCEDRP C=CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272967103 328202216 /nfs/dbraw/zinc/20/22/16/328202216.db2.gz QCVQXJGWRWBLLW-HNNXBMFYSA-N 2 0 288.395 0.844 20 30 CCEDRP CC(C)(C)[C@@H](CO)[NH2+]CC#CC[NH2+][C@H](CO)C(C)(C)C ZINC000556531269 326949466 /nfs/dbraw/zinc/94/94/66/326949466.db2.gz SLBZFIDSIVVUEL-ZIAGYGMSSA-N 2 0 284.444 0.983 20 30 CCEDRP CC1(C)CN(CCNC(=[NH2+])NCC2CCC2)CCO1 ZINC000170912899 329072315 /nfs/dbraw/zinc/07/23/15/329072315.db2.gz ABIDCGMQEATMEV-UHFFFAOYSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[C@]1(C)CCN(C(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)C1 ZINC000261659166 329975107 /nfs/dbraw/zinc/97/51/07/329975107.db2.gz AWSQWPOJJHGWBQ-GOEBONIOSA-N 2 0 293.459 0.684 20 30 CCEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC2CCCCCC2)C1 ZINC000262346491 330007257 /nfs/dbraw/zinc/00/72/57/330007257.db2.gz XZQCKDJIOSZWHT-AWEZNQCLSA-N 2 0 268.405 0.680 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262675208 330026058 /nfs/dbraw/zinc/02/60/58/330026058.db2.gz SXCRUQOASVEILJ-NEPJUHHUSA-N 2 0 254.378 0.281 20 30 CCEDRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCSC1 ZINC000424127973 330259502 /nfs/dbraw/zinc/25/95/02/330259502.db2.gz DXYZCNDUKWJZOS-WCQYABFASA-N 2 0 284.429 0.561 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133075 330265415 /nfs/dbraw/zinc/26/54/15/330265415.db2.gz IVWKWAYAIOQFAQ-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424137133 330273946 /nfs/dbraw/zinc/27/39/46/330273946.db2.gz OLXBAGKXIMTOQP-GFCCVEGCSA-N 2 0 254.378 0.856 20 30 CCEDRP C[C@@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCC[NH2+]C1 ZINC000424161328 330306925 /nfs/dbraw/zinc/30/69/25/330306925.db2.gz YAMBXLDLOGMZKX-WCQYABFASA-N 2 0 252.362 0.513 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000107888924 330351574 /nfs/dbraw/zinc/35/15/74/330351574.db2.gz GZZRIDLCOPRUEB-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000430710320 330571124 /nfs/dbraw/zinc/57/11/24/330571124.db2.gz AFLPYLNECAKJJF-UHFFFAOYSA-N 2 0 281.400 0.522 20 30 CCEDRP C#CCNC(=O)CC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000491123133 332153257 /nfs/dbraw/zinc/15/32/57/332153257.db2.gz ZRCQANBODCGEOH-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000491405547 332205888 /nfs/dbraw/zinc/20/58/88/332205888.db2.gz JKHVLIZYMCYCIR-UHFFFAOYSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CCNC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000491617004 332243798 /nfs/dbraw/zinc/24/37/98/332243798.db2.gz AMYXOXGPDJEOSY-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000491632780 332254799 /nfs/dbraw/zinc/25/47/99/332254799.db2.gz SRGGWIMGRJDTDG-HNNXBMFYSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000491672158 332278928 /nfs/dbraw/zinc/27/89/28/332278928.db2.gz SVRTXTDPXXFWDO-INIZCTEOSA-N 2 0 292.427 0.727 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000491733361 332314603 /nfs/dbraw/zinc/31/46/03/332314603.db2.gz NZIXAUQXBCNBMD-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000491768233 332335655 /nfs/dbraw/zinc/33/56/55/332335655.db2.gz HSHSPRYDIWOEEQ-OKILXGFUSA-N 2 0 280.416 0.676 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237486042 333379817 /nfs/dbraw/zinc/37/98/17/333379817.db2.gz RADKBQBCHDSOJJ-CQSZACIVSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714091 335164431 /nfs/dbraw/zinc/16/44/31/335164431.db2.gz FSWJMSPPCXSUEU-CQSZACIVSA-N 2 0 282.432 0.246 20 30 CCEDRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCCC#N)C[C@H](C)O1 ZINC000576980421 335272815 /nfs/dbraw/zinc/27/28/15/335272815.db2.gz PWLLGXZQUPHKRU-HZSPNIEDSA-N 2 0 269.389 0.740 20 30 CCEDRP C#CCN(C)CCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000385496350 336149054 /nfs/dbraw/zinc/14/90/54/336149054.db2.gz JIWQFCPSKLDQJG-CQSZACIVSA-N 2 0 253.390 0.252 20 30 CCEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=[NH2+])N(C)C1CC1 ZINC000305818866 649880400 /nfs/dbraw/zinc/88/04/00/649880400.db2.gz NQOBBAMWPXBHAP-CYBMUJFWSA-N 2 0 295.431 0.338 20 30 CCEDRP C[C@@H]1C[NH+]=C(NN=Cc2ccc(OCC[NH+](C)C)cc2)N1 ZINC000779800622 581206582 /nfs/dbraw/zinc/20/65/82/581206582.db2.gz ONYKDMFSNXWMFP-GFCCVEGCSA-N 2 0 289.383 0.898 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000732058264 581800045 /nfs/dbraw/zinc/80/00/45/581800045.db2.gz QVQUBFZWECIGMH-ILXRZTDVSA-N 2 0 275.396 0.827 20 30 CCEDRP C[C@@H](CO)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771557608 581808303 /nfs/dbraw/zinc/80/83/03/581808303.db2.gz GWDAKYPHBRNRIQ-ZDUSSCGKSA-N 2 0 276.384 0.743 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000743492286 581814059 /nfs/dbraw/zinc/81/40/59/581814059.db2.gz SDVDQPCJRDIFFY-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000760275687 581852963 /nfs/dbraw/zinc/85/29/63/581852963.db2.gz FLFYDKBASYGCBN-UHFFFAOYSA-N 2 0 253.390 0.742 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000895056439 613075007 /nfs/dbraw/zinc/07/50/07/613075007.db2.gz KWEFLWPVHSLULW-CQSZACIVSA-N 2 0 280.416 0.583 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000970177669 612960652 /nfs/dbraw/zinc/96/06/52/612960652.db2.gz BBYAJXWLVYSIFJ-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053594 612974762 /nfs/dbraw/zinc/97/47/62/612974762.db2.gz ATOURIISTHAVNK-OCCSQVGLSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCOCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000851728699 612982330 /nfs/dbraw/zinc/98/23/30/612982330.db2.gz RZOPNPVMRKBFRH-UHFFFAOYSA-N 2 0 266.385 0.680 20 30 CCEDRP C#CCO[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017080 612995664 /nfs/dbraw/zinc/99/56/64/612995664.db2.gz HVGRAHUFPCYRSN-RRFJBIMHSA-N 2 0 295.427 0.223 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961665856 613042760 /nfs/dbraw/zinc/04/27/60/613042760.db2.gz VIUYOPHBDLOJCS-FICVDOATSA-N 2 0 275.396 0.398 20 30 CCEDRP C#CCN(C(=O)N[C@@H]1CC[N@@H+](CC)C1)C1CC[NH+](C)CC1 ZINC000922911032 613067835 /nfs/dbraw/zinc/06/78/35/613067835.db2.gz XPNINNSJGCAOPR-CQSZACIVSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891921065 613073517 /nfs/dbraw/zinc/07/35/17/613073517.db2.gz IYNDEHLIRHUSFN-CYBMUJFWSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000820688607 613077607 /nfs/dbraw/zinc/07/76/07/613077607.db2.gz UWUNXELCGAUJLX-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971551416 613084743 /nfs/dbraw/zinc/08/47/43/613084743.db2.gz JCKQXYQDDRCWIW-CABCVRRESA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000947686329 613258093 /nfs/dbraw/zinc/25/80/93/613258093.db2.gz WVHLJTJWZKEORY-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000974603001 613281595 /nfs/dbraw/zinc/28/15/95/613281595.db2.gz AQKQRVGWONEGKC-MGPQQGTHSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961615166 613322603 /nfs/dbraw/zinc/32/26/03/613322603.db2.gz IKKGOGBUXTZLHC-WDNDVIMCSA-N 2 0 287.363 0.634 20 30 CCEDRP C=C(C)CONC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000845597118 613352581 /nfs/dbraw/zinc/35/25/81/613352581.db2.gz CKKAFAVMGUNDPN-UHFFFAOYSA-N 2 0 272.393 0.629 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000908401084 613363602 /nfs/dbraw/zinc/36/36/02/613363602.db2.gz XLRZXVOIANXLOI-UHFFFAOYSA-N 2 0 294.443 0.200 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000907587161 613363782 /nfs/dbraw/zinc/36/37/82/613363782.db2.gz GEWHKZVHSPQRKC-CQSZACIVSA-N 2 0 297.443 0.798 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000900699234 613364735 /nfs/dbraw/zinc/36/47/35/613364735.db2.gz JYKHEGSAUIIUEU-UHFFFAOYSA-N 2 0 296.459 0.638 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000900686118 613364913 /nfs/dbraw/zinc/36/49/13/613364913.db2.gz JJLKEPLHLAYWRJ-OAHLLOKOSA-N 2 0 296.459 0.637 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000900691825 613364991 /nfs/dbraw/zinc/36/49/91/613364991.db2.gz BJKLREXBDFUGLM-AWEZNQCLSA-N 2 0 296.459 0.494 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000908541695 613365292 /nfs/dbraw/zinc/36/52/92/613365292.db2.gz UXCTVBYQATUFSQ-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885883613 613366606 /nfs/dbraw/zinc/36/66/06/613366606.db2.gz XNVUTQHOAZXZCL-CQSZACIVSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000840453221 613366954 /nfs/dbraw/zinc/36/69/54/613366954.db2.gz ITGOAYIGSNRPHY-ZDUSSCGKSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000876998228 613387730 /nfs/dbraw/zinc/38/77/30/613387730.db2.gz LOGAYVZWGIOBNK-MNOVXSKESA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877272939 613389207 /nfs/dbraw/zinc/38/92/07/613389207.db2.gz LVWURACJWKZPGP-DCAQKATOSA-N 2 0 257.765 0.809 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000876998229 613389363 /nfs/dbraw/zinc/38/93/63/613389363.db2.gz LOGAYVZWGIOBNK-QWRGUYRKSA-N 2 0 259.781 0.913 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN2CCOC[C@@H]2CC)CCC[NH2+]1 ZINC000877432375 613409891 /nfs/dbraw/zinc/40/98/91/613409891.db2.gz CLXYEYLNJMKALI-HOCLYGCPSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)CCC[NH2+]1 ZINC000884364345 613422946 /nfs/dbraw/zinc/42/29/46/613422946.db2.gz QFMHPHPXPRYVCJ-MISXGVKJSA-N 2 0 251.374 0.927 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950510234 613506816 /nfs/dbraw/zinc/50/68/16/613506816.db2.gz OFMAIUSRUDOVKL-ZIAGYGMSSA-N 2 0 265.401 0.904 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969677442 613531321 /nfs/dbraw/zinc/53/13/21/613531321.db2.gz OZGWLRJFDAQPDT-CJNGLKHVSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969703263 613668986 /nfs/dbraw/zinc/66/89/86/613668986.db2.gz FWJOGHQMSKIGRG-OUCADQQQSA-N 2 0 265.401 0.949 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969382494 613669630 /nfs/dbraw/zinc/66/96/30/613669630.db2.gz SXVNETMCUDMQMT-WCQYABFASA-N 2 0 251.374 0.703 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000917137083 613675049 /nfs/dbraw/zinc/67/50/49/613675049.db2.gz KXKFRSNHXXTIHM-CYBMUJFWSA-N 2 0 266.389 0.640 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)C1=O ZINC000843355567 613776672 /nfs/dbraw/zinc/77/66/72/613776672.db2.gz VXIVFSCIHMKZRX-BPCQOVAHSA-N 2 0 251.374 0.975 20 30 CCEDRP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977588344 613808272 /nfs/dbraw/zinc/80/82/72/613808272.db2.gz NMMKBXJPHSTEAW-QWHCGFSZSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC000970224033 613864909 /nfs/dbraw/zinc/86/49/09/613864909.db2.gz JDVAQLWWXZJMQG-VXGBXAGGSA-N 2 0 262.357 0.965 20 30 CCEDRP C=CCONC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000854118700 613884136 /nfs/dbraw/zinc/88/41/36/613884136.db2.gz VJXINXSAYQYQEG-LBPRGKRZSA-N 2 0 272.393 0.675 20 30 CCEDRP CC(C)(C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[C@H]([NH3+])c1ccccc1 ZINC000841850019 614301597 /nfs/dbraw/zinc/30/15/97/614301597.db2.gz UNOHEIZOSDEPAP-BFHYXJOUSA-N 2 0 286.379 0.940 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000932178410 614341753 /nfs/dbraw/zinc/34/17/53/614341753.db2.gz LOOFAYJNSKFSKQ-CYBMUJFWSA-N 2 0 278.400 0.963 20 30 CCEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000104168057 614435863 /nfs/dbraw/zinc/43/58/63/614435863.db2.gz SSBAPJVENVKPFT-UHFFFAOYSA-N 2 0 254.378 0.365 20 30 CCEDRP CC1(C)CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000876872179 614596208 /nfs/dbraw/zinc/59/62/08/614596208.db2.gz UBNFMOWAOACRBQ-HNNXBMFYSA-N 2 0 298.390 0.955 20 30 CCEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913517509 614678274 /nfs/dbraw/zinc/67/82/74/614678274.db2.gz DLWREVVYPLRAQF-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CC[NH+](CC)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884175223 614994848 /nfs/dbraw/zinc/99/48/48/614994848.db2.gz MOYJFGUKXRMATJ-JVWICGRDSA-N 2 0 278.400 0.584 20 30 CCEDRP C[NH+](C)CCCN(CCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000900378953 615880381 /nfs/dbraw/zinc/88/03/81/615880381.db2.gz ZKKSIHRJPRIXIG-UHFFFAOYSA-N 2 0 278.400 0.776 20 30 CCEDRP CN(C)C(=[NH+]CCCC[NH+]1CCC(C(N)=O)CC1)N(C)C ZINC000848990029 615945084 /nfs/dbraw/zinc/94/50/84/615945084.db2.gz SVRQXUDDWYESRI-UHFFFAOYSA-N 2 0 297.447 0.443 20 30 CCEDRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194312 615957147 /nfs/dbraw/zinc/95/71/47/615957147.db2.gz DJRKCFFXJCUTTR-QWRGUYRKSA-N 2 0 278.381 0.651 20 30 CCEDRP CN(CC(C)(C)C[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000852798445 616051003 /nfs/dbraw/zinc/05/10/03/616051003.db2.gz KHBPDBRVMMRCAB-UHFFFAOYSA-N 2 0 251.374 0.433 20 30 CCEDRP C[NH2+]CCCN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876921948 616942274 /nfs/dbraw/zinc/94/22/74/616942274.db2.gz NLRFEGRBCXQJDQ-OAHLLOKOSA-N 2 0 286.379 0.813 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026044024 625324643 /nfs/dbraw/zinc/32/46/43/625324643.db2.gz JWJDCFKSUUINPA-POQQGIQPSA-N 2 0 263.385 0.417 20 30 CCEDRP N#CCN1CCC([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000925608568 625444573 /nfs/dbraw/zinc/44/45/73/625444573.db2.gz FMEGKNUKWJDDCM-XSXPHNMFSA-N 2 0 260.385 0.560 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001022596138 622564415 /nfs/dbraw/zinc/56/44/15/622564415.db2.gz HLNVXQZWLSZRCQ-XDQVBPFNSA-N 2 0 263.385 0.587 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001022718884 622696620 /nfs/dbraw/zinc/69/66/20/622696620.db2.gz GAIAJCWICXAIQP-RVMXOQNASA-N 2 0 251.374 0.607 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001019823196 623916964 /nfs/dbraw/zinc/91/69/64/623916964.db2.gz BPAKKWDRTUGMDL-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001020508016 624499316 /nfs/dbraw/zinc/49/93/16/624499316.db2.gz HLNVXQZWLSZRCQ-XUXIUFHCSA-N 2 0 263.385 0.587 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001021094094 624658066 /nfs/dbraw/zinc/65/80/66/624658066.db2.gz LFICWKXVMRFFEH-MGPQQGTHSA-N 2 0 263.385 0.731 20 30 CCEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCCO1 ZINC000261874132 631665243 /nfs/dbraw/zinc/66/52/43/631665243.db2.gz PNTPMVMUEBDPGJ-AAEUAGOBSA-N 2 0 266.389 0.554 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303978930 631842959 /nfs/dbraw/zinc/84/29/59/631842959.db2.gz MQBFEGFYPKOHAH-GFCCVEGCSA-N 2 0 255.410 0.279 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCOC ZINC000303982770 632502849 /nfs/dbraw/zinc/50/28/49/632502849.db2.gz QPMLJTQAANOIGA-LBPRGKRZSA-N 2 0 254.378 0.578 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000987359537 632861423 /nfs/dbraw/zinc/86/14/23/632861423.db2.gz PQKRCLAJWMOCJK-STQMWFEESA-N 2 0 261.369 0.294 20 30 CCEDRP C=CCNC(NCC1([NH+]2CCCC2)CCOCC1)=[NH+]C ZINC000081771601 638735532 /nfs/dbraw/zinc/73/55/32/638735532.db2.gz PGBKOKWRUPQJCI-UHFFFAOYSA-N 2 0 280.416 0.982 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002118813 639369962 /nfs/dbraw/zinc/36/99/62/639369962.db2.gz VAZPWJFRNPAAHL-AWEZNQCLSA-N 2 0 263.385 0.400 20 30 CCEDRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1C[NH3+] ZINC000923412402 640127691 /nfs/dbraw/zinc/12/76/91/640127691.db2.gz VSZBSWYLJMTBEF-BPLDGKMQSA-N 2 0 289.379 0.825 20 30 CCEDRP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334182 650556556 /nfs/dbraw/zinc/55/65/56/650556556.db2.gz GYWDFQXIRFLVFL-WJEHIRDRSA-N 2 0 291.395 0.226 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003615 650673253 /nfs/dbraw/zinc/67/32/53/650673253.db2.gz LROWZVZSNWNWEF-CYBMUJFWSA-N 2 0 261.369 0.296 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253048 650705974 /nfs/dbraw/zinc/70/59/74/650705974.db2.gz XBCLPMQIYQOAFJ-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000841849825 642843749 /nfs/dbraw/zinc/84/37/49/642843749.db2.gz LXNNTKYZHSWSHH-JLLWLGSASA-N 2 0 278.743 0.568 20 30 CCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194197 643177895 /nfs/dbraw/zinc/17/78/95/643177895.db2.gz BEUHNAUCRYXFRU-WRWGMCAJSA-N 2 0 250.346 0.087 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000852828421 644014226 /nfs/dbraw/zinc/01/42/26/644014226.db2.gz XRDJTTDKUZUMJB-NXEZZACHSA-N 2 0 276.365 0.235 20 30 CCEDRP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+](C)C1CC1 ZINC000852864706 644030891 /nfs/dbraw/zinc/03/08/91/644030891.db2.gz FJLFGRHWCGIPLF-LBPRGKRZSA-N 2 0 263.385 0.588 20 30 CCEDRP [NH3+]CC[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852879583 644039766 /nfs/dbraw/zinc/03/97/66/644039766.db2.gz XQJXZBCMWJPVKC-AWEZNQCLSA-N 2 0 263.385 0.577 20 30 CCEDRP CC(C)[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[NH2+]1 ZINC000852879463 644039844 /nfs/dbraw/zinc/03/98/44/644039844.db2.gz UOBXIAQLMZHHLM-CQSZACIVSA-N 2 0 263.385 0.446 20 30 CCEDRP C[C@H]1CC2(CN1C(=O)C#CC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000852892283 644045668 /nfs/dbraw/zinc/04/56/68/644045668.db2.gz CUNMYQBGAVROON-AWEZNQCLSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000852894705 644047742 /nfs/dbraw/zinc/04/77/42/644047742.db2.gz YANMDWKANIMWJZ-AWEZNQCLSA-N 2 0 275.396 0.780 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001018938161 650922750 /nfs/dbraw/zinc/92/27/50/650922750.db2.gz BVIQVQJHGDGJKN-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001019469559 650975575 /nfs/dbraw/zinc/97/55/75/650975575.db2.gz BBYAJXWLVYSIFJ-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001019780163 651004243 /nfs/dbraw/zinc/00/42/43/651004243.db2.gz MGXGTDOOTLNDGJ-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C[C@H](CC[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876795420 646665901 /nfs/dbraw/zinc/66/59/01/646665901.db2.gz FUNSJMVJDJUMOF-QMTHXVAHSA-N 2 0 272.352 0.599 20 30 CCEDRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876857284 646683189 /nfs/dbraw/zinc/68/31/89/646683189.db2.gz AGXBDEROCCMWEZ-IAQYHMDHSA-N 2 0 286.379 0.989 20 30 CCEDRP C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H]1C[NH3+] ZINC000884341152 647714706 /nfs/dbraw/zinc/71/47/06/647714706.db2.gz TUIORLCJIXYAKN-BCWAKEQVSA-N 2 0 290.411 0.569 20 30 CCEDRP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931430644 648988126 /nfs/dbraw/zinc/98/81/26/648988126.db2.gz DKDJOTYDBARYCV-HZSPNIEDSA-N 2 0 278.400 0.630 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303990939 649827832 /nfs/dbraw/zinc/82/78/32/649827832.db2.gz ZCCKBDAYPOQZLJ-LLVKDONJSA-N 2 0 256.394 0.800 20 30 CCEDRP COCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303265993 649813547 /nfs/dbraw/zinc/81/35/47/649813547.db2.gz VLPQZEAGCJIELK-LBPRGKRZSA-N 2 0 256.394 0.659 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000303866597 649826022 /nfs/dbraw/zinc/82/60/22/649826022.db2.gz CNNNXUGCUFWJTE-AWEZNQCLSA-N 2 0 283.464 0.964 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)COC)C1 ZINC000303883943 649826334 /nfs/dbraw/zinc/82/63/34/649826334.db2.gz MMDUQZIIJSBYTA-VXGBXAGGSA-N 2 0 256.394 0.658 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc[nH]n1 ZINC000303905790 649826950 /nfs/dbraw/zinc/82/69/50/649826950.db2.gz ZNVYEZDUDCVPCD-LLVKDONJSA-N 2 0 250.350 0.298 20 30 CCEDRP CC(C)CNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303986960 649828067 /nfs/dbraw/zinc/82/80/67/649828067.db2.gz VAIKTPIZCXQFCD-LBPRGKRZSA-N 2 0 255.410 0.183 20 30 CCEDRP COCCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000304022383 649828851 /nfs/dbraw/zinc/82/88/51/649828851.db2.gz YMOCFUQKGXWEGE-UHFFFAOYSA-N 2 0 284.404 0.182 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304729121 649837759 /nfs/dbraw/zinc/83/77/59/649837759.db2.gz QOKODBCYUGFOID-GFCCVEGCSA-N 2 0 269.437 0.715 20 30 CCEDRP CC[NH+]1CCC(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000304760154 649838792 /nfs/dbraw/zinc/83/87/92/649838792.db2.gz SAKXKTNHORPTKD-UHFFFAOYSA-N 2 0 268.405 0.755 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266412228 790656543 /nfs/dbraw/zinc/65/65/43/790656543.db2.gz OUTJKQYOBSDGFG-CQSZACIVSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236244 790728999 /nfs/dbraw/zinc/72/89/99/790728999.db2.gz INCZRVFQZLWXIF-ZIAGYGMSSA-N 2 0 277.412 0.693 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236241 790729925 /nfs/dbraw/zinc/72/99/25/790729925.db2.gz INCZRVFQZLWXIF-KBPBESRZSA-N 2 0 277.412 0.693 20 30 CCEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266632956 791059931 /nfs/dbraw/zinc/05/99/31/791059931.db2.gz XMPMOUCZDOPKHD-KKUMJFAQSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266879424 791318318 /nfs/dbraw/zinc/31/83/18/791318318.db2.gz WGLSFCOJOGSZHB-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277863720 806267927 /nfs/dbraw/zinc/26/79/27/806267927.db2.gz RDSWHIIPMJHIRQ-CHWSQXEVSA-N 2 0 253.390 0.786 20 30 CCEDRP C=CCN1CC[C@]2(CCCN(C[C@H](C)[NH3+])C2)C1=O ZINC001235494999 806434518 /nfs/dbraw/zinc/43/45/18/806434518.db2.gz VCWNYFZGZOWDSU-JSGCOSHPSA-N 2 0 251.374 0.834 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001278088198 806655176 /nfs/dbraw/zinc/65/51/76/806655176.db2.gz QMPRTPGRWKATAY-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161207636 799889077 /nfs/dbraw/zinc/88/90/77/799889077.db2.gz BEJVHECOEWRLSY-HNNXBMFYSA-N 2 0 263.385 0.575 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cnc2C)C1 ZINC001150663587 800356381 /nfs/dbraw/zinc/35/63/81/800356381.db2.gz MOBOTAYIHXVZPA-ZDUSSCGKSA-N 2 0 292.383 0.654 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159808 800405161 /nfs/dbraw/zinc/40/51/61/800405161.db2.gz UGMXZGMDYNGZTK-ZDUSSCGKSA-N 2 0 269.389 0.237 20 30 CCEDRP C#CC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151355041 800418269 /nfs/dbraw/zinc/41/82/69/800418269.db2.gz XMPQXTOKWRMHBM-UHFFFAOYSA-N 2 0 251.374 0.592 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151814205 800461228 /nfs/dbraw/zinc/46/12/28/800461228.db2.gz FRFRZHMAWGZUQS-AWEZNQCLSA-N 2 0 281.400 0.379 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145353 800495577 /nfs/dbraw/zinc/49/55/77/800495577.db2.gz BBPKECXZHASEQE-BETUJISGSA-N 2 0 251.374 0.588 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152149191 800495638 /nfs/dbraw/zinc/49/56/38/800495638.db2.gz WFGMMITYPVKANF-KBPBESRZSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824670 800673074 /nfs/dbraw/zinc/67/30/74/800673074.db2.gz VVXGJEGKSRTHBA-OCCSQVGLSA-N 2 0 265.401 0.786 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156928034 801264962 /nfs/dbraw/zinc/26/49/62/801264962.db2.gz TYQBAJIDLVUJTM-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109251 801303317 /nfs/dbraw/zinc/30/33/17/801303317.db2.gz KOPNBHXJWJRNCD-CYBMUJFWSA-N 2 0 253.390 0.786 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196023 801587609 /nfs/dbraw/zinc/58/76/09/801587609.db2.gz HYTUQENDXILGFH-OAHLLOKOSA-N 2 0 295.427 0.627 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196325 801587770 /nfs/dbraw/zinc/58/77/70/801587770.db2.gz LGZDESBSHLFMLO-ZDUSSCGKSA-N 2 0 251.374 0.610 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001159335181 801794420 /nfs/dbraw/zinc/79/44/20/801794420.db2.gz UORDUBSGLFSDSV-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003557 801897261 /nfs/dbraw/zinc/89/72/61/801897261.db2.gz UZMZHPBXARUKKH-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161874995 802237524 /nfs/dbraw/zinc/23/75/24/802237524.db2.gz QJCZJFYJCLKAAX-UHFFFAOYSA-N 2 0 275.396 0.854 20 30 CCEDRP Cc1nc(C#N)cnc1NCCC[NH2+]CCCC[NH3+] ZINC001162292770 802302113 /nfs/dbraw/zinc/30/21/13/802302113.db2.gz PTCBNYGCPCDDQM-UHFFFAOYSA-N 2 0 262.361 0.787 20 30 CCEDRP C[NH2+]C1CN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001163702678 802596483 /nfs/dbraw/zinc/59/64/83/802596483.db2.gz NCYZZHAZAWBDIJ-UHFFFAOYSA-N 2 0 257.341 0.397 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677868 802937372 /nfs/dbraw/zinc/93/73/72/802937372.db2.gz OXNNCUDPARQTMS-CQSZACIVSA-N 2 0 281.400 0.074 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166690415 802938402 /nfs/dbraw/zinc/93/84/02/802938402.db2.gz ABSSRTMERNRSKF-OLZOCXBDSA-N 2 0 251.374 0.303 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204793636 803100945 /nfs/dbraw/zinc/10/09/45/803100945.db2.gz KNAPCDVERCHPMQ-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP Cn1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1C#N ZINC001205219502 803126244 /nfs/dbraw/zinc/12/62/44/803126244.db2.gz FJGPRAVNMKHPBB-CQSZACIVSA-N 2 0 262.357 0.572 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cn1 ZINC001205229808 803128242 /nfs/dbraw/zinc/12/82/42/803128242.db2.gz PJPJCPLPALSUGA-CQSZACIVSA-N 2 0 260.341 0.629 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207563428 803420256 /nfs/dbraw/zinc/42/02/56/803420256.db2.gz URWIDQMIYXBWAH-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425626 803513333 /nfs/dbraw/zinc/51/33/33/803513333.db2.gz QHZLFECHOCJTFP-CHWSQXEVSA-N 2 0 263.385 0.398 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323113 803594570 /nfs/dbraw/zinc/59/45/70/803594570.db2.gz FLLUIUSDCOWZAN-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577428 814950396 /nfs/dbraw/zinc/95/03/96/814950396.db2.gz UEHLAAWYJMCFNR-TUVASFSCSA-N 2 0 277.412 0.929 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211090210 803666792 /nfs/dbraw/zinc/66/67/92/803666792.db2.gz ICDHAMMIQRSMEQ-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1onc(C)c1C#N ZINC001218502408 803970229 /nfs/dbraw/zinc/97/02/29/803970229.db2.gz DHHBZEJXTMTTBE-JTQLQIEISA-N 2 0 265.317 0.510 20 30 CCEDRP COC(=O)c1scc(C#N)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218604723 804032289 /nfs/dbraw/zinc/03/22/89/804032289.db2.gz GPDHJSNMSKAVBA-QMMMGPOBSA-N 2 0 296.352 0.411 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218624824 804041493 /nfs/dbraw/zinc/04/14/93/804041493.db2.gz OXXYAUMDIHYLAU-MRVPVSSYSA-N 2 0 262.338 0.367 20 30 CCEDRP N#Cc1cccc2[nH]nc(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)c21 ZINC001218656966 804067438 /nfs/dbraw/zinc/06/74/38/804067438.db2.gz VCSZGPQZLLUVGM-ZDUSSCGKSA-N 2 0 298.350 0.700 20 30 CCEDRP C=C(C)CN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219054965 804188271 /nfs/dbraw/zinc/18/82/71/804188271.db2.gz PWYOGEFNJOAUNQ-LSDHHAIUSA-N 2 0 295.427 0.814 20 30 CCEDRP N#Cc1ccc(F)c(F)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001219314473 804267676 /nfs/dbraw/zinc/26/76/76/804267676.db2.gz JTXPYWFMSMKQFN-SECBINFHSA-N 2 0 268.267 0.841 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219655930 804394615 /nfs/dbraw/zinc/39/46/15/804394615.db2.gz BFKRJHSXNQXGRV-TUVASFSCSA-N 2 0 295.427 0.454 20 30 CCEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220124535 804505901 /nfs/dbraw/zinc/50/59/01/804505901.db2.gz BLQMRAYPUWSXKI-ZDUSSCGKSA-N 2 0 299.415 0.718 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220232118 804545171 /nfs/dbraw/zinc/54/51/71/804545171.db2.gz FAUYXEXSCFTOKP-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220289892 804563200 /nfs/dbraw/zinc/56/32/00/804563200.db2.gz GMQPOUQYIVLCCV-HZSPNIEDSA-N 2 0 283.416 0.310 20 30 CCEDRP CC(C)C[C@@H](C#N)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220702917 804652366 /nfs/dbraw/zinc/65/23/66/804652366.db2.gz ZRXKJAKGPCZPSS-UWVGGRQHSA-N 2 0 258.391 0.060 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220868317 804684174 /nfs/dbraw/zinc/68/41/74/804684174.db2.gz GEVNLHQPXGHBPR-AVGNSLFASA-N 2 0 269.364 0.843 20 30 CCEDRP CC(C)C[C@](C)(C#N)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221291938 804766936 /nfs/dbraw/zinc/76/69/36/804766936.db2.gz AJYHBWNVTCVBOQ-UKRRQHHQSA-N 2 0 295.431 0.181 20 30 CCEDRP C#CC[C@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CCC[NH2+]1 ZINC001221408026 804807292 /nfs/dbraw/zinc/80/72/92/804807292.db2.gz GCIVVSDHCZCXKV-GOEBONIOSA-N 2 0 275.396 0.636 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1 ZINC001221411841 804811977 /nfs/dbraw/zinc/81/19/77/804811977.db2.gz YANIZVZWNCUEDR-HIFRSBDPSA-N 2 0 263.385 0.799 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788611 804844603 /nfs/dbraw/zinc/84/46/03/804844603.db2.gz YJLAAQKLNFUUQG-CHWSQXEVSA-N 2 0 251.374 0.657 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C1 ZINC001278415868 807097347 /nfs/dbraw/zinc/09/73/47/807097347.db2.gz JVZJETNGGPNMSQ-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246021640 807120985 /nfs/dbraw/zinc/12/09/85/807120985.db2.gz LCAYFVNSDDFGQY-MGPQQGTHSA-N 2 0 256.390 0.857 20 30 CCEDRP N#C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246152477 807168627 /nfs/dbraw/zinc/16/86/27/807168627.db2.gz ZARDGHYBGCWIAF-MCIONIFRSA-N 2 0 277.416 0.094 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCCC[NH2+]C1 ZINC001246311117 807218577 /nfs/dbraw/zinc/21/85/77/807218577.db2.gz KDHGPQCJMHVPPY-KGLIPLIRSA-N 2 0 283.416 0.945 20 30 CCEDRP C=CCN1CCC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246363020 807235435 /nfs/dbraw/zinc/23/54/35/807235435.db2.gz NXVFAWNHCLKHQM-KBPBESRZSA-N 2 0 264.417 0.320 20 30 CCEDRP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001278528700 807565886 /nfs/dbraw/zinc/56/58/86/807565886.db2.gz IDUJCIVWOFJYAL-UKRRQHHQSA-N 2 0 263.385 0.542 20 30 CCEDRP CN(CC[NH+]1CCCCC1)C(=O)NCC#CC[NH+](C)C ZINC001251708669 807697054 /nfs/dbraw/zinc/69/70/54/807697054.db2.gz WJWPCOBMJONNAJ-UHFFFAOYSA-N 2 0 280.416 0.679 20 30 CCEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038117672 815154463 /nfs/dbraw/zinc/15/44/63/815154463.db2.gz PPSSPRGIPHNFQP-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001252488435 807890486 /nfs/dbraw/zinc/89/04/86/807890486.db2.gz MZRBUQAAEZFHFD-OAHLLOKOSA-N 2 0 285.432 0.166 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001252494994 807893902 /nfs/dbraw/zinc/89/39/02/807893902.db2.gz JAACXPJOVRYRMY-BZUAXINKSA-N 2 0 298.427 0.783 20 30 CCEDRP C=C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001253610685 808097240 /nfs/dbraw/zinc/09/72/40/808097240.db2.gz VWCNTPAKLMBYKQ-AVGNSLFASA-N 2 0 269.389 0.112 20 30 CCEDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667546 808271017 /nfs/dbraw/zinc/27/10/17/808271017.db2.gz BKWITBUKZXMHCQ-UONOGXRCSA-N 2 0 250.390 0.858 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001261552596 809018237 /nfs/dbraw/zinc/01/82/37/809018237.db2.gz WNAQWHYOUHUTCQ-AVGNSLFASA-N 2 0 266.389 0.983 20 30 CCEDRP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263879125 809596585 /nfs/dbraw/zinc/59/65/85/809596585.db2.gz NJRXRNBFGAKOCC-MGPQQGTHSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001263879196 809596795 /nfs/dbraw/zinc/59/67/95/809596795.db2.gz QFOAJAUMRGLDJM-KKUMJFAQSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265590986 809810599 /nfs/dbraw/zinc/81/05/99/809810599.db2.gz LZACNOWZSUMXKH-LSDHHAIUSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001268426259 812561236 /nfs/dbraw/zinc/56/12/36/812561236.db2.gz MAXVYTWRGRTRFM-HNNXBMFYSA-N 2 0 289.423 0.839 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268537997 812780561 /nfs/dbraw/zinc/78/05/61/812780561.db2.gz DQCNDQBTKVWZBG-FOSCPCJNSA-N 2 0 275.396 0.614 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC=C ZINC001268798934 813092943 /nfs/dbraw/zinc/09/29/43/813092943.db2.gz QKGLFMWHDNDEDR-AWEZNQCLSA-N 2 0 263.385 0.708 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269138180 813235708 /nfs/dbraw/zinc/23/57/08/813235708.db2.gz AKJWGYPZHLYGQV-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001269511419 813397536 /nfs/dbraw/zinc/39/75/36/813397536.db2.gz YAUXZXMABKAAOI-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCCN1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001270658818 813877658 /nfs/dbraw/zinc/87/76/58/813877658.db2.gz SDVZHKDKUOIUHV-HNNXBMFYSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010626 814311147 /nfs/dbraw/zinc/31/11/47/814311147.db2.gz CKEQMJUHVXAWFF-QLFBSQMISA-N 2 0 277.412 0.740 20 30 CCEDRP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271185132 814328220 /nfs/dbraw/zinc/32/82/20/814328220.db2.gz SVWGNPZEIGQPAE-ZBFHGGJFSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001271987156 814664393 /nfs/dbraw/zinc/66/43/93/814664393.db2.gz DPKAMWSPABMUAL-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001272553755 816576542 /nfs/dbraw/zinc/57/65/42/816576542.db2.gz ATFCVWICGOZECB-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719004 816634774 /nfs/dbraw/zinc/63/47/74/816634774.db2.gz KQTCCIONJHXAQU-ZNMIVQPWSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001106255458 816690955 /nfs/dbraw/zinc/69/09/55/816690955.db2.gz SARSUFQNHORKHS-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882053 816973801 /nfs/dbraw/zinc/97/38/01/816973801.db2.gz OUKLABKYGAJFEO-ZIAGYGMSSA-N 2 0 275.396 0.400 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCOC)C2)CC1 ZINC001032207652 817703616 /nfs/dbraw/zinc/70/36/16/817703616.db2.gz WUTRHCXLRNOGIK-UHFFFAOYSA-N 2 0 293.411 0.026 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052252456 818177608 /nfs/dbraw/zinc/17/76/08/818177608.db2.gz UDIHRCDYVXRHDU-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032945629 818381557 /nfs/dbraw/zinc/38/15/57/818381557.db2.gz PVSFUHAOQGKXOC-STQMWFEESA-N 2 0 251.374 0.799 20 30 CCEDRP C#CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019053 818434104 /nfs/dbraw/zinc/43/41/04/818434104.db2.gz RMWSBPLJSWDLMT-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033396133 818752230 /nfs/dbraw/zinc/75/22/30/818752230.db2.gz MMSNUSOHLHRLLV-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033660594 818881973 /nfs/dbraw/zinc/88/19/73/818881973.db2.gz IVHARCJWWDSDTA-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033786852 818936719 /nfs/dbraw/zinc/93/67/19/818936719.db2.gz ACESVRWGDYFMKT-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001036054786 819678919 /nfs/dbraw/zinc/67/89/19/819678919.db2.gz MNARIZMINJCUGV-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079730556 820460161 /nfs/dbraw/zinc/46/01/61/820460161.db2.gz BPRZJBIUOCVTSJ-LXTVHRRPSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080782776 820631071 /nfs/dbraw/zinc/63/10/71/820631071.db2.gz AMUYQDYKROYBSK-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001273203908 820838631 /nfs/dbraw/zinc/83/86/31/820838631.db2.gz JAUCUFAOSQVONQ-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001082559172 820999197 /nfs/dbraw/zinc/99/91/97/820999197.db2.gz WCAZVFDGLSRURV-BNOWGMLFSA-N 2 0 263.385 0.396 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001273261993 821488517 /nfs/dbraw/zinc/48/85/17/821488517.db2.gz ZYLOTJAFUCGGPA-GJZGRUSLSA-N 2 0 293.411 0.331 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100042069 822148190 /nfs/dbraw/zinc/14/81/90/822148190.db2.gz SPPNBSBIGHIOLZ-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086402313 822238573 /nfs/dbraw/zinc/23/85/73/822238573.db2.gz PMYIJTILSVUAFJ-IHRRRGAJSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001086477988 822274264 /nfs/dbraw/zinc/27/42/64/822274264.db2.gz FFYOHCQBFZJLSL-SYQHCUMBSA-N 2 0 265.401 0.855 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526798 837520134 /nfs/dbraw/zinc/52/01/34/837520134.db2.gz SVIPZUBCBOPWPG-UHFFFAOYSA-N 2 0 259.781 0.929 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842358 837566705 /nfs/dbraw/zinc/56/67/05/837566705.db2.gz WXQNATLKTNIOAM-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169134837 836148239 /nfs/dbraw/zinc/14/82/39/836148239.db2.gz QTXZNLCUYKIFDC-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756586 836522230 /nfs/dbraw/zinc/52/22/30/836522230.db2.gz OEAKIKOGMJYMRG-IHRRRGAJSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[C@]1(C(=O)N2CCC[C@](F)(C[NH3+])CC2)CCC[NH2+]1 ZINC001157744519 837376942 /nfs/dbraw/zinc/37/69/42/837376942.db2.gz JTMJBPJMYVECDO-HUUCEWRRSA-N 2 0 281.375 0.811 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521891 838121229 /nfs/dbraw/zinc/12/12/29/838121229.db2.gz KVDMWFZQTRGBPA-JVWICGRDSA-N 2 0 279.384 0.132 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521998 838121535 /nfs/dbraw/zinc/12/15/35/838121535.db2.gz OVTDEFFJGLNGBZ-NPCAHTBFSA-N 2 0 293.411 0.522 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133862725 838753378 /nfs/dbraw/zinc/75/33/78/838753378.db2.gz FRVHYEQVBZUOHV-CHWSQXEVSA-N 2 0 269.389 0.093 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229732 844365930 /nfs/dbraw/zinc/36/59/30/844365930.db2.gz GKOUCHZVOWGUKB-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1C#N ZINC001170779104 839108748 /nfs/dbraw/zinc/10/87/48/839108748.db2.gz BUITUESUMNBQOF-KFVVJHEBSA-N 2 0 287.367 0.772 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372208 839229951 /nfs/dbraw/zinc/22/99/51/839229951.db2.gz OQBPQDKSXNJCHQ-QWHCGFSZSA-N 2 0 253.390 0.834 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373737 839231281 /nfs/dbraw/zinc/23/12/81/839231281.db2.gz YIFYEBVCKJWKFT-ZIAGYGMSSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938509 839474461 /nfs/dbraw/zinc/47/44/61/839474461.db2.gz KMQFUBUXVQPUPK-ZIAGYGMSSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001185789497 844459148 /nfs/dbraw/zinc/45/91/48/844459148.db2.gz VCJFLRHFYODTPQ-LSDHHAIUSA-N 2 0 288.395 0.981 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1C ZINC001185789494 844459476 /nfs/dbraw/zinc/45/94/76/844459476.db2.gz VCJFLRHFYODTPQ-GJZGRUSLSA-N 2 0 288.395 0.981 20 30 CCEDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171184640 840052794 /nfs/dbraw/zinc/05/27/94/840052794.db2.gz NRMOTJUWNHDVEF-SMDDNHRTSA-N 2 0 275.352 0.827 20 30 CCEDRP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171184636 840052993 /nfs/dbraw/zinc/05/29/93/840052993.db2.gz NRMOTJUWNHDVEF-FZMZJTMJSA-N 2 0 275.352 0.827 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001144739839 840129734 /nfs/dbraw/zinc/12/97/34/840129734.db2.gz YUXYTCPRHNLDGF-UHFFFAOYSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001091212903 840134389 /nfs/dbraw/zinc/13/43/89/840134389.db2.gz FATSSSDCSYVZEB-UHFFFAOYSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC001146572317 840325360 /nfs/dbraw/zinc/32/53/60/840325360.db2.gz VVKIOPITVLVMCH-LSDHHAIUSA-N 2 0 289.423 0.838 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147823216 840691755 /nfs/dbraw/zinc/69/17/55/840691755.db2.gz CADBFNAFCJZCKP-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147834964 840695378 /nfs/dbraw/zinc/69/53/78/840695378.db2.gz PCJOTFCCVCKVPV-ZIAGYGMSSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893544 840705901 /nfs/dbraw/zinc/70/59/01/840705901.db2.gz RGGRYKKYZVJJBL-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359799 840793060 /nfs/dbraw/zinc/79/30/60/840793060.db2.gz FAJCQTIRRODQMT-UHFFFAOYSA-N 2 0 269.389 0.074 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148635300 840872456 /nfs/dbraw/zinc/87/24/56/840872456.db2.gz DYIHTKOOBSXTMM-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186833853 844601977 /nfs/dbraw/zinc/60/19/77/844601977.db2.gz JRDRFZWADYNPAM-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931619 841086967 /nfs/dbraw/zinc/08/69/67/841086967.db2.gz RHQXWOYQQRSGMC-UKRRQHHQSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](C)OC)CC1 ZINC001176925947 842453150 /nfs/dbraw/zinc/45/31/50/842453150.db2.gz DUBGSYAIPQGUKC-CQSZACIVSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986740 842478216 /nfs/dbraw/zinc/47/82/16/842478216.db2.gz UYEHWLLIYIKIQX-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178715784 842910535 /nfs/dbraw/zinc/91/05/35/842910535.db2.gz HZAVMTVUXSPSQL-BPUTZDHNSA-N 2 0 289.423 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850679 844781918 /nfs/dbraw/zinc/78/19/18/844781918.db2.gz GHGBBERVTHUEDS-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126783 845673038 /nfs/dbraw/zinc/67/30/38/845673038.db2.gz VADPWBIUFHYJNH-NHAGDIPZSA-N 2 0 281.400 0.187 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001191996755 845764327 /nfs/dbraw/zinc/76/43/27/845764327.db2.gz DEMRHQRWUGGSRT-ZDUSSCGKSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192355216 845826798 /nfs/dbraw/zinc/82/67/98/845826798.db2.gz PROZHWRHPKEXRW-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193102010 845976438 /nfs/dbraw/zinc/97/64/38/845976438.db2.gz BFKRJHSXNQXGRV-KBUPBQIOSA-N 2 0 295.427 0.454 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194037670 846200542 /nfs/dbraw/zinc/20/05/42/846200542.db2.gz IAYFFLWBMMDKKJ-HNNXBMFYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980819 846656752 /nfs/dbraw/zinc/65/67/52/846656752.db2.gz GMQPOUQYIVLCCV-MGPQQGTHSA-N 2 0 283.416 0.310 20 30 CCEDRP C=CCOCC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049422 846833134 /nfs/dbraw/zinc/83/31/34/846833134.db2.gz PHGGUBDQSSULLX-UHFFFAOYSA-N 2 0 283.416 0.675 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335431 847770650 /nfs/dbraw/zinc/77/06/50/847770650.db2.gz OLUHOOBXHTXVBU-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504171 848001949 /nfs/dbraw/zinc/00/19/49/848001949.db2.gz RAQYWLGSULBSFM-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114401641 848034786 /nfs/dbraw/zinc/03/47/86/848034786.db2.gz VSSKXJPMLDFBEY-ITGUQSILSA-N 2 0 263.385 0.703 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114408778 848050649 /nfs/dbraw/zinc/05/06/49/848050649.db2.gz AIUQHFQIZPBFSH-YJNKXOJESA-N 2 0 277.412 0.949 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114426476 848056399 /nfs/dbraw/zinc/05/63/99/848056399.db2.gz NHTCXOCCZDBXOB-TTZDDIAXSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCF)CC1 ZINC001275038184 848618180 /nfs/dbraw/zinc/61/81/80/848618180.db2.gz IBIXFYQUCLYRBC-CYBMUJFWSA-N 2 0 283.391 0.786 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275099233 848637660 /nfs/dbraw/zinc/63/76/60/848637660.db2.gz SJOFECCKBNXOBF-WDEREUQCSA-N 2 0 259.781 0.927 20 30 CCEDRP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001275144019 848650664 /nfs/dbraw/zinc/65/06/64/848650664.db2.gz SXJUGYZZRLWYHK-HNNXBMFYSA-N 2 0 295.427 0.511 20 30 CCEDRP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276003804 848887978 /nfs/dbraw/zinc/88/79/78/848887978.db2.gz UGGVYFAPHRTOFP-LSDHHAIUSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114846189 849428841 /nfs/dbraw/zinc/42/88/41/849428841.db2.gz HSLKPJBGIYWMAX-QNWHQSFQSA-N 2 0 251.374 0.559 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@H]21 ZINC001042173122 850586613 /nfs/dbraw/zinc/58/66/13/850586613.db2.gz LVURTAMNOWHJMJ-HUUCEWRRSA-N 2 0 286.379 0.829 20 30 CCEDRP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323047 851466584 /nfs/dbraw/zinc/46/65/84/851466584.db2.gz FLVGWYASSCBBER-HOCLYGCPSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323045 851466793 /nfs/dbraw/zinc/46/67/93/851466793.db2.gz FLVGWYASSCBBER-GDBMZVCRSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)CCc3ncc[nH]3)C[C@H]2C1 ZINC001048791910 852062031 /nfs/dbraw/zinc/06/20/31/852062031.db2.gz BBWXGWAUQVRJKI-BETUJISGSA-N 2 0 274.368 0.919 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058297 852150153 /nfs/dbraw/zinc/15/01/53/852150153.db2.gz WOWDWXABNGQAAD-SOUVJXGZSA-N 2 0 275.396 0.494 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058488 852151105 /nfs/dbraw/zinc/15/11/05/852151105.db2.gz DXVCQTQQFACKQZ-KFWWJZLASA-N 2 0 277.412 0.904 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072981278 854507667 /nfs/dbraw/zinc/50/76/67/854507667.db2.gz CGVMIMMKSWNOEU-GJZGRUSLSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879709 855016103 /nfs/dbraw/zinc/01/61/03/855016103.db2.gz OMHAGOREVPYIFK-KGLIPLIRSA-N 2 0 281.400 0.208 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898992 855023386 /nfs/dbraw/zinc/02/33/86/855023386.db2.gz LCWSDQNPYDCMDP-ZIAGYGMSSA-N 2 0 295.427 0.291 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099898991 855024157 /nfs/dbraw/zinc/02/41/57/855024157.db2.gz LCWSDQNPYDCMDP-UONOGXRCSA-N 2 0 295.427 0.291 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971570 855055581 /nfs/dbraw/zinc/05/55/81/855055581.db2.gz JWQONOCUDBQXBD-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971478 855056265 /nfs/dbraw/zinc/05/62/65/855056265.db2.gz IRPHSRDUVHNLSA-STQMWFEESA-N 2 0 281.400 0.066 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100065214 855090629 /nfs/dbraw/zinc/09/06/29/855090629.db2.gz ZJPRBDPXMJEYRR-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076135 855094101 /nfs/dbraw/zinc/09/41/01/855094101.db2.gz GYXIDYUHBAUELD-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083240 855097264 /nfs/dbraw/zinc/09/72/64/855097264.db2.gz PAWFERNQUGOIKD-CABCVRRESA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001100675890 855207921 /nfs/dbraw/zinc/20/79/21/855207921.db2.gz BVBSXOJPZWUBGK-NFOMZHRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001100675891 855208662 /nfs/dbraw/zinc/20/86/62/855208662.db2.gz BVBSXOJPZWUBGK-WLYUNCDWSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769542 855221203 /nfs/dbraw/zinc/22/12/03/855221203.db2.gz PCHWAKVCKGRVFC-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513416 855441911 /nfs/dbraw/zinc/44/19/11/855441911.db2.gz JSEQFKGMXYDOPG-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579858 855447784 /nfs/dbraw/zinc/44/77/84/855447784.db2.gz UFMDGEBKQAYWSI-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111856055 855600306 /nfs/dbraw/zinc/60/03/06/855600306.db2.gz ZSKDDJLAEKAFII-YOEHRIQHSA-N 2 0 289.423 0.932 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001118199059 856197387 /nfs/dbraw/zinc/19/73/87/856197387.db2.gz AHFUDPXPPMAFRB-GHMZBOCLSA-N 2 0 250.346 0.266 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118263174 856229176 /nfs/dbraw/zinc/22/91/76/856229176.db2.gz CJAITLMIEORXKE-UHFFFAOYSA-N 2 0 294.399 0.464 20 30 CCEDRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001118384042 856284680 /nfs/dbraw/zinc/28/46/80/856284680.db2.gz PCXKOJDHXRXHJE-OLZOCXBDSA-N 2 0 266.389 0.856 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001324081743 912659538 /nfs/dbraw/zinc/65/95/38/912659538.db2.gz PWALODGTQKKFFF-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211072975 891579863 /nfs/dbraw/zinc/57/98/63/891579863.db2.gz XWJSVQBZLDUZAV-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480907304 891738737 /nfs/dbraw/zinc/73/87/37/891738737.db2.gz CMBUIYYORXYNFV-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001325850116 913606711 /nfs/dbraw/zinc/60/67/11/913606711.db2.gz VAKGELIBVOIJIH-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001496208424 891938586 /nfs/dbraw/zinc/93/85/86/891938586.db2.gz WWERSYQKDQOTOT-CHWSQXEVSA-N 2 0 253.390 0.786 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001481066979 892125060 /nfs/dbraw/zinc/12/50/60/892125060.db2.gz YNWQFTAWKUKCAK-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001481108089 892170570 /nfs/dbraw/zinc/17/05/70/892170570.db2.gz OTGIVDAFPNCWJN-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481123421 892199813 /nfs/dbraw/zinc/19/98/13/892199813.db2.gz IEIBEFFDHBFOMV-HUUCEWRRSA-N 2 0 293.411 0.026 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001481302165 892552767 /nfs/dbraw/zinc/55/27/67/892552767.db2.gz IYLKKEHJJFUTOK-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481424049 892640602 /nfs/dbraw/zinc/64/06/02/892640602.db2.gz NBKLHBUSYVSIJG-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001342960294 892859637 /nfs/dbraw/zinc/85/96/37/892859637.db2.gz MPSHHLJBRBOUTP-MBNYWOFBSA-N 2 0 264.373 0.737 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001284437952 893558701 /nfs/dbraw/zinc/55/87/01/893558701.db2.gz BAYOHISJSNYPPX-CQSZACIVSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001482220401 893597397 /nfs/dbraw/zinc/59/73/97/893597397.db2.gz XOSKKWPFCXFWEP-OAHLLOKOSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001482433545 893978020 /nfs/dbraw/zinc/97/80/20/893978020.db2.gz KUJZZQRWHYZPLH-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001482569835 894254526 /nfs/dbraw/zinc/25/45/26/894254526.db2.gz HIMRLNSIWGZCFS-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482648890 894446256 /nfs/dbraw/zinc/44/62/56/894446256.db2.gz AMJBJXHVOJTZMM-ZDUSSCGKSA-N 2 0 251.374 0.352 20 30 CCEDRP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482648889 894447479 /nfs/dbraw/zinc/44/74/79/894447479.db2.gz AMJBJXHVOJTZMM-CYBMUJFWSA-N 2 0 251.374 0.352 20 30 CCEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482788262 894602988 /nfs/dbraw/zinc/60/29/88/894602988.db2.gz YFEAGAKRSKJDQS-ZIAGYGMSSA-N 2 0 295.427 0.504 20 30 CCEDRP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482833645 894638953 /nfs/dbraw/zinc/63/89/53/894638953.db2.gz OYHPSLLQDWXEAA-TZMCWYRMSA-N 2 0 265.401 0.999 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC#CCOC)C[C@@H]1C ZINC001507328590 895550916 /nfs/dbraw/zinc/55/09/16/895550916.db2.gz QKCHBVUYJIHXAQ-LSDHHAIUSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001484188434 896225250 /nfs/dbraw/zinc/22/52/50/896225250.db2.gz ZYHOQDTVDCOEJI-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484252889 896290765 /nfs/dbraw/zinc/29/07/65/896290765.db2.gz XXJBEDCKJSTLSF-ZFWWWQNUSA-N 2 0 281.400 0.067 20 30 CCEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001484856664 896636237 /nfs/dbraw/zinc/63/62/37/896636237.db2.gz OPZAODHFZATHDV-INIZCTEOSA-N 2 0 295.427 0.295 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001484856667 896637359 /nfs/dbraw/zinc/63/73/59/896637359.db2.gz OQJYGZNNEGMGJC-OAHLLOKOSA-N 2 0 283.416 0.457 20 30 CCEDRP C=CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001485109603 896786909 /nfs/dbraw/zinc/78/69/09/896786909.db2.gz AVMOUJDPBMYFTD-UHFFFAOYSA-N 2 0 251.374 0.753 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485195894 896853898 /nfs/dbraw/zinc/85/38/98/896853898.db2.gz BAXYCAOFRDBBKA-CHWSQXEVSA-N 2 0 291.399 0.174 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418177 897905915 /nfs/dbraw/zinc/90/59/15/897905915.db2.gz CKQOSNRPAGZVPJ-HUUCEWRRSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CC#C)CCC1 ZINC001326836018 914217966 /nfs/dbraw/zinc/21/79/66/914217966.db2.gz YSBKLFSVXLTLHG-AWEZNQCLSA-N 2 0 273.380 0.346 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078007589 898175573 /nfs/dbraw/zinc/17/55/73/898175573.db2.gz UWSVPFBJNUKGOU-BFHYXJOUSA-N 2 0 281.400 0.066 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436863 898220963 /nfs/dbraw/zinc/22/09/63/898220963.db2.gz NOPGFSFELCKPBX-KFWWJZLASA-N 2 0 297.443 0.964 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001486086685 898647121 /nfs/dbraw/zinc/64/71/21/898647121.db2.gz YRWXJDJSZSRVPZ-KGLIPLIRSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001486094944 898653165 /nfs/dbraw/zinc/65/31/65/898653165.db2.gz FMIQCPBOYWAJRJ-UONOGXRCSA-N 2 0 265.401 0.929 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486239955 898722132 /nfs/dbraw/zinc/72/21/32/898722132.db2.gz HNRXBEYTEDVOGA-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001486388977 898849979 /nfs/dbraw/zinc/84/99/79/898849979.db2.gz HBYPGFLUZCDJBX-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001327017625 914315540 /nfs/dbraw/zinc/31/55/40/914315540.db2.gz JZEUVIRPPDOCTM-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC#CCOC)C(C)C ZINC001135477524 899838830 /nfs/dbraw/zinc/83/88/30/899838830.db2.gz HMKCQUNZYCVERU-OAHLLOKOSA-N 2 0 297.443 0.708 20 30 CCEDRP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189390686 900012515 /nfs/dbraw/zinc/01/25/15/900012515.db2.gz SYRVHAOTZNVGBQ-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001488872875 900408459 /nfs/dbraw/zinc/40/84/59/900408459.db2.gz SJMDXOHVONGINY-HDJSIYSDSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001490282048 900588363 /nfs/dbraw/zinc/58/83/63/900588363.db2.gz QKPDXUAEUHLGMZ-UHFFFAOYSA-N 2 0 253.390 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC001280593229 900972240 /nfs/dbraw/zinc/97/22/40/900972240.db2.gz ABZZJTRITJOSDS-LSDHHAIUSA-N 2 0 293.411 0.311 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491051215 903309101 /nfs/dbraw/zinc/30/91/01/903309101.db2.gz VFZCZBHOZCLHTE-PHIMTYICSA-N 2 0 259.781 0.927 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001280631779 904130393 /nfs/dbraw/zinc/13/03/93/904130393.db2.gz URNNJWVAIQFXDB-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001281769980 904344922 /nfs/dbraw/zinc/34/49/22/904344922.db2.gz BZLXUIOXMRZTQP-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001283633288 904941088 /nfs/dbraw/zinc/94/10/88/904941088.db2.gz YIBOEXFCFZRBQF-AWEZNQCLSA-N 2 0 297.443 0.967 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001283712595 904968525 /nfs/dbraw/zinc/96/85/25/904968525.db2.gz AOLFJXUUDCSBHR-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001284425365 905290043 /nfs/dbraw/zinc/29/00/43/905290043.db2.gz NXFCQJGAMGEERO-KGLIPLIRSA-N 2 0 285.432 0.558 20 30 CCEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501413 905337734 /nfs/dbraw/zinc/33/77/34/905337734.db2.gz DHKLDKRTHGIZFV-CABCVRRESA-N 2 0 295.427 0.245 20 30 CCEDRP C=CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CCOC ZINC001284658019 905413412 /nfs/dbraw/zinc/41/34/12/905413412.db2.gz OHEGBIYJKZVMED-UHFFFAOYSA-N 2 0 283.416 0.579 20 30 CCEDRP C#CCN1CCC[C@@H](NC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)C1 ZINC001337016101 921153976 /nfs/dbraw/zinc/15/39/76/921153976.db2.gz LTAJNSUVKRHXMQ-KFWWJZLASA-N 2 0 290.411 0.430 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316638681 905602841 /nfs/dbraw/zinc/60/28/41/905602841.db2.gz DKQMANZVTGZTAQ-HDJSIYSDSA-N 2 0 295.427 0.768 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491829840 907596540 /nfs/dbraw/zinc/59/65/40/907596540.db2.gz RZCRGYMINQJEET-CYBMUJFWSA-N 2 0 263.385 0.400 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317335673 909147577 /nfs/dbraw/zinc/14/75/77/909147577.db2.gz FKYJXNKZTHVYBM-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001317414468 909185539 /nfs/dbraw/zinc/18/55/39/909185539.db2.gz UOHQSFMPKYWAPH-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317654896 909445872 /nfs/dbraw/zinc/44/58/72/909445872.db2.gz LJTYDSWCUWNDMI-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC ZINC001319196131 910029367 /nfs/dbraw/zinc/02/93/67/910029367.db2.gz LEIRVCUOHKSJLK-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001319860561 910325866 /nfs/dbraw/zinc/32/58/66/910325866.db2.gz GUAPDRSVBIJHCL-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319902039 910341010 /nfs/dbraw/zinc/34/10/10/910341010.db2.gz CVYNHEJIGLTSCO-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001320043347 910435293 /nfs/dbraw/zinc/43/52/93/910435293.db2.gz TVGFSFINJNAGHF-UHFFFAOYSA-N 2 0 265.401 0.742 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001320184870 910499982 /nfs/dbraw/zinc/49/99/82/910499982.db2.gz QKTPBUXQRZBEMI-UONOGXRCSA-N 2 0 263.385 0.590 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320226659 910540201 /nfs/dbraw/zinc/54/02/01/910540201.db2.gz DPLPCRZMFPBIJF-KBPBESRZSA-N 2 0 283.416 0.504 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320640663 910773738 /nfs/dbraw/zinc/77/37/38/910773738.db2.gz SWVOHRBLVSYFRZ-KGLIPLIRSA-N 2 0 281.400 0.072 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001321092474 911082519 /nfs/dbraw/zinc/08/25/19/911082519.db2.gz RBNLAWYARBFVKM-SREVYHEPSA-N 2 0 263.385 0.756 20 30 CCEDRP C=CCOCC[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321969688 911599021 /nfs/dbraw/zinc/59/90/21/911599021.db2.gz XHDSYAVOUFKHNK-ZDUSSCGKSA-N 2 0 283.416 0.625 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001328362510 915141482 /nfs/dbraw/zinc/14/14/82/915141482.db2.gz INOGZPNDWKMSRF-UONOGXRCSA-N 2 0 288.395 0.953 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CC[NH2+]1 ZINC001329099073 915666769 /nfs/dbraw/zinc/66/67/69/915666769.db2.gz FSDHFMVJIJIGCB-IJLUTSLNSA-N 2 0 252.362 0.654 20 30 CCEDRP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001329105680 915676414 /nfs/dbraw/zinc/67/64/14/915676414.db2.gz BGJQQQXRLMNRPT-CHWSQXEVSA-N 2 0 269.389 0.071 20 30 CCEDRP C#CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001329459290 915934893 /nfs/dbraw/zinc/93/48/93/915934893.db2.gz ICTJFTKERFFNCU-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329514108 915976375 /nfs/dbraw/zinc/97/63/75/915976375.db2.gz AIGHMZGZDXXGJR-CQSZACIVSA-N 2 0 295.427 0.415 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401575830 916327135 /nfs/dbraw/zinc/32/71/35/916327135.db2.gz GJHGMBAHBNFEKB-VXGBXAGGSA-N 2 0 289.807 0.147 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001330422512 916621514 /nfs/dbraw/zinc/62/15/14/916621514.db2.gz CSNJTIQRWYUCFI-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C[C@H]([NH3+])C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331330834 917269288 /nfs/dbraw/zinc/26/92/88/917269288.db2.gz SQEYIAAKYIOOPI-ZNIYZERRSA-N 2 0 264.373 0.368 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001331468516 917354794 /nfs/dbraw/zinc/35/47/94/917354794.db2.gz BZGPXCAIVFWGDZ-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331560404 917417802 /nfs/dbraw/zinc/41/78/02/917417802.db2.gz KQVBFPWKARRNDK-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001331944476 917741238 /nfs/dbraw/zinc/74/12/38/917741238.db2.gz QNXTZEJOIPLVRR-CHWSQXEVSA-N 2 0 251.374 0.539 20 30 CCEDRP C[NH2+]CCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331970499 917770201 /nfs/dbraw/zinc/77/02/01/917770201.db2.gz VBYFRDVNOKSVNX-LXVYMNJGSA-N 2 0 264.373 0.194 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCOC)CC1 ZINC001333630635 919056165 /nfs/dbraw/zinc/05/61/65/919056165.db2.gz HZYUCBPNVBSXIN-GFCCVEGCSA-N 2 0 255.362 0.117 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001335443006 920195889 /nfs/dbraw/zinc/19/58/89/920195889.db2.gz FAOFHULUKSSJJN-HIFRSBDPSA-N 2 0 292.427 0.982 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001335540090 920263069 /nfs/dbraw/zinc/26/30/69/920263069.db2.gz WQZCOVYSTPRUTR-DZGCQCFKSA-N 2 0 278.400 0.464 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCC[NH3+] ZINC001336720441 920954609 /nfs/dbraw/zinc/95/46/09/920954609.db2.gz FRWGORILVOESNT-AWEZNQCLSA-N 2 0 272.352 0.600 20 30 CCEDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001336752511 920981150 /nfs/dbraw/zinc/98/11/50/920981150.db2.gz XZHSVCFOMNSIOM-HNNXBMFYSA-N 2 0 294.443 0.658 20 30 CCEDRP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC001342112470 922809234 /nfs/dbraw/zinc/80/92/34/922809234.db2.gz RIEJJHOYNNAVKQ-MNOVXSKESA-N 2 0 252.362 0.512 20 30 CCEDRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC001342816218 923099250 /nfs/dbraw/zinc/09/92/50/923099250.db2.gz MIOYVUHURLIYPO-RNJOBUHISA-N 2 0 264.373 0.464 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC1CC[NH2+]CC1 ZINC001343568173 923374249 /nfs/dbraw/zinc/37/42/49/923374249.db2.gz HCVCCFPBUDDWMX-LLVKDONJSA-N 2 0 259.781 0.914 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001343670658 923409940 /nfs/dbraw/zinc/40/99/40/923409940.db2.gz CACAXMFPAZTKTB-CQSZACIVSA-N 2 0 257.337 0.382 20 30 CCEDRP C[N@@H+]1C[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)C[C@]2(C)C1 ZINC001345393965 923872402 /nfs/dbraw/zinc/87/24/02/923872402.db2.gz XNISHEUTBMGUIH-ZBFHGGJFSA-N 2 0 275.396 0.400 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001346210582 924112829 /nfs/dbraw/zinc/11/28/29/924112829.db2.gz WBMWNJRNCRXXRZ-ZNMIVQPWSA-N 2 0 295.427 0.728 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001346430042 924208440 /nfs/dbraw/zinc/20/84/40/924208440.db2.gz GUEUZVWCHFCDKD-NWDGAFQWSA-N 2 0 252.362 0.513 20 30 CCEDRP C=CC[C@@H](C)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001346568968 924265155 /nfs/dbraw/zinc/26/51/55/924265155.db2.gz BJEGHYWYHBUHFT-LLVKDONJSA-N 2 0 254.378 0.673 20 30 CCEDRP CNC(NCc1cccc(CN2CC[NH+](C)CC2)c1)=[NH+]C ZINC001349911053 925093093 /nfs/dbraw/zinc/09/30/93/925093093.db2.gz JQCAVJNFUCBBRB-UHFFFAOYSA-N 2 0 289.427 0.729 20 30 CCEDRP C=CCOCC[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530478 925889468 /nfs/dbraw/zinc/88/94/68/925889468.db2.gz ICUUHHWLUHJRFM-CYBMUJFWSA-N 2 0 283.416 0.625 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001356569594 926401953 /nfs/dbraw/zinc/40/19/53/926401953.db2.gz GCUSQRGVTJMBJD-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000600768928 362057297 /nfs/dbraw/zinc/05/72/97/362057297.db2.gz LZWRKAKHOFIWNQ-NSHDSACASA-N 2 0 276.340 0.438 20 30 CCEDRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[NH2+]1 ZINC000602556519 362677692 /nfs/dbraw/zinc/67/76/92/362677692.db2.gz VOGQCNAVILVSAA-GRYCIOLGSA-N 2 0 252.362 0.654 20 30 CCEDRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000573123637 358940498 /nfs/dbraw/zinc/94/04/98/358940498.db2.gz LQOCYUQYHYGERC-VXGBXAGGSA-N 2 0 252.362 0.466 20 30 CCEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000591577087 359601140 /nfs/dbraw/zinc/60/11/40/359601140.db2.gz DUASFJUSJBDEJA-INIZCTEOSA-N 2 0 298.390 0.957 20 30 CCEDRP N#C[C@@]1(c2nc(C3([NH3+])CCCCC3)no2)CC[NH2+]C1 ZINC000591664468 359631482 /nfs/dbraw/zinc/63/14/82/359631482.db2.gz DLRZZSDCHSWAQZ-LBPRGKRZSA-N 2 0 261.329 0.942 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[NH3+] ZINC000593915317 360210576 /nfs/dbraw/zinc/21/05/76/360210576.db2.gz ITODWCXGRLOXIF-JHJVBQTASA-N 2 0 266.389 0.983 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000594442322 360310759 /nfs/dbraw/zinc/31/07/59/360310759.db2.gz PERNCEPGFMDIHQ-FRRDWIJNSA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000594444272 360311207 /nfs/dbraw/zinc/31/12/07/360311207.db2.gz NNWCXMUDPWDIIG-AGIUHOORSA-N 2 0 264.373 0.608 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445912 360312483 /nfs/dbraw/zinc/31/24/83/360312483.db2.gz NJAOKURLLKZLCN-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260919 360464134 /nfs/dbraw/zinc/46/41/34/360464134.db2.gz NKUFAFNAWOVRQX-GMTAPVOTSA-N 2 0 256.325 0.295 20 30 CCEDRP C[N@@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)CC1(C)C ZINC000598976985 361544754 /nfs/dbraw/zinc/54/47/54/361544754.db2.gz XSDIZCRJVXHVDX-LLVKDONJSA-N 2 0 262.361 0.612 20 30 CCEDRP C=CC(C)(C)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629588879 369729922 /nfs/dbraw/zinc/72/99/22/369729922.db2.gz PYSGSUBLKGKISK-CQSZACIVSA-N 2 0 269.433 0.787 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(C)C ZINC000276629099 193406395 /nfs/dbraw/zinc/40/63/95/193406395.db2.gz KIWMCAVPRIZWHO-KFWWJZLASA-N 2 0 295.427 0.524 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638103199 374668550 /nfs/dbraw/zinc/66/85/50/374668550.db2.gz ZHLCKRQUZYHEFU-OAHLLOKOSA-N 2 0 281.400 0.509 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759691 375981861 /nfs/dbraw/zinc/98/18/61/375981861.db2.gz GSMXGLQGGAAINP-UHFFFAOYSA-N 2 0 251.374 0.706 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364581674 262254300 /nfs/dbraw/zinc/25/43/00/262254300.db2.gz QVTWWPNXOKFTFR-HIFRSBDPSA-N 2 0 263.385 0.753 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000296545226 389010364 /nfs/dbraw/zinc/01/03/64/389010364.db2.gz FIJMDHJGTJKNMR-AWEZNQCLSA-N 2 0 292.427 0.891 20 30 CCEDRP C=CCC[C@H](O)C[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000305724942 389088132 /nfs/dbraw/zinc/08/81/32/389088132.db2.gz LFEQUHRWXKNING-GJZGRUSLSA-N 2 0 295.427 0.728 20 30 CCEDRP C[C@H]1C[N@H+](CC#CC[NH+]2C[C@H](CO)[C@H](C)C2)C[C@H]1CO ZINC000342133589 389197456 /nfs/dbraw/zinc/19/74/56/389197456.db2.gz RGIZQDGPRHVBPC-GEEKYZPCSA-N 2 0 280.412 0.110 20 30 CCEDRP CNC(NCc1ccc(CN2CC[NH+](C)CC2)cc1)=[NH+]C ZINC000264064617 389303896 /nfs/dbraw/zinc/30/38/96/389303896.db2.gz DOJBAZRQTFWOOK-UHFFFAOYSA-N 2 0 289.427 0.729 20 30 CCEDRP CNC(NCc1cccc(C(=O)NCC[NH+](C)C)c1)=[NH+]C ZINC000264069207 389304710 /nfs/dbraw/zinc/30/47/10/389304710.db2.gz CRRFCBKVGRNMHH-UHFFFAOYSA-N 2 0 291.399 0.273 20 30 CCEDRP CCNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000264118449 389307681 /nfs/dbraw/zinc/30/76/81/389307681.db2.gz QMLHLBYMQBIAIW-UHFFFAOYSA-N 2 0 276.388 0.258 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417519820 389825788 /nfs/dbraw/zinc/82/57/88/389825788.db2.gz BDRUCXMPXUQKIQ-OCCSQVGLSA-N 2 0 280.416 0.934 20 30 CCEDRP C=CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000647799521 390175607 /nfs/dbraw/zinc/17/56/07/390175607.db2.gz IMLMEOMBHYPDKJ-YNEHKIRRSA-N 2 0 261.373 0.942 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662757853 414766574 /nfs/dbraw/zinc/76/65/74/414766574.db2.gz OHDOGBWQRULXBK-HNNXBMFYSA-N 2 0 280.416 0.048 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662757125 414766643 /nfs/dbraw/zinc/76/66/43/414766643.db2.gz LEOYVQIPBRIUIO-GOEBONIOSA-N 2 0 294.443 0.437 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC[NH2+]1 ZINC000662759615 414769092 /nfs/dbraw/zinc/76/90/92/414769092.db2.gz UNUNYNBFHQJWRI-DZGCQCFKSA-N 2 0 280.416 0.047 20 30 CCEDRP C=CC[C@@]1(C(=O)N(C)CCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662413261 414715749 /nfs/dbraw/zinc/71/57/49/414715749.db2.gz VANNQYKLWKDODF-HNNXBMFYSA-N 2 0 280.416 0.048 20 30 CCEDRP C=CC[C@@]1(C(=O)NCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000662668659 414739050 /nfs/dbraw/zinc/73/90/50/414739050.db2.gz ORNWJPOTQPUUHO-AWEZNQCLSA-N 2 0 251.374 0.897 20 30 CCEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)C(C)C ZINC000662681588 414740448 /nfs/dbraw/zinc/74/04/48/414740448.db2.gz JENDODQXOMRKFJ-ZDUSSCGKSA-N 2 0 281.400 0.136 20 30 CCEDRP C=CC[C@]1(C(=O)NCCN2CCOCC2(C)C)CCC[NH2+]1 ZINC000662715854 414745733 /nfs/dbraw/zinc/74/57/33/414745733.db2.gz WTSUJMFNKZEGMM-MRXNPFEDSA-N 2 0 295.427 0.912 20 30 CCEDRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000329809031 545026812 /nfs/dbraw/zinc/02/68/12/545026812.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 0 297.447 0.219 20 30 CCEDRP C#CCN(CC)[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000490778948 261207631 /nfs/dbraw/zinc/20/76/31/261207631.db2.gz PEPPZEDZCQUSBA-ZDUSSCGKSA-N 2 0 251.374 0.494 20 30 CCEDRP CNC(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)=[NH+]C ZINC000272883393 263009661 /nfs/dbraw/zinc/00/96/61/263009661.db2.gz HXWCNMNRTPMFRD-AWEZNQCLSA-N 2 0 276.384 0.548 20 30 CCEDRP OCC[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1CCO ZINC000342127118 263390427 /nfs/dbraw/zinc/39/04/27/263390427.db2.gz LPTSJIAZIJMBLE-HOTGVXAUSA-N 2 0 280.412 0.683 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000417523294 264412457 /nfs/dbraw/zinc/41/24/57/264412457.db2.gz IHJUIIISJSCDPH-CYBMUJFWSA-N 2 0 266.389 0.770 20 30 CCEDRP C[C@H](C[NH2+]C[C@H](C#N)CCC#N)CN1CC[NH+](C)CC1 ZINC000562994050 327739440 /nfs/dbraw/zinc/73/94/40/327739440.db2.gz UJBSVLPBHIYBFF-CABCVRRESA-N 2 0 277.416 0.903 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563155056 327931624 /nfs/dbraw/zinc/93/16/24/327931624.db2.gz ZHPJFYGUFOSELH-YUTCNCBUSA-N 2 0 281.400 0.505 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261752375 328141058 /nfs/dbraw/zinc/14/10/58/328141058.db2.gz LZDLHDSTVDXAGH-DGCLKSJQSA-N 2 0 290.415 0.568 20 30 CCEDRP CSC1(CNC2=[NH+]C[C@H](C)N2)CC[NH+](C)CC1 ZINC000262417091 330008996 /nfs/dbraw/zinc/00/89/96/330008996.db2.gz ZFYMRVKZUOUFLD-JTQLQIEISA-N 2 0 256.419 0.751 20 30 CCEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@H](COC)C1 ZINC000262478705 330016366 /nfs/dbraw/zinc/01/63/66/330016366.db2.gz QXVHKAHOQHQJCX-ZDUSSCGKSA-N 2 0 268.405 0.626 20 30 CCEDRP [NH2+]=C(NCCc1cccs1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262766299 330030152 /nfs/dbraw/zinc/03/01/52/330030152.db2.gz HILXELNFVQVTJM-GFCCVEGCSA-N 2 0 293.440 0.195 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262820719 330033928 /nfs/dbraw/zinc/03/39/28/330033928.db2.gz YDJWWMHHMIFBNU-VXGBXAGGSA-N 2 0 280.416 0.692 20 30 CCEDRP N#C[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423182934 330175403 /nfs/dbraw/zinc/17/54/03/330175403.db2.gz KMXSOQDVZJODHZ-UONOGXRCSA-N 2 0 250.390 0.954 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424146908 330293941 /nfs/dbraw/zinc/29/39/41/330293941.db2.gz QKEHJCIXNPBPAE-OLZOCXBDSA-N 2 0 266.389 0.950 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C[NH3+])C1 ZINC000424177078 330317485 /nfs/dbraw/zinc/31/74/85/330317485.db2.gz PJQHQQVHRXZEFS-GRYCIOLGSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000491694990 332290984 /nfs/dbraw/zinc/29/09/84/332290984.db2.gz WRTCYOSBVHPJKC-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000491736532 332316726 /nfs/dbraw/zinc/31/67/26/332316726.db2.gz AYXRDWRHPKBYHH-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000491761887 332332096 /nfs/dbraw/zinc/33/20/96/332332096.db2.gz XVEKZRNDNFYMKS-UHFFFAOYSA-N 2 0 294.443 0.085 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000491809119 332361939 /nfs/dbraw/zinc/36/19/39/332361939.db2.gz GAQXJMXRBIUAGE-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000581487186 336087870 /nfs/dbraw/zinc/08/78/70/336087870.db2.gz XSANDQXHVHBWCT-WCQYABFASA-N 2 0 251.374 0.751 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)C1=O ZINC000334785294 526506988 /nfs/dbraw/zinc/50/69/88/526506988.db2.gz NSFKFKMTIAGFSR-ZDUSSCGKSA-N 2 0 263.385 0.849 20 30 CCEDRP C=C(C)[C@H](CO)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000679319136 545406903 /nfs/dbraw/zinc/40/69/03/545406903.db2.gz ROHKMUVXUZICRF-AWEZNQCLSA-N 2 0 255.406 0.493 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N(C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000305820084 649880683 /nfs/dbraw/zinc/88/06/83/649880683.db2.gz OIDODTAISYNVIV-LBPRGKRZSA-N 2 0 267.421 0.279 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC#N ZINC000787371861 581469334 /nfs/dbraw/zinc/46/93/34/581469334.db2.gz WDWOXILBWZRUHX-AWEZNQCLSA-N 2 0 295.431 0.958 20 30 CCEDRP C#CC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911666564 612956848 /nfs/dbraw/zinc/95/68/48/612956848.db2.gz IVMXSBPRUMWILX-CQSZACIVSA-N 2 0 274.368 0.091 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876920429 613387339 /nfs/dbraw/zinc/38/73/39/613387339.db2.gz RHDASPMAFGKTMY-VHSXEESVSA-N 2 0 261.753 0.033 20 30 CCEDRP C#CCOCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020834 612978823 /nfs/dbraw/zinc/97/88/23/612978823.db2.gz VEUQKRJYOODRGK-HUUCEWRRSA-N 2 0 295.427 0.224 20 30 CCEDRP CC1CC[NH+](CC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913519561 614432813 /nfs/dbraw/zinc/43/28/13/614432813.db2.gz FOERBCYHUQUXEV-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000969086228 612959836 /nfs/dbraw/zinc/95/98/36/612959836.db2.gz CRXLDVPGTYVQCD-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939053592 612974690 /nfs/dbraw/zinc/97/46/90/612974690.db2.gz ATOURIISTHAVNK-JSGCOSHPSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900797546 612999073 /nfs/dbraw/zinc/99/90/73/612999073.db2.gz GMVXLIRZLBLNSJ-ZBFHGGJFSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978963878 613041443 /nfs/dbraw/zinc/04/14/43/613041443.db2.gz UBIZOQJQJJTJIG-QKDCVEJESA-N 2 0 287.407 0.400 20 30 CCEDRP C#CCN(C(=O)C[NH+](CC)CC)C1CC[NH+](C)CC1 ZINC000886581512 613065982 /nfs/dbraw/zinc/06/59/82/613065982.db2.gz ZYEUAGVDKGSTKD-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)C1CCC([NH3+])CC1 ZINC000841910504 613072927 /nfs/dbraw/zinc/07/29/27/613072927.db2.gz ROSXMHNIPJWVRY-UHFFFAOYSA-N 2 0 280.416 0.853 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000858494044 613075818 /nfs/dbraw/zinc/07/58/18/613075818.db2.gz LSYJEEMEXHVHFF-OAHLLOKOSA-N 2 0 294.443 0.973 20 30 CCEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)NC1CC1 ZINC000849001167 613219577 /nfs/dbraw/zinc/21/95/77/613219577.db2.gz CXSGBZYJYZUSIE-CYBMUJFWSA-N 2 0 295.431 0.257 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978968035 613311891 /nfs/dbraw/zinc/31/18/91/613311891.db2.gz CSHNABQMKQYNCT-XMQYKBBCSA-N 2 0 298.390 0.688 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962294019 613344488 /nfs/dbraw/zinc/34/44/88/613344488.db2.gz QBQGCXMQWIHRBJ-NYTXWWLZSA-N 2 0 277.412 0.951 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000907762535 613363734 /nfs/dbraw/zinc/36/37/34/613363734.db2.gz FLGVHLBWUGFOTP-UHFFFAOYSA-N 2 0 251.374 0.658 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000907804472 613364492 /nfs/dbraw/zinc/36/44/92/613364492.db2.gz GKBJDTWHJOAEDD-BETUJISGSA-N 2 0 251.374 0.514 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000901331258 613364618 /nfs/dbraw/zinc/36/46/18/613364618.db2.gz RMLMRBLEXCRBLS-UHFFFAOYSA-N 2 0 251.374 0.872 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000908030044 613365012 /nfs/dbraw/zinc/36/50/12/613365012.db2.gz WLVONMAAQCIOQW-AWEZNQCLSA-N 2 0 280.416 0.000 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000900307616 613365077 /nfs/dbraw/zinc/36/50/77/613365077.db2.gz OLMPAFHMEYMWLK-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876863474 613388337 /nfs/dbraw/zinc/38/83/37/613388337.db2.gz GILHXWISURZEQO-RNFRBKRXSA-N 2 0 255.696 0.555 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971205342 613617670 /nfs/dbraw/zinc/61/76/70/613617670.db2.gz USZXBVHZHQEWIR-CHWSQXEVSA-N 2 0 251.374 0.799 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735820 613626704 /nfs/dbraw/zinc/62/67/04/613626704.db2.gz QNAMERPPKAVYCO-ZDUSSCGKSA-N 2 0 263.385 0.801 20 30 CCEDRP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000962758532 613635677 /nfs/dbraw/zinc/63/56/77/613635677.db2.gz WXAUPZUZYLTKRP-XUWVNRHRSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891522150 613675060 /nfs/dbraw/zinc/67/50/60/613675060.db2.gz NKYOHLLXYQBJQA-TXEJJXNPSA-N 2 0 266.389 0.673 20 30 CCEDRP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974761063 613808329 /nfs/dbraw/zinc/80/83/29/613808329.db2.gz YLKMOWBTBSFLDY-MGPQQGTHSA-N 2 0 295.427 0.718 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000962279797 613837575 /nfs/dbraw/zinc/83/75/75/613837575.db2.gz KKYVTUMXTATITA-CXTNEJHOSA-N 2 0 263.385 0.561 20 30 CCEDRP C=CCNC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865246029 613857073 /nfs/dbraw/zinc/85/70/73/613857073.db2.gz WMTYFMFAGMZDPG-CHWSQXEVSA-N 2 0 284.473 0.718 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000876997753 614274042 /nfs/dbraw/zinc/27/40/42/614274042.db2.gz GFRASSSUTINANZ-CQSZACIVSA-N 2 0 263.385 0.446 20 30 CCEDRP CC1(C)CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[NH2+]1 ZINC000884305113 614584690 /nfs/dbraw/zinc/58/46/90/614584690.db2.gz MCGOSNPFEIZMHD-AVERBVTBSA-N 2 0 276.384 0.336 20 30 CCEDRP CCOCCCNC(=[NH2+])NCC[N@H+](CC)C1CC1 ZINC000104191624 615241586 /nfs/dbraw/zinc/24/15/86/615241586.db2.gz OMTSKFTVGBQINF-UHFFFAOYSA-N 2 0 256.394 0.802 20 30 CCEDRP CC[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+](CC)CC ZINC000844195185 615609081 /nfs/dbraw/zinc/60/90/81/615609081.db2.gz RPXGRQBAOYPSBX-GRYCIOLGSA-N 2 0 252.362 0.335 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000114053927 615671536 /nfs/dbraw/zinc/67/15/36/615671536.db2.gz NTOCUXPSUZNIDZ-NSHDSACASA-N 2 0 256.394 0.800 20 30 CCEDRP C[NH+](C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884196575 615973481 /nfs/dbraw/zinc/97/34/81/615973481.db2.gz VEGVYAPXWUSZNC-WJEHIRDRSA-N 2 0 290.411 0.582 20 30 CCEDRP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876710584 616173799 /nfs/dbraw/zinc/17/37/99/616173799.db2.gz LPXFAVYJPXCNJZ-MRXNPFEDSA-N 2 0 298.390 0.955 20 30 CCEDRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NCCC#N)C2)CC1 ZINC000799178670 616177377 /nfs/dbraw/zinc/17/73/77/616177377.db2.gz CCJUSNSNHWZCLN-UHFFFAOYSA-N 2 0 278.400 0.824 20 30 CCEDRP C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC[NH2+]CC3)CC[C@@H]21 ZINC000877248491 616310425 /nfs/dbraw/zinc/31/04/25/616310425.db2.gz ACFRLGPUFYIJOF-CABCVRRESA-N 2 0 275.396 0.542 20 30 CCEDRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876518625 617046815 /nfs/dbraw/zinc/04/68/15/617046815.db2.gz WHTVQFDUOUHQIX-GDBMZVCRSA-N 2 0 298.390 0.955 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001026401880 625431617 /nfs/dbraw/zinc/43/16/17/625431617.db2.gz ZLVSRDOPKIKWGN-SOUVJXGZSA-N 2 0 287.407 0.542 20 30 CCEDRP C#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001026560713 625472448 /nfs/dbraw/zinc/47/24/48/625472448.db2.gz CJFCYMUHSALVNL-NFOMZHRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447604 623323122 /nfs/dbraw/zinc/32/31/22/623323122.db2.gz YNIHEJHKDYSROF-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000170908005 623813290 /nfs/dbraw/zinc/81/32/90/623813290.db2.gz ZGWIZVSUTQJJRY-CYBMUJFWSA-N 2 0 268.405 0.824 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001020589975 624544416 /nfs/dbraw/zinc/54/44/16/624544416.db2.gz JCGNXJUOXORPKJ-AAVRWANBSA-N 2 0 265.401 0.997 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001020591147 624544600 /nfs/dbraw/zinc/54/46/00/624544600.db2.gz GAIAJCWICXAIQP-CYDGBPFRSA-N 2 0 251.374 0.607 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020720161 624587264 /nfs/dbraw/zinc/58/72/64/624587264.db2.gz WHCDCGUXYHMVLR-HDJSIYSDSA-N 2 0 291.399 0.481 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001022278199 624909197 /nfs/dbraw/zinc/90/91/97/624909197.db2.gz HLIXXNIZMDQJIW-XGUBFFRZSA-N 2 0 275.396 0.873 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001027443810 625885791 /nfs/dbraw/zinc/88/57/91/625885791.db2.gz OYBNRZYXNHYZEH-HUUCEWRRSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001027462624 625895247 /nfs/dbraw/zinc/89/52/47/625895247.db2.gz AAMQDRDWROVHIW-ZIAGYGMSSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027680341 630848652 /nfs/dbraw/zinc/84/86/52/630848652.db2.gz DBEJZIMNPIZZDY-KBPBESRZSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000987257925 632849542 /nfs/dbraw/zinc/84/95/42/632849542.db2.gz ZPUAUYQLKCZJDV-LSDHHAIUSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000987359435 632861519 /nfs/dbraw/zinc/86/15/19/632861519.db2.gz OLVNFROHFUMWAN-OLZOCXBDSA-N 2 0 263.385 0.847 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000989523400 633324456 /nfs/dbraw/zinc/32/44/56/633324456.db2.gz SHHCYRXOICOFOX-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CCN1CCCN(C(=O)CCc2cncn2C)CC1 ZINC000989585083 633332774 /nfs/dbraw/zinc/33/27/74/633332774.db2.gz VJTJSMOMKOUOAA-UHFFFAOYSA-N 2 0 288.395 0.910 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992903819 637633102 /nfs/dbraw/zinc/63/31/02/637633102.db2.gz DECMQPGGCNAWPN-BZUAXINKSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996619361 638825058 /nfs/dbraw/zinc/82/50/58/638825058.db2.gz ZTYGMMRWILDDLX-OLZOCXBDSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997009135 638848436 /nfs/dbraw/zinc/84/84/36/638848436.db2.gz OZOWUFXXTZYTDG-GXTWGEPZSA-N 2 0 265.401 0.951 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001014486069 650456009 /nfs/dbraw/zinc/45/60/09/650456009.db2.gz ZNEPVVYSGGNPBM-HZSPNIEDSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001000920357 639195020 /nfs/dbraw/zinc/19/50/20/639195020.db2.gz UKBWQIGNZGLBOW-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP CC#CC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002053945 639366885 /nfs/dbraw/zinc/36/68/85/639366885.db2.gz VJBDDKGHLHCJST-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002127544 639369612 /nfs/dbraw/zinc/36/96/12/639369612.db2.gz SEZQQUCEWNZOHM-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CCSc1ccccc1NC(=O)CNC(C[NH3+])C[NH3+] ZINC000923350527 640095875 /nfs/dbraw/zinc/09/58/75/640095875.db2.gz AYTRMRFIJXVRMS-UHFFFAOYSA-N 2 0 294.424 0.779 20 30 CCEDRP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923479684 640158877 /nfs/dbraw/zinc/15/88/77/640158877.db2.gz RTCHUJUMQIJJAL-DZGCQCFKSA-N 2 0 289.379 0.969 20 30 CCEDRP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000923478669 640159267 /nfs/dbraw/zinc/15/92/67/640159267.db2.gz FZWZREAQJXBWFT-HUUCEWRRSA-N 2 0 289.379 0.969 20 30 CCEDRP C[C@@H](C#N)OCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000801931827 640676463 /nfs/dbraw/zinc/67/64/63/640676463.db2.gz PQERSZHLLPNFSE-ZDUSSCGKSA-N 2 0 296.415 0.305 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001016808178 650762258 /nfs/dbraw/zinc/76/22/58/650762258.db2.gz PIUIQGXHVOOBDH-OAHLLOKOSA-N 2 0 289.423 0.932 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000834500093 642588737 /nfs/dbraw/zinc/58/87/37/642588737.db2.gz QDIBPVNVHLMTGD-CMPLNLGQSA-N 2 0 255.281 0.176 20 30 CCEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194195 643177518 /nfs/dbraw/zinc/17/75/18/643177518.db2.gz BEUHNAUCRYXFRU-USZNOCQGSA-N 2 0 250.346 0.087 20 30 CCEDRP C[C@@H]1C[NH+](CCCNC2=[NH+]CCN2C)C[C@@H](C)O1 ZINC000848983530 643691103 /nfs/dbraw/zinc/69/11/03/643691103.db2.gz HVPZESLAQSEPEM-VXGBXAGGSA-N 2 0 254.378 0.377 20 30 CCEDRP [NH3+]CC[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852879585 644039390 /nfs/dbraw/zinc/03/93/90/644039390.db2.gz XQJXZBCMWJPVKC-CQSZACIVSA-N 2 0 263.385 0.577 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852880196 644039623 /nfs/dbraw/zinc/03/96/23/644039623.db2.gz KASSKPSPEIMQKJ-LALPHHSUSA-N 2 0 263.385 0.492 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852882448 644041488 /nfs/dbraw/zinc/04/14/88/644041488.db2.gz HHTBTJGNICANAV-JKSUJKDBSA-N 2 0 289.423 0.838 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000852894674 644048028 /nfs/dbraw/zinc/04/80/28/644048028.db2.gz XRZQEFASUUHMSC-UHFFFAOYSA-N 2 0 261.369 0.344 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001018860483 650916662 /nfs/dbraw/zinc/91/66/62/650916662.db2.gz FXGXZSAHAGRISV-ZDUSSCGKSA-N 2 0 291.399 0.435 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001019189487 650945317 /nfs/dbraw/zinc/94/53/17/650945317.db2.gz NPRCWXJPLOMTPI-LSDHHAIUSA-N 2 0 275.396 0.685 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[C@H]1[NH3+] ZINC000876532348 646621827 /nfs/dbraw/zinc/62/18/27/646621827.db2.gz FDLNKMSOZRNBJD-LYRGGWFBSA-N 2 0 298.390 0.941 20 30 CCEDRP C[C@@H](C[NH3+])CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876786470 646663894 /nfs/dbraw/zinc/66/38/94/646663894.db2.gz IJUSNORYFCHITI-IINYFYTJSA-N 2 0 272.352 0.456 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876801822 646669311 /nfs/dbraw/zinc/66/93/11/646669311.db2.gz JILDNGCRHXSZEZ-BZUAXINKSA-N 2 0 298.390 0.736 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877273034 646776009 /nfs/dbraw/zinc/77/60/09/646776009.db2.gz BTEMAKHFFHSYLT-KBPBESRZSA-N 2 0 261.369 0.342 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877340433 646798085 /nfs/dbraw/zinc/79/80/85/646798085.db2.gz NCZWBFBUYHVLOC-KRWDZBQOSA-N 2 0 297.402 0.820 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877385113 646807584 /nfs/dbraw/zinc/80/75/84/646807584.db2.gz BEAZNVRRNVTUQS-SCRDCRAPSA-N 2 0 264.373 0.798 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877387739 646808771 /nfs/dbraw/zinc/80/87/71/646808771.db2.gz QNJJUCBZWPRNFA-LOWVWBTDSA-N 2 0 250.346 0.408 20 30 CCEDRP C[C@@H]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H]1C[NH3+] ZINC000884035208 647620189 /nfs/dbraw/zinc/62/01/89/647620189.db2.gz USYLWGHRGLNSEI-DYSQMVFPSA-N 2 0 290.411 0.712 20 30 CCEDRP C[C@@]1(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCC[NH2+]C1 ZINC000884247238 647678563 /nfs/dbraw/zinc/67/85/63/647678563.db2.gz NOUIKDSJBNACSV-RIALXRMPSA-N 2 0 290.411 0.632 20 30 CCEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000303408244 649819020 /nfs/dbraw/zinc/81/90/20/649819020.db2.gz TUHHXXNHAVDTTI-ZYHUDNBSSA-N 2 0 254.378 0.552 20 30 CCEDRP C[NH+]=C(NC[C@H]1C[N@H+](CC(C)C)CCO1)NC1CC1 ZINC000303409406 649819263 /nfs/dbraw/zinc/81/92/63/649819263.db2.gz VEKJJTLSXVRUEY-ZDUSSCGKSA-N 2 0 268.405 0.671 20 30 CCEDRP C[NH+]=C(NC[C@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000303470120 649821415 /nfs/dbraw/zinc/82/14/15/649821415.db2.gz IELNPIAQNSDLAJ-ZDUSSCGKSA-N 2 0 283.464 0.833 20 30 CCEDRP CC[NH+](CC)CCCNC(NCCN1CCOCC1)=[NH+]C ZINC000303691358 649824143 /nfs/dbraw/zinc/82/41/43/649824143.db2.gz ANERVALYYZSEAK-UHFFFAOYSA-N 2 0 299.463 0.216 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303772554 649824582 /nfs/dbraw/zinc/82/45/82/649824582.db2.gz DRXOJDRAMQCGFB-AWEZNQCLSA-N 2 0 283.464 0.963 20 30 CCEDRP CC(C)NC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000303783992 649825014 /nfs/dbraw/zinc/82/50/14/649825014.db2.gz OTSQUANSEAGIBR-UHFFFAOYSA-N 2 0 290.415 0.646 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCCC1 ZINC000303864717 649825988 /nfs/dbraw/zinc/82/59/88/649825988.db2.gz BCARFKCPCDSFMK-LBPRGKRZSA-N 2 0 254.378 0.365 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](C2CC2)C1 ZINC000303872525 649826005 /nfs/dbraw/zinc/82/60/05/649826005.db2.gz CAQMJZTXVLOYBU-HIFRSBDPSA-N 3 0 293.459 0.859 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000303885314 649826104 /nfs/dbraw/zinc/82/61/04/649826104.db2.gz JRNPRPDCDFLFOK-UHFFFAOYSA-N 2 0 255.410 0.327 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C)C1 ZINC000304751634 649838117 /nfs/dbraw/zinc/83/81/17/649838117.db2.gz JMSODNBWLQWCHQ-KBPBESRZSA-N 3 0 281.448 0.717 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001266479997 790775216 /nfs/dbraw/zinc/77/52/16/790775216.db2.gz HTFPETMJZLURDM-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266939219 791374689 /nfs/dbraw/zinc/37/46/89/791374689.db2.gz COIXXAAAEARHPS-YNEHKIRRSA-N 2 0 253.390 0.997 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC)CC1 ZINC001267117099 791558224 /nfs/dbraw/zinc/55/82/24/791558224.db2.gz MVHQQUAIKQGEBH-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP CC[NH+](CC)CCOCCNC(=O)NCC#CC[NH+](C)C ZINC001233833492 806128690 /nfs/dbraw/zinc/12/86/90/806128690.db2.gz PCZKAFATCPYULK-UHFFFAOYSA-N 2 0 298.431 0.209 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267241735 793230186 /nfs/dbraw/zinc/23/01/86/793230186.db2.gz JELBCQWACVXDMU-CQSZACIVSA-N 2 0 265.401 0.952 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001277974799 806510175 /nfs/dbraw/zinc/51/01/75/806510175.db2.gz XLCREJWTHAIICQ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001278105838 806675241 /nfs/dbraw/zinc/67/52/41/806675241.db2.gz PTNHBHXLPABFMU-CHWSQXEVSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001120591015 798881368 /nfs/dbraw/zinc/88/13/68/798881368.db2.gz STBNWYVKKLPLLC-HNNXBMFYSA-N 2 0 277.412 0.838 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001122001369 799118178 /nfs/dbraw/zinc/11/81/78/799118178.db2.gz NUJWEHYFKDXIIK-MELADBBJSA-N 2 0 291.399 0.357 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC001122135369 799151674 /nfs/dbraw/zinc/15/16/74/799151674.db2.gz AZOQUMHXKRYQEN-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001122233033 799176103 /nfs/dbraw/zinc/17/61/03/799176103.db2.gz DVDKQHUAKLSADA-CYBMUJFWSA-N 2 0 281.400 0.651 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001122331523 799201475 /nfs/dbraw/zinc/20/14/75/799201475.db2.gz LHRZASWYWNGFBU-NEPJUHHUSA-N 2 0 255.362 0.117 20 30 CCEDRP CN(CCN1CC[NH+](C)CC1)Cc1ccc(C#N)nc1 ZINC001140546210 799922187 /nfs/dbraw/zinc/92/21/87/799922187.db2.gz YTJWMVUMVHNKDN-UHFFFAOYSA-N 2 0 273.384 0.632 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001149850074 800303344 /nfs/dbraw/zinc/30/33/44/800303344.db2.gz YLXKFCRBNHKVPM-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152149192 800494947 /nfs/dbraw/zinc/49/49/47/800494947.db2.gz WFGMMITYPVKANF-OKILXGFUSA-N 2 0 281.400 0.215 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391850 800517212 /nfs/dbraw/zinc/51/72/12/800517212.db2.gz GVEZCCXXOYFOQI-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153388165 800627772 /nfs/dbraw/zinc/62/77/72/800627772.db2.gz UFHYADYOXRGNFC-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP N#Cc1ncc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)nc1C#N ZINC001155381998 800962126 /nfs/dbraw/zinc/96/21/26/800962126.db2.gz JTXLVSZUYPKNKT-GFCCVEGCSA-N 2 0 297.366 0.079 20 30 CCEDRP N#Cc1c2c(cnc1-n1nncc1C[NH3+])C[NH2+]CCC2 ZINC001158420761 801640711 /nfs/dbraw/zinc/64/07/11/801640711.db2.gz ZCSLVNLZVYLMJZ-UHFFFAOYSA-N 2 0 269.312 0.028 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159149071 801765642 /nfs/dbraw/zinc/76/56/42/801765642.db2.gz SOSXGDDTXGZHBU-ZDUSSCGKSA-N 2 0 271.380 0.786 20 30 CCEDRP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159629583 801839614 /nfs/dbraw/zinc/83/96/14/801839614.db2.gz ZQWZUTIBNRTZGB-HNNXBMFYSA-N 2 0 275.396 0.852 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997786 801897003 /nfs/dbraw/zinc/89/70/03/801897003.db2.gz YFEVBCDNNJBULQ-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP N#Cc1c2c(cnc1-n1cc(C[NH3+])cnc1=N)C[NH2+]CCC2 ZINC001161414569 802147739 /nfs/dbraw/zinc/14/77/39/802147739.db2.gz BTWUIBFNKHCHEZ-UHFFFAOYSA-N 2 0 295.350 0.113 20 30 CCEDRP N#Cc1c2c(cnc1N1C[C@@H]([NH3+])[C@@H](F)C1)C[NH2+]CCC2 ZINC001166927862 802978677 /nfs/dbraw/zinc/97/86/77/802978677.db2.gz IDIXYNXEYROGFJ-QWHCGFSZSA-N 2 0 275.331 0.474 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979498 803005549 /nfs/dbraw/zinc/00/55/49/803005549.db2.gz XRNQCYVBUVAPLK-UHFFFAOYSA-N 2 0 277.412 0.838 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203616090 803037611 /nfs/dbraw/zinc/03/76/11/803037611.db2.gz VFFCUYRLFKLBLM-UONOGXRCSA-N 2 0 295.427 0.768 20 30 CCEDRP N#Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])c1 ZINC001205241553 803128944 /nfs/dbraw/zinc/12/89/44/803128944.db2.gz SSZFMSVPBGNJRO-HNNXBMFYSA-N 2 0 275.352 0.940 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211054077 803666444 /nfs/dbraw/zinc/66/64/44/803666444.db2.gz HTMLCMUYQZHUNG-RBSFLKMASA-N 2 0 295.427 0.577 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414323 803806032 /nfs/dbraw/zinc/80/60/32/803806032.db2.gz TXMAIDHZNHPXKF-CHWSQXEVSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215541251 803818348 /nfs/dbraw/zinc/81/83/48/803818348.db2.gz WNLYVGVANUBWON-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216226370 803836386 /nfs/dbraw/zinc/83/63/86/803836386.db2.gz UIIUAGVRSAMLRZ-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP N#Cc1cccc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)n1 ZINC001218588625 804024749 /nfs/dbraw/zinc/02/47/49/804024749.db2.gz ZTOOVCMYZNYXBV-GFCCVEGCSA-N 2 0 259.313 0.219 20 30 CCEDRP N#CCc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccc1F ZINC001219518271 804333808 /nfs/dbraw/zinc/33/38/08/804333808.db2.gz DKXHVWYKKNTBJA-LBPRGKRZSA-N 2 0 296.371 0.849 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219830247 804429174 /nfs/dbraw/zinc/42/91/74/804429174.db2.gz SUMHOIGHBRKCTJ-KFWWJZLASA-N 2 0 295.427 0.598 20 30 CCEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220596732 804635050 /nfs/dbraw/zinc/63/50/50/804635050.db2.gz GYDBQYTWROCYDY-UONOGXRCSA-N 2 0 272.352 0.728 20 30 CCEDRP N#Cc1ccccc1OCCCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220685223 804650825 /nfs/dbraw/zinc/65/08/25/804650825.db2.gz SIIPJNKGPYLACQ-CYBMUJFWSA-N 2 0 290.367 0.510 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H](C)CC(C)(C)CC[NH3+] ZINC001220765727 804662386 /nfs/dbraw/zinc/66/23/86/804662386.db2.gz DLYBNKCTSGHJHU-RISCZKNCSA-N 2 0 253.390 0.854 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220868430 804684480 /nfs/dbraw/zinc/68/44/80/804684480.db2.gz JFMKHSWRXOJQKS-UONOGXRCSA-N 2 0 280.416 0.080 20 30 CCEDRP C#CCCC1(CCNC(=O)[C@H]([NH3+])CCC[NH3+])N=N1 ZINC001221409417 804810554 /nfs/dbraw/zinc/81/05/54/804810554.db2.gz NGQDBTJMKADICC-SNVBAGLBSA-N 2 0 251.334 0.134 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225167868 805111916 /nfs/dbraw/zinc/11/19/16/805111916.db2.gz DNQQFYJNINWANI-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP CC[NH+](CC)C[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001225320737 805121788 /nfs/dbraw/zinc/12/17/88/805121788.db2.gz KMJGPVQTBZGSTB-ZDUSSCGKSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904469 805488391 /nfs/dbraw/zinc/48/83/91/805488391.db2.gz HZBXCHFMKZLTHW-UHFFFAOYSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001277423473 805559785 /nfs/dbraw/zinc/55/97/85/805559785.db2.gz QAAYVZQLKKVTOJ-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001278437566 807195698 /nfs/dbraw/zinc/19/56/98/807195698.db2.gz FTLIIYKOKMDAEO-GOEBONIOSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)ccc1F ZINC001246270834 807204244 /nfs/dbraw/zinc/20/42/44/807204244.db2.gz NJONZZZNCXKIKT-ZDUSSCGKSA-N 2 0 274.343 0.881 20 30 CCEDRP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278582631 807605193 /nfs/dbraw/zinc/60/51/93/807605193.db2.gz NJSGOHDOORWPQI-GOEBONIOSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278614497 807622856 /nfs/dbraw/zinc/62/28/56/807622856.db2.gz XTRSKTYRXFHWLR-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[NH+](CC)CC[C@H](C)NC(=O)NCC#CC[NH+](C)C ZINC001251665560 807692852 /nfs/dbraw/zinc/69/28/52/807692852.db2.gz QPPHVRNQNROWQI-AWEZNQCLSA-N 2 0 282.432 0.971 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001251891207 807737478 /nfs/dbraw/zinc/73/74/78/807737478.db2.gz OHLOQBUWWJHOEH-KRWDZBQOSA-N 2 0 290.407 0.891 20 30 CCEDRP C=CCOC[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001252470327 807881187 /nfs/dbraw/zinc/88/11/87/807881187.db2.gz JVEXWPABDKHLNJ-CYBMUJFWSA-N 2 0 254.374 0.578 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252603334 807918653 /nfs/dbraw/zinc/91/86/53/807918653.db2.gz SXSNXRIDDFUIBZ-AWEZNQCLSA-N 2 0 283.416 0.409 20 30 CCEDRP C=CCCN1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278919787 808474361 /nfs/dbraw/zinc/47/43/61/808474361.db2.gz YZNPDJFLLLDNRP-UHFFFAOYSA-N 2 0 295.427 0.457 20 30 CCEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+]1CCN(C)CC1 ZINC001261458524 808983526 /nfs/dbraw/zinc/98/35/26/808983526.db2.gz BRDHCTTWKXCYSV-KBPBESRZSA-N 2 0 295.431 0.007 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001261527082 809009572 /nfs/dbraw/zinc/00/95/72/809009572.db2.gz FYYVZDPYOFYJGN-ZDUSSCGKSA-N 2 0 268.405 0.032 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001261552565 809018435 /nfs/dbraw/zinc/01/84/35/809018435.db2.gz VTHSSOQLXSWYKA-SDDRHHMPSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CCNCC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC001263101230 809442631 /nfs/dbraw/zinc/44/26/31/809442631.db2.gz MHPIOPHBQSKTRG-CYBMUJFWSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264077092 809628303 /nfs/dbraw/zinc/62/83/03/809628303.db2.gz SPIOWFWFQZCELE-LSDHHAIUSA-N 2 0 295.427 0.245 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264402134 809651589 /nfs/dbraw/zinc/65/15/89/809651589.db2.gz RCTLZDGPYYCUAO-OKILXGFUSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264650284 809668086 /nfs/dbraw/zinc/66/80/86/809668086.db2.gz LBPZZEGUDGRIIL-KGLIPLIRSA-N 2 0 263.385 0.352 20 30 CCEDRP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001265254282 809732590 /nfs/dbraw/zinc/73/25/90/809732590.db2.gz FVJIEZYIRVUUGW-OAHLLOKOSA-N 2 0 294.443 0.248 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001265358325 809764221 /nfs/dbraw/zinc/76/42/21/809764221.db2.gz GULFCRRXWLXXKO-HNNXBMFYSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265481450 809788681 /nfs/dbraw/zinc/78/86/81/809788681.db2.gz JYFNQPYTYLRWTB-JOCQHMNTSA-N 2 0 263.385 0.731 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001265845519 809874115 /nfs/dbraw/zinc/87/41/15/809874115.db2.gz ATJHSJZPGRXSHE-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266005145 809916462 /nfs/dbraw/zinc/91/64/62/809916462.db2.gz RZUJDLIMRJJORY-QWHCGFSZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267307233 811127811 /nfs/dbraw/zinc/12/78/11/811127811.db2.gz OMRSXASEWWSOED-ZIAGYGMSSA-N 2 0 265.401 0.644 20 30 CCEDRP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864329 811843713 /nfs/dbraw/zinc/84/37/13/811843713.db2.gz BJSCJULGZVXZCF-XJKSGUPXSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001267964259 811900421 /nfs/dbraw/zinc/90/04/21/811900421.db2.gz MAPMOTGUKJPPIL-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267970387 811905590 /nfs/dbraw/zinc/90/55/90/811905590.db2.gz PZCSWVTWESESQU-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000709482046 811907620 /nfs/dbraw/zinc/90/76/20/811907620.db2.gz LIXYGVOPRSXGTR-AVGNSLFASA-N 2 0 264.373 0.751 20 30 CCEDRP C[NH+](C)CC1(O)CC[NH+](CCOCCC#N)CC1 ZINC000710561449 819808902 /nfs/dbraw/zinc/80/89/02/819808902.db2.gz JFSXSUWFJONLCM-UHFFFAOYSA-N 2 0 255.362 0.305 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001279294507 812368418 /nfs/dbraw/zinc/36/84/18/812368418.db2.gz HMGPSHVBCPIQGA-UHFFFAOYSA-N 2 0 260.341 0.555 20 30 CCEDRP COc1nc(C)nc(NC(=N)NCCCC[NH3+])c1C#N ZINC001167877527 812373987 /nfs/dbraw/zinc/37/39/87/812373987.db2.gz FEIZZZZKZMHXEC-UHFFFAOYSA-N 2 0 277.332 0.340 20 30 CCEDRP C=CC[NH2+][C@@H](CNC(=O)Cn1ccnc1)C(C)C ZINC001268226974 812384439 /nfs/dbraw/zinc/38/44/39/812384439.db2.gz GEATWOXVXJKSKR-LBPRGKRZSA-N 2 0 250.346 0.800 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001279308087 812448936 /nfs/dbraw/zinc/44/89/36/812448936.db2.gz QSUXBBAAPPJDCM-WLYUNCDWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001028550487 812831469 /nfs/dbraw/zinc/83/14/69/812831469.db2.gz PUMOQYVYUGXABN-HZSPNIEDSA-N 2 0 263.385 0.398 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)CC[N@@H+](C)CC ZINC001268613080 812947619 /nfs/dbraw/zinc/94/76/19/812947619.db2.gz YLNSVIMKZLRMJI-BQYQJAHWSA-N 2 0 251.374 0.614 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636181 813072381 /nfs/dbraw/zinc/07/23/81/813072381.db2.gz LLTDIFIDIWKSPD-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001028636848 813074725 /nfs/dbraw/zinc/07/47/25/813074725.db2.gz ROULNWRYDGAQIG-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268822139 813102375 /nfs/dbraw/zinc/10/23/75/813102375.db2.gz KVSWDSAKECBSJI-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001269429036 813367710 /nfs/dbraw/zinc/36/77/10/813367710.db2.gz YCNUODRJNJGNRR-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CC[NH2+]CC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001269588713 813436096 /nfs/dbraw/zinc/43/60/96/813436096.db2.gz UIGYFGOLKKRLTN-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271146943 814208586 /nfs/dbraw/zinc/20/85/86/814208586.db2.gz YVTIRBADVSDSTA-FMKPAKJESA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828326 814226993 /nfs/dbraw/zinc/22/69/93/814226993.db2.gz IEMSCFNUUKBZFL-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271185131 814327729 /nfs/dbraw/zinc/32/77/29/814327729.db2.gz SVWGNPZEIGQPAE-GDBMZVCRSA-N 2 0 297.443 0.702 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878644 816972426 /nfs/dbraw/zinc/97/24/26/816972426.db2.gz VCYTXJPVPRSUBC-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001031765330 817348283 /nfs/dbraw/zinc/34/82/83/817348283.db2.gz VVRFSQBASMBMQK-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001033788860 818936666 /nfs/dbraw/zinc/93/66/66/818936666.db2.gz KPENPZMAYOWZRV-CABCVRRESA-N 2 0 293.411 0.263 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831713 818962343 /nfs/dbraw/zinc/96/23/43/818962343.db2.gz XJLHPEJLWKDIOQ-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525238 819228438 /nfs/dbraw/zinc/22/84/38/819228438.db2.gz KPMORJYWQRQCEL-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC#CCOC ZINC001168756071 819287598 /nfs/dbraw/zinc/28/75/98/819287598.db2.gz UPLQRBGGMCWJPS-UHFFFAOYSA-N 2 0 269.389 0.074 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080442535 820577722 /nfs/dbraw/zinc/57/77/22/820577722.db2.gz DMLYPABDNXRBPT-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1C ZINC001279160273 821156528 /nfs/dbraw/zinc/15/65/28/821156528.db2.gz BWHYNNBGJVBKIT-GJZGRUSLSA-N 2 0 293.411 0.026 20 30 CCEDRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC001119595727 821384312 /nfs/dbraw/zinc/38/43/12/821384312.db2.gz DUDLCQWPURREQG-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365391 821978541 /nfs/dbraw/zinc/97/85/41/821978541.db2.gz GVKUMVQXAGLRDO-AWEZNQCLSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086271538 822182878 /nfs/dbraw/zinc/18/28/78/822182878.db2.gz CKCDPCNVUHUILR-UPJWGTAASA-N 2 0 251.374 0.609 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001129421654 837503455 /nfs/dbraw/zinc/50/34/55/837503455.db2.gz BANGMVNBHBFHIY-CQSZACIVSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188243 837717580 /nfs/dbraw/zinc/71/75/80/837717580.db2.gz BUUFMCRBVFZMRB-CABCVRRESA-N 2 0 295.427 0.912 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450531 844022346 /nfs/dbraw/zinc/02/23/46/844022346.db2.gz TXKQHNSYNBGWOG-KGLIPLIRSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001183764975 844085112 /nfs/dbraw/zinc/08/51/12/844085112.db2.gz LGQLJPSFMCHNFN-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362682 836523411 /nfs/dbraw/zinc/52/34/11/836523411.db2.gz BPXZMOOLJNLIJV-OAHLLOKOSA-N 2 0 295.427 0.912 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+](CC)CC)C2 ZINC001108783887 836527837 /nfs/dbraw/zinc/52/78/37/836527837.db2.gz GATHLLALPBVYFH-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790410 838218294 /nfs/dbraw/zinc/21/82/94/838218294.db2.gz MYKHFWJFAKYMFB-CQSZACIVSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132277410 838352431 /nfs/dbraw/zinc/35/24/31/838352431.db2.gz GWGCPNCBPWRAHP-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132424313 838388773 /nfs/dbraw/zinc/38/87/73/838388773.db2.gz FBHFWEYAOPNXFG-KBPBESRZSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132436606 838398913 /nfs/dbraw/zinc/39/89/13/838398913.db2.gz MXYRJGRSELONHQ-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132436605 838399095 /nfs/dbraw/zinc/39/90/95/838399095.db2.gz MXYRJGRSELONHQ-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132738063 838481340 /nfs/dbraw/zinc/48/13/40/838481340.db2.gz VATXHLQZWPYGAQ-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001133246386 838583097 /nfs/dbraw/zinc/58/30/97/838583097.db2.gz VUCZYAIZRHDUDN-CABCVRRESA-N 2 0 289.423 0.790 20 30 CCEDRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135979179 839487063 /nfs/dbraw/zinc/48/70/63/839487063.db2.gz DAHXSYSEJNNUPR-CABCVRRESA-N 2 0 297.443 0.851 20 30 CCEDRP COc1cc(C#N)cc(N[C@@H]([NH3+])CCC[NH3+])c1OC(C)=O ZINC001170899383 839548252 /nfs/dbraw/zinc/54/82/52/839548252.db2.gz JTNWLPJJAUAKRA-CYBMUJFWSA-N 2 0 292.339 0.928 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cncc(C#N)c1 ZINC001144079679 839931725 /nfs/dbraw/zinc/93/17/25/839931725.db2.gz BLCAXQIDVRSFQF-UHFFFAOYSA-N 2 0 275.400 0.878 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171228148 840156948 /nfs/dbraw/zinc/15/69/48/840156948.db2.gz SJYDCLXAHWJALB-CYBMUJFWSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879752 840324939 /nfs/dbraw/zinc/32/49/39/840324939.db2.gz OYOCCXMHKAKXAC-CABCVRRESA-N 2 0 293.411 0.045 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCO)CC1 ZINC001146610586 840333341 /nfs/dbraw/zinc/33/33/41/840333341.db2.gz KKPBUFJKZWOZMK-ZIAGYGMSSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148469638 840809937 /nfs/dbraw/zinc/80/99/37/840809937.db2.gz PNVNCRDBHFKLPB-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092509554 841030686 /nfs/dbraw/zinc/03/06/86/841030686.db2.gz DFTNASBKQQRJNE-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176166608 842333028 /nfs/dbraw/zinc/33/30/28/842333028.db2.gz SUBXMXZIVUZQGK-AWEZNQCLSA-N 2 0 283.416 0.462 20 30 CCEDRP C=C(C)CN1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177079425 842502645 /nfs/dbraw/zinc/50/26/45/842502645.db2.gz CNBYMCLHDCEIIJ-GJZGRUSLSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430895 842997661 /nfs/dbraw/zinc/99/76/61/842997661.db2.gz IHWGIWBRPPEKQK-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001182964234 843941528 /nfs/dbraw/zinc/94/15/28/843941528.db2.gz JYIDINQUCJYUKW-ZIAGYGMSSA-N 2 0 283.391 0.880 20 30 CCEDRP C=C(C[NH+]1CCCC1)C(=O)n1cc(C[NH3+])cnc1=N ZINC001183085789 843962014 /nfs/dbraw/zinc/96/20/14/843962014.db2.gz IVPULFUTTYCAHX-UHFFFAOYSA-N 2 0 261.329 0.113 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106424 844646161 /nfs/dbraw/zinc/64/61/61/844646161.db2.gz GVMRTBOCWMOALS-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187852027 844782057 /nfs/dbraw/zinc/78/20/57/844782057.db2.gz ZMTKAVSOVHRINR-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158227 844849705 /nfs/dbraw/zinc/84/97/05/844849705.db2.gz ILUCUOBLOHBGOX-CYBMUJFWSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189400932 845131261 /nfs/dbraw/zinc/13/12/61/845131261.db2.gz QONNSNJGQRZZCM-UONOGXRCSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189652721 845191008 /nfs/dbraw/zinc/19/10/08/845191008.db2.gz LGANNEMMVSNCLG-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487787 846091990 /nfs/dbraw/zinc/09/19/90/846091990.db2.gz FRAXDMQVDURKSN-CQSZACIVSA-N 2 0 281.400 0.121 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791335 846153550 /nfs/dbraw/zinc/15/35/50/846153550.db2.gz JQURJRMEKAAAQP-MCIONIFRSA-N 2 0 281.400 0.064 20 30 CCEDRP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002767 846196200 /nfs/dbraw/zinc/19/62/00/846196200.db2.gz YUELTDQJPBZHKI-GJZGRUSLSA-N 2 0 293.411 0.121 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677884 846596437 /nfs/dbraw/zinc/59/64/37/846596437.db2.gz WINUDRBIVIPVNS-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198028773 847032881 /nfs/dbraw/zinc/03/28/81/847032881.db2.gz IOAODXCLWIHCBH-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111808 847233013 /nfs/dbraw/zinc/23/30/13/847233013.db2.gz NAJTZVADJWFSBY-RBSFLKMASA-N 2 0 297.443 0.843 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200122092 847552898 /nfs/dbraw/zinc/55/28/98/847552898.db2.gz BFLWFEMVNQBUSY-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200536267 847646374 /nfs/dbraw/zinc/64/63/74/847646374.db2.gz CEZZBMBTPIFHDG-QLFBSQMISA-N 2 0 293.411 0.167 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201333886 847770908 /nfs/dbraw/zinc/77/09/08/847770908.db2.gz FHYLGMAIBGHSSK-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001274105174 848349974 /nfs/dbraw/zinc/34/99/74/848349974.db2.gz HEFBKANZQJNDJN-WSNITJDQSA-N 2 0 263.385 0.756 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001274290028 848440879 /nfs/dbraw/zinc/44/08/79/848440879.db2.gz SBNSJSSIBWEPTC-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001274296725 848442785 /nfs/dbraw/zinc/44/27/85/848442785.db2.gz FUWHMPWRTDSEKD-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]C1(C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001274367864 848460541 /nfs/dbraw/zinc/46/05/41/848460541.db2.gz AYBIYYSCXGRMEC-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C[NH+](C)CCN1CC2(C1)CN(Cc1ccc(C#N)nc1)C2 ZINC001275295704 848687856 /nfs/dbraw/zinc/68/78/56/848687856.db2.gz JYGYJXREVQBDMS-UHFFFAOYSA-N 2 0 285.395 0.632 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750142 849386117 /nfs/dbraw/zinc/38/61/17/849386117.db2.gz BVLZNGNFRKGYAD-NHAGDIPZSA-N 2 0 263.385 0.398 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccnn1C ZINC000305870736 849520470 /nfs/dbraw/zinc/52/04/70/849520470.db2.gz VBDWERPYGCDVGD-CYBMUJFWSA-N 2 0 278.404 0.351 20 30 CCEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038628589 849723007 /nfs/dbraw/zinc/72/30/07/849723007.db2.gz RMRPPWZZZOODCI-GJZGRUSLSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040937238 850329421 /nfs/dbraw/zinc/32/94/21/850329421.db2.gz VOXJVNPMLZVPNW-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047597603 851831524 /nfs/dbraw/zinc/83/15/24/851831524.db2.gz AKIXLXIMJQTRNH-ILXRZTDVSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049646044 852332120 /nfs/dbraw/zinc/33/21/20/852332120.db2.gz OXMQSTRJAKQSBK-QLFBSQMISA-N 2 0 275.396 0.779 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001097852014 852630708 /nfs/dbraw/zinc/63/07/08/852630708.db2.gz QOQLCQYXJYWCHN-YJNKXOJESA-N 2 0 275.396 0.683 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072554042 854415938 /nfs/dbraw/zinc/41/59/38/854415938.db2.gz MZMQSFHMCRZMLP-CQSZACIVSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896289 854488843 /nfs/dbraw/zinc/48/88/43/854488843.db2.gz GDWMJBTXRXWNAW-UHFFFAOYSA-N 2 0 287.407 0.782 20 30 CCEDRP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073426187 854558768 /nfs/dbraw/zinc/55/87/68/854558768.db2.gz TYDQMKOUNZBCCC-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073554566 854593293 /nfs/dbraw/zinc/59/32/93/854593293.db2.gz JAGDVIQIZJHYEX-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1C ZINC001074663521 854762701 /nfs/dbraw/zinc/76/27/01/854762701.db2.gz ZIHRHLVLRZWOPL-ZQDZILKHSA-N 2 0 277.412 0.929 20 30 CCEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098479809 854867185 /nfs/dbraw/zinc/86/71/85/854867185.db2.gz AHWBOQHDTAZVJQ-HNNXBMFYSA-N 2 0 295.427 0.245 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099121284 854916623 /nfs/dbraw/zinc/91/66/23/854916623.db2.gz UWCVXNIJQGYKAH-YOEHRIQHSA-N 2 0 287.407 0.686 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048169 855084535 /nfs/dbraw/zinc/08/45/35/855084535.db2.gz GYBDKSNMKFKQGV-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064703 855091112 /nfs/dbraw/zinc/09/11/12/855091112.db2.gz QCTYMBWFJILXGL-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132194 855104806 /nfs/dbraw/zinc/10/48/06/855104806.db2.gz POJNWSNNBGQTFD-ZIAGYGMSSA-N 2 0 283.416 0.454 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980892 855251786 /nfs/dbraw/zinc/25/17/86/855251786.db2.gz LDYNYQVPGDEWCW-ROKHWSDSSA-N 2 0 263.385 0.446 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985917 855252502 /nfs/dbraw/zinc/25/25/02/855252502.db2.gz JBYXLCTXRQGORL-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001100986322 855252626 /nfs/dbraw/zinc/25/26/26/855252626.db2.gz QNOQXANCLZIWRJ-WLYUNCDWSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001103677011 855525064 /nfs/dbraw/zinc/52/50/64/855525064.db2.gz FSFAXYIZYOBCDT-TZMCWYRMSA-N 2 0 288.395 0.968 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001325017631 913152571 /nfs/dbraw/zinc/15/25/71/913152571.db2.gz KEQNTJSQSZDRRH-CQSZACIVSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001325162354 913250240 /nfs/dbraw/zinc/25/02/40/913250240.db2.gz SWPCLLAZLXTADC-MRXNPFEDSA-N 2 0 295.427 0.601 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481492685 892741136 /nfs/dbraw/zinc/74/11/36/892741136.db2.gz XKBYOUXTSJLOQB-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CCC[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481646796 892960303 /nfs/dbraw/zinc/96/03/03/892960303.db2.gz PKYZCEVORBZYLY-ZDUSSCGKSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481655193 892973436 /nfs/dbraw/zinc/97/34/36/892973436.db2.gz SJPHTYCEQMNXFD-LBPRGKRZSA-N 2 0 251.374 0.562 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001481810332 893176601 /nfs/dbraw/zinc/17/66/01/893176601.db2.gz FXCQXYKRESNASL-KBPBESRZSA-N 2 0 265.401 0.977 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482269200 893719856 /nfs/dbraw/zinc/71/98/56/893719856.db2.gz LTAHVBFGFOEDHI-NWDGAFQWSA-N 2 0 289.807 0.506 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482284357 893771129 /nfs/dbraw/zinc/77/11/29/893771129.db2.gz WUVHRWFOMNRGAI-UKRRQHHQSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001482697953 894493654 /nfs/dbraw/zinc/49/36/54/894493654.db2.gz NFRZLHZFDDXPJI-CABCVRRESA-N 2 0 277.412 0.980 20 30 CCEDRP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CN(C)CCO1 ZINC001482916725 894684218 /nfs/dbraw/zinc/68/42/18/894684218.db2.gz YQLBVZUWZUROOE-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001483045039 894841634 /nfs/dbraw/zinc/84/16/34/894841634.db2.gz UJBRYYNIMFSPTA-CFHLNLSMSA-N 2 0 251.374 0.919 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCOCC1 ZINC001484190443 896226611 /nfs/dbraw/zinc/22/66/11/896226611.db2.gz PPJJZTNYCZEEQI-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP CC[C@@H](C(=O)NCC[NH+]1CCC(NCC#N)CC1)[NH+](C)C ZINC001484423779 896388279 /nfs/dbraw/zinc/38/82/79/896388279.db2.gz UGRXYMRKQNZPSP-AWEZNQCLSA-N 2 0 295.431 0.020 20 30 CCEDRP CC[C@H](C(=O)NCC[NH+]1CCC(NCC#N)CC1)[NH+](C)C ZINC001484423787 896390007 /nfs/dbraw/zinc/39/00/07/896390007.db2.gz UGRXYMRKQNZPSP-CQSZACIVSA-N 2 0 295.431 0.020 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001484485978 896442129 /nfs/dbraw/zinc/44/21/29/896442129.db2.gz DBOCMUNPIOPGNY-HNNXBMFYSA-N 2 0 295.427 0.151 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001484897348 896657248 /nfs/dbraw/zinc/65/72/48/896657248.db2.gz KEWAVNDYKFGSER-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CCC[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484898957 896659233 /nfs/dbraw/zinc/65/92/33/896659233.db2.gz CWXXYNLXDJTOGY-STQMWFEESA-N 2 0 253.390 0.951 20 30 CCEDRP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001485715878 897198254 /nfs/dbraw/zinc/19/82/54/897198254.db2.gz IPFGVVKRAQSAGV-KBPBESRZSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485802729 897254092 /nfs/dbraw/zinc/25/40/92/897254092.db2.gz BCZBENMYFOCIQP-GJZGRUSLSA-N 2 0 277.412 0.931 20 30 CCEDRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001326784248 914169099 /nfs/dbraw/zinc/16/90/99/914169099.db2.gz NVGXZYYNRZJGGM-GFCCVEGCSA-N 2 0 252.362 0.608 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781201 898177963 /nfs/dbraw/zinc/17/79/63/898177963.db2.gz NKZYZEWADPHSHK-IHRRRGAJSA-N 2 0 263.385 0.799 20 30 CCEDRP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189390121 900010784 /nfs/dbraw/zinc/01/07/84/900010784.db2.gz NHHRDIOFEBPRPG-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197001087 900059947 /nfs/dbraw/zinc/05/99/47/900059947.db2.gz SFWYVQUUAJDQJG-HUUCEWRRSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001490495104 900640245 /nfs/dbraw/zinc/64/02/45/900640245.db2.gz SPMJTNUUNKIDHS-OAHLLOKOSA-N 2 0 296.459 0.637 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001490560794 900668524 /nfs/dbraw/zinc/66/85/24/900668524.db2.gz UIIYCLMHYBIFQB-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001490729447 900706241 /nfs/dbraw/zinc/70/62/41/900706241.db2.gz TWIDPDVEOLFBBD-KGLIPLIRSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001327082346 902027474 /nfs/dbraw/zinc/02/74/74/902027474.db2.gz RWZWJTMNXFTCHZ-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952627 903846261 /nfs/dbraw/zinc/84/62/61/903846261.db2.gz FDTSOWBBQHYJGA-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001283556316 904906610 /nfs/dbraw/zinc/90/66/10/904906610.db2.gz HSEZGVSQGBOEDJ-AWEZNQCLSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001283816369 905032795 /nfs/dbraw/zinc/03/27/95/905032795.db2.gz PILSCUOTCIUMQR-AWEZNQCLSA-N 2 0 283.416 0.361 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283813694 905033644 /nfs/dbraw/zinc/03/36/44/905033644.db2.gz PUFUHJYLGRKZMV-GJZGRUSLSA-N 2 0 297.443 0.894 20 30 CCEDRP COCC#CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959732 905513042 /nfs/dbraw/zinc/51/30/42/905513042.db2.gz NODSSZSRVRUWSY-UHFFFAOYSA-N 2 0 293.411 0.336 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC001295283990 906706014 /nfs/dbraw/zinc/70/60/14/906706014.db2.gz NIJOXNTUJCLLJE-RRFJBIMHSA-N 2 0 295.427 0.814 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001491617873 907451132 /nfs/dbraw/zinc/45/11/32/907451132.db2.gz LPCXKVJGAHEQPP-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491857151 907608526 /nfs/dbraw/zinc/60/85/26/907608526.db2.gz QJTSTGIQEGCJEK-LSDHHAIUSA-N 2 0 295.427 0.579 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001336877199 908014256 /nfs/dbraw/zinc/01/42/56/908014256.db2.gz OIAXCJLKEJWKFB-CQSZACIVSA-N 2 0 280.416 0.773 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317405343 909179835 /nfs/dbraw/zinc/17/98/35/909179835.db2.gz IZSVNDDEKYIOCM-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CC[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317405938 909183147 /nfs/dbraw/zinc/18/31/47/909183147.db2.gz NHWJBETWFBIZRY-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317459335 909240011 /nfs/dbraw/zinc/24/00/11/909240011.db2.gz NHYJQIWTHHMNGT-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP CC[C@@H](C(=O)NCC[N@H+](CC)CC#CCOC)[NH+](C)C ZINC001317490983 909264456 /nfs/dbraw/zinc/26/44/56/909264456.db2.gz NKODVVSHCHMKJG-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CCN1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318482614 909773927 /nfs/dbraw/zinc/77/39/27/909773927.db2.gz KOVJHRGYWZTGDG-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001318560772 909816475 /nfs/dbraw/zinc/81/64/75/909816475.db2.gz DJVKFXBVARAHTB-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001319132573 909997550 /nfs/dbraw/zinc/99/75/50/909997550.db2.gz QMMINPFGARTXCZ-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862847 910324998 /nfs/dbraw/zinc/32/49/98/910324998.db2.gz HQBUMBXQUOTGTQ-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001320008402 910413103 /nfs/dbraw/zinc/41/31/03/910413103.db2.gz IQCPADQQOAYBPZ-UHFFFAOYSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001320019835 910416116 /nfs/dbraw/zinc/41/61/16/910416116.db2.gz DPVRPGCJAVGDGO-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC)CC1 ZINC001320930184 910942750 /nfs/dbraw/zinc/94/27/50/910942750.db2.gz VVXPVMNNFVXNJR-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001321308701 911224957 /nfs/dbraw/zinc/22/49/57/911224957.db2.gz XRCNUWWHUKPCLS-AATRIKPKSA-N 2 0 293.411 0.383 20 30 CCEDRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1C ZINC001328581066 915285737 /nfs/dbraw/zinc/28/57/37/915285737.db2.gz GIDKGLNQOFYDPF-JHJVBQTASA-N 2 0 266.389 0.949 20 30 CCEDRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC001330593198 916724807 /nfs/dbraw/zinc/72/48/07/916724807.db2.gz ZLTVVULUKMASQD-LSDHHAIUSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001330708552 916805760 /nfs/dbraw/zinc/80/57/60/916805760.db2.gz OJQFPAAMFUQWOM-JOCQHMNTSA-N 2 0 251.374 0.444 20 30 CCEDRP CC1(C)[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]2CCC[NH2+][C@H]21 ZINC001330911640 916965645 /nfs/dbraw/zinc/96/56/45/916965645.db2.gz UNKPGVQVNTVLTK-NUEKZKHPSA-N 2 0 289.423 0.882 20 30 CCEDRP C[NH2+][C@@H](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331322566 917263114 /nfs/dbraw/zinc/26/31/14/917263114.db2.gz PYASKTZMGBLHFK-WDBLDGLGSA-N 2 0 264.373 0.240 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331560401 917415821 /nfs/dbraw/zinc/41/58/21/917415821.db2.gz KQVBFPWKARRNDK-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001331941907 917739053 /nfs/dbraw/zinc/73/90/53/917739053.db2.gz ZRLMDFMPWYRJOJ-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001332536958 918267002 /nfs/dbraw/zinc/26/70/02/918267002.db2.gz PJLPIXZPKMHWOB-HUUCEWRRSA-N 2 0 297.443 0.702 20 30 CCEDRP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001332633733 918331303 /nfs/dbraw/zinc/33/13/03/918331303.db2.gz SRJQODIRRQSFLW-RBSFLKMASA-N 2 0 297.443 0.654 20 30 CCEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001332648361 918352589 /nfs/dbraw/zinc/35/25/89/918352589.db2.gz ONWURDMVRPUPMU-CHWSQXEVSA-N 2 0 269.389 0.018 20 30 CCEDRP C#CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCOC ZINC001332914602 918526917 /nfs/dbraw/zinc/52/69/17/918526917.db2.gz XKJKGKORQPTEPZ-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001333075932 918638405 /nfs/dbraw/zinc/63/84/05/918638405.db2.gz RUEOKUXSLYSUAU-UHFFFAOYSA-N 2 0 263.385 0.683 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001335413890 920179910 /nfs/dbraw/zinc/17/99/10/920179910.db2.gz SAVMDHMESOEHQM-LBPRGKRZSA-N 2 0 266.389 0.770 20 30 CCEDRP CC(C)C[C@](C)(C[NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001340908220 922271750 /nfs/dbraw/zinc/27/17/50/922271750.db2.gz RGWDVBDQCNVGSY-NQBHXWOUSA-N 2 0 252.362 0.225 20 30 CCEDRP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001341590753 922571886 /nfs/dbraw/zinc/57/18/86/922571886.db2.gz HVBFPZTZGAUSDT-HIFRSBDPSA-N 2 0 261.369 0.329 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001341731143 922646811 /nfs/dbraw/zinc/64/68/11/922646811.db2.gz BYKRASHERSKHDP-STQMWFEESA-N 2 0 268.405 0.032 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001343507985 923353945 /nfs/dbraw/zinc/35/39/45/923353945.db2.gz IYNLFNRDOHZZPC-UONOGXRCSA-N 2 0 280.416 0.176 20 30 CCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479680359 923397084 /nfs/dbraw/zinc/39/70/84/923397084.db2.gz SUFCVSYVNRZNFQ-HNNXBMFYSA-N 2 0 295.427 0.368 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001343712511 923438393 /nfs/dbraw/zinc/43/83/93/923438393.db2.gz BZYPQRTZSIXRLI-RYUDHWBXSA-N 2 0 271.430 0.881 20 30 CCEDRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC001344641930 923659091 /nfs/dbraw/zinc/65/90/91/923659091.db2.gz PFNDKSPZAVHEOW-UPJWGTAASA-N 2 0 266.389 0.759 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC001354041139 925993210 /nfs/dbraw/zinc/99/32/10/925993210.db2.gz JXODXNMWVWAXCG-QWHCGFSZSA-N 2 0 251.374 0.657 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001357660131 926579783 /nfs/dbraw/zinc/57/97/83/926579783.db2.gz MCSNMFMAVLZFLR-NWDGAFQWSA-N 2 0 284.429 0.609 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1O)[C@@H]1CCC[C@@H]1O ZINC000352666963 529823237 /nfs/dbraw/zinc/82/32/37/529823237.db2.gz IQSPPCXKVPKATN-WCVJEAGWSA-N 2 0 280.412 0.680 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601550672 362308646 /nfs/dbraw/zinc/30/86/46/362308646.db2.gz DFNXMQDCMHRBNT-MELADBBJSA-N 2 0 278.400 0.998 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135134638 350385857 /nfs/dbraw/zinc/38/58/57/350385857.db2.gz KJCZCQJGZGRTCW-UHFFFAOYSA-N 2 0 262.357 0.878 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nc(C#N)cs1 ZINC000589518356 359389416 /nfs/dbraw/zinc/38/94/16/359389416.db2.gz JBVODIIFBRPIPX-UHFFFAOYSA-N 2 0 281.429 0.940 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000591726614 359648953 /nfs/dbraw/zinc/64/89/53/359648953.db2.gz WDLKNHBZXUYWJP-RRFJBIMHSA-N 2 0 280.416 0.409 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437652 360306120 /nfs/dbraw/zinc/30/61/20/360306120.db2.gz WVQOJDCVVJOLNJ-VXGBXAGGSA-N 2 0 266.389 0.902 20 30 CCEDRP C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439616 360308507 /nfs/dbraw/zinc/30/85/07/360308507.db2.gz SQUODGMOPFHRRE-GFCCVEGCSA-N 2 0 252.362 0.562 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000594441052 360310547 /nfs/dbraw/zinc/31/05/47/360310547.db2.gz LRMBUICPIRURHX-CYBMUJFWSA-N 2 0 266.389 1.000 20 30 CCEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598720392 361495927 /nfs/dbraw/zinc/49/59/27/361495927.db2.gz OUJZUQFCJOTQHJ-CQSZACIVSA-N 2 0 296.459 0.903 20 30 CCEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598720387 361495962 /nfs/dbraw/zinc/49/59/62/361495962.db2.gz OUJZUQFCJOTQHJ-AWEZNQCLSA-N 2 0 296.459 0.903 20 30 CCEDRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724266 361497198 /nfs/dbraw/zinc/49/71/98/361497198.db2.gz MYHCSRHYSFQMNB-LBPRGKRZSA-N 2 0 257.378 0.455 20 30 CCEDRP CCCCCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305233084 389086057 /nfs/dbraw/zinc/08/60/57/389086057.db2.gz ZJHDRRDUEYIPQD-CYBMUJFWSA-N 2 0 267.421 0.471 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](C)C2)CC1 ZINC000109850307 389100936 /nfs/dbraw/zinc/10/09/36/389100936.db2.gz WCOXUYGCRMUGND-CYBMUJFWSA-N 2 0 263.385 0.400 20 30 CCEDRP CN(C)c1nccc(N2CCN(CCCC#N)CC2)n1 ZINC000330366436 389221611 /nfs/dbraw/zinc/22/16/11/389221611.db2.gz QPYKFVKQXUBOQI-UHFFFAOYSA-N 2 0 274.372 0.968 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329786 389983935 /nfs/dbraw/zinc/98/39/35/389983935.db2.gz HKFQDTSFJOBHMT-RWMBFGLXSA-N 2 0 294.399 0.318 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564845521 390497469 /nfs/dbraw/zinc/49/74/69/390497469.db2.gz UHIAMNQKRXWXIU-DZGCQCFKSA-N 2 0 280.416 0.267 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000645944940 390542451 /nfs/dbraw/zinc/54/24/51/390542451.db2.gz IRHHRTNNXHWSED-NSHDSACASA-N 2 0 251.374 0.894 20 30 CCEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC#CCOC)CC1 ZINC000650277500 397708197 /nfs/dbraw/zinc/70/81/97/397708197.db2.gz LTWKFUDLMJEZNZ-UHFFFAOYSA-N 2 0 267.417 0.642 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[NH+]2CCC(OC)CC2)CCC[NH2+]1 ZINC000662747332 414757889 /nfs/dbraw/zinc/75/78/89/414757889.db2.gz SPMDDDALIQMGLJ-MRXNPFEDSA-N 2 0 295.427 0.912 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC[N@@H+](CCOC)CC2)CCC[NH2+]1 ZINC000662786940 414795501 /nfs/dbraw/zinc/79/55/01/414795501.db2.gz AOMFJAVRKSEYFA-MRXNPFEDSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662813201 414812604 /nfs/dbraw/zinc/81/26/04/414812604.db2.gz IDFWGUAUVBAFQY-OCCSQVGLSA-N 2 0 267.373 0.261 20 30 CCEDRP C[C@@H](O)[C@H]1CC[N@H+](CC#CC[NH+]2CC[C@@H]([C@H](C)O)C2)C1 ZINC000341905709 263364792 /nfs/dbraw/zinc/36/47/92/263364792.db2.gz CCEQKLDXCHDCQG-SYMSYNOKSA-N 2 0 280.412 0.395 20 30 CCEDRP C=CCCC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566112489 327138565 /nfs/dbraw/zinc/13/85/65/327138565.db2.gz WPQQPABHIWNANN-HUUCEWRRSA-N 2 0 269.433 0.929 20 30 CCEDRP CC(C)(C)NC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912846 329072293 /nfs/dbraw/zinc/07/22/93/329072293.db2.gz ULPIOCABEFTDAK-UHFFFAOYSA-N 2 0 256.394 0.800 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]CC2CC2)CC1 ZINC000178769029 329200219 /nfs/dbraw/zinc/20/02/19/329200219.db2.gz HZZOZUFEUDFBFH-UHFFFAOYSA-N 2 0 251.374 0.753 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1=CCCOC1 ZINC000262321525 330005973 /nfs/dbraw/zinc/00/59/73/330005973.db2.gz RMIPIXLURXMNGW-CYBMUJFWSA-N 2 0 266.389 0.722 20 30 CCEDRP COC1CC[NH+](C(C)(C)CNC(=[NH2+])NC2CC2)CC1 ZINC000263141437 330045435 /nfs/dbraw/zinc/04/54/35/330045435.db2.gz JQVZFCCNZNFAOJ-UHFFFAOYSA-N 2 0 268.405 0.943 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424141607 330283303 /nfs/dbraw/zinc/28/33/03/330283303.db2.gz GQWDAMQXAHYJGJ-WXHSDQCUSA-N 2 0 264.373 0.606 20 30 CCEDRP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424141766 330283871 /nfs/dbraw/zinc/28/38/71/330283871.db2.gz XHZCOWGZAHZOEG-ZDUSSCGKSA-N 2 0 266.389 0.950 20 30 CCEDRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424148334 330295097 /nfs/dbraw/zinc/29/50/97/330295097.db2.gz UGIMBCSABXFTSM-XQQFMLRXSA-N 2 0 266.389 0.997 20 30 CCEDRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424151251 330297070 /nfs/dbraw/zinc/29/70/70/330297070.db2.gz HIMDSUHOKGNNOJ-VXGBXAGGSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424155218 330301905 /nfs/dbraw/zinc/30/19/05/330301905.db2.gz MNGHTOGMTXZAHW-JQWIXIFHSA-N 2 0 250.346 0.360 20 30 CCEDRP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424157118 330304601 /nfs/dbraw/zinc/30/46/01/330304601.db2.gz PGMFLIZHMJUVFX-NWDGAFQWSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000424162475 330307344 /nfs/dbraw/zinc/30/73/44/330307344.db2.gz SSANNIOLUABKQI-TUAOUCFPSA-N 2 0 250.346 0.360 20 30 CCEDRP CC(C)[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424192538 330323829 /nfs/dbraw/zinc/32/38/29/330323829.db2.gz PEAXOPBIFAWUHB-CYBMUJFWSA-N 2 0 266.389 0.997 20 30 CCEDRP C=CCNC(=O)NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300500 330337061 /nfs/dbraw/zinc/33/70/61/330337061.db2.gz WJVHZSTXBTZTPX-LBPRGKRZSA-N 2 0 294.399 0.462 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000490935463 332130819 /nfs/dbraw/zinc/13/08/19/332130819.db2.gz MXXQWBZSSNSHOL-UHFFFAOYSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000491340142 332193291 /nfs/dbraw/zinc/19/32/91/332193291.db2.gz VTVTVECRFPGHBG-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000491473611 332217876 /nfs/dbraw/zinc/21/78/76/332217876.db2.gz FZUMHWCOQOHTED-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000491516114 332227727 /nfs/dbraw/zinc/22/77/27/332227727.db2.gz QZRRIGDIECIETO-CQSZACIVSA-N 2 0 280.416 0.583 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=S)NCCC[NH+](C)C ZINC000491680101 332283873 /nfs/dbraw/zinc/28/38/73/332283873.db2.gz HVIYZQDRDQYGEH-UHFFFAOYSA-N 2 0 270.446 0.357 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000491730399 332312469 /nfs/dbraw/zinc/31/24/69/332312469.db2.gz OSYSJUWEFKRJQN-CQSZACIVSA-N 2 0 280.416 0.712 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000491800575 332355292 /nfs/dbraw/zinc/35/52/92/332355292.db2.gz AHBMXEPUCFHSHZ-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP CN(C(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1)C1CC1 ZINC000305835920 649881574 /nfs/dbraw/zinc/88/15/74/649881574.db2.gz WTFJRZRLDFBXKP-UHFFFAOYSA-N 2 0 291.399 0.931 20 30 CCEDRP C#CCOCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000779586575 581193383 /nfs/dbraw/zinc/19/33/83/581193383.db2.gz ZDJXKFVDRXDJMT-UHFFFAOYSA-N 2 0 253.390 0.206 20 30 CCEDRP C#CCSCC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000898584245 613013037 /nfs/dbraw/zinc/01/30/37/613013037.db2.gz ATKHDGUPNKEWLK-ZDUSSCGKSA-N 2 0 285.457 0.741 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852109127 612949691 /nfs/dbraw/zinc/94/96/91/612949691.db2.gz WBYLJJRURUQBSZ-ZFWWWQNUSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000895056445 613074660 /nfs/dbraw/zinc/07/46/60/613074660.db2.gz KZENRIRXYPVXPC-OKILXGFUSA-N 2 0 278.400 0.145 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCOCC[NH2+]C ZINC000877030179 613387284 /nfs/dbraw/zinc/38/72/84/613387284.db2.gz ZXUUNPRTUGIRQQ-SNVBAGLBSA-N 2 0 263.769 0.151 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000969559298 612959847 /nfs/dbraw/zinc/95/98/47/612959847.db2.gz AFFWSAATMBUQMS-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878763726 612964386 /nfs/dbraw/zinc/96/43/86/612964386.db2.gz MXKIHSMUTORANU-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCOCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594490 612982276 /nfs/dbraw/zinc/98/22/76/612982276.db2.gz KKWQGQICXBYOFL-UHFFFAOYSA-N 2 0 265.401 0.348 20 30 CCEDRP C#CCCN(CCOC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000852749442 612989465 /nfs/dbraw/zinc/98/94/65/612989465.db2.gz YGTOSVGQXWFUOS-AWEZNQCLSA-N 2 0 256.390 0.659 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000970744818 612993721 /nfs/dbraw/zinc/99/37/21/612993721.db2.gz HNROUYGBSPMNSU-CYBMUJFWSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000969960429 612994288 /nfs/dbraw/zinc/99/42/88/612994288.db2.gz ZCWXVMQBFKZFRH-UMVBOHGHSA-N 2 0 293.411 0.165 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000981958165 613005037 /nfs/dbraw/zinc/00/50/37/613005037.db2.gz BPXAHHUAUYGUDS-CABCVRRESA-N 2 0 277.412 0.742 20 30 CCEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977602529 613032585 /nfs/dbraw/zinc/03/25/85/613032585.db2.gz RQXGECIDLYQIDE-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000824570554 613073959 /nfs/dbraw/zinc/07/39/59/613073959.db2.gz TYPANMSMQLKZDR-LSDHHAIUSA-N 2 0 292.427 0.677 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972734880 613079639 /nfs/dbraw/zinc/07/96/39/613079639.db2.gz GRNXSUHQJPSNKK-CYBMUJFWSA-N 2 0 261.369 0.248 20 30 CCEDRP C#C[C@@H](CC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875593551 613083536 /nfs/dbraw/zinc/08/35/36/613083536.db2.gz FDQZRYROVBZHFY-KFWWJZLASA-N 2 0 294.443 0.779 20 30 CCEDRP C#C[C@H](CC)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000854073640 613119779 /nfs/dbraw/zinc/11/97/79/613119779.db2.gz ZCILFQWFXIAFGS-CYBMUJFWSA-N 2 0 268.405 0.533 20 30 CCEDRP C#CC[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000895808686 613132347 /nfs/dbraw/zinc/13/23/47/613132347.db2.gz RUFNZALNRNGVMJ-UHFFFAOYSA-N 2 0 258.325 0.112 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC000928658706 613132972 /nfs/dbraw/zinc/13/29/72/613132972.db2.gz ZEVYQMVJHLKJEZ-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000920404207 613135426 /nfs/dbraw/zinc/13/54/26/613135426.db2.gz LUIMWIQILWSFCK-HIFRSBDPSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944151532 613223667 /nfs/dbraw/zinc/22/36/67/613223667.db2.gz ABPHDYFEEUTISA-ZIAGYGMSSA-N 2 0 275.396 0.542 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745211 613364352 /nfs/dbraw/zinc/36/43/52/613364352.db2.gz RQQPHIZAUUJFMC-GJZGRUSLSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000900912665 613364827 /nfs/dbraw/zinc/36/48/27/613364827.db2.gz NNYFCWKGSCMUSF-LBPRGKRZSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000764578127 613365758 /nfs/dbraw/zinc/36/57/58/613365758.db2.gz WFWSCMYKYZZCRJ-WCQYABFASA-N 2 0 253.390 0.903 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000827439734 613365884 /nfs/dbraw/zinc/36/58/84/613365884.db2.gz IGYJTFOYWDEBCT-UHFFFAOYSA-N 2 0 294.443 0.343 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000817043243 613366145 /nfs/dbraw/zinc/36/61/45/613366145.db2.gz FANBYAASDIZHOL-CQSZACIVSA-N 2 0 251.374 0.658 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913281011 613366415 /nfs/dbraw/zinc/36/64/15/613366415.db2.gz JVETTXNPRZSZGN-GJZGRUSLSA-N 2 0 265.401 0.904 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+](C)CCOC ZINC000798279588 613366497 /nfs/dbraw/zinc/36/64/97/613366497.db2.gz CIOBULFULVMYIK-UHFFFAOYSA-N 2 0 257.378 0.189 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000876764900 613387891 /nfs/dbraw/zinc/38/78/91/613387891.db2.gz XJABGONSCFMDSM-LLVKDONJSA-N 2 0 289.807 0.683 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876730744 613390210 /nfs/dbraw/zinc/39/02/10/613390210.db2.gz KSUUGUVXJCGBOZ-WDEREUQCSA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877387460 613390271 /nfs/dbraw/zinc/39/02/71/613390271.db2.gz ZEBYUYPZFAIUTO-HOSYDEDBSA-N 2 0 257.765 0.857 20 30 CCEDRP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979077471 613560615 /nfs/dbraw/zinc/56/06/15/613560615.db2.gz CYIKQKWCFTVYAL-ZQDZILKHSA-N 2 0 277.412 0.808 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959966407 613636938 /nfs/dbraw/zinc/63/69/38/613636938.db2.gz LXAYASCBRUYFOD-ZSAUSMIDSA-N 2 0 275.396 0.396 20 30 CCEDRP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981208734 613694908 /nfs/dbraw/zinc/69/49/08/613694908.db2.gz BSFNEUMRBZXDMU-HUUCEWRRSA-N 2 0 293.411 0.570 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155641 613851780 /nfs/dbraw/zinc/85/17/80/613851780.db2.gz XIJHETRKAYJSAJ-LBPRGKRZSA-N 2 0 284.404 0.838 20 30 CCEDRP C=CCS(=O)(=O)CC[NH2+]CC1CC[NH+](C)CC1 ZINC000893506405 613885756 /nfs/dbraw/zinc/88/57/56/613885756.db2.gz UGJBCGWOXUBUHI-UHFFFAOYSA-N 2 0 260.403 0.519 20 30 CCEDRP CC1(C)C[NH2+]CCN1C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867960866 614699685 /nfs/dbraw/zinc/69/96/85/614699685.db2.gz PWRCROZAVGYRBG-HNNXBMFYSA-N 2 0 298.390 0.955 20 30 CCEDRP C[NH+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884175842 615880957 /nfs/dbraw/zinc/88/09/57/615880957.db2.gz KKWXYOGRFQRMRX-LXVYMNJGSA-N 2 0 264.373 0.194 20 30 CCEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+]1CCCO)N(C)C ZINC000849034297 615945059 /nfs/dbraw/zinc/94/50/59/615945059.db2.gz QMDKHVHUXGUHMG-LBPRGKRZSA-N 2 0 256.394 0.312 20 30 CCEDRP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884309999 615945543 /nfs/dbraw/zinc/94/55/43/615945543.db2.gz LZGOJMYZXRLPOY-IOSBVQAASA-N 2 0 290.411 0.678 20 30 CCEDRP C#CCSCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000178581846 625331786 /nfs/dbraw/zinc/33/17/86/625331786.db2.gz PLMDEOFIOASOPZ-LBPRGKRZSA-N 2 0 268.430 0.741 20 30 CCEDRP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744877 623125676 /nfs/dbraw/zinc/12/56/76/623125676.db2.gz WICKPWHFMHJIQI-KGLIPLIRSA-N 2 0 263.385 0.400 20 30 CCEDRP CN1CCN(C(=O)CCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000177745374 623463976 /nfs/dbraw/zinc/46/39/76/623463976.db2.gz TYMKDNJTHBTHCV-UHFFFAOYSA-N 2 0 295.431 0.341 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH2+]C(C)(C)C ZINC000304758861 624488513 /nfs/dbraw/zinc/48/85/13/624488513.db2.gz QOJFGGZLTBBBBH-GFCCVEGCSA-N 3 0 269.437 0.763 20 30 CCEDRP C=CCNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000261695183 624815819 /nfs/dbraw/zinc/81/58/19/624815819.db2.gz BSLXUABXUZYVCL-UHFFFAOYSA-N 2 0 288.399 0.424 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414486 625873932 /nfs/dbraw/zinc/87/39/32/625873932.db2.gz QNNBGSIZZIJLCA-JKSUJKDBSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027576662 630768906 /nfs/dbraw/zinc/76/89/06/630768906.db2.gz TWJFNLNOWBLYAR-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000261772880 631581248 /nfs/dbraw/zinc/58/12/48/631581248.db2.gz MYLGIXXLUBMAFU-LBPRGKRZSA-N 2 0 254.378 0.410 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000986825373 632802556 /nfs/dbraw/zinc/80/25/56/632802556.db2.gz MHKUTQGIKDKDQE-TZMCWYRMSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000989450802 633273609 /nfs/dbraw/zinc/27/36/09/633273609.db2.gz PYITVUJGAOMAMQ-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCC1 ZINC000170908619 637103691 /nfs/dbraw/zinc/10/36/91/637103691.db2.gz HSTAYAHJJQKCPN-CQSZACIVSA-N 3 0 281.448 0.861 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999050153 638956491 /nfs/dbraw/zinc/95/64/91/638956491.db2.gz KMEAJPYUVHEADS-UHFFFAOYSA-N 2 0 275.396 0.827 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999345793 638976198 /nfs/dbraw/zinc/97/61/98/638976198.db2.gz AYTBMOATTRVQLT-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999405767 638980537 /nfs/dbraw/zinc/98/05/37/638980537.db2.gz HWCOLIOGHIXUJJ-HSBZDZAISA-N 2 0 263.385 0.683 20 30 CCEDRP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000519304 639108721 /nfs/dbraw/zinc/10/87/21/639108721.db2.gz UEUJEGIAEQQTBK-HNNXBMFYSA-N 2 0 275.396 0.852 20 30 CCEDRP C=CC[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000571770 639122475 /nfs/dbraw/zinc/12/24/75/639122475.db2.gz KYLCIZNGFRPCPH-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003971499 639658571 /nfs/dbraw/zinc/65/85/71/639658571.db2.gz QBGXYERBJUAPIN-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP N#Cc1ccc([C@@H](O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923461549 640150065 /nfs/dbraw/zinc/15/00/65/640150065.db2.gz YPJFJNBSNGYCEJ-HNNXBMFYSA-N 2 0 274.368 0.086 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015655256 650602268 /nfs/dbraw/zinc/60/22/68/650602268.db2.gz MHTPREMISVBDRP-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP OCC[NH+]1CCC(=NNCC[NH+]2CCCCC2)CC1 ZINC000819806502 641433913 /nfs/dbraw/zinc/43/39/13/641433913.db2.gz UCTODRWDPNZJGI-UHFFFAOYSA-N 2 0 268.405 0.506 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016252098 650705514 /nfs/dbraw/zinc/70/55/14/650705514.db2.gz YWKKDZGYLDGMSD-CHWSQXEVSA-N 2 0 251.374 0.705 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000834484274 642575206 /nfs/dbraw/zinc/57/52/06/642575206.db2.gz GPEJEFQPILJKAM-SIGQOLJVSA-N 2 0 276.384 0.368 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000834485639 642577609 /nfs/dbraw/zinc/57/76/09/642577609.db2.gz ZQJACAQLYNVGSS-WHOFXGATSA-N 2 0 297.362 0.265 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000834485631 642578647 /nfs/dbraw/zinc/57/86/47/642578647.db2.gz ZOFASZXZCUPLTE-RTXFEEFZSA-N 2 0 276.315 0.096 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000834490374 642581899 /nfs/dbraw/zinc/58/18/99/642581899.db2.gz UTARMCWSUNVDDL-OWCLPIDISA-N 2 0 298.390 0.879 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000841849741 642842985 /nfs/dbraw/zinc/84/29/85/642842985.db2.gz JNZXHAZNMNTZJV-KVSVUVNWSA-N 2 0 262.357 0.135 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000843462619 643065925 /nfs/dbraw/zinc/06/59/25/643065925.db2.gz ROAGTPLAFNQLPV-DZGCQCFKSA-N 2 0 298.390 0.536 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000848427729 643635659 /nfs/dbraw/zinc/63/56/59/643635659.db2.gz QFLXIRMWRJLEJO-NXEZZACHSA-N 2 0 274.315 0.511 20 30 CCEDRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848460667 643643546 /nfs/dbraw/zinc/64/35/46/643643546.db2.gz MPZMOUFOOYNLKH-OLZOCXBDSA-N 2 0 266.389 0.998 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000852799111 644002980 /nfs/dbraw/zinc/00/29/80/644002980.db2.gz QKCVRLPJNFHYQI-KGLIPLIRSA-N 2 0 261.369 0.342 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852828519 644014946 /nfs/dbraw/zinc/01/49/46/644014946.db2.gz YGXWLFLDIULZHO-XBFCOCLRSA-N 2 0 270.336 0.449 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000852858592 644027352 /nfs/dbraw/zinc/02/73/52/644027352.db2.gz FDAZUCSTJDEDAZ-UHFFFAOYSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000852891846 644045867 /nfs/dbraw/zinc/04/58/67/644045867.db2.gz ZIFZVESWILDXJP-HZPDHXFCSA-N 2 0 289.423 0.980 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001018965012 650925793 /nfs/dbraw/zinc/92/57/93/650925793.db2.gz SZFKHEBXLJYGGG-QWHCGFSZSA-N 2 0 251.374 0.703 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001019290209 650957851 /nfs/dbraw/zinc/95/78/51/650957851.db2.gz VXITXWUUDMDOJW-IHRRRGAJSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001019820347 651007087 /nfs/dbraw/zinc/00/70/87/651007087.db2.gz HAWLTDLURYCSHG-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001020347936 651061993 /nfs/dbraw/zinc/06/19/93/651061993.db2.gz GLCOSIQMAYLARC-JOCQHMNTSA-N 2 0 261.369 0.485 20 30 CCEDRP C[C@@H]1C(=NNCCCN2CCOCC2)CCN1C ZINC000872371209 646251781 /nfs/dbraw/zinc/25/17/81/646251781.db2.gz JJDXLRSPCYKFCZ-GFCCVEGCSA-N 2 0 254.378 0.378 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525287 646619670 /nfs/dbraw/zinc/61/96/70/646619670.db2.gz IFSOTBVSEJVWQI-BLLLJJGKSA-N 2 0 298.390 0.861 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876976460 646711225 /nfs/dbraw/zinc/71/12/25/646711225.db2.gz LUIRXPVNMRVGQJ-VXKCQOAXSA-N 2 0 296.374 0.613 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C2 ZINC000884237537 647674359 /nfs/dbraw/zinc/67/43/59/647674359.db2.gz FYZHHBDDLCZPMP-QRFPHZIJSA-N 2 0 288.395 0.479 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@H]1CC[NH3+])C2 ZINC000884286336 647695237 /nfs/dbraw/zinc/69/52/37/647695237.db2.gz BRJBLJOPEKAGPU-WJEHIRDRSA-N 2 0 290.411 0.856 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](CC(C)C)[NH+](C)C ZINC000303791798 649825430 /nfs/dbraw/zinc/82/54/30/649825430.db2.gz XVYZKEJPBKFJJG-RYUDHWBXSA-N 2 0 258.410 0.902 20 30 CCEDRP C[C@@H](C[NH+]=C(N(C)C)N(C)C)C[NH+]1CCN(C)CC1 ZINC000303871390 649825874 /nfs/dbraw/zinc/82/58/74/649825874.db2.gz FVJZVFUPQOSHSG-ZDUSSCGKSA-N 2 0 269.437 0.349 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303895479 649826451 /nfs/dbraw/zinc/82/64/51/649826451.db2.gz TWFBFVDHDDZRAO-CYBMUJFWSA-N 2 0 268.405 0.754 20 30 CCEDRP CC(C)CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303887540 649826656 /nfs/dbraw/zinc/82/66/56/649826656.db2.gz OLJLXBULVSKDPN-CQSZACIVSA-N 2 0 283.464 0.820 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303978025 649827651 /nfs/dbraw/zinc/82/76/51/649827651.db2.gz LXIPTDFMKVRLHN-UHFFFAOYSA-N 2 0 269.437 0.574 20 30 CCEDRP CC[N@H+](CCNC(=[NH2+])NCCCN1CCOCC1)C(C)C ZINC000303983032 649827998 /nfs/dbraw/zinc/82/79/98/649827998.db2.gz QTUIQHCMJWEJLG-UHFFFAOYSA-N 2 0 299.463 0.343 20 30 CCEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303989583 649828089 /nfs/dbraw/zinc/82/80/89/649828089.db2.gz XQDBJISXBOHNMY-ZDUSSCGKSA-N 2 0 297.447 0.586 20 30 CCEDRP CCCC[N@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000304750040 649838373 /nfs/dbraw/zinc/83/83/73/649838373.db2.gz IASXGGZJINNVPL-UHFFFAOYSA-N 2 0 299.463 0.345 20 30 CCEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N(CC)CC ZINC000304835471 649839421 /nfs/dbraw/zinc/83/94/21/649839421.db2.gz NCNJSKSMPYAYCQ-GFCCVEGCSA-N 2 0 258.410 1.000 20 30 CCEDRP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266248089 790323632 /nfs/dbraw/zinc/32/36/32/790323632.db2.gz DKZXDSNZPVBTIN-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001208264491 790418093 /nfs/dbraw/zinc/41/80/93/790418093.db2.gz MNSBVPFANBFPFL-KGLIPLIRSA-N 2 0 283.391 0.880 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001208264494 790418544 /nfs/dbraw/zinc/41/85/44/790418544.db2.gz MNSBVPFANBFPFL-ZIAGYGMSSA-N 2 0 283.391 0.880 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001266479996 790774606 /nfs/dbraw/zinc/77/46/06/790774606.db2.gz HTFPETMJZLURDM-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266564827 790935615 /nfs/dbraw/zinc/93/56/15/790935615.db2.gz CFOPZAHMCOHRLX-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266619294 791043849 /nfs/dbraw/zinc/04/38/49/791043849.db2.gz HHMNQCHZYONKLD-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cncn1C ZINC001277717517 805982039 /nfs/dbraw/zinc/98/20/39/805982039.db2.gz NQNRRKWGBRSRJD-AWEZNQCLSA-N 2 0 274.368 0.422 20 30 CCEDRP C[NH+](C)CCN1CC[NH+](Cc2ccc(C#N)cc2[O-])CC1 ZINC001233383566 806053767 /nfs/dbraw/zinc/05/37/67/806053767.db2.gz MVODRNPMNMDNSW-UHFFFAOYSA-N 2 0 288.395 0.943 20 30 CCEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266940271 791377143 /nfs/dbraw/zinc/37/71/43/791377143.db2.gz ZQFUQNJMAQADQH-OCCSQVGLSA-N 2 0 265.401 0.999 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267048086 791478820 /nfs/dbraw/zinc/47/88/20/791478820.db2.gz UGJKMGXIQCKPPE-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267133174 791578666 /nfs/dbraw/zinc/57/86/66/791578666.db2.gz ZUWVTBVKMWJCQL-AWEZNQCLSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001277845291 806219936 /nfs/dbraw/zinc/21/99/36/806219936.db2.gz LVIZBCYYJLHUJM-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCCCC#N)C[C@H]21 ZINC001277951997 806451792 /nfs/dbraw/zinc/45/17/92/806451792.db2.gz RSLOOHVCTQCCKF-CABCVRRESA-N 2 0 280.416 0.627 20 30 CCEDRP C=CC[NH+](CC=C)CCN1CCN(C[C@@H](C)[NH3+])CC1 ZINC001236434953 806591612 /nfs/dbraw/zinc/59/16/12/806591612.db2.gz YXAZAFXLTDQBRG-OAHLLOKOSA-N 2 0 266.433 0.625 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001278077604 806652844 /nfs/dbraw/zinc/65/28/44/806652844.db2.gz LVBJYNBTNDWGCA-CQSZACIVSA-N 2 0 297.443 0.894 20 30 CCEDRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC001120574944 798873604 /nfs/dbraw/zinc/87/36/04/798873604.db2.gz TYFUOWMHJNMLEW-OAHLLOKOSA-N 2 0 296.459 0.904 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121696631 799064513 /nfs/dbraw/zinc/06/45/13/799064513.db2.gz ZNBUWKALZUNARL-UHFFFAOYSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001121922543 799094072 /nfs/dbraw/zinc/09/40/72/799094072.db2.gz LJZZSYOBXMWCMZ-CABCVRRESA-N 2 0 295.427 0.851 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122063429 799132608 /nfs/dbraw/zinc/13/26/08/799132608.db2.gz INCCARJKFDIVQC-UHFFFAOYSA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150796301 800368337 /nfs/dbraw/zinc/36/83/37/800368337.db2.gz TVRAZYKIPUEGLW-OAHLLOKOSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCF)CC1 ZINC001152334877 800511084 /nfs/dbraw/zinc/51/10/84/800511084.db2.gz TXQKIMSMZLFNQH-UHFFFAOYSA-N 2 0 269.364 0.397 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCC)CC1 ZINC001152335080 800511391 /nfs/dbraw/zinc/51/13/91/800511391.db2.gz YYYOMLDZXJRESH-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156901654 801259494 /nfs/dbraw/zinc/25/94/94/801259494.db2.gz RQCQNQOAVKLVJO-LSDHHAIUSA-N 2 0 297.443 0.967 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C[C@@H]1[NH3+] ZINC001157798547 801487853 /nfs/dbraw/zinc/48/78/53/801487853.db2.gz DWTYECCEJUUNIT-UGFHNGPFSA-N 2 0 286.379 0.624 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159335182 801794930 /nfs/dbraw/zinc/79/49/30/801794930.db2.gz UORDUBSGLFSDSV-CQSZACIVSA-N 2 0 265.401 0.980 20 30 CCEDRP N#Cc1cc2c(nc1N[C@H]([NH3+])CCC[NH3+])CCOC2 ZINC001159789611 801874225 /nfs/dbraw/zinc/87/42/25/801874225.db2.gz WCNNURVYMNOQTP-LBPRGKRZSA-N 2 0 261.329 0.462 20 30 CCEDRP N#CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160667893 801994311 /nfs/dbraw/zinc/99/43/11/801994311.db2.gz NDSCBHHENDVDDG-ZDUSSCGKSA-N 2 0 260.341 0.605 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161042404 802074598 /nfs/dbraw/zinc/07/45/98/802074598.db2.gz QMZRUZKZBFVNRG-CQSZACIVSA-N 2 0 283.416 0.769 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165263650 802807247 /nfs/dbraw/zinc/80/72/47/802807247.db2.gz SFNXMVDAQYJWND-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP N#Cc1c2c(cnc1N1CCC[C@H]3[NH2+]C[C@H]31)C[NH2+]CCC2 ZINC001165387150 802832308 /nfs/dbraw/zinc/83/23/08/802832308.db2.gz IOECJPUAFRXOJO-HUUCEWRRSA-N 2 0 283.379 0.930 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776388 802864396 /nfs/dbraw/zinc/86/43/96/802864396.db2.gz HQRUMRQUQOYJDT-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166011187 802881791 /nfs/dbraw/zinc/88/17/91/802881791.db2.gz ZAYFXDGZOPKZFD-CYBMUJFWSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692412 802939631 /nfs/dbraw/zinc/93/96/31/802939631.db2.gz PHUZAWYONXUBLB-QWHCGFSZSA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166694883 802941246 /nfs/dbraw/zinc/94/12/46/802941246.db2.gz YIVUWVOZKLJQCB-KBPBESRZSA-N 2 0 283.416 0.483 20 30 CCEDRP N#Cc1c2c(cnc1N1CCO[C@@H](C[NH3+])C1)C[NH2+]CCC2 ZINC001166937653 802984708 /nfs/dbraw/zinc/98/47/08/802984708.db2.gz GKLUQXXVLOGQRY-LBPRGKRZSA-N 2 0 287.367 0.153 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357699 803025863 /nfs/dbraw/zinc/02/58/63/803025863.db2.gz HBAUHARNUYRJCV-UONOGXRCSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001276448697 803071801 /nfs/dbraw/zinc/07/18/01/803071801.db2.gz YZNNFHBHUGPFGO-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001206281155 803223107 /nfs/dbraw/zinc/22/31/07/803223107.db2.gz CXKHHAOLCMYJSE-ZFWWWQNUSA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206872375 803297523 /nfs/dbraw/zinc/29/75/23/803297523.db2.gz ASGCOLBFHLMJBM-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208413866 803513457 /nfs/dbraw/zinc/51/34/57/803513457.db2.gz CLZNFMRMBJANQG-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001276590030 803548011 /nfs/dbraw/zinc/54/80/11/803548011.db2.gz USVYLGRSANNOJI-LSDHHAIUSA-N 2 0 275.396 0.446 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001276640183 803601348 /nfs/dbraw/zinc/60/13/48/803601348.db2.gz AAARCNNGOUGHRB-ZIAGYGMSSA-N 2 0 263.385 0.588 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461262 803812200 /nfs/dbraw/zinc/81/22/00/803812200.db2.gz YQQXAEBOWNDOQG-ZIAGYGMSSA-N 2 0 281.400 0.024 20 30 CCEDRP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000402125694 803813244 /nfs/dbraw/zinc/81/32/44/803813244.db2.gz CNSNTVKDEZZRHD-JSGCOSHPSA-N 2 0 275.352 0.579 20 30 CCEDRP Cc1[nH]c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C#N)c1C ZINC001218556784 804003576 /nfs/dbraw/zinc/00/35/76/804003576.db2.gz YTMPJLJXIARAKO-JTQLQIEISA-N 2 0 281.385 0.461 20 30 CCEDRP N#Cc1nc[nH]c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218595902 804027362 /nfs/dbraw/zinc/02/73/62/804027362.db2.gz XPKCHXZOCWTUTJ-SECBINFHSA-N 2 0 274.328 0.094 20 30 CCEDRP Cn1cc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(C#N)n1 ZINC001218669096 804074765 /nfs/dbraw/zinc/07/47/65/804074765.db2.gz XDHXMHPONNANFJ-VIFPVBQESA-N 2 0 264.333 0.077 20 30 CCEDRP Cc1coc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1C#N ZINC001218768317 804115644 /nfs/dbraw/zinc/11/56/44/804115644.db2.gz KIDQVLOWVCYQCV-GFCCVEGCSA-N 2 0 291.355 0.149 20 30 CCEDRP CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1C#N ZINC001218915135 804156345 /nfs/dbraw/zinc/15/63/45/804156345.db2.gz JQBIHFDYLMQPCC-LBPRGKRZSA-N 2 0 289.339 0.521 20 30 CCEDRP COc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218979252 804172578 /nfs/dbraw/zinc/17/25/78/804172578.db2.gz INQSNSNDVWKMJW-CQSZACIVSA-N 2 0 288.351 0.832 20 30 CCEDRP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219055100 804188343 /nfs/dbraw/zinc/18/83/43/804188343.db2.gz WMTVQYXRORSIAN-LSDHHAIUSA-N 2 0 295.427 0.814 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC1(C#N)CCC1 ZINC001219632616 804382386 /nfs/dbraw/zinc/38/23/86/804382386.db2.gz PQSROGQWKFZKAZ-LBPRGKRZSA-N 2 0 266.389 0.856 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227163 804542242 /nfs/dbraw/zinc/54/22/42/804542242.db2.gz KBDBFRYOUWVORV-KGLIPLIRSA-N 2 0 295.427 0.456 20 30 CCEDRP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220596806 804635094 /nfs/dbraw/zinc/63/50/94/804635094.db2.gz IPIRUUOVRCJQOG-HUUCEWRRSA-N 2 0 296.374 0.471 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688561 804650507 /nfs/dbraw/zinc/65/05/07/804650507.db2.gz KEFSIMMQTDEXOV-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220823829 804674807 /nfs/dbraw/zinc/67/48/07/804674807.db2.gz DXCZUQHQDNXATK-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091721 804730745 /nfs/dbraw/zinc/73/07/45/804730745.db2.gz VKZMKPAFOFRZQT-OLZOCXBDSA-N 2 0 269.389 0.064 20 30 CCEDRP C#CC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCCCC1 ZINC001221276159 804762672 /nfs/dbraw/zinc/76/26/72/804762672.db2.gz RWNVFIIEAVRVGP-AWEZNQCLSA-N 2 0 292.427 0.189 20 30 CCEDRP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221292519 804768641 /nfs/dbraw/zinc/76/86/41/804768641.db2.gz NRWNUUIAOUXCEW-JSGCOSHPSA-N 2 0 266.389 0.758 20 30 CCEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)NCCCC[NH3+])c1 ZINC001221344693 804782661 /nfs/dbraw/zinc/78/26/61/804782661.db2.gz CWKNMSHMOJUDOK-ZDUSSCGKSA-N 2 0 260.341 0.283 20 30 CCEDRP CC#CCN1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001276910343 804984961 /nfs/dbraw/zinc/98/49/61/804984961.db2.gz YLJWNILJUGCUGO-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001224546971 805048814 /nfs/dbraw/zinc/04/88/14/805048814.db2.gz USMNTBRXQOARPS-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001224546972 805048996 /nfs/dbraw/zinc/04/89/96/805048996.db2.gz USMNTBRXQOARPS-CQSZACIVSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001277094175 805187703 /nfs/dbraw/zinc/18/77/03/805187703.db2.gz NJCBKIAOMFVCAF-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001277094240 805187881 /nfs/dbraw/zinc/18/78/81/805187881.db2.gz PEDJZOYRMDOPLX-KBPBESRZSA-N 2 0 275.396 0.875 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001229253291 805514645 /nfs/dbraw/zinc/51/46/45/805514645.db2.gz AYMXIMPXTOYCEY-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCOC[C@@H](O)C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001245982523 807105627 /nfs/dbraw/zinc/10/56/27/807105627.db2.gz SJVGPNIRIZBZHB-KGLIPLIRSA-N 2 0 266.385 0.509 20 30 CCEDRP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C#N)C2)CCC[C@H]1C[NH3+] ZINC001246563939 807292464 /nfs/dbraw/zinc/29/24/64/807292464.db2.gz WCXVQEFNUGWSTO-ZOBORPQBSA-N 2 0 250.390 0.937 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001251634707 807691066 /nfs/dbraw/zinc/69/10/66/807691066.db2.gz IFAVMPJAFKDHEG-MELADBBJSA-N 2 0 278.400 0.191 20 30 CCEDRP CC[NH+](CC)C[C@@H](O)CNC(=[NH2+])c1ccc(F)cn1 ZINC001253206554 808031467 /nfs/dbraw/zinc/03/14/67/808031467.db2.gz PMKITTGDBNCIHC-NSHDSACASA-N 2 0 268.336 0.629 20 30 CCEDRP C=C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001253610690 808096796 /nfs/dbraw/zinc/09/67/96/808096796.db2.gz VWCNTPAKLMBYKQ-JHJVBQTASA-N 2 0 269.389 0.112 20 30 CCEDRP C=C(C)C(=O)OCc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164034 808193205 /nfs/dbraw/zinc/19/32/05/808193205.db2.gz FVGUTLZNOXJTFG-UHFFFAOYSA-N 2 0 295.387 0.616 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001278780026 808223757 /nfs/dbraw/zinc/22/37/57/808223757.db2.gz VCGKNXMHWMYZIN-CQSZACIVSA-N 2 0 293.411 0.047 20 30 CCEDRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254642483 808268974 /nfs/dbraw/zinc/26/89/74/808268974.db2.gz HXWWPSNKZKAGKJ-ZIAGYGMSSA-N 2 0 250.390 0.906 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001279038415 808631821 /nfs/dbraw/zinc/63/18/21/808631821.db2.gz IQMRPIIJAFUDTM-KGLIPLIRSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001263842224 809585717 /nfs/dbraw/zinc/58/57/17/809585717.db2.gz LGOWOTGZRVSWRB-BETUJISGSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001264403192 809652086 /nfs/dbraw/zinc/65/20/86/809652086.db2.gz HNBPQAVNQOMQAY-MCIONIFRSA-N 2 0 265.401 0.999 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001264423457 809655683 /nfs/dbraw/zinc/65/56/83/809655683.db2.gz WSNHIZFLWUWJBB-IHRRRGAJSA-N 2 0 283.391 0.784 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001265378407 809768257 /nfs/dbraw/zinc/76/82/57/809768257.db2.gz LBQDMNDHXJXXFL-UKRRQHHQSA-N 2 0 277.412 0.836 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001265783004 809851548 /nfs/dbraw/zinc/85/15/48/809851548.db2.gz FVOPZMLHXJMSKI-ZDUSSCGKSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265925040 809896238 /nfs/dbraw/zinc/89/62/38/809896238.db2.gz IJPQMMPGXHLRJX-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001267281190 811088895 /nfs/dbraw/zinc/08/88/95/811088895.db2.gz JWIJXXLUYNEPJX-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001268098832 812257389 /nfs/dbraw/zinc/25/73/89/812257389.db2.gz JFRNUZATCGWDIV-ZDUSSCGKSA-N 2 0 253.390 0.786 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268322781 812487896 /nfs/dbraw/zinc/48/78/96/812487896.db2.gz ZPHHSNJKKYDNMA-LSDHHAIUSA-N 2 0 297.443 0.751 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207684823 812562186 /nfs/dbraw/zinc/56/21/86/812562186.db2.gz UGHFWEFCMZLUMA-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028551334 812830025 /nfs/dbraw/zinc/83/00/25/812830025.db2.gz MMYGSPYGSLYOTF-SOUVJXGZSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544580 812832851 /nfs/dbraw/zinc/83/28/51/812832851.db2.gz GFOAVYHXSUFHRG-GDBMZVCRSA-N 2 0 289.423 0.790 20 30 CCEDRP C=CCC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001268612023 812947790 /nfs/dbraw/zinc/94/77/90/812947790.db2.gz CHBHYUCZWNBMGU-PLNGDYQASA-N 2 0 263.385 0.920 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268914791 813145779 /nfs/dbraw/zinc/14/57/79/813145779.db2.gz FPCHPOXWYNBDMR-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001269416021 813363388 /nfs/dbraw/zinc/36/33/88/813363388.db2.gz OPTVUYBXNLKIAM-QWHCGFSZSA-N 2 0 263.385 0.588 20 30 CCEDRP C=CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001028776660 813486228 /nfs/dbraw/zinc/48/62/28/813486228.db2.gz RSVLHHJUDRJWMV-CYBMUJFWSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001270051618 813603062 /nfs/dbraw/zinc/60/30/62/813603062.db2.gz ZJQZFUVBVVXSEJ-RBSFLKMASA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001270249660 813695458 /nfs/dbraw/zinc/69/54/58/813695458.db2.gz VSYSXBYLHUTBHG-ZDUSSCGKSA-N 2 0 265.401 0.931 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028997760 813740379 /nfs/dbraw/zinc/74/03/79/813740379.db2.gz ZKPBEGVABNRVCG-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001029003256 813746498 /nfs/dbraw/zinc/74/64/98/813746498.db2.gz JSQUIGXUCWPMAP-CQSZACIVSA-N 2 0 295.402 0.739 20 30 CCEDRP C#CC[NH2+]C[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001270602764 813834027 /nfs/dbraw/zinc/83/40/27/813834027.db2.gz HWDUIEIYYZCCNT-AWEZNQCLSA-N 2 0 265.401 0.838 20 30 CCEDRP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087828137 814226439 /nfs/dbraw/zinc/22/64/39/814226439.db2.gz BGJYIFOQSBLIJS-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001271160681 814252709 /nfs/dbraw/zinc/25/27/09/814252709.db2.gz XKUPSWJJDVBECD-UKRRQHHQSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001271701463 814517267 /nfs/dbraw/zinc/51/72/67/814517267.db2.gz YEXPKAXSNYJVOR-GJZGRUSLSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168135694 814716604 /nfs/dbraw/zinc/71/66/04/814716604.db2.gz BTKSZTHZDDDZEM-CQSZACIVSA-N 2 0 277.412 0.838 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001168136002 814717170 /nfs/dbraw/zinc/71/71/70/814717170.db2.gz DSXPKSMWMPTYMU-ZDUSSCGKSA-N 2 0 263.385 0.447 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983914 816202939 /nfs/dbraw/zinc/20/29/39/816202939.db2.gz VUJNHQSFIBQIPD-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001120773838 816216463 /nfs/dbraw/zinc/21/64/63/816216463.db2.gz HFBQVGNAMZONBY-ZDUSSCGKSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001272323186 816311763 /nfs/dbraw/zinc/31/17/63/816311763.db2.gz NXZHVJPZNNSURU-GJZGRUSLSA-N 2 0 289.423 0.980 20 30 CCEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257370 816493355 /nfs/dbraw/zinc/49/33/55/816493355.db2.gz XYAIJVWRINVUGO-QWHCGFSZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001272584377 816671370 /nfs/dbraw/zinc/67/13/70/816671370.db2.gz MXHOYBVJJJGEIP-LSDHHAIUSA-N 2 0 297.443 0.750 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780587 817625705 /nfs/dbraw/zinc/62/57/05/817625705.db2.gz DJDCONJUZWXVBE-MJBXVCDLSA-N 2 0 281.400 0.066 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675838 817980154 /nfs/dbraw/zinc/98/01/54/817980154.db2.gz ZZMXLJWZVVKRBO-RRFJBIMHSA-N 2 0 295.427 0.598 20 30 CCEDRP CN1CCN(C(=[NH2+])Nc2cccc(CC#N)n2)CC1 ZINC001168736447 818548268 /nfs/dbraw/zinc/54/82/68/818548268.db2.gz MKDGIJKXPMQYFO-UHFFFAOYSA-N 2 0 258.329 0.742 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033839846 818963748 /nfs/dbraw/zinc/96/37/48/818963748.db2.gz WCZNRNADENTVKO-QLFBSQMISA-N 2 0 277.412 0.883 20 30 CCEDRP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108182389 820088072 /nfs/dbraw/zinc/08/80/72/820088072.db2.gz GOTRWWADDCQVAI-HNNXBMFYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095977 820894073 /nfs/dbraw/zinc/89/40/73/820894073.db2.gz RVLTYYXSNJHLEB-HUUCEWRRSA-N 2 0 295.427 0.720 20 30 CCEDRP CN(c1ncc2c(c1C#N)CCC[NH2+]C2)C1C[NH2+]C1 ZINC001166977251 821364805 /nfs/dbraw/zinc/36/48/05/821364805.db2.gz QWBYNATYTULTOT-UHFFFAOYSA-N 2 0 257.341 0.397 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001085203826 821615017 /nfs/dbraw/zinc/61/50/17/821615017.db2.gz DTFBMAKIWXDLAD-KBUPBQIOSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001086045497 822089147 /nfs/dbraw/zinc/08/91/47/822089147.db2.gz LCFOTCVWYIDDLZ-XQQFMLRXSA-N 2 0 251.374 0.751 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129326770 822127077 /nfs/dbraw/zinc/12/70/77/822127077.db2.gz CRJVZTRDELYEDE-HNNXBMFYSA-N 2 0 295.427 0.320 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086254397 822175848 /nfs/dbraw/zinc/17/58/48/822175848.db2.gz YMJGBPIHWVKTQQ-BETUJISGSA-N 2 0 261.369 0.200 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCF)C2)CC1 ZINC001086278267 822185052 /nfs/dbraw/zinc/18/50/52/822185052.db2.gz OOLOBFAFFYKBBU-OTVXOJSOSA-N 2 0 295.402 0.786 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086368323 822226899 /nfs/dbraw/zinc/22/68/99/822226899.db2.gz ZTGVXUOHOPLJTN-BPLDGKMQSA-N 2 0 277.412 0.999 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001086398500 822236988 /nfs/dbraw/zinc/23/69/88/822236988.db2.gz LWSNKORKJYZHJB-SHTZXODSSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001086417555 822247231 /nfs/dbraw/zinc/24/72/31/822247231.db2.gz WZRQOTDQQLCEFS-HDJSIYSDSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001086456491 822265348 /nfs/dbraw/zinc/26/53/48/822265348.db2.gz JICKKQWVTRCXKD-KKUMJFAQSA-N 2 0 293.411 0.213 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189085 837720531 /nfs/dbraw/zinc/72/05/31/837720531.db2.gz NCWUQHIPQXPLNG-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113545444 837154928 /nfs/dbraw/zinc/15/49/28/837154928.db2.gz PJIBYQFHRNBNGW-UHFFFAOYSA-N 2 0 269.389 0.285 20 30 CCEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001113658454 837189314 /nfs/dbraw/zinc/18/93/14/837189314.db2.gz WGFPVORKWFNVHG-HNNXBMFYSA-N 2 0 295.427 0.818 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130711101 837900768 /nfs/dbraw/zinc/90/07/68/837900768.db2.gz NKMWPWDWVVXUGB-HNNXBMFYSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835244 838244530 /nfs/dbraw/zinc/24/45/30/838244530.db2.gz QADWNQCBVMOXKH-UHFFFAOYSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283660 838350376 /nfs/dbraw/zinc/35/03/76/838350376.db2.gz BPIGYDSPCCVETH-UHFFFAOYSA-N 2 0 283.416 0.769 20 30 CCEDRP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272799 838352287 /nfs/dbraw/zinc/35/22/87/838352287.db2.gz BSPPTTVAFXBVTP-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886065 838511201 /nfs/dbraw/zinc/51/12/01/838511201.db2.gz BESYGBWCYQPCHM-STQMWFEESA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886456 838513430 /nfs/dbraw/zinc/51/34/30/838513430.db2.gz NCNGFORFFVDKEU-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185073318 844339419 /nfs/dbraw/zinc/33/94/19/844339419.db2.gz PQVYMBVVGLMVAW-KGLIPLIRSA-N 2 0 265.401 0.646 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133853637 838740573 /nfs/dbraw/zinc/74/05/73/838740573.db2.gz MZQUXIRGZSAGBG-JTQLQIEISA-N 2 0 259.781 0.787 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133862735 838753134 /nfs/dbraw/zinc/75/31/34/838753134.db2.gz FRVHYEQVBZUOHV-STQMWFEESA-N 2 0 269.389 0.093 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265323 844389424 /nfs/dbraw/zinc/38/94/24/844389424.db2.gz PTOJLEKUVWSTTG-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134759178 839064598 /nfs/dbraw/zinc/06/45/98/839064598.db2.gz HDEXJCDMCVTIIH-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CN(C)/C=[NH+]/c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1C#N ZINC001170779107 839109304 /nfs/dbraw/zinc/10/93/04/839109304.db2.gz BUITUESUMNBQOF-LMACKTMKSA-N 2 0 287.367 0.772 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390645 839241767 /nfs/dbraw/zinc/24/17/67/839241767.db2.gz LWWCRPJIPFMPRW-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135743158 839387855 /nfs/dbraw/zinc/38/78/55/839387855.db2.gz GBCQTCLUNCOZDS-LSDHHAIUSA-N 2 0 297.443 0.851 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923125 839472651 /nfs/dbraw/zinc/47/26/51/839472651.db2.gz HMQADOGFMZTIDO-KBPBESRZSA-N 2 0 283.416 0.461 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659014 844441981 /nfs/dbraw/zinc/44/19/81/844441981.db2.gz BIYVZMMZCXYLHW-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001136649943 839692639 /nfs/dbraw/zinc/69/26/39/839692639.db2.gz KIOJIUGKZCFWHZ-UHFFFAOYSA-N 2 0 296.459 0.589 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001091030374 839993832 /nfs/dbraw/zinc/99/38/32/839993832.db2.gz JLKBDZCSIZNVAD-ZALBZXLWSA-N 2 0 275.396 0.446 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176169849 842334322 /nfs/dbraw/zinc/33/43/22/842334322.db2.gz OGHLEWSSDZKCHR-CYBMUJFWSA-N 2 0 269.389 0.237 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178355767 842830213 /nfs/dbraw/zinc/83/02/13/842830213.db2.gz BUSQZPYXGYTGEU-SOUVJXGZSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179976142 843088488 /nfs/dbraw/zinc/08/84/88/843088488.db2.gz IQBSMOFBRIDEKW-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138925 843106387 /nfs/dbraw/zinc/10/63/87/843106387.db2.gz RMGYNLFLUYBRHH-KKUMJFAQSA-N 2 0 295.427 0.720 20 30 CCEDRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC#Cc1ccccc1 ZINC001151097782 843759415 /nfs/dbraw/zinc/75/94/15/843759415.db2.gz RXPNAKSXMJQYIX-UHFFFAOYSA-N 2 0 285.391 0.840 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001182964233 843941584 /nfs/dbraw/zinc/94/15/84/843941584.db2.gz JYIDINQUCJYUKW-KGLIPLIRSA-N 2 0 283.391 0.880 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268786 843997448 /nfs/dbraw/zinc/99/74/48/843997448.db2.gz XJCBUAPQISPNEQ-CABCVRRESA-N 2 0 293.411 0.167 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189819939 845216298 /nfs/dbraw/zinc/21/62/98/845216298.db2.gz GDNLNJXRPNLCEP-LSDHHAIUSA-N 2 0 293.411 0.121 20 30 CCEDRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1)[NH+](C)C ZINC001192386862 845835304 /nfs/dbraw/zinc/83/53/04/845835304.db2.gz SGYHUDBMSVTKFS-CABCVRRESA-N 2 0 295.427 0.509 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197914573 847002149 /nfs/dbraw/zinc/00/21/49/847002149.db2.gz XWSNYQAEGUYQQS-UHFFFAOYSA-N 2 0 265.401 0.886 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198004131 847015620 /nfs/dbraw/zinc/01/56/20/847015620.db2.gz VSJPZZMOAPPUPP-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198048627 847026691 /nfs/dbraw/zinc/02/66/91/847026691.db2.gz XSQGBLSONKOGMM-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201052627 847719464 /nfs/dbraw/zinc/71/94/64/847719464.db2.gz GTVDBWIQKIZUTP-HNNXBMFYSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201514559 847786441 /nfs/dbraw/zinc/78/64/41/847786441.db2.gz HDDCPDWHAWHYIT-ZDUSSCGKSA-N 2 0 278.356 0.345 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059478 847851398 /nfs/dbraw/zinc/85/13/98/847851398.db2.gz PWTVOPBPSNZABY-UONOGXRCSA-N 2 0 281.400 0.331 20 30 CCEDRP CC[C@@H](C(=O)N1CCC([NH2+]CC#CCOC)CC1)[NH+](C)C ZINC001202532327 848077023 /nfs/dbraw/zinc/07/70/23/848077023.db2.gz XMQDEYLZKJGEDW-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274289894 848441019 /nfs/dbraw/zinc/44/10/19/848441019.db2.gz YKLCWGRERCOHKW-RGDDUWESSA-N 2 0 293.411 0.383 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001274841253 848574876 /nfs/dbraw/zinc/57/48/76/848574876.db2.gz QWIUWKUUBVBSMS-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001274835389 848576193 /nfs/dbraw/zinc/57/61/93/848576193.db2.gz MCTJQKLFLGAMKT-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP CC#CC[NH2+]CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001276306441 849200556 /nfs/dbraw/zinc/20/05/56/849200556.db2.gz UKHJUZJZCOCZFK-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046198243 851417014 /nfs/dbraw/zinc/41/70/14/851417014.db2.gz UCXOEQHOFBCRMW-DZGCQCFKSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046830831 851626379 /nfs/dbraw/zinc/62/63/79/851626379.db2.gz BSIVAXGHPKDTII-UKRRQHHQSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047513963 851795855 /nfs/dbraw/zinc/79/58/55/851795855.db2.gz SJPUTEPCVLRFCR-GJZGRUSLSA-N 2 0 295.427 0.408 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627332 851838148 /nfs/dbraw/zinc/83/81/48/851838148.db2.gz OLNXREWLDSYTOM-GJZGRUSLSA-N 2 0 295.427 0.552 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048828919 852076007 /nfs/dbraw/zinc/07/60/07/852076007.db2.gz DXZXBHTYCXWZRA-LVQVYYBASA-N 2 0 289.423 0.740 20 30 CCEDRP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C1 ZINC001048897017 852101853 /nfs/dbraw/zinc/10/18/53/852101853.db2.gz NVUFMEBXLGFPIZ-XHSDSOJGSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cncc3C)C[C@H]2C1 ZINC001048938907 852115024 /nfs/dbraw/zinc/11/50/24/852115024.db2.gz UAUZUXSYMWMORA-GASCZTMLSA-N 2 0 286.379 0.605 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049170641 852182883 /nfs/dbraw/zinc/18/28/83/852182883.db2.gz AFWQPJDVLJJDFA-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C ZINC001049369479 852243889 /nfs/dbraw/zinc/24/38/89/852243889.db2.gz OXMQSTRJAKQSBK-RRFJBIMHSA-N 2 0 275.396 0.779 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049889608 852390288 /nfs/dbraw/zinc/39/02/88/852390288.db2.gz HHSJAKZGHURKRD-RRFJBIMHSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001097847047 852631638 /nfs/dbraw/zinc/63/16/38/852631638.db2.gz RUVIXAQWOQSJRD-YJNKXOJESA-N 2 0 275.396 0.825 20 30 CCEDRP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCC1=O ZINC001254668571 852904227 /nfs/dbraw/zinc/90/42/27/852904227.db2.gz GVTLGSSDCDEPLH-UONOGXRCSA-N 2 0 278.400 0.775 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001054748509 853008179 /nfs/dbraw/zinc/00/81/79/853008179.db2.gz NOJCRYQLFBKDRX-GXTWGEPZSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743470 854455782 /nfs/dbraw/zinc/45/57/82/854455782.db2.gz PSXVMWNWOMMSPF-HNNXBMFYSA-N 2 0 287.407 0.496 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072983506 854509260 /nfs/dbraw/zinc/50/92/60/854509260.db2.gz YNRDCFGZWWOCDZ-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073554564 854592309 /nfs/dbraw/zinc/59/23/09/854592309.db2.gz JAGDVIQIZJHYEX-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073890335 854659948 /nfs/dbraw/zinc/65/99/48/854659948.db2.gz CGXFKCBLUDBWBD-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099878918 855017477 /nfs/dbraw/zinc/01/74/77/855017477.db2.gz BGRBTJOMOJXXPF-HUUCEWRRSA-N 2 0 295.427 0.598 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131556 855103582 /nfs/dbraw/zinc/10/35/82/855103582.db2.gz FIOHQENQKHXTID-GJZGRUSLSA-N 2 0 297.443 0.844 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185590 855113698 /nfs/dbraw/zinc/11/36/98/855113698.db2.gz HCEGDXSPQBOOOV-YMAMQOFZSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112008027 855609933 /nfs/dbraw/zinc/60/99/33/855609933.db2.gz PGJZNMGFJVTACA-HOCLYGCPSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115074754 855639714 /nfs/dbraw/zinc/63/97/14/855639714.db2.gz RVMHVGALJOBGRA-IMRBUKKESA-N 2 0 251.374 0.561 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115299550 855659645 /nfs/dbraw/zinc/65/96/45/855659645.db2.gz AHQNOHYMIZIVQT-NHAGDIPZSA-N 2 0 265.401 0.949 20 30 CCEDRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001118257965 856227975 /nfs/dbraw/zinc/22/79/75/856227975.db2.gz KCPUOSYCRGPGGE-ZDUSSCGKSA-N 2 0 266.389 0.856 20 30 CCEDRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001118384044 856285082 /nfs/dbraw/zinc/28/50/82/856285082.db2.gz PCXKOJDHXRXHJE-STQMWFEESA-N 2 0 266.389 0.856 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCC2 ZINC001119370153 856657703 /nfs/dbraw/zinc/65/77/03/856657703.db2.gz HXDZLKCPIKNZJR-GFCCVEGCSA-N 2 0 264.373 0.752 20 30 CCEDRP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816249 912252612 /nfs/dbraw/zinc/25/26/12/912252612.db2.gz DTBWDAJFXBLJTG-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP COCC#CCN1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001323358371 912290201 /nfs/dbraw/zinc/29/02/01/912290201.db2.gz SHRBQZOYFKKDGK-CQSZACIVSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CC[N@@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001323748210 912505303 /nfs/dbraw/zinc/50/53/03/912505303.db2.gz FXZLFSGWYQKAOI-UHFFFAOYSA-N 2 0 295.427 0.511 20 30 CCEDRP CN1CCN(c2ccc(C=[NH+]NCCO)cc2F)CC1 ZINC001324259039 912742589 /nfs/dbraw/zinc/74/25/89/912742589.db2.gz ZLKPCZADXPBRQV-UHFFFAOYSA-N 2 0 280.347 0.493 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCOCC1 ZINC001325005993 913145314 /nfs/dbraw/zinc/14/53/14/913145314.db2.gz WVKJIFHVVXIRNZ-CQSZACIVSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001325100413 913213754 /nfs/dbraw/zinc/21/37/54/913213754.db2.gz ARTZZIBVDHSANI-INIZCTEOSA-N 2 0 293.411 0.047 20 30 CCEDRP C=CCCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001325161802 913250955 /nfs/dbraw/zinc/25/09/55/913250955.db2.gz QBLKUVPULREDJB-INIZCTEOSA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325458267 913414518 /nfs/dbraw/zinc/41/45/18/913414518.db2.gz VWMZDUHACXMUKH-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001325771733 913570229 /nfs/dbraw/zinc/57/02/29/913570229.db2.gz BGSLJYFPZQPSMK-GASCZTMLSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001480979841 892007666 /nfs/dbraw/zinc/00/76/66/892007666.db2.gz YSJWUEWCNMSQOP-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCCCN1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481592903 892877877 /nfs/dbraw/zinc/87/78/77/892877877.db2.gz SWKHGSGPIBIJJY-UHFFFAOYSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001326134161 913765059 /nfs/dbraw/zinc/76/50/59/913765059.db2.gz BJFGPLKOAUJADC-HUUCEWRRSA-N 2 0 297.443 0.703 20 30 CCEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001482139482 893433054 /nfs/dbraw/zinc/43/30/54/893433054.db2.gz WIOBXZCLEKYMCP-GFCCVEGCSA-N 2 0 253.390 0.856 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482269199 893719777 /nfs/dbraw/zinc/71/97/77/893719777.db2.gz LTAHVBFGFOEDHI-NEPJUHHUSA-N 2 0 289.807 0.506 20 30 CCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001482518355 894176245 /nfs/dbraw/zinc/17/62/45/894176245.db2.gz OWPGNAUYWVTLCO-LSDHHAIUSA-N 2 0 295.427 0.461 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001326288629 913869689 /nfs/dbraw/zinc/86/96/89/913869689.db2.gz OXMWWMRFBDWYSL-SRVKXCTJSA-N 2 0 250.346 0.218 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001483147304 895026192 /nfs/dbraw/zinc/02/61/92/895026192.db2.gz GMFVPDSTEATXMJ-CYBMUJFWSA-N 2 0 297.362 0.999 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172374 895060747 /nfs/dbraw/zinc/06/07/47/895060747.db2.gz NOLGUMQRZQFLDT-CYBMUJFWSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001483764848 896029262 /nfs/dbraw/zinc/02/92/62/896029262.db2.gz PSIOCEIIBMWCIA-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484976039 896692378 /nfs/dbraw/zinc/69/23/78/896692378.db2.gz KUELSNUZPLXLKW-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485018218 896719950 /nfs/dbraw/zinc/71/99/50/896719950.db2.gz AHHYTKQXDREFOW-ZIAGYGMSSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032453037 897585031 /nfs/dbraw/zinc/58/50/31/897585031.db2.gz NFJXALYSPBTLME-JYJNAYRXSA-N 2 0 287.407 0.779 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032734098 898030551 /nfs/dbraw/zinc/03/05/51/898030551.db2.gz WUIYPQDRUVYCEV-KBPBESRZSA-N 2 0 275.396 0.943 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078006016 898175727 /nfs/dbraw/zinc/17/57/27/898175727.db2.gz PTIDKMSYARFBEO-RRFJBIMHSA-N 2 0 295.427 0.456 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001485899982 898511142 /nfs/dbraw/zinc/51/11/42/898511142.db2.gz ZMORFOSPVNTJMH-CYBMUJFWSA-N 2 0 297.362 0.951 20 30 CCEDRP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001486336306 898797549 /nfs/dbraw/zinc/79/75/49/898797549.db2.gz HWIJMLOUDXGERQ-HUUCEWRRSA-N 2 0 297.443 0.798 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001327131456 914390560 /nfs/dbraw/zinc/39/05/60/914390560.db2.gz RUMXZGXMRJPWNL-NEPJUHHUSA-N 2 0 264.373 0.656 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1OCC ZINC001489002548 900423050 /nfs/dbraw/zinc/42/30/50/900423050.db2.gz KDSLJWNNUPWKLR-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280660428 900874381 /nfs/dbraw/zinc/87/43/81/900874381.db2.gz XZNONNFDCPFYAH-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001319460414 900884638 /nfs/dbraw/zinc/88/46/38/900884638.db2.gz LVBJQKRCPJSSKW-ZDUSSCGKSA-N 2 0 291.399 0.128 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001280681626 900919023 /nfs/dbraw/zinc/91/90/23/900919023.db2.gz KFHKOXMFZVJFFG-OAHLLOKOSA-N 2 0 293.411 0.313 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001282187031 904428534 /nfs/dbraw/zinc/42/85/34/904428534.db2.gz YIPPZDAQCSRKGW-CHWSQXEVSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001282875795 904558203 /nfs/dbraw/zinc/55/82/03/904558203.db2.gz SDHSQAXVHNBCOH-QKDCVEJESA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001284976098 905516912 /nfs/dbraw/zinc/51/69/12/905516912.db2.gz AVOFBZONHYLNIC-CQSZACIVSA-N 2 0 263.385 0.708 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC001293382415 906464651 /nfs/dbraw/zinc/46/46/51/906464651.db2.gz DOSXVRJXSNMARD-UHFFFAOYSA-N 2 0 251.374 0.801 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001317244756 907995376 /nfs/dbraw/zinc/99/53/76/907995376.db2.gz MEMLTULSDPODNF-QWHCGFSZSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317332700 908155114 /nfs/dbraw/zinc/15/51/14/908155114.db2.gz CZDCLNBHNNLXQE-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C)CC1 ZINC001337482440 908157721 /nfs/dbraw/zinc/15/77/21/908157721.db2.gz SVJFZJSTVFQKHU-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317414229 908211600 /nfs/dbraw/zinc/21/16/00/908211600.db2.gz OMZHKFNSVLVTJH-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001341643068 908643281 /nfs/dbraw/zinc/64/32/81/908643281.db2.gz LGJMZUZLLHXZFP-YNEHKIRRSA-N 2 0 264.373 0.335 20 30 CCEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001341642898 908644133 /nfs/dbraw/zinc/64/41/33/908644133.db2.gz LGJMZUZLLHXZFP-FRRDWIJNSA-N 2 0 264.373 0.335 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317412142 909186359 /nfs/dbraw/zinc/18/63/59/909186359.db2.gz JCIUOIRCCFQHHY-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001317605849 909397975 /nfs/dbraw/zinc/39/79/75/909397975.db2.gz RDLDAGOOFAPQCA-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317811773 909508434 /nfs/dbraw/zinc/50/84/34/909508434.db2.gz QLZQUZNVYKQTMU-GJZGRUSLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317811774 909508498 /nfs/dbraw/zinc/50/84/98/909508498.db2.gz QLZQUZNVYKQTMU-HUUCEWRRSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318429507 909755152 /nfs/dbraw/zinc/75/51/52/909755152.db2.gz RWYQMQXAKVLTOJ-KBPBESRZSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862849 910323481 /nfs/dbraw/zinc/32/34/81/910323481.db2.gz HQBUMBXQUOTGTQ-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862848 910325939 /nfs/dbraw/zinc/32/59/39/910325939.db2.gz HQBUMBXQUOTGTQ-HUUCEWRRSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001319915830 910352069 /nfs/dbraw/zinc/35/20/69/910352069.db2.gz LVGJIADIOXIDJM-MCIONIFRSA-N 2 0 265.401 0.690 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001321105921 911087824 /nfs/dbraw/zinc/08/78/24/911087824.db2.gz HRNNJACVVLIFPZ-CKXPSTMWSA-N 2 0 265.401 0.858 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001322191558 911703669 /nfs/dbraw/zinc/70/36/69/911703669.db2.gz BZRAHUGTNLWBEI-QWHCGFSZSA-N 2 0 274.368 0.515 20 30 CCEDRP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+](C)C ZINC001328694001 915357686 /nfs/dbraw/zinc/35/76/86/915357686.db2.gz OTUGODSQAXJDJP-NVXWUHKLSA-N 2 0 285.391 0.943 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001329105682 915675095 /nfs/dbraw/zinc/67/50/95/915675095.db2.gz BGJQQQXRLMNRPT-QWHCGFSZSA-N 2 0 269.389 0.071 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001329569287 916019556 /nfs/dbraw/zinc/01/95/56/916019556.db2.gz OGCYUVXCFIJYOH-CQSZACIVSA-N 2 0 295.431 0.150 20 30 CCEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001330049597 916382182 /nfs/dbraw/zinc/38/21/82/916382182.db2.gz VSRRGIVAKVOBHC-GFCCVEGCSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001330360863 916577993 /nfs/dbraw/zinc/57/79/93/916577993.db2.gz UMZJPKKSACXURR-ZQDZILKHSA-N 2 0 275.396 0.255 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1=CC[NH2+]CC1)C2 ZINC001331321979 917262798 /nfs/dbraw/zinc/26/27/98/917262798.db2.gz GYNPNHCCHHOKSR-JVWICGRDSA-N 2 0 274.368 0.162 20 30 CCEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cncc1C ZINC001331505260 917377395 /nfs/dbraw/zinc/37/73/95/917377395.db2.gz UXCYVIJGWWLACR-NSHDSACASA-N 2 0 250.346 0.814 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001331806994 917624505 /nfs/dbraw/zinc/62/45/05/917624505.db2.gz XTPHMMQJGUHRLA-HNNXBMFYSA-N 2 0 291.395 0.615 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H]1C ZINC001331916194 917712502 /nfs/dbraw/zinc/71/25/02/917712502.db2.gz DVQJBXOPDBFRGX-OLZOCXBDSA-N 2 0 251.374 0.540 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001332262259 918004762 /nfs/dbraw/zinc/00/47/62/918004762.db2.gz LHYVXBLQOPVRIS-UHFFFAOYSA-N 2 0 283.335 0.562 20 30 CCEDRP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001332679473 918377223 /nfs/dbraw/zinc/37/72/23/918377223.db2.gz ZPJHTQACSQQKQZ-AWEZNQCLSA-N 2 0 295.427 0.409 20 30 CCEDRP CC#CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001333107004 918657806 /nfs/dbraw/zinc/65/78/06/918657806.db2.gz GGLXQFHVKBNSPT-UHFFFAOYSA-N 2 0 277.412 0.931 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]([NH3+])C1)C2 ZINC001333641833 919064809 /nfs/dbraw/zinc/06/48/09/919064809.db2.gz DDCFCXOXIVDPNG-CBKZZEEASA-N 2 0 262.357 0.075 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336712733 920945421 /nfs/dbraw/zinc/94/54/21/920945421.db2.gz HBOIBGUBUYPLGO-CYBMUJFWSA-N 2 0 294.399 0.379 20 30 CCEDRP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001336763032 920988913 /nfs/dbraw/zinc/98/89/13/920988913.db2.gz LTPWQUIXYAYDKI-OLZOCXBDSA-N 2 0 251.374 0.973 20 30 CCEDRP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001336763033 920988980 /nfs/dbraw/zinc/98/89/80/920988980.db2.gz LTPWQUIXYAYDKI-QWHCGFSZSA-N 2 0 251.374 0.973 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)O)C(C)C ZINC001340173472 921993966 /nfs/dbraw/zinc/99/39/66/921993966.db2.gz SGBNAELAPMZHSF-ZIAGYGMSSA-N 2 0 297.443 0.899 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001340241925 922021826 /nfs/dbraw/zinc/02/18/26/922021826.db2.gz RRGPXMBOFMXQLU-AWEZNQCLSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC001340706839 922178184 /nfs/dbraw/zinc/17/81/84/922178184.db2.gz AZNXRFKVMWOZFG-LLVKDONJSA-N 2 0 265.361 0.809 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341037871 922323116 /nfs/dbraw/zinc/32/31/16/922323116.db2.gz SVQKFLKLDSTVKK-LLVKDONJSA-N 2 0 280.372 0.056 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341272703 922403927 /nfs/dbraw/zinc/40/39/27/922403927.db2.gz VINQGQJCOKOQOJ-TUAOUCFPSA-N 2 0 250.346 0.075 20 30 CCEDRP C#CC[NH2+]CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001341336123 922431903 /nfs/dbraw/zinc/43/19/03/922431903.db2.gz CHOMIYYYRCXJBK-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001342091565 922802769 /nfs/dbraw/zinc/80/27/69/922802769.db2.gz ZPEHZYRMUJKYJA-GDBMZVCRSA-N 2 0 275.396 0.719 20 30 CCEDRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C#CC1CC[NH2+]CC1 ZINC001342555953 923001136 /nfs/dbraw/zinc/00/11/36/923001136.db2.gz QEJHHRGKRWDRJZ-RWMBFGLXSA-N 2 0 263.385 0.587 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001343712509 923437383 /nfs/dbraw/zinc/43/73/83/923437383.db2.gz BZYPQRTZSIXRLI-NWDGAFQWSA-N 2 0 271.430 0.881 20 30 CCEDRP CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC[NH2+]CC1 ZINC001343731223 923446359 /nfs/dbraw/zinc/44/63/59/923446359.db2.gz GYHZHSGROFEYKA-CYBMUJFWSA-N 2 0 266.389 0.998 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001344128897 923557598 /nfs/dbraw/zinc/55/75/98/923557598.db2.gz XZJCDSNFDXHFJK-VHSXEESVSA-N 2 0 277.290 0.195 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CCC[NH2+]1 ZINC001344877146 923718573 /nfs/dbraw/zinc/71/85/73/923718573.db2.gz OGZAUYLNHBUURY-MBNYWOFBSA-N 2 0 251.374 0.894 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N(CC[NH3+])CC(F)(F)F ZINC001349840039 925074778 /nfs/dbraw/zinc/07/47/78/925074778.db2.gz PCXAJGLFTKZJSS-QMMMGPOBSA-N 2 0 266.267 0.357 20 30 CCEDRP C#CCN(C(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC001353466754 925841934 /nfs/dbraw/zinc/84/19/34/925841934.db2.gz HHSIISCYYFFBBX-UHFFFAOYSA-N 2 0 264.373 0.217 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001355187114 926226414 /nfs/dbraw/zinc/22/64/14/926226414.db2.gz QDQSGYQAYQRWRH-GXTWGEPZSA-N 2 0 264.373 0.752 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001357660112 926579300 /nfs/dbraw/zinc/57/93/00/926579300.db2.gz MCSNMFMAVLZFLR-NEPJUHHUSA-N 2 0 284.429 0.609 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261992368 352569230 /nfs/dbraw/zinc/56/92/30/352569230.db2.gz MNIXDEGWIQIPET-LBPRGKRZSA-N 2 0 296.415 0.708 20 30 CCEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](CCO)CC2)n1 ZINC000352820362 356089555 /nfs/dbraw/zinc/08/95/55/356089555.db2.gz CNKCWIBERXNXBU-UHFFFAOYSA-N 2 0 280.397 0.809 20 30 CCEDRP C[NH+]1CCN(CCC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352823411 356090094 /nfs/dbraw/zinc/09/00/94/356090094.db2.gz NCMOXDVNYCXYPA-UHFFFAOYSA-N 2 0 279.413 0.742 20 30 CCEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)CC2 ZINC000568987633 358723148 /nfs/dbraw/zinc/72/31/48/358723148.db2.gz GQZNOGGXBCUBDG-OAHLLOKOSA-N 2 0 284.363 0.567 20 30 CCEDRP C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1CC[NH+](C)CC1 ZINC000591739753 359651304 /nfs/dbraw/zinc/65/13/04/359651304.db2.gz ZHLRUHCYXMBDLR-HIFRSBDPSA-N 2 0 282.432 0.513 20 30 CCEDRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000592143767 359764487 /nfs/dbraw/zinc/76/44/87/359764487.db2.gz MSFPDZBNQVDOFG-STQMWFEESA-N 2 0 266.389 0.998 20 30 CCEDRP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594436687 360305951 /nfs/dbraw/zinc/30/59/51/360305951.db2.gz PNJMHSQLGMRHBZ-CQSZACIVSA-N 2 0 296.415 0.578 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000594426611 360300915 /nfs/dbraw/zinc/30/09/15/360300915.db2.gz PWNQNKWGKMLWIS-NEPJUHHUSA-N 2 0 252.362 0.656 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438740 360306920 /nfs/dbraw/zinc/30/69/20/360306920.db2.gz LDRZYSGNFBHAOF-IJLUTSLNSA-N 2 0 252.362 0.512 20 30 CCEDRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438560 360307273 /nfs/dbraw/zinc/30/72/73/360307273.db2.gz OJZYLBMTEXWXPK-OLZOCXBDSA-N 2 0 282.388 0.235 20 30 CCEDRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C ZINC000594442784 360312070 /nfs/dbraw/zinc/31/20/70/360312070.db2.gz VGJSMNBPGLBWPO-SRVKXCTJSA-N 2 0 252.362 0.606 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000594449743 360314949 /nfs/dbraw/zinc/31/49/49/360314949.db2.gz MQAZTDDZSORTEE-IJLUTSLNSA-N 2 0 252.362 0.784 20 30 CCEDRP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C[NH3+])C1CC1 ZINC000594455651 360316860 /nfs/dbraw/zinc/31/68/60/360316860.db2.gz AQMYRYRZIBRXQV-NEPJUHHUSA-N 2 0 252.362 0.593 20 30 CCEDRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000595999133 360771186 /nfs/dbraw/zinc/77/11/86/360771186.db2.gz LENPEYMRVREJAR-KBPBESRZSA-N 2 0 296.415 0.577 20 30 CCEDRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000595999135 360771201 /nfs/dbraw/zinc/77/12/01/360771201.db2.gz LENPEYMRVREJAR-UONOGXRCSA-N 2 0 296.415 0.577 20 30 CCEDRP C=CCCn1cc(CN2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000655941136 412708691 /nfs/dbraw/zinc/70/86/91/412708691.db2.gz MVZWFVIHQMNKCJ-HNNXBMFYSA-N 2 0 290.415 0.334 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000626970888 368703351 /nfs/dbraw/zinc/70/33/51/368703351.db2.gz WOENOORIOCWHSJ-UHFFFAOYSA-N 2 0 298.431 0.514 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000491810867 262086817 /nfs/dbraw/zinc/08/68/17/262086817.db2.gz ALXVMGJNAYIXQA-QWHCGFSZSA-N 2 0 266.389 0.320 20 30 CCEDRP C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261965268 389278975 /nfs/dbraw/zinc/27/89/75/389278975.db2.gz LGODPCLSUZOJQD-GXTWGEPZSA-N 2 0 290.415 0.531 20 30 CCEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)N1 ZINC000262624979 389290465 /nfs/dbraw/zinc/29/04/65/389290465.db2.gz DGALIJBJYOEYKK-IUODEOHRSA-N 2 0 288.395 0.691 20 30 CCEDRP CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000264138911 389308587 /nfs/dbraw/zinc/30/85/87/389308587.db2.gz VULGJXLBTVIOAC-UHFFFAOYSA-N 2 0 250.346 0.661 20 30 CCEDRP C[C@@H]1CC[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000421010495 389347550 /nfs/dbraw/zinc/34/75/50/389347550.db2.gz IXXKXOJHFAHQDG-WCVJEAGWSA-N 2 0 280.412 0.680 20 30 CCEDRP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1C#N ZINC000276724838 389533395 /nfs/dbraw/zinc/53/33/95/389533395.db2.gz BZSXTKDWQFQOGJ-UHFFFAOYSA-N 2 0 262.357 0.443 20 30 CCEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1CC[N@H+](C)C1 ZINC000176363114 389556400 /nfs/dbraw/zinc/55/64/00/389556400.db2.gz ATBMVORHIAVJHG-CYBMUJFWSA-N 2 0 292.431 0.654 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417526501 389826965 /nfs/dbraw/zinc/82/69/65/389826965.db2.gz MDJDTTAXWOOYRD-UHFFFAOYSA-N 2 0 266.389 0.817 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000491804752 390116986 /nfs/dbraw/zinc/11/69/86/390116986.db2.gz MJAIWIYFUIMLCF-ZDUSSCGKSA-N 2 0 251.374 0.400 20 30 CCEDRP C=CC[C@@]1(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CCC[NH2+]1 ZINC000662778815 414784619 /nfs/dbraw/zinc/78/46/19/414784619.db2.gz JFHOZHPJXWITSO-CABCVRRESA-N 2 0 281.400 0.570 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662683109 414740863 /nfs/dbraw/zinc/74/08/63/414740863.db2.gz VTGOFRXUAYXNOO-TZMCWYRMSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665275191 415583790 /nfs/dbraw/zinc/58/37/90/415583790.db2.gz FANQAUWDUGCQQV-HZSPNIEDSA-N 2 0 254.374 0.936 20 30 CCEDRP CC1(C)C[NH+](CC#CC[N@@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000342181642 263394209 /nfs/dbraw/zinc/39/42/09/263394209.db2.gz ZWYZIDPGDPPLAJ-KBPBESRZSA-N 2 0 280.412 0.395 20 30 CCEDRP C[NH+](C)CCCOc1cnccc1CNC(=[NH2+])NC1CC1 ZINC000288662822 328253247 /nfs/dbraw/zinc/25/32/47/328253247.db2.gz GTPHTMHKGPYPHB-UHFFFAOYSA-N 2 0 291.399 0.979 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178768862 329200284 /nfs/dbraw/zinc/20/02/84/329200284.db2.gz RPFIMRCNYLIJKH-LBPRGKRZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCN1CC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)C1=O ZINC000420295169 329760008 /nfs/dbraw/zinc/76/00/08/329760008.db2.gz PCNJNKXQLHPOKJ-YPMHNXCESA-N 2 0 251.374 0.833 20 30 CCEDRP CN1CC[NH+]=C1NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000262200913 330003930 /nfs/dbraw/zinc/00/39/30/330003930.db2.gz ATYYKTZAGVMYRC-UHFFFAOYSA-N 2 0 293.459 0.828 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262434041 330010542 /nfs/dbraw/zinc/01/05/42/330010542.db2.gz FUBOQIYZFDCCSF-VXGBXAGGSA-N 2 0 254.378 0.506 20 30 CCEDRP C=CCNC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1 ZINC000262483102 330016931 /nfs/dbraw/zinc/01/69/31/330016931.db2.gz ZSPJJBVNKMFSHV-UHFFFAOYSA-N 2 0 266.389 0.722 20 30 CCEDRP C[C@H]1CN(C(=[NH2+])NCC2([NH+](C)C)CCC2)CCO1 ZINC000262492328 330017244 /nfs/dbraw/zinc/01/72/44/330017244.db2.gz VHZIBACLDPHHAQ-NSHDSACASA-N 2 0 254.378 0.506 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133071 330265373 /nfs/dbraw/zinc/26/53/73/330265373.db2.gz IVWKWAYAIOQFAQ-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424135255 330269448 /nfs/dbraw/zinc/26/94/48/330269448.db2.gz OPMKJAGRWMGITF-NWDGAFQWSA-N 2 0 252.362 0.464 20 30 CCEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424137631 330275130 /nfs/dbraw/zinc/27/51/30/330275130.db2.gz SJAQXXKXJSKYNP-QWHCGFSZSA-N 2 0 266.389 0.808 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424157116 330304549 /nfs/dbraw/zinc/30/45/49/330304549.db2.gz PGMFLIZHMJUVFX-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000490616306 332095912 /nfs/dbraw/zinc/09/59/12/332095912.db2.gz JZJMREBWDGKAFW-UHFFFAOYSA-N 2 0 295.427 0.368 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000491420873 332208624 /nfs/dbraw/zinc/20/86/24/332208624.db2.gz YTUFATKUOIJYEK-UHFFFAOYSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCNC(=O)CC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000491616999 332243859 /nfs/dbraw/zinc/24/38/59/332243859.db2.gz AMYXOXGPDJEOSY-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000491619133 332245250 /nfs/dbraw/zinc/24/52/50/332245250.db2.gz BPGJFGUOFZVYGV-UHFFFAOYSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000491626668 332250390 /nfs/dbraw/zinc/25/03/90/332250390.db2.gz LPUMMGAMACZOGC-ZDUSSCGKSA-N 2 0 268.405 0.581 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000491658338 332269343 /nfs/dbraw/zinc/26/93/43/332269343.db2.gz VZKYYOSCHBYXRW-AWEZNQCLSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000491663676 332272838 /nfs/dbraw/zinc/27/28/38/332272838.db2.gz HEGQJSISRYCLEX-ZIAGYGMSSA-N 2 0 280.416 0.629 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000491671704 332278445 /nfs/dbraw/zinc/27/84/45/332278445.db2.gz XHXMEIGOEVMEPX-HNNXBMFYSA-N 2 0 278.400 0.337 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491733362 332314725 /nfs/dbraw/zinc/31/47/25/332314725.db2.gz NZIXAUQXBCNBMD-OLZOCXBDSA-N 2 0 251.374 0.588 20 30 CCEDRP C=CCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530220766 333528705 /nfs/dbraw/zinc/52/87/05/333528705.db2.gz AZEIABWVJMWCJD-UHFFFAOYSA-N 2 0 252.362 0.205 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C#N)ccn1 ZINC000554578781 334440487 /nfs/dbraw/zinc/44/04/87/334440487.db2.gz QMDTWXXGTMURIK-UHFFFAOYSA-N 2 0 289.383 0.519 20 30 CCEDRP N#CCC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000577172121 335314339 /nfs/dbraw/zinc/31/43/39/335314339.db2.gz IXLZAMKJNMNECK-UHFFFAOYSA-N 2 0 288.399 0.882 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000581185940 336020726 /nfs/dbraw/zinc/02/07/26/336020726.db2.gz DDIARFPBUPCHBY-YMAMQOFZSA-N 2 0 282.432 0.655 20 30 CCEDRP CC[NH+](CC#CC[N@@H+](CC)C[C@@H](C)O)C[C@@H](C)O ZINC000352194415 527879368 /nfs/dbraw/zinc/87/93/68/527879368.db2.gz JNJTWJRYVPLSLJ-ZIAGYGMSSA-N 2 0 256.390 0.395 20 30 CCEDRP C#Cc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000728985156 581527054 /nfs/dbraw/zinc/52/70/54/581527054.db2.gz GHVBKUWMSVOYHT-UHFFFAOYSA-N 2 0 288.395 0.628 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969699993 612996540 /nfs/dbraw/zinc/99/65/40/612996540.db2.gz MLNDXRXHECNIBV-GZBFAFLISA-N 2 0 277.412 0.786 20 30 CCEDRP C#CCC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851872959 613011705 /nfs/dbraw/zinc/01/17/05/613011705.db2.gz OZEHRVIZMABZOR-HNNXBMFYSA-N 2 0 267.417 0.328 20 30 CCEDRP C#CCC[NH+]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000809968049 613011624 /nfs/dbraw/zinc/01/16/24/613011624.db2.gz LKACFKLWJLGGJA-OAHLLOKOSA-N 2 0 265.401 0.082 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000971674186 613079908 /nfs/dbraw/zinc/07/99/08/613079908.db2.gz NQUIVNTXNXKJBJ-CYBMUJFWSA-N 2 0 263.385 0.637 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876730743 613389904 /nfs/dbraw/zinc/38/99/04/613389904.db2.gz KSUUGUVXJCGBOZ-QWRGUYRKSA-N 2 0 259.781 0.913 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000876515721 613390127 /nfs/dbraw/zinc/39/01/27/613390127.db2.gz FCLQRUGYQZNKCQ-AXFHLTTASA-N 2 0 259.781 0.961 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969411390 612996630 /nfs/dbraw/zinc/99/66/30/612996630.db2.gz KCXFZLQJOVWTGO-JSGCOSHPSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000969969907 612996797 /nfs/dbraw/zinc/99/67/97/612996797.db2.gz QFBITMBTUDGNES-DZGCQCFKSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](C)CC1 ZINC000886572303 613069166 /nfs/dbraw/zinc/06/91/66/613069166.db2.gz HJGBFJBTVKFIMA-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000818615340 613072448 /nfs/dbraw/zinc/07/24/48/613072448.db2.gz JIWXWXIAQZHNOV-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000838624372 613073686 /nfs/dbraw/zinc/07/36/86/613073686.db2.gz UKWPJFLNEPSDRB-UHFFFAOYSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000891920840 613073920 /nfs/dbraw/zinc/07/39/20/613073920.db2.gz FDXPXPSYFAKCSY-UHFFFAOYSA-N 2 0 292.427 0.869 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891921237 613075103 /nfs/dbraw/zinc/07/51/03/613075103.db2.gz LAUIZFVLRNJNHN-QDMKHBRRSA-N 2 0 292.427 0.771 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971782445 613091437 /nfs/dbraw/zinc/09/14/37/613091437.db2.gz WBULKWSLNJJVCY-QWHCGFSZSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000855009664 613130531 /nfs/dbraw/zinc/13/05/31/613130531.db2.gz KCFPWRKEBBJLAP-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000913894321 613134022 /nfs/dbraw/zinc/13/40/22/613134022.db2.gz PAVUSFNMMRXLBR-UHFFFAOYSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000914316091 613135003 /nfs/dbraw/zinc/13/50/03/613135003.db2.gz JABNUOVSVNIRDF-OAHLLOKOSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000928654429 613136104 /nfs/dbraw/zinc/13/61/04/613136104.db2.gz ATDJJPBZFZDTRX-CQSZACIVSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCN1CCCN(C(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000981817924 613154791 /nfs/dbraw/zinc/15/47/91/613154791.db2.gz NZAZBPMPXYZNMM-HNNXBMFYSA-N 2 0 293.411 0.263 20 30 CCEDRP C=C(C)C[NH+]1CCC(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924597971 613304387 /nfs/dbraw/zinc/30/43/87/613304387.db2.gz ANKTUNVLURFMGF-ZDUSSCGKSA-N 2 0 294.399 0.509 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978962506 613307869 /nfs/dbraw/zinc/30/78/69/613307869.db2.gz QARBKDAMKGKFDY-ZSOGYDGISA-N 2 0 273.380 0.009 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852106574 613324987 /nfs/dbraw/zinc/32/49/87/613324987.db2.gz BNYHHJDCYGTLBM-HNNXBMFYSA-N 2 0 263.385 0.544 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959969028 613344744 /nfs/dbraw/zinc/34/47/44/613344744.db2.gz VEHPZEPELLIBIJ-ZSAUSMIDSA-N 2 0 277.412 0.949 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000900601801 613363995 /nfs/dbraw/zinc/36/39/95/613363995.db2.gz OKBWMLQNTDACBC-LSDHHAIUSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000908345777 613364342 /nfs/dbraw/zinc/36/43/42/613364342.db2.gz DNCVTBZACAXGMT-OLZOCXBDSA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC000900687190 613364832 /nfs/dbraw/zinc/36/48/32/613364832.db2.gz RHKXVHYMYQTMPC-UHFFFAOYSA-N 2 0 282.432 0.248 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441715 613365019 /nfs/dbraw/zinc/36/50/19/613365019.db2.gz NBUZUASHBJULLN-UONOGXRCSA-N 2 0 281.400 0.474 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900373031 613365401 /nfs/dbraw/zinc/36/54/01/613365401.db2.gz YNYDGJUEAOUHFZ-GFCCVEGCSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000908541694 613365707 /nfs/dbraw/zinc/36/57/07/613365707.db2.gz UXCTVBYQATUFSQ-AWEZNQCLSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854331170 613365927 /nfs/dbraw/zinc/36/59/27/613365927.db2.gz QDXHOEYRPURPEW-OAHLLOKOSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913281012 613366360 /nfs/dbraw/zinc/36/63/60/613366360.db2.gz JVETTXNPRZSZGN-HUUCEWRRSA-N 2 0 265.401 0.904 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928085265 613366896 /nfs/dbraw/zinc/36/68/96/613366896.db2.gz HGFJOSDIQMREAC-QWHCGFSZSA-N 2 0 283.441 0.800 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000877268563 613387785 /nfs/dbraw/zinc/38/77/85/613387785.db2.gz KNUIHGSWFFAILP-LLVKDONJSA-N 2 0 289.807 0.731 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000876756577 613388377 /nfs/dbraw/zinc/38/83/77/613388377.db2.gz VNVVSWWEQIXGQE-GHMZBOCLSA-N 2 0 275.780 0.293 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000876747256 613388393 /nfs/dbraw/zinc/38/83/93/613388393.db2.gz ZLCCOSLNMQJQHR-LLVKDONJSA-N 2 0 285.779 0.853 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[NH+](C)CC1 ZINC000876779782 613389908 /nfs/dbraw/zinc/38/99/08/613389908.db2.gz MZNPKDOAWUBGOP-LBPRGKRZSA-N 2 0 288.823 0.210 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000852793894 613423049 /nfs/dbraw/zinc/42/30/49/613423049.db2.gz IWLQZCOTRJJOKA-GXTWGEPZSA-N 2 0 251.374 0.882 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000969677440 613536908 /nfs/dbraw/zinc/53/69/08/613536908.db2.gz OZGWLRJFDAQPDT-BBRMVZONSA-N 2 0 289.423 0.788 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980413181 613614896 /nfs/dbraw/zinc/61/48/96/613614896.db2.gz ROQZOQUPOKLFDW-LSDHHAIUSA-N 2 0 295.427 0.673 20 30 CCEDRP CC(=NNCC[NH+]1CCCCC1)c1c[nH]c(N)[nH+]1 ZINC000901169451 613654985 /nfs/dbraw/zinc/65/49/85/613654985.db2.gz DTYKIHSFDHZJEK-UHFFFAOYSA-N 2 0 250.350 0.791 20 30 CCEDRP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969382495 613661955 /nfs/dbraw/zinc/66/19/55/613661955.db2.gz SXVNETMCUDMQMT-YPMHNXCESA-N 2 0 251.374 0.703 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891520920 613674907 /nfs/dbraw/zinc/67/49/07/613674907.db2.gz BAEZCNQQNLOGKD-STQMWFEESA-N 2 0 264.373 0.393 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000977926193 613834939 /nfs/dbraw/zinc/83/49/39/613834939.db2.gz ZTHMTNUMUCSEIQ-YIYPIFLZSA-N 2 0 263.385 0.561 20 30 CCEDRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913521244 614504749 /nfs/dbraw/zinc/50/47/49/614504749.db2.gz QEXWMQDCPKJZBV-GFCCVEGCSA-N 2 0 253.390 0.834 20 30 CCEDRP CC[NH2+]CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876520920 615087283 /nfs/dbraw/zinc/08/72/83/615087283.db2.gz FYAIWGLCCJOODT-CQSZACIVSA-N 2 0 272.352 0.471 20 30 CCEDRP C[NH+](C)C1(CNC(=O)C#CC2CC[NH2+]CC2)CCCC1 ZINC000852853936 615846509 /nfs/dbraw/zinc/84/65/09/615846509.db2.gz AAMSCPJHLSRTGA-UHFFFAOYSA-N 2 0 277.412 0.980 20 30 CCEDRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194314 615957315 /nfs/dbraw/zinc/95/73/15/615957315.db2.gz DJRKCFFXJCUTTR-WDEREUQCSA-N 2 0 278.381 0.651 20 30 CCEDRP CN(CC(C)(C)[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884396657 616051467 /nfs/dbraw/zinc/05/14/67/616051467.db2.gz JJDXIVZVSQGEJP-IQLKVPPVSA-N 2 0 264.373 0.321 20 30 CCEDRP CN(CCCCCC[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000877437523 616072114 /nfs/dbraw/zinc/07/21/14/616072114.db2.gz JFJDACVGOGULFR-UHFFFAOYSA-N 2 0 265.401 0.967 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023084502 622901635 /nfs/dbraw/zinc/90/16/35/622901635.db2.gz QSAGDCIKAYMUKO-SDDRHHMPSA-N 2 0 271.792 0.927 20 30 CCEDRP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001023290694 622982757 /nfs/dbraw/zinc/98/27/57/622982757.db2.gz AGFROWWCGIUNLE-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCOCC1 ZINC000170904774 623812868 /nfs/dbraw/zinc/81/28/68/623812868.db2.gz AIOHJKPATWGACE-CYBMUJFWSA-N 2 0 268.405 0.802 20 30 CCEDRP C[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)NC1CC1 ZINC000171612933 623821266 /nfs/dbraw/zinc/82/12/66/623821266.db2.gz KISWHIZHIBQKQR-GFCCVEGCSA-N 2 0 254.378 0.425 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001022076912 624871043 /nfs/dbraw/zinc/87/10/43/624871043.db2.gz FDTBHMGSMHAJCE-APIJFGDWSA-N 2 0 275.396 0.731 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001022278198 624908960 /nfs/dbraw/zinc/90/89/60/624908960.db2.gz HLIXXNIZMDQJIW-LXTVHRRPSA-N 2 0 275.396 0.873 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261675362 631432407 /nfs/dbraw/zinc/43/24/07/631432407.db2.gz GOBRWTUXTSJMRV-YNEHKIRRSA-N 2 0 282.432 0.917 20 30 CCEDRP C[NH+]=C(NCCn1ccnc1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261861503 631659986 /nfs/dbraw/zinc/65/99/86/631659986.db2.gz YMONRCYCLHMOCS-VXGBXAGGSA-N 2 0 279.388 0.862 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC000987275242 632854937 /nfs/dbraw/zinc/85/49/37/632854937.db2.gz CODJCGFCCKHVGB-ZFWWWQNUSA-N 2 0 293.411 0.309 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681763 633343823 /nfs/dbraw/zinc/34/38/23/633343823.db2.gz FVPXNEWIDNJPST-STQMWFEESA-N 2 0 263.385 0.847 20 30 CCEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009526742 650147005 /nfs/dbraw/zinc/14/70/05/650147005.db2.gz FQYNZABWSXUTKD-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010382614 650212784 /nfs/dbraw/zinc/21/27/84/650212784.db2.gz LJMFSRSUBNQDRE-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)COC ZINC000170910979 637105368 /nfs/dbraw/zinc/10/53/68/637105368.db2.gz YPVFGJZDXZWYAX-NEPJUHHUSA-N 2 0 256.394 0.658 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821509 638802291 /nfs/dbraw/zinc/80/22/91/638802291.db2.gz IMJNZCSZPRDOBU-LSDHHAIUSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014455563 650453123 /nfs/dbraw/zinc/45/31/23/650453123.db2.gz MAHQBLMIQZKXQH-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999404741 638980504 /nfs/dbraw/zinc/98/05/04/638980504.db2.gz ZPGVWUHKSQOPGX-IYXRBSQSSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001000571450 639123108 /nfs/dbraw/zinc/12/31/08/639123108.db2.gz JOBYXTFALQEHPR-AWEZNQCLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001451895 639305648 /nfs/dbraw/zinc/30/56/48/639305648.db2.gz OOGBADSUDMKCDY-AWEZNQCLSA-N 2 0 263.385 0.872 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636875 639581621 /nfs/dbraw/zinc/58/16/21/639581621.db2.gz XZUMWDBFGPLYGU-HIFRSBDPSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005398989 639907658 /nfs/dbraw/zinc/90/76/58/639907658.db2.gz POXVLDLKRMCAEH-INIZCTEOSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006002509 640062725 /nfs/dbraw/zinc/06/27/25/640062725.db2.gz XWQGQZGVKDNAJR-HIFRSBDPSA-N 2 0 277.412 0.740 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000834500097 642588183 /nfs/dbraw/zinc/58/81/83/642588183.db2.gz QDIBPVNVHLMTGD-PWSUYJOCSA-N 2 0 255.281 0.176 20 30 CCEDRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852798354 644002748 /nfs/dbraw/zinc/00/27/48/644002748.db2.gz IUTVRTOCCCYPNM-ZIAGYGMSSA-N 2 0 263.385 0.623 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000852827516 644013965 /nfs/dbraw/zinc/01/39/65/644013965.db2.gz JYUOCJQQYOCLBY-MFKMUULPSA-N 2 0 256.309 0.131 20 30 CCEDRP CC(C)[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864960 644030914 /nfs/dbraw/zinc/03/09/14/644030914.db2.gz NSSLFVLHMPMZMG-UHFFFAOYSA-N 2 0 251.374 0.446 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000852874210 644035718 /nfs/dbraw/zinc/03/57/18/644035718.db2.gz NCAGWPYVRGEFDZ-INIZCTEOSA-N 2 0 289.423 0.980 20 30 CCEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019574687 650989373 /nfs/dbraw/zinc/98/93/73/650989373.db2.gz OGIAGTIVSPTVRP-AWEZNQCLSA-N 2 0 295.427 0.864 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508123 646614055 /nfs/dbraw/zinc/61/40/55/646614055.db2.gz IZIFLQZQIBGFNJ-UKRRQHHQSA-N 2 0 284.363 0.613 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1([NH3+])CCC1 ZINC000876795135 646666054 /nfs/dbraw/zinc/66/60/54/646666054.db2.gz JWOCOXMXMVNXME-CQSZACIVSA-N 2 0 284.363 0.743 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242488 646764616 /nfs/dbraw/zinc/76/46/16/646764616.db2.gz QTGWBWJLIOLMGF-LNSITVRQSA-N 2 0 284.363 0.599 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877275462 646776495 /nfs/dbraw/zinc/77/64/95/646776495.db2.gz SUQNBLFXTXHYBF-AVGNSLFASA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877385111 646806622 /nfs/dbraw/zinc/80/66/22/646806622.db2.gz BEAZNVRRNVTUQS-OBJOEFQTSA-N 2 0 264.373 0.798 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884013022 647610790 /nfs/dbraw/zinc/61/07/90/647610790.db2.gz ANCMOEZCPPWTHL-FQMXKAEGSA-N 2 0 290.411 0.854 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]([NH3+])c1ccccc1)C2 ZINC000884026514 647616315 /nfs/dbraw/zinc/61/63/15/647616315.db2.gz GCYWJVPQOGNSSG-KRIMKBQASA-N 2 0 298.390 0.942 20 30 CCEDRP C[NH+]=C(NC[C@@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000303470119 649821297 /nfs/dbraw/zinc/82/12/97/649821297.db2.gz IELNPIAQNSDLAJ-CYBMUJFWSA-N 2 0 283.464 0.833 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)NC(C)C ZINC000303781938 649825227 /nfs/dbraw/zinc/82/52/27/649825227.db2.gz MSJFUIVMSGZKFV-GFCCVEGCSA-N 2 0 283.420 0.290 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cccn1 ZINC000303886735 649826547 /nfs/dbraw/zinc/82/65/47/649826547.db2.gz NXXGRCSSVCMZHY-LBPRGKRZSA-N 2 0 264.377 0.272 20 30 CCEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NCC(C)C)CC1 ZINC000303894383 649826621 /nfs/dbraw/zinc/82/66/21/649826621.db2.gz OTBVGOVBZDXYJZ-UHFFFAOYSA-N 2 0 283.464 0.964 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[NH+](C)C1CC1 ZINC000303979484 649827445 /nfs/dbraw/zinc/82/74/45/649827445.db2.gz NGSIDLFFJVKVTF-JSGCOSHPSA-N 3 0 281.448 0.858 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])NC(C)(C)C)CC1 ZINC000304718523 649837465 /nfs/dbraw/zinc/83/74/65/649837465.db2.gz NWTGGKDQSGTZDS-UHFFFAOYSA-N 2 0 269.437 0.715 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)COC1 ZINC000304750572 649838147 /nfs/dbraw/zinc/83/81/47/649838147.db2.gz IOGAWBTYFYPQQE-NSHDSACASA-N 2 0 254.378 0.412 20 30 CCEDRP CCCCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304749339 649838195 /nfs/dbraw/zinc/83/81/95/649838195.db2.gz WOQBEWSAPBMMAR-UHFFFAOYSA-N 2 0 269.437 0.717 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000304762897 649838871 /nfs/dbraw/zinc/83/88/71/649838871.db2.gz WDWQHPYHAPTELU-RYUDHWBXSA-N 2 0 256.394 0.800 20 30 CCEDRP CCc1nncn1CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000304789546 649839383 /nfs/dbraw/zinc/83/93/83/649839383.db2.gz JUZSZDADUFNILV-LBPRGKRZSA-N 2 0 293.419 0.229 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048880 805578021 /nfs/dbraw/zinc/57/80/21/805578021.db2.gz XPQBVBPLJJJCBS-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266352848 790569426 /nfs/dbraw/zinc/56/94/26/790569426.db2.gz JFDVEVIGSPFVKB-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453571 790643410 /nfs/dbraw/zinc/64/34/10/790643410.db2.gz AQJNBBBBMGYCCE-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1CCC)C1CC1 ZINC001266412459 790655579 /nfs/dbraw/zinc/65/55/79/790655579.db2.gz UCLGQXQSJPNDPD-HUUCEWRRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001266412002 790655389 /nfs/dbraw/zinc/65/53/89/790655389.db2.gz JZAVNPSDYBQPNZ-OAHLLOKOSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203341 791140770 /nfs/dbraw/zinc/14/07/70/791140770.db2.gz KXGLTAYHCOLTFJ-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277719215 805983459 /nfs/dbraw/zinc/98/34/59/805983459.db2.gz ZLIRKHXQBYACPK-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894686 791324274 /nfs/dbraw/zinc/32/42/74/791324274.db2.gz JHSJNXLHRPKBAW-ZIAGYGMSSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266894685 791325018 /nfs/dbraw/zinc/32/50/18/791325018.db2.gz JHSJNXLHRPKBAW-UONOGXRCSA-N 2 0 265.401 0.788 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267022206 791458000 /nfs/dbraw/zinc/45/80/00/791458000.db2.gz DDEOSCZHTOTHMQ-CABCVRRESA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[N@H+](C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC001267233545 791715292 /nfs/dbraw/zinc/71/52/92/791715292.db2.gz PYILHDIBBAUDLP-UHFFFAOYSA-N 2 0 265.401 0.934 20 30 CCEDRP CCOC(=O)C1(C#N)CC[NH+](CCCC[NH3+])CC1 ZINC001236086366 806543192 /nfs/dbraw/zinc/54/31/92/806543192.db2.gz IYVVYMMBIGCJHX-UHFFFAOYSA-N 2 0 253.346 0.894 20 30 CCEDRP C=CC[NH2+]CCN(CCOCC)C1CC[NH2+]CC1 ZINC001236460350 806591878 /nfs/dbraw/zinc/59/18/78/806591878.db2.gz PIYKWVVAFLAUOA-UHFFFAOYSA-N 2 0 255.406 0.853 20 30 CCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001278098908 806666545 /nfs/dbraw/zinc/66/65/45/806666545.db2.gz AFCXZXNIZAGOLD-QJPTWQEYSA-N 2 0 278.356 0.156 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001121997800 799117309 /nfs/dbraw/zinc/11/73/09/799117309.db2.gz IHUXBXXHVMVIME-HZSPNIEDSA-N 2 0 263.385 0.609 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001122552135 799261650 /nfs/dbraw/zinc/26/16/50/799261650.db2.gz DCKMIYSEHVVEIC-CQSZACIVSA-N 2 0 277.343 0.767 20 30 CCEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150481232 800337796 /nfs/dbraw/zinc/33/77/96/800337796.db2.gz WNPZCYKQGULKAI-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001150796564 800369036 /nfs/dbraw/zinc/36/90/36/800369036.db2.gz VUQHTIUTUIEHTN-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151152387 800405383 /nfs/dbraw/zinc/40/53/83/800405383.db2.gz RITVDLNXZKZDLU-LLVKDONJSA-N 2 0 289.807 0.413 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](CC)OC)CC1 ZINC001152329778 800511661 /nfs/dbraw/zinc/51/16/61/800511661.db2.gz BAHBBQDTVXYXNX-OAHLLOKOSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314896 800620266 /nfs/dbraw/zinc/62/02/66/800620266.db2.gz RQCQZSOTRLROGL-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001156525418 801179676 /nfs/dbraw/zinc/17/96/76/801179676.db2.gz NXKWYSSVAAKXHY-OAHLLOKOSA-N 2 0 297.443 0.805 20 30 CCEDRP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156891160 801255161 /nfs/dbraw/zinc/25/51/61/801255161.db2.gz XCXVZGOAUGFSHC-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889941 801255306 /nfs/dbraw/zinc/25/53/06/801255306.db2.gz FPQNTCSEFOPBAK-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421216 801642172 /nfs/dbraw/zinc/64/21/72/801642172.db2.gz CXBUZBDFGMKUNG-ZNMIVQPWSA-N 2 0 284.363 0.391 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997624 801897938 /nfs/dbraw/zinc/89/79/38/801897938.db2.gz UYJLWECLULIJSP-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1 ZINC001161006678 802060240 /nfs/dbraw/zinc/06/02/40/802060240.db2.gz FDWNEQQJHUZWGK-JSGCOSHPSA-N 2 0 279.384 0.010 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278326668 806965060 /nfs/dbraw/zinc/96/50/60/806965060.db2.gz SNXOGTQDZHHCFZ-HUUCEWRRSA-N 2 0 295.427 0.555 20 30 CCEDRP N#Cc1c[nH]c2ncnc(NCCC[NH2+]CCCC[NH3+])c12 ZINC001162289460 802301062 /nfs/dbraw/zinc/30/10/62/802301062.db2.gz WJUKUEBUIHHTDU-UHFFFAOYSA-N 2 0 287.371 0.960 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cnc(C#N)cn1 ZINC001163123153 802487480 /nfs/dbraw/zinc/48/74/80/802487480.db2.gz ZBVAIBUDVFIJNM-UHFFFAOYSA-N 2 0 261.333 0.626 20 30 CCEDRP C=CC(N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1)=[NH+]COC ZINC001163313411 802532449 /nfs/dbraw/zinc/53/24/49/802532449.db2.gz XLFIPJBPYMNCLM-DGCLKSJQSA-N 2 0 253.346 0.676 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164536305 802758448 /nfs/dbraw/zinc/75/84/48/802758448.db2.gz PWZODHMLWALHRQ-CQSZACIVSA-N 2 0 281.400 0.215 20 30 CCEDRP N#Cc1c2c(cnc1N1CCC[C@H]3[NH2+]C[C@@H]31)C[NH2+]CCC2 ZINC001165387148 802831832 /nfs/dbraw/zinc/83/18/32/802831832.db2.gz IOECJPUAFRXOJO-CABCVRRESA-N 2 0 283.379 0.930 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166692410 802939449 /nfs/dbraw/zinc/93/94/49/802939449.db2.gz PHUZAWYONXUBLB-CHWSQXEVSA-N 2 0 253.390 0.856 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550758 803418968 /nfs/dbraw/zinc/41/89/68/803418968.db2.gz IFFZHXKFZJWKFH-BPLDGKMQSA-N 2 0 277.412 0.786 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208062965 803484127 /nfs/dbraw/zinc/48/41/27/803484127.db2.gz HWVBKMRXWVGOCH-CVEARBPZSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213769220 803703076 /nfs/dbraw/zinc/70/30/76/803703076.db2.gz KBIRGRFFQZLUBQ-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852426 803860457 /nfs/dbraw/zinc/86/04/57/803860457.db2.gz ZEOAZJNXXMWUOS-HUUCEWRRSA-N 2 0 295.427 0.413 20 30 CCEDRP C=C1CC[NH2+]C[C@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833436 803918269 /nfs/dbraw/zinc/91/82/69/803918269.db2.gz WFWKPLHOHQTMDZ-SYQHCUMBSA-N 2 0 252.358 0.688 20 30 CCEDRP N#Cc1cccc(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001218587581 804023056 /nfs/dbraw/zinc/02/30/56/804023056.db2.gz KQYHRVQFHNOGMU-JTQLQIEISA-N 2 0 261.329 0.738 20 30 CCEDRP N#Cc1cccc2[nH]nc(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)c21 ZINC001218656965 804065951 /nfs/dbraw/zinc/06/59/51/804065951.db2.gz VCSZGPQZLLUVGM-CYBMUJFWSA-N 2 0 298.350 0.700 20 30 CCEDRP N#C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220095389 804497617 /nfs/dbraw/zinc/49/76/17/804497617.db2.gz XJWJJUOVUVBEFD-DRZSPHRISA-N 2 0 264.373 0.512 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345035 804579494 /nfs/dbraw/zinc/57/94/94/804579494.db2.gz NBDWPLJYDVJXLG-KFWWJZLASA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089645 804728114 /nfs/dbraw/zinc/72/81/14/804728114.db2.gz KSOLNUHHJQJMKU-KGLIPLIRSA-N 2 0 283.416 0.454 20 30 CCEDRP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916986 804996605 /nfs/dbraw/zinc/99/66/05/804996605.db2.gz YFKPVFDTVAUKLL-CABCVRRESA-N 2 0 295.427 0.673 20 30 CCEDRP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001276956793 805014124 /nfs/dbraw/zinc/01/41/24/805014124.db2.gz NRLAFYDMJMJYEP-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001276957591 805015506 /nfs/dbraw/zinc/01/55/06/805015506.db2.gz YVTNKKNJLFUGRM-IHRRRGAJSA-N 2 0 281.400 0.378 20 30 CCEDRP C#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001278437934 807197661 /nfs/dbraw/zinc/19/76/61/807197661.db2.gz KZFZOUCNZLDFNT-AWEZNQCLSA-N 2 0 251.374 0.542 20 30 CCEDRP C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)C[NH2+]1 ZINC001246319334 807221011 /nfs/dbraw/zinc/22/10/11/807221011.db2.gz VEKYJTYRFPMOBA-ZYHUDNBSSA-N 2 0 295.408 0.936 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001251893703 807738513 /nfs/dbraw/zinc/73/85/13/807738513.db2.gz HRYXIWILCXJVLC-OAHLLOKOSA-N 2 0 268.401 0.707 20 30 CCEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728745 808076312 /nfs/dbraw/zinc/07/63/12/808076312.db2.gz SOTRYHUMGXLZNY-CQSZACIVSA-N 2 0 295.427 0.769 20 30 CCEDRP C[N@@H+]1CCC[C@H](NC(=[NH2+])c2ccc(C(N)=O)cc2)CC1 ZINC001254509140 808248096 /nfs/dbraw/zinc/24/80/96/808248096.db2.gz XCINUZBCNFQJTR-ZDUSSCGKSA-N 2 0 274.368 0.975 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076244751 815266388 /nfs/dbraw/zinc/26/63/88/815266388.db2.gz XTZYCUBQQMGJPB-HRCADAONSA-N 2 0 289.423 0.884 20 30 CCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC001263105449 809446099 /nfs/dbraw/zinc/44/60/99/809446099.db2.gz ONWFCVCSRSLIKG-YNEHKIRRSA-N 2 0 264.373 0.336 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001263878263 809596966 /nfs/dbraw/zinc/59/69/66/809596966.db2.gz RHGRRZSRKWAZHC-MGPQQGTHSA-N 2 0 263.385 0.446 20 30 CCEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001265260062 809734248 /nfs/dbraw/zinc/73/42/48/809734248.db2.gz UZEKQIUXRKQHAG-HNNXBMFYSA-N 2 0 296.459 0.492 20 30 CCEDRP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001265414279 809773712 /nfs/dbraw/zinc/77/37/12/809773712.db2.gz GTCHKRLXGHFEQQ-OKILXGFUSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265444876 809780728 /nfs/dbraw/zinc/78/07/28/809780728.db2.gz AHOBOZNONWSBAN-UONOGXRCSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265556112 809804704 /nfs/dbraw/zinc/80/47/04/809804704.db2.gz SMWKANLXCWHSLG-FRRDWIJNSA-N 2 0 253.390 0.995 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC#CC)CC1 ZINC001265978450 809911150 /nfs/dbraw/zinc/91/11/50/809911150.db2.gz NRKIQOOJWJGGST-UHFFFAOYSA-N 2 0 289.423 0.793 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266119686 809938691 /nfs/dbraw/zinc/93/86/91/809938691.db2.gz KCADCIHFBLJBJP-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+]CCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001267474462 811357412 /nfs/dbraw/zinc/35/74/12/811357412.db2.gz SRDFPOQSGNYTDU-UHFFFAOYSA-N 2 0 261.369 0.013 20 30 CCEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001279746969 811652977 /nfs/dbraw/zinc/65/29/77/811652977.db2.gz YAPFWTFWTBXWIU-CQSZACIVSA-N 2 0 283.416 0.457 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001268010956 811948867 /nfs/dbraw/zinc/94/88/67/811948867.db2.gz RTMZLLOHDLNGBO-OLZOCXBDSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027966167 812173525 /nfs/dbraw/zinc/17/35/25/812173525.db2.gz LISBURKKDLAWIR-HZSPNIEDSA-N 2 0 281.400 0.472 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001268477441 812633421 /nfs/dbraw/zinc/63/34/21/812633421.db2.gz OMEWPSGPBMSHLU-CHWSQXEVSA-N 2 0 274.368 0.595 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544582 812832968 /nfs/dbraw/zinc/83/29/68/812832968.db2.gz GFOAVYHXSUFHRG-HOCLYGCPSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001268700029 813017767 /nfs/dbraw/zinc/01/77/67/813017767.db2.gz BWCPUNSSHYLZDL-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC#CC)CC1 ZINC001268716751 813029616 /nfs/dbraw/zinc/02/96/16/813029616.db2.gz KRNYGOCRZYZKKL-AWEZNQCLSA-N 2 0 275.396 0.449 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268717358 813031278 /nfs/dbraw/zinc/03/12/78/813031278.db2.gz XBTZKHBUHYTONS-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001269034081 813185503 /nfs/dbraw/zinc/18/55/03/813185503.db2.gz OUXSFBIOCSVDSC-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP COCC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001269523148 813402510 /nfs/dbraw/zinc/40/25/10/813402510.db2.gz YUAONWYYJGJSHI-CQSZACIVSA-N 2 0 293.411 0.216 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762966 813457805 /nfs/dbraw/zinc/45/78/05/813457805.db2.gz XHKAYUPNFLPMFB-ZNMIVQPWSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001270068640 813613065 /nfs/dbraw/zinc/61/30/65/813613065.db2.gz ZYCBVDVYEOIXIY-ZDUSSCGKSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001270068638 813613774 /nfs/dbraw/zinc/61/37/74/813613774.db2.gz ZYCBVDVYEOIXIY-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+]1C[C@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C1 ZINC001271892665 814622462 /nfs/dbraw/zinc/62/24/62/814622462.db2.gz VGFUNLSCWWXWTK-GASCZTMLSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001168136001 814717603 /nfs/dbraw/zinc/71/76/03/814717603.db2.gz DSXPKSMWMPTYMU-CYBMUJFWSA-N 2 0 263.385 0.447 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644449 815591022 /nfs/dbraw/zinc/59/10/22/815591022.db2.gz HKACGLMEOVPWDA-CABCVRRESA-N 2 0 298.346 0.133 20 30 CCEDRP C=C(C)CN1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030345179 815986803 /nfs/dbraw/zinc/98/68/03/815986803.db2.gz ADRFXTIFKKAEKJ-ZIAGYGMSSA-N 2 0 279.384 0.226 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001272299436 816286149 /nfs/dbraw/zinc/28/61/49/816286149.db2.gz BFFSWAWONBVLSN-GJZGRUSLSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001272384234 816379247 /nfs/dbraw/zinc/37/92/47/816379247.db2.gz NUBSMQFFTZFRJG-LSDHHAIUSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106881855 816973610 /nfs/dbraw/zinc/97/36/10/816973610.db2.gz MKPZLKXJSMLYJL-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP C=C(C)CCN1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031385494 817021031 /nfs/dbraw/zinc/02/10/31/817021031.db2.gz GEDNZMZRBDURLM-LBPRGKRZSA-N 2 0 251.374 0.705 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675122 817237398 /nfs/dbraw/zinc/23/73/98/817237398.db2.gz VYXDZWVXKPULQV-OAHLLOKOSA-N 2 0 275.396 0.400 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978436 817516121 /nfs/dbraw/zinc/51/61/21/817516121.db2.gz SSNKPNGEJVRMKV-DGCLKSJQSA-N 2 0 251.374 0.418 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984710 817571819 /nfs/dbraw/zinc/57/18/19/817571819.db2.gz YNOJPTQMMMKLKM-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127707274 817753548 /nfs/dbraw/zinc/75/35/48/817753548.db2.gz YDNKITWWJHFGNZ-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679121 817984449 /nfs/dbraw/zinc/98/44/49/817984449.db2.gz HWIULBYEJYYAFG-BFHYXJOUSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019054 818433483 /nfs/dbraw/zinc/43/34/83/818433483.db2.gz RMWSBPLJSWDLMT-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033580460 818837115 /nfs/dbraw/zinc/83/71/15/818837115.db2.gz FBKXGBSZEVAFGZ-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001036296454 819721328 /nfs/dbraw/zinc/72/13/28/819721328.db2.gz JCIDUPYZSKMMTR-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082742059 821029802 /nfs/dbraw/zinc/02/98/02/821029802.db2.gz PLKDYEHERPPYRU-BFHYXJOUSA-N 2 0 263.385 0.398 20 30 CCEDRP C[NH+]1CCC(C[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000823759327 821535884 /nfs/dbraw/zinc/53/58/84/821535884.db2.gz KXZOLLVEENDJJV-UHFFFAOYSA-N 2 0 264.373 0.386 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001085394816 821677524 /nfs/dbraw/zinc/67/75/24/821677524.db2.gz GCYROTRYFMMGDM-ZIAGYGMSSA-N 2 0 275.396 0.732 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001273358950 821926258 /nfs/dbraw/zinc/92/62/58/821926258.db2.gz PFMIGCGWNNPHEH-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC)CC1 ZINC001085986717 822054385 /nfs/dbraw/zinc/05/43/85/822054385.db2.gz LMHVNNSFXBBDOT-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436320 837510686 /nfs/dbraw/zinc/51/06/86/837510686.db2.gz OROMQQQBUSCIIS-NSHDSACASA-N 2 0 259.781 0.785 20 30 CCEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CC(C)(C#N)C1 ZINC001157694022 837250573 /nfs/dbraw/zinc/25/05/73/837250573.db2.gz LJOSDAJQPNASBB-NSHDSACASA-N 2 0 252.362 0.418 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196390 838019355 /nfs/dbraw/zinc/01/93/55/838019355.db2.gz DKRRMQMQXBSMMV-UHFFFAOYSA-N 2 0 269.308 0.220 20 30 CCEDRP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681426 838172718 /nfs/dbraw/zinc/17/27/18/838172718.db2.gz BKVKALLXUJMBFA-GOEBONIOSA-N 2 0 295.427 0.816 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840684 838241424 /nfs/dbraw/zinc/24/14/24/838241424.db2.gz STDFCPPNVFREPK-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132409742 838389894 /nfs/dbraw/zinc/38/98/94/838389894.db2.gz DNZREUDXLDAAFA-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cncc2C)CC[C@@H]1C ZINC001132977341 838528574 /nfs/dbraw/zinc/52/85/74/838528574.db2.gz LCIYWPORVUMSLH-ZFWWWQNUSA-N 2 0 288.395 0.899 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133690737 838697032 /nfs/dbraw/zinc/69/70/32/838697032.db2.gz UYMAUKLRIVHGJW-ZDUSSCGKSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134054713 838839479 /nfs/dbraw/zinc/83/94/79/838839479.db2.gz QANAVTIQTGLXRI-CYBMUJFWSA-N 2 0 269.389 0.379 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782744 839073201 /nfs/dbraw/zinc/07/32/01/839073201.db2.gz KULSZWKEGAGTFJ-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390646 839241174 /nfs/dbraw/zinc/24/11/74/839241174.db2.gz LWWCRPJIPFMPRW-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001185504443 844426366 /nfs/dbraw/zinc/42/63/66/844426366.db2.gz VVLADAHYNPNVJA-HUUCEWRRSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804191 839422699 /nfs/dbraw/zinc/42/26/99/839422699.db2.gz GBTSAXFCSROQOI-ZIAGYGMSSA-N 2 0 295.427 0.603 20 30 CCEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937834 839474029 /nfs/dbraw/zinc/47/40/29/839474029.db2.gz APNAFRHMLJDANL-CHWSQXEVSA-N 2 0 263.385 0.588 20 30 CCEDRP N#Cc1cnc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170897783 839543550 /nfs/dbraw/zinc/54/35/50/839543550.db2.gz KFHUPVOCSHQWBI-VIFPVBQESA-N 2 0 250.262 0.297 20 30 CCEDRP C=C(CO)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC001136542163 839653330 /nfs/dbraw/zinc/65/33/30/839653330.db2.gz YYFJMYYHMBDULA-CQSZACIVSA-N 2 0 283.416 0.409 20 30 CCEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811630 839829166 /nfs/dbraw/zinc/82/91/66/839829166.db2.gz CRUBYAKWIRSYLJ-CABCVRRESA-N 2 0 295.427 0.600 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001091377720 840196066 /nfs/dbraw/zinc/19/60/66/840196066.db2.gz WFTFCUUUMHOOQF-YMAMQOFZSA-N 2 0 277.412 0.978 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147834462 840695059 /nfs/dbraw/zinc/69/50/59/840695059.db2.gz JJLJNCAFTMYNEN-KBPBESRZSA-N 2 0 265.401 0.836 20 30 CCEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147848017 840699275 /nfs/dbraw/zinc/69/92/75/840699275.db2.gz CWSNZVSOSBLEOG-CYBMUJFWSA-N 2 0 271.405 0.625 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970651 840723725 /nfs/dbraw/zinc/72/37/25/840723725.db2.gz NWCUJIZFRTXJAV-UHFFFAOYSA-N 2 0 257.765 0.541 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216626 840765188 /nfs/dbraw/zinc/76/51/88/840765188.db2.gz QEMZDQXEEFSYTG-UHFFFAOYSA-N 2 0 263.385 0.496 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275559 841005763 /nfs/dbraw/zinc/00/57/63/841005763.db2.gz IZTKOVKMVSHUIH-WBVHZDCISA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)[C@H](C)C1 ZINC001092694193 841054679 /nfs/dbraw/zinc/05/46/79/841054679.db2.gz HTUPLXUUKZSOOB-AAVRWANBSA-N 2 0 286.379 0.831 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895874 841663818 /nfs/dbraw/zinc/66/38/18/841663818.db2.gz FWJYWKVDYCGBJA-LSDHHAIUSA-N 2 0 275.396 0.638 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157477 843786444 /nfs/dbraw/zinc/78/64/44/843786444.db2.gz LVQOIKOJRHYKSZ-ZDUSSCGKSA-N 2 0 269.389 0.237 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486831 843849790 /nfs/dbraw/zinc/84/97/90/843849790.db2.gz WEANBJSVWAAPSI-UKRRQHHQSA-N 2 0 265.401 0.646 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2ncc[nH]2)C1 ZINC001192581104 845878345 /nfs/dbraw/zinc/87/83/45/845878345.db2.gz SLDQUUYLKHREKO-CHWSQXEVSA-N 2 0 292.383 0.470 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193570821 846109882 /nfs/dbraw/zinc/10/98/82/846109882.db2.gz OHFAVWNPXKIRIF-CQSZACIVSA-N 2 0 265.401 0.884 20 30 CCEDRP C#CCC[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197049434 846831973 /nfs/dbraw/zinc/83/19/73/846831973.db2.gz QEJMJVFUGCSYDE-UHFFFAOYSA-N 2 0 251.374 0.496 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200643393 847679172 /nfs/dbraw/zinc/67/91/72/847679172.db2.gz BZRNCRMWRYVOIF-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001200850087 847697941 /nfs/dbraw/zinc/69/79/41/847697941.db2.gz FMZNCVYXJKICLZ-CQSZACIVSA-N 2 0 283.391 0.880 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001273883575 847731826 /nfs/dbraw/zinc/73/18/26/847731826.db2.gz CKJPGDYSJQWHGB-HNNXBMFYSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201275852 847758813 /nfs/dbraw/zinc/75/88/13/847758813.db2.gz CLXGXKUQYRLNBJ-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335430 847771260 /nfs/dbraw/zinc/77/12/60/847771260.db2.gz OLUHOOBXHTXVBU-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202059939 847851618 /nfs/dbraw/zinc/85/16/18/847851618.db2.gz TVJZIHCQSHAGGE-HNNXBMFYSA-N 2 0 293.411 0.313 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056639 847851656 /nfs/dbraw/zinc/85/16/56/847851656.db2.gz AKIPUSSMNDRINB-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049362 847851789 /nfs/dbraw/zinc/85/17/89/847851789.db2.gz MKEJGUOZWVBTSO-AWEZNQCLSA-N 2 0 281.400 0.475 20 30 CCEDRP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114464227 848074666 /nfs/dbraw/zinc/07/46/66/848074666.db2.gz RFZSZSAHMKJGOC-RQJABVFESA-N 2 0 263.385 0.396 20 30 CCEDRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCCC#N)C2)OCC1=O ZINC001274039986 848315394 /nfs/dbraw/zinc/31/53/94/848315394.db2.gz POXHHOVIGBJFAH-OAHLLOKOSA-N 2 0 294.399 0.155 20 30 CCEDRP C=C[C@](C)(O)C[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274614105 848523718 /nfs/dbraw/zinc/52/37/18/848523718.db2.gz BBZGVANRGWRKPD-HOTGVXAUSA-N 2 0 295.427 0.409 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275203804 848662792 /nfs/dbraw/zinc/66/27/92/848662792.db2.gz YPEQPKODXFXRAO-ZDUSSCGKSA-N 2 0 263.385 0.590 20 30 CCEDRP C#CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001039042355 850137735 /nfs/dbraw/zinc/13/77/35/850137735.db2.gz QLGFVJFBVGVXKF-INIZCTEOSA-N 2 0 287.407 0.545 20 30 CCEDRP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046839285 851626562 /nfs/dbraw/zinc/62/65/62/851626562.db2.gz QEXSQJZDWJJXCH-ZFWWWQNUSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324477 851716164 /nfs/dbraw/zinc/71/61/64/851716164.db2.gz QBNNIOOLSBYJQO-ILXRZTDVSA-N 2 0 295.427 0.550 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381784 851746195 /nfs/dbraw/zinc/74/61/95/851746195.db2.gz RSFWQBSJBNWWCJ-ILXRZTDVSA-N 2 0 293.411 0.018 20 30 CCEDRP C=CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001047500997 851791792 /nfs/dbraw/zinc/79/17/92/851791792.db2.gz LEMBVGCNODYHNY-AJNGGQMLSA-N 2 0 295.427 0.406 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491546281 903671061 /nfs/dbraw/zinc/67/10/61/903671061.db2.gz CMKDZCUYZJOHQO-WDEREUQCSA-N 2 0 259.781 0.927 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049097947 852163389 /nfs/dbraw/zinc/16/33/89/852163389.db2.gz YJYBCTHNPVANSI-IYBDPMFKSA-N 2 0 289.423 0.742 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073661700 854627453 /nfs/dbraw/zinc/62/74/53/854627453.db2.gz BUAHTHVOMGGSAY-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073890336 854659492 /nfs/dbraw/zinc/65/94/92/854659492.db2.gz CGXFKCBLUDBWBD-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099159933 854918026 /nfs/dbraw/zinc/91/80/26/854918026.db2.gz MIRSDGJUGNRFRI-YCPHGPKFSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872518 855012978 /nfs/dbraw/zinc/01/29/78/855012978.db2.gz VIZKRIXLRUHEJB-UONOGXRCSA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](O)C1 ZINC001100016998 855073369 /nfs/dbraw/zinc/07/33/69/855073369.db2.gz CMPFDFLKSGKYQE-ZIAGYGMSSA-N 2 0 292.383 0.470 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131557 855104169 /nfs/dbraw/zinc/10/41/69/855104169.db2.gz FIOHQENQKHXTID-HUUCEWRRSA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001100534926 855184180 /nfs/dbraw/zinc/18/41/80/855184180.db2.gz GRSSMSHCMGPSCT-BCLQGDPASA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617251 855198821 /nfs/dbraw/zinc/19/88/21/855198821.db2.gz LGOWOTGZRVSWRB-UHFFFAOYSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001100873013 855233043 /nfs/dbraw/zinc/23/30/43/855233043.db2.gz RHGRRZSRKWAZHC-IYXRBSQSSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304185 855660588 /nfs/dbraw/zinc/66/05/88/855660588.db2.gz PEHVFANFRJNSAZ-NHAGDIPZSA-N 2 0 263.385 0.396 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]CCC12CCC2 ZINC001119370154 856657324 /nfs/dbraw/zinc/65/73/24/856657324.db2.gz HXDZLKCPIKNZJR-LBPRGKRZSA-N 2 0 264.373 0.752 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]CC(C)C)CC1 ZINC001346104571 891466777 /nfs/dbraw/zinc/46/67/77/891466777.db2.gz ABSCNVMLZFMSEN-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[N@@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480947213 891924614 /nfs/dbraw/zinc/92/46/14/891924614.db2.gz NAHQLQHWGZLCKK-CYBMUJFWSA-N 2 0 269.389 0.189 20 30 CCEDRP CC#CC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480997808 892038767 /nfs/dbraw/zinc/03/87/67/892038767.db2.gz LZHQAKNJTZYUFX-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481096984 892161950 /nfs/dbraw/zinc/16/19/50/892161950.db2.gz WPYWSFFWZYPIAQ-KGLIPLIRSA-N 2 0 283.391 0.738 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481492687 892739754 /nfs/dbraw/zinc/73/97/54/892739754.db2.gz XKBYOUXTSJLOQB-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481506809 892754254 /nfs/dbraw/zinc/75/42/54/892754254.db2.gz LCZAYKKIUPVORA-ZIAGYGMSSA-N 2 0 265.401 0.904 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481696274 893028593 /nfs/dbraw/zinc/02/85/93/893028593.db2.gz VHDOCFAIKQZTCX-KBPBESRZSA-N 2 0 281.400 0.331 20 30 CCEDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC)[NH+](C)C ZINC001482063024 893347663 /nfs/dbraw/zinc/34/76/63/893347663.db2.gz RTESKNSMPWTGAB-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482167058 893452546 /nfs/dbraw/zinc/45/25/46/893452546.db2.gz AKEMIKOELPFJKK-AWEZNQCLSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482170059 893455588 /nfs/dbraw/zinc/45/55/88/893455588.db2.gz YPNRLROPFIALOB-OLZOCXBDSA-N 2 0 251.374 0.303 20 30 CCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001482518350 894176482 /nfs/dbraw/zinc/17/64/82/894176482.db2.gz OWPGNAUYWVTLCO-GJZGRUSLSA-N 2 0 295.427 0.461 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482942880 894712515 /nfs/dbraw/zinc/71/25/15/894712515.db2.gz VXMAPEJNHHXJOX-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C=CC[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001482947030 894718472 /nfs/dbraw/zinc/71/84/72/894718472.db2.gz DAQYXNKQISXMJD-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP CC#CC[NH2+]CCN(CC)C(=O)CCC[NH+](C)C ZINC001482949214 894725386 /nfs/dbraw/zinc/72/53/86/894725386.db2.gz UHEIPPDEBJROTG-UHFFFAOYSA-N 2 0 253.390 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597903 895672994 /nfs/dbraw/zinc/67/29/94/895672994.db2.gz DLJRPMRBIMDGAG-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001483941212 896126815 /nfs/dbraw/zinc/12/68/15/896126815.db2.gz PUBKZNPGMUNQGR-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)CCc2c[nH]cn2)CCC1 ZINC001484636410 896509689 /nfs/dbraw/zinc/50/96/89/896509689.db2.gz BHVMZMKVBLRZSB-UHFFFAOYSA-N 2 0 274.368 0.994 20 30 CCEDRP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001485095804 896774681 /nfs/dbraw/zinc/77/46/81/896774681.db2.gz DVUVYANGRUFEBI-NRXISQOPSA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001485382463 897007502 /nfs/dbraw/zinc/00/75/02/897007502.db2.gz FLDMFQAIDRMMGT-UONOGXRCSA-N 2 0 281.400 0.024 20 30 CCEDRP C#CCN1CC([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001485539256 897108045 /nfs/dbraw/zinc/10/80/45/897108045.db2.gz ISLLYEMQDXVWOT-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001485814708 897278789 /nfs/dbraw/zinc/27/87/89/897278789.db2.gz UFZDJVUDCRCXQT-AWEZNQCLSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416257 897905314 /nfs/dbraw/zinc/90/53/14/897905314.db2.gz FQASEQYKOVVSLF-HUUCEWRRSA-N 2 0 293.411 0.309 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927701 898062418 /nfs/dbraw/zinc/06/24/18/898062418.db2.gz AVIUDRIAYBEMTL-HUUCEWRRSA-N 2 0 295.427 0.454 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485956613 898518620 /nfs/dbraw/zinc/51/86/20/898518620.db2.gz YQNZXJOSPKELKL-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H](C)CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001485960554 898560348 /nfs/dbraw/zinc/56/03/48/898560348.db2.gz IIUFVNDONJJXEP-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001485996704 898584006 /nfs/dbraw/zinc/58/40/06/898584006.db2.gz RJEZPRDDZPHESL-HZSPNIEDSA-N 2 0 283.416 0.360 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486499087 898911406 /nfs/dbraw/zinc/91/14/06/898911406.db2.gz JGPBKAYSLUKLNO-UHFFFAOYSA-N 2 0 293.411 0.170 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC001327033952 914325487 /nfs/dbraw/zinc/32/54/87/914325487.db2.gz GVZCLULOCBDTST-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC#CCOC)C(C)C ZINC001135477523 899838636 /nfs/dbraw/zinc/83/86/36/899838636.db2.gz HMKCQUNZYCVERU-HNNXBMFYSA-N 2 0 297.443 0.708 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001488774199 900375381 /nfs/dbraw/zinc/37/53/81/900375381.db2.gz ULSMUSMXTZXDNY-MJBXVCDLSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001488954693 900420514 /nfs/dbraw/zinc/42/05/14/900420514.db2.gz KXGKQDWHJFLMBE-QLFBSQMISA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[N@@H+](C)CCOCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001489213564 900448690 /nfs/dbraw/zinc/44/86/90/900448690.db2.gz DNLXJWPYRLXMHA-UHFFFAOYSA-N 2 0 295.427 0.511 20 30 CCEDRP CC#CC[N@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC001490275809 900589722 /nfs/dbraw/zinc/58/97/22/900589722.db2.gz HRFDSVPHYUBUOS-UHFFFAOYSA-N 2 0 262.357 0.722 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001275639200 901162449 /nfs/dbraw/zinc/16/24/49/901162449.db2.gz TUSILQVFUALFGT-AWEZNQCLSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001327602542 914646342 /nfs/dbraw/zinc/64/63/42/914646342.db2.gz FEQBQVYFAIMROX-GOEBONIOSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001491220699 903452904 /nfs/dbraw/zinc/45/29/04/903452904.db2.gz HNIAXNNDZUCADB-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001491479108 903618139 /nfs/dbraw/zinc/61/81/39/903618139.db2.gz VLIYIVXCMGUNGE-GFCCVEGCSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001281645039 904314886 /nfs/dbraw/zinc/31/48/86/904314886.db2.gz RZZFMMDMUAIXEG-UHFFFAOYSA-N 2 0 295.427 0.293 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001282231302 904437221 /nfs/dbraw/zinc/43/72/21/904437221.db2.gz XCBUQDBDKJFCPK-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001282914766 904595527 /nfs/dbraw/zinc/59/55/27/904595527.db2.gz LKLZAEPBFIFQPQ-KGLIPLIRSA-N 2 0 293.411 0.167 20 30 CCEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284501414 905334273 /nfs/dbraw/zinc/33/42/73/905334273.db2.gz DHKLDKRTHGIZFV-GJZGRUSLSA-N 2 0 295.427 0.245 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284854555 905443747 /nfs/dbraw/zinc/44/37/47/905443747.db2.gz JDDIIKXXHMXFFP-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@@H+]1C ZINC001337156352 921203367 /nfs/dbraw/zinc/20/33/67/921203367.db2.gz JSHULLFSHBFOCX-LFPJIICWSA-N 2 0 292.383 0.585 20 30 CCEDRP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@@H+]1C ZINC001337156351 921204237 /nfs/dbraw/zinc/20/42/37/921204237.db2.gz JSHULLFSHBFOCX-JLYMINNFSA-N 2 0 292.383 0.585 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001491755733 907547042 /nfs/dbraw/zinc/54/70/42/907547042.db2.gz JRIBNXPZRLAVSN-HNNXBMFYSA-N 2 0 277.412 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001492026947 907696296 /nfs/dbraw/zinc/69/62/96/907696296.db2.gz FRIBHDATCIGABL-BFHYXJOUSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001492126933 907712430 /nfs/dbraw/zinc/71/24/30/907712430.db2.gz BZLXUIOXMRZTQP-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC)CC1 ZINC001318606561 909837521 /nfs/dbraw/zinc/83/75/21/909837521.db2.gz LTSKFJDYVRRCTC-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001318713568 909870692 /nfs/dbraw/zinc/87/06/92/909870692.db2.gz MYCQAKWHUJMGFB-OAHLLOKOSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319533419 910189849 /nfs/dbraw/zinc/18/98/49/910189849.db2.gz FUEBZBHUAYFWAN-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319604144 910223192 /nfs/dbraw/zinc/22/31/92/910223192.db2.gz KGAYYJSKZWBVBH-KBPBESRZSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001320043037 910433996 /nfs/dbraw/zinc/43/39/96/910433996.db2.gz SYJKQWFKLYOIPA-UHFFFAOYSA-N 2 0 267.417 0.988 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001320184862 910499297 /nfs/dbraw/zinc/49/92/97/910499297.db2.gz QKTPBUXQRZBEMI-KBPBESRZSA-N 2 0 263.385 0.590 20 30 CCEDRP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322796026 911961602 /nfs/dbraw/zinc/96/16/02/911961602.db2.gz KIWAKACDSRTGIM-OAHLLOKOSA-N 2 0 297.443 0.661 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001330445103 916635694 /nfs/dbraw/zinc/63/56/94/916635694.db2.gz JMVUXQJQKBHLOU-KBPBESRZSA-N 2 0 281.400 0.165 20 30 CCEDRP C[NH2+][C@H](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331322564 917263425 /nfs/dbraw/zinc/26/34/25/917263425.db2.gz PYASKTZMGBLHFK-JJMZSNKZSA-N 2 0 264.373 0.240 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001331476072 917357975 /nfs/dbraw/zinc/35/79/75/917357975.db2.gz SJZBGBDYWHOHKH-KBPBESRZSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001332647442 918346996 /nfs/dbraw/zinc/34/69/96/918346996.db2.gz KMBWZQFDVGZPLF-AWEZNQCLSA-N 2 0 292.383 0.048 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001339772252 921822410 /nfs/dbraw/zinc/82/24/10/921822410.db2.gz LORJGALRDZCFFS-CQSZACIVSA-N 2 0 292.427 0.725 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001341550397 922548165 /nfs/dbraw/zinc/54/81/65/922548165.db2.gz YYPLQSQNKNOBIL-RYUDHWBXSA-N 2 0 252.362 0.656 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001341590707 922567579 /nfs/dbraw/zinc/56/75/79/922567579.db2.gz GTHMGVATRQAKSA-JFGNBEQYSA-N 2 0 257.765 0.796 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001341677068 922624613 /nfs/dbraw/zinc/62/46/13/922624613.db2.gz JFNSSTYZOHNCNW-IHRRRGAJSA-N 2 0 281.400 0.649 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001341734310 922647087 /nfs/dbraw/zinc/64/70/87/922647087.db2.gz VTMQTAUJNYGTOS-UONOGXRCSA-N 2 0 282.432 0.422 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001342432885 922960587 /nfs/dbraw/zinc/96/05/87/922960587.db2.gz YPCGUGAATHUSAR-ZIAGYGMSSA-N 2 0 295.427 0.945 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342840406 923109401 /nfs/dbraw/zinc/10/94/01/923109401.db2.gz NQNJZHZMOBVXOG-INIZCTEOSA-N 2 0 275.396 0.734 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344720647 923673656 /nfs/dbraw/zinc/67/36/56/923673656.db2.gz PSKMKTSOPUTABG-IWSPIJDZSA-N 2 0 278.278 0.356 20 30 CCEDRP CC1(C)CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC001345491617 923905693 /nfs/dbraw/zinc/90/56/93/923905693.db2.gz VQCPIKYGBLKZKH-LBPRGKRZSA-N 2 0 266.389 0.856 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001346191599 924103177 /nfs/dbraw/zinc/10/31/77/924103177.db2.gz OMEMLWJBYLBOIH-ZDUSSCGKSA-N 2 0 251.374 0.446 20 30 CCEDRP CN(CC1CC[NH2+]CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC001346333894 924164727 /nfs/dbraw/zinc/16/47/27/924164727.db2.gz HFPYLOBVPHRMNF-UHFFFAOYSA-N 2 0 263.385 0.447 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422343334 927231702 /nfs/dbraw/zinc/23/17/02/927231702.db2.gz KKPIWXGIHNPPAO-LLVKDONJSA-N 2 0 289.807 0.147 20 30 CCEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600726865 362046990 /nfs/dbraw/zinc/04/69/90/362046990.db2.gz HRVDEWDKHMIMSB-HNNXBMFYSA-N 2 0 294.443 0.657 20 30 CCEDRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C[NH2+]1 ZINC000602556522 362677712 /nfs/dbraw/zinc/67/77/12/362677712.db2.gz VOGQCNAVILVSAA-UTUOFQBUSA-N 2 0 252.362 0.654 20 30 CCEDRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602847333 362834983 /nfs/dbraw/zinc/83/49/83/362834983.db2.gz AITGNAWGYHTAHL-KFWWJZLASA-N 2 0 282.432 0.606 20 30 CCEDRP C[C@H]1CC2(CN1C(=O)[C@@H]([NH3+])CCCC#N)CC[NH2+]CC2 ZINC000331657215 354616423 /nfs/dbraw/zinc/61/64/23/354616423.db2.gz OJOBMCDZYZKWDJ-STQMWFEESA-N 2 0 278.400 0.998 20 30 CCEDRP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000591726615 359648509 /nfs/dbraw/zinc/64/85/09/359648509.db2.gz WDLKNHBZXUYWJP-SOUVJXGZSA-N 2 0 280.416 0.409 20 30 CCEDRP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000611266463 363699185 /nfs/dbraw/zinc/69/91/85/363699185.db2.gz YJKNOMPHPAODRW-HUUCEWRRSA-N 2 0 267.417 0.635 20 30 CCEDRP CC[C@H](C#N)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000593450844 360091322 /nfs/dbraw/zinc/09/13/22/360091322.db2.gz PFJLXIZJARSSRW-GFCCVEGCSA-N 2 0 254.378 0.488 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[NH3+] ZINC000593915316 360210406 /nfs/dbraw/zinc/21/04/06/360210406.db2.gz ITODWCXGRLOXIF-FRRDWIJNSA-N 2 0 266.389 0.983 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1C ZINC000594437833 360306173 /nfs/dbraw/zinc/30/61/73/360306173.db2.gz KZMCVOVKAXODGO-AGIUHOORSA-N 2 0 266.389 0.997 20 30 CCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426684 360300575 /nfs/dbraw/zinc/30/05/75/360300575.db2.gz RBUKKROBVKFWLO-RYUDHWBXSA-N 2 0 254.378 0.887 20 30 CCEDRP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000594426111 360301054 /nfs/dbraw/zinc/30/10/54/360301054.db2.gz NJQFHNUNIRFYJO-CHWSQXEVSA-N 2 0 266.389 0.998 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C[NH2+]1 ZINC000594439193 360308742 /nfs/dbraw/zinc/30/87/42/360308742.db2.gz PLWYPYAXKYBPFB-UTUOFQBUSA-N 2 0 252.362 0.606 20 30 CCEDRP C[NH+](C)CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC1 ZINC000594469639 360320729 /nfs/dbraw/zinc/32/07/29/360320729.db2.gz JQFXFHUCXMMDKI-ZDUSSCGKSA-N 2 0 266.389 0.950 20 30 CCEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598722688 361497082 /nfs/dbraw/zinc/49/70/82/361497082.db2.gz COCUUTQBPGEFOJ-OAHLLOKOSA-N 2 0 296.459 0.903 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159933033 801892112 /nfs/dbraw/zinc/89/21/12/801892112.db2.gz YGJPEXGSDSZKOR-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CC[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629549300 369701180 /nfs/dbraw/zinc/70/11/80/369701180.db2.gz JUSPBQZGHVHOAK-ZDUSSCGKSA-N 2 0 251.374 0.706 20 30 CCEDRP C=CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000656479604 412810128 /nfs/dbraw/zinc/81/01/28/412810128.db2.gz VHGQNIPLSQWOAK-KBPBESRZSA-N 2 0 293.411 0.964 20 30 CCEDRP C[NH+]=C(NCc1nccn1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261995951 389279670 /nfs/dbraw/zinc/27/96/70/389279670.db2.gz SITGTHYLYJYCSU-OLZOCXBDSA-N 2 0 292.431 0.814 20 30 CCEDRP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1CCC[N@@H+]1C ZINC000262805867 389296022 /nfs/dbraw/zinc/29/60/22/389296022.db2.gz NLZGXLUPWVVIPB-ZDUSSCGKSA-N 2 0 292.431 0.796 20 30 CCEDRP CC[NH+]1CCN(CCNC(NCc2ccco2)=[NH+]C)CC1 ZINC000264026759 389303944 /nfs/dbraw/zinc/30/39/44/389303944.db2.gz BRKZBJWZDYZHIG-UHFFFAOYSA-N 2 0 293.415 0.582 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cnn(C)c1 ZINC000264076304 389304679 /nfs/dbraw/zinc/30/46/79/389304679.db2.gz FSQVNHHZPJDYHY-CYBMUJFWSA-N 2 0 278.404 0.351 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])CC)CC1 ZINC000417525801 389827233 /nfs/dbraw/zinc/82/72/33/389827233.db2.gz LKTMSJQVTXETDD-LLVKDONJSA-N 2 0 254.378 0.673 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000491441113 390113523 /nfs/dbraw/zinc/11/35/23/390113523.db2.gz UEOCQNSSGYLAJM-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C=CCN(CC=C)C(=O)CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405281648 411800015 /nfs/dbraw/zinc/80/00/15/411800015.db2.gz BXIRRSJKLZWRQI-ZIAGYGMSSA-N 2 0 281.400 0.483 20 30 CCEDRP C=CC[C@]1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC[NH2+]1 ZINC000662412808 414715754 /nfs/dbraw/zinc/71/57/54/414715754.db2.gz QWTRFYDPRJAHIN-GXTWGEPZSA-N 2 0 251.374 0.801 20 30 CCEDRP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000313013185 260234540 /nfs/dbraw/zinc/23/45/40/260234540.db2.gz OLHBNPPERNSQJZ-OAHLLOKOSA-N 2 0 278.400 0.776 20 30 CCEDRP C[NH+]=C(NCc1ccnn1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158457767 261164852 /nfs/dbraw/zinc/16/48/52/261164852.db2.gz QPUZZVQCGXDNKL-JSGCOSHPSA-N 2 0 292.431 0.814 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1noc(C)n1 ZINC000262332781 328149008 /nfs/dbraw/zinc/14/90/08/328149008.db2.gz BHCMHHAMHGEJSG-SNVBAGLBSA-N 2 0 266.349 0.267 20 30 CCEDRP CCCNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270542617 328193496 /nfs/dbraw/zinc/19/34/96/328193496.db2.gz CNVHZKPRXGOSIP-UHFFFAOYSA-N 2 0 279.388 0.836 20 30 CCEDRP CC1(C)CN(CCNC(=[NH2+])N2CCSCC2)CCO1 ZINC000170912910 329072280 /nfs/dbraw/zinc/07/22/80/329072280.db2.gz URZRMZRKOGMTKR-UHFFFAOYSA-N 2 0 286.445 0.461 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912914 329072358 /nfs/dbraw/zinc/07/23/58/329072358.db2.gz HEYYKIWAEPEPBI-UHFFFAOYSA-N 2 0 254.378 0.578 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000262473137 330015833 /nfs/dbraw/zinc/01/58/33/330015833.db2.gz PMMPNLASPNOGMY-KBPBESRZSA-N 2 0 297.447 0.048 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262481662 330016642 /nfs/dbraw/zinc/01/66/42/330016642.db2.gz RRKIYUFHGBVVGN-QWHCGFSZSA-N 2 0 268.405 0.754 20 30 CCEDRP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCOCC1 ZINC000262573683 330021970 /nfs/dbraw/zinc/02/19/70/330021970.db2.gz NOKZHANPCVYMRY-LBPRGKRZSA-N 2 0 284.404 0.181 20 30 CCEDRP CN(C)C(=[NH+]CC(=O)NCC[NH+]1CCCCCC1)N(C)C ZINC000262658682 330024942 /nfs/dbraw/zinc/02/49/42/330024942.db2.gz VXMRJJBZSUSPNS-UHFFFAOYSA-N 2 0 297.447 0.458 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCCC1 ZINC000262744280 330028913 /nfs/dbraw/zinc/02/89/13/330028913.db2.gz DFTLZZKESARJHI-CYBMUJFWSA-N 2 0 265.405 0.048 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(C2CC2)C1 ZINC000262737439 330029069 /nfs/dbraw/zinc/02/90/69/330029069.db2.gz CUBIGYPWHGAOSL-TZMCWYRMSA-N 2 0 296.415 0.194 20 30 CCEDRP C[NH+]=C(NCC1(O)CCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000262800537 330032453 /nfs/dbraw/zinc/03/24/53/330032453.db2.gz RAQUAWPOLPFDJV-UHFFFAOYSA-N 2 0 294.443 0.941 20 30 CCEDRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424139430 330279132 /nfs/dbraw/zinc/27/91/32/330279132.db2.gz VGVSTRXQLMJBPA-HZSPNIEDSA-N 2 0 296.415 0.623 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1C[C@H](C)O ZINC000424149228 330295821 /nfs/dbraw/zinc/29/58/21/330295821.db2.gz VYJRFEBHPIIWSV-MJBXVCDLSA-N 2 0 296.415 0.311 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000424158936 330305719 /nfs/dbraw/zinc/30/57/19/330305719.db2.gz PGIFEOOLGABEIV-ZDUSSCGKSA-N 2 0 278.400 1.000 20 30 CCEDRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C[NH3+] ZINC000424192131 330323853 /nfs/dbraw/zinc/32/38/53/330323853.db2.gz IOHYGMJDPZNWHK-WOPDTQHZSA-N 2 0 252.362 0.451 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000490763858 332114063 /nfs/dbraw/zinc/11/40/63/332114063.db2.gz XIQYXYSJFOYBPW-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000491326912 332191018 /nfs/dbraw/zinc/19/10/18/332191018.db2.gz RIBPUOLGIBTHLZ-ZIAGYGMSSA-N 2 0 292.427 0.866 20 30 CCEDRP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000491658340 332269253 /nfs/dbraw/zinc/26/92/53/332269253.db2.gz VZKYYOSCHBYXRW-CQSZACIVSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000491703727 332297460 /nfs/dbraw/zinc/29/74/60/332297460.db2.gz ZMFYIBMHHFHZLD-HNNXBMFYSA-N 2 0 294.443 0.923 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000491803364 332357363 /nfs/dbraw/zinc/35/73/63/332357363.db2.gz JDWYQRHHJWJRDF-KBPBESRZSA-N 2 0 280.416 0.568 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000179033487 333079283 /nfs/dbraw/zinc/07/92/83/333079283.db2.gz FGJJJHMIWAHQHL-HNNXBMFYSA-N 2 0 298.431 0.249 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578979419 335694890 /nfs/dbraw/zinc/69/48/90/335694890.db2.gz FSLGWSCOIBETNQ-TZMCWYRMSA-N 2 0 264.373 0.610 20 30 CCEDRP C[NH+]=C(NCc1nc(C)no1)NC1CC[NH+](C(C)C)CC1 ZINC000114089856 526390356 /nfs/dbraw/zinc/39/03/56/526390356.db2.gz ALOROSVKADTAHV-UHFFFAOYSA-N 2 0 294.403 0.916 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669465233 545209093 /nfs/dbraw/zinc/20/90/93/545209093.db2.gz BDKZGZCNEVTXIQ-UHFFFAOYSA-N 2 0 266.389 0.688 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000730271188 581688902 /nfs/dbraw/zinc/68/89/02/581688902.db2.gz OCLBANHEWZASJI-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000764608847 582058489 /nfs/dbraw/zinc/05/84/89/582058489.db2.gz QKBLUKLGCYDQRD-NEPJUHHUSA-N 2 0 251.374 0.846 20 30 CCEDRP CC(C)[C@@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884034346 614118210 /nfs/dbraw/zinc/11/82/10/614118210.db2.gz CCNOGWQPDGAORX-ATJQQHLPSA-N 2 0 264.373 0.225 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000820197904 612998851 /nfs/dbraw/zinc/99/88/51/612998851.db2.gz UNHVVHKBTNHZOA-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891921785 613073982 /nfs/dbraw/zinc/07/39/82/613073982.db2.gz VURUYPZVXWLILU-UONOGXRCSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000836315163 613076389 /nfs/dbraw/zinc/07/63/89/613076389.db2.gz BUFRTEFLDUELRY-OAHLLOKOSA-N 2 0 292.427 0.725 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000836487199 613076506 /nfs/dbraw/zinc/07/65/06/613076506.db2.gz AMDDWHINZFPREN-HUUCEWRRSA-N 2 0 292.427 0.868 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000971782444 613082494 /nfs/dbraw/zinc/08/24/94/613082494.db2.gz WBULKWSLNJJVCY-CHWSQXEVSA-N 2 0 251.374 0.493 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972236077 613089191 /nfs/dbraw/zinc/08/91/91/613089191.db2.gz VOFZBESWGDVKDJ-AWEZNQCLSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972734167 613090353 /nfs/dbraw/zinc/09/03/53/613090353.db2.gz WLTYHWCZYVVFOT-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000925357419 613134892 /nfs/dbraw/zinc/13/48/92/613134892.db2.gz WUUCTYOCZMLXRK-GXTWGEPZSA-N 2 0 278.400 0.476 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000928648339 613136362 /nfs/dbraw/zinc/13/63/62/613136362.db2.gz LBNBESQRQUYIDU-GJZGRUSLSA-N 2 0 291.395 0.063 20 30 CCEDRP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148253 613142053 /nfs/dbraw/zinc/14/20/53/613142053.db2.gz APIFLUXLRZLWOC-CQSZACIVSA-N 2 0 275.396 0.496 20 30 CCEDRP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905463146 613192788 /nfs/dbraw/zinc/19/27/88/613192788.db2.gz XRSIXPZFYKZWMX-LSDHHAIUSA-N 2 0 265.401 0.130 20 30 CCEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978463915 613310548 /nfs/dbraw/zinc/31/05/48/613310548.db2.gz AGITZVNCZFZPAO-PHZGNYQRSA-N 2 0 294.358 0.875 20 30 CCEDRP C=C(C)CONC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875697770 613353205 /nfs/dbraw/zinc/35/32/05/613353205.db2.gz OPBYVVRUUZXUDQ-ZIAGYGMSSA-N 2 0 298.431 0.875 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000912537444 613363567 /nfs/dbraw/zinc/36/35/67/613363567.db2.gz DSYACKJFHAGDSW-UHFFFAOYSA-N 2 0 295.427 0.818 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000908345776 613364312 /nfs/dbraw/zinc/36/43/12/613364312.db2.gz DNCVTBZACAXGMT-CHWSQXEVSA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000900756896 613364768 /nfs/dbraw/zinc/36/47/68/613364768.db2.gz VTGBRLLJKFPCFO-UHFFFAOYSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000900981959 613364818 /nfs/dbraw/zinc/36/48/18/613364818.db2.gz UFEFRNJZLHJKAA-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000908541702 613364856 /nfs/dbraw/zinc/36/48/56/613364856.db2.gz VFLIOBBBYBLHQN-AWEZNQCLSA-N 2 0 283.416 0.457 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900808023 613365552 /nfs/dbraw/zinc/36/55/52/613365552.db2.gz XXZPUJMNZPIZKA-ZIAGYGMSSA-N 2 0 282.432 0.245 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841457094 613366271 /nfs/dbraw/zinc/36/62/71/613366271.db2.gz NSAKFFFUKNLSKC-OLZOCXBDSA-N 2 0 269.389 0.018 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876920428 613389384 /nfs/dbraw/zinc/38/93/84/613389384.db2.gz RHDASPMAFGKTMY-UWVGGRQHSA-N 2 0 261.753 0.033 20 30 CCEDRP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959920541 613565229 /nfs/dbraw/zinc/56/52/29/613565229.db2.gz KMSBVHNTAISWSS-CAOSSQGBSA-N 2 0 289.423 0.951 20 30 CCEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923374803 613590921 /nfs/dbraw/zinc/59/09/21/613590921.db2.gz CNVNPTGZCLPBIO-KGLIPLIRSA-N 2 0 279.388 0.701 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980397928 613631802 /nfs/dbraw/zinc/63/18/02/613631802.db2.gz SQSRQHIBQBTRBS-OLZOCXBDSA-N 2 0 251.374 0.657 20 30 CCEDRP CC(C)C[C@@H](C[NH3+])NC(=O)C#CC1CC[NH2+]CC1 ZINC000852796793 614188758 /nfs/dbraw/zinc/18/87/58/614188758.db2.gz HNFCFUUYGSQODS-ZDUSSCGKSA-N 2 0 251.374 0.479 20 30 CCEDRP CCNC(NCCCC[N@@H+]1CCC[C@H]1CO)=[NH+]CC ZINC000849214508 614420770 /nfs/dbraw/zinc/42/07/70/614420770.db2.gz IKXYPGKGNGVAHX-ZDUSSCGKSA-N 2 0 270.421 0.798 20 30 CCEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913517508 614661531 /nfs/dbraw/zinc/66/15/31/614661531.db2.gz DLWREVVYPLRAQF-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP CC1(C)[C@H](O)CC[NH+]1CC#CC[N@H+]1CC[C@H](O)C1(C)C ZINC000812868798 614855157 /nfs/dbraw/zinc/85/51/57/614855157.db2.gz NRDKTWDEQVYXJD-OKILXGFUSA-N 2 0 280.412 0.680 20 30 CCEDRP CCCC[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863676 614949017 /nfs/dbraw/zinc/94/90/17/614949017.db2.gz QSAZNEURMQUQNF-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP CCCCNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000104169839 614962323 /nfs/dbraw/zinc/96/23/23/614962323.db2.gz DLLKHQGYQIKKPX-UHFFFAOYSA-N 2 0 269.437 0.718 20 30 CCEDRP CCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000104174541 614962378 /nfs/dbraw/zinc/96/23/78/614962378.db2.gz ZDAGMIXRMQTOSW-CYBMUJFWSA-N 2 0 269.437 0.574 20 30 CCEDRP CCN1CC[NH+](CCCCNC2=[NH+]CCN2C)CC1 ZINC000848990003 615156987 /nfs/dbraw/zinc/15/69/87/615156987.db2.gz QVUVKWPQLGDQBN-UHFFFAOYSA-N 2 0 267.421 0.295 20 30 CCEDRP CC[N@@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859598 615204000 /nfs/dbraw/zinc/20/40/00/615204000.db2.gz XSYVQRKDVLODEV-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H](C[NH3+])C1CC1 ZINC000884338765 615799272 /nfs/dbraw/zinc/79/92/72/615799272.db2.gz RCGYIFYXOFXCMD-SBEAFCBVSA-N 2 0 276.384 0.321 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000913521962 615860669 /nfs/dbraw/zinc/86/06/69/615860669.db2.gz UYZRKYOXBNWPGX-UHFFFAOYSA-N 2 0 274.368 0.438 20 30 CCEDRP C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884197665 616189366 /nfs/dbraw/zinc/18/93/66/616189366.db2.gz ARRHKVMYFAQMEZ-DNCHLWJUSA-N 2 0 276.384 0.336 20 30 CCEDRP COCC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852861990 616324648 /nfs/dbraw/zinc/32/46/48/616324648.db2.gz PDQNLRHVVPPXFX-UHFFFAOYSA-N 2 0 293.411 0.216 20 30 CCEDRP C[NH2+]CC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852795999 616936837 /nfs/dbraw/zinc/93/68/37/616936837.db2.gz OEEQHOFDNTYRBH-UHFFFAOYSA-N 2 0 263.385 0.447 20 30 CCEDRP COCC[N@H+](C)CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852860251 616951305 /nfs/dbraw/zinc/95/13/05/616951305.db2.gz OPVCSQJLXKSFFD-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C[NH2+]CCOc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000884250055 616970520 /nfs/dbraw/zinc/97/05/20/616970520.db2.gz WQBMLJRHVDOORB-GXTWGEPZSA-N 2 0 288.351 0.126 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001020235785 625294165 /nfs/dbraw/zinc/29/41/65/625294165.db2.gz DNRKVCSKNNNQFC-KKUMJFAQSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001023123587 622917964 /nfs/dbraw/zinc/91/79/64/622917964.db2.gz YGECCJVWRIKOIN-SYQHCUMBSA-N 2 0 263.385 0.729 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001020925799 624625791 /nfs/dbraw/zinc/62/57/91/624625791.db2.gz YLPALVOVASWAST-AVGNSLFASA-N 2 0 251.374 0.751 20 30 CCEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)C1 ZINC000178564056 631385048 /nfs/dbraw/zinc/38/50/48/631385048.db2.gz QZOLTLDPWBWNLP-LBPRGKRZSA-N 2 0 256.394 0.659 20 30 CCEDRP [NH2+]=C(NCC[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000261727523 631551188 /nfs/dbraw/zinc/55/11/88/631551188.db2.gz GVCRPZOIQZVZAH-GFCCVEGCSA-N 2 0 254.378 0.556 20 30 CCEDRP CC[C@](C)(O)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261859602 631659194 /nfs/dbraw/zinc/65/91/94/631659194.db2.gz ZDJSHJBLKZDULX-KYOSRNDESA-N 2 0 282.432 0.795 20 30 CCEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000985652279 632610010 /nfs/dbraw/zinc/61/00/10/632610010.db2.gz DZBISNFKHILQAK-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC000987275211 632854812 /nfs/dbraw/zinc/85/48/12/632854812.db2.gz CODJCGFCCKHVGB-DZGCQCFKSA-N 2 0 293.411 0.309 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992432157 637405250 /nfs/dbraw/zinc/40/52/50/637405250.db2.gz POMYCKJKVPZUMH-YOEHRIQHSA-N 2 0 287.407 0.829 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996301449 638814890 /nfs/dbraw/zinc/81/48/90/638814890.db2.gz SYCPLYHPMHGFAO-KGLIPLIRSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999510151 638983380 /nfs/dbraw/zinc/98/33/80/638983380.db2.gz UZBVISBRAKWDNH-UHFFFAOYSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042046 639365703 /nfs/dbraw/zinc/36/57/03/639365703.db2.gz AHWQMYHARAYIJZ-UHFFFAOYSA-N 2 0 289.423 0.934 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626054 639580467 /nfs/dbraw/zinc/58/04/67/639580467.db2.gz KPXPNFUXOGPNRY-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C[C@@H](C#N)OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000801915314 640673557 /nfs/dbraw/zinc/67/35/57/640673557.db2.gz PUUMAGLWDOQLBX-AWEZNQCLSA-N 2 0 281.400 0.959 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001015998882 650672252 /nfs/dbraw/zinc/67/22/52/650672252.db2.gz RFGLFAXFQXJTJO-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000834484651 642576510 /nfs/dbraw/zinc/57/65/10/642576510.db2.gz LINMPOAYFXRNAM-VOAKCMCISA-N 2 0 264.373 0.512 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000834485630 642577847 /nfs/dbraw/zinc/57/78/47/642577847.db2.gz ZOFASZXZCUPLTE-RAIGVLPGSA-N 2 0 276.315 0.096 20 30 CCEDRP C[C@H]1C[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000852870435 644034476 /nfs/dbraw/zinc/03/44/76/644034476.db2.gz OGLGDLJMKZZDLJ-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852885014 644042482 /nfs/dbraw/zinc/04/24/82/644042482.db2.gz RLNGLYVGYKUJJU-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP [NH3+]CCCCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852895381 644047978 /nfs/dbraw/zinc/04/79/78/644047978.db2.gz YZSKEFLGEMRYHG-UHFFFAOYSA-N 2 0 251.374 0.625 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001018856485 650916060 /nfs/dbraw/zinc/91/60/60/650916060.db2.gz HHGAADYVYSKYSM-KBPBESRZSA-N 2 0 261.369 0.152 20 30 CCEDRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876727104 646650929 /nfs/dbraw/zinc/65/09/29/646650929.db2.gz FCNOMBRWPPFEOI-CZUORRHYSA-N 2 0 298.390 0.813 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000876869580 646687108 /nfs/dbraw/zinc/68/71/08/646687108.db2.gz HKRUGNYMROCZRC-XPKDYRNWSA-N 2 0 298.390 0.989 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877185499 646751714 /nfs/dbraw/zinc/75/17/14/646751714.db2.gz CHIOSDWLXIYLIY-MBHSVXNSSA-N 2 0 264.373 0.880 20 30 CCEDRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C2 ZINC000877373355 646804835 /nfs/dbraw/zinc/80/48/35/646804835.db2.gz ZHOJJPYUWVIHSG-OUCADQQQSA-N 2 0 264.373 0.466 20 30 CCEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCCCC1)C2 ZINC000884181673 647661221 /nfs/dbraw/zinc/66/12/21/647661221.db2.gz LVPPWKBVYAKGBK-BBBYJDLNSA-N 2 0 290.411 0.728 20 30 CCEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)C[NH2+]1 ZINC000884246389 647678143 /nfs/dbraw/zinc/67/81/43/647678143.db2.gz PWPZQHOJGBOMIT-BUGODDKZSA-N 2 0 276.384 0.335 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884287013 647694762 /nfs/dbraw/zinc/69/47/62/647694762.db2.gz QTSAERIXRDVEBO-QSWRIGGJSA-N 2 0 290.411 0.628 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000104172554 648204274 /nfs/dbraw/zinc/20/42/74/648204274.db2.gz CQEMSSBZEZGGJA-WDEREUQCSA-N 2 0 254.378 0.410 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303381913 649817598 /nfs/dbraw/zinc/81/75/98/649817598.db2.gz SEHBOMQWEZSRBP-CQSZACIVSA-N 2 0 297.447 0.097 20 30 CCEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000303895480 649826524 /nfs/dbraw/zinc/82/65/24/649826524.db2.gz TWFBFVDHDDZRAO-ZDUSSCGKSA-N 2 0 268.405 0.754 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000303907832 649826759 /nfs/dbraw/zinc/82/67/59/649826759.db2.gz XDAHANFDWDVCRW-STQMWFEESA-N 2 0 268.405 0.896 20 30 CCEDRP CN1CC[NH+](CCCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303902846 649826774 /nfs/dbraw/zinc/82/67/74/649826774.db2.gz UFEMHQDCCLKXAT-UHFFFAOYSA-N 2 0 281.448 0.815 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000303971842 649827187 /nfs/dbraw/zinc/82/71/87/649827187.db2.gz FEIBIBMANSEEED-NSHDSACASA-N 2 0 256.394 0.800 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303972481 649827459 /nfs/dbraw/zinc/82/74/59/649827459.db2.gz FUACXNUTKDAGRJ-ZDUSSCGKSA-N 2 0 297.447 0.489 20 30 CCEDRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])N2CCCCC2)C1 ZINC000303972745 649827647 /nfs/dbraw/zinc/82/76/47/649827647.db2.gz GDUADQZYGOEMLV-ZDUSSCGKSA-N 2 0 295.431 0.374 20 30 CCEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303980235 649828038 /nfs/dbraw/zinc/82/80/38/649828038.db2.gz NXUIUSTVBCAAMR-UHFFFAOYSA-N 2 0 281.448 0.815 20 30 CCEDRP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266549679 790912316 /nfs/dbraw/zinc/91/23/16/790912316.db2.gz BIYVZMMZCXYLHW-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267033263 791466503 /nfs/dbraw/zinc/46/65/03/791466503.db2.gz SFSVEURDVWDFAR-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627278 791654725 /nfs/dbraw/zinc/65/47/25/791654725.db2.gz NQNQISAFIRTOIR-AWEZNQCLSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001098572454 791688582 /nfs/dbraw/zinc/68/85/82/791688582.db2.gz IVQIAIANVUHGNJ-UHFFFAOYSA-N 2 0 295.427 0.245 20 30 CCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001278106437 806676730 /nfs/dbraw/zinc/67/67/30/806676730.db2.gz ZEFOPEIBTFVLHV-HUUCEWRRSA-N 2 0 295.427 0.197 20 30 CCEDRP C#CC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001278119705 806696663 /nfs/dbraw/zinc/69/66/63/806696663.db2.gz NBRXPFRZWWXTRC-AWEZNQCLSA-N 2 0 295.427 0.198 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001122135370 799151653 /nfs/dbraw/zinc/15/16/53/799151653.db2.gz AZOQUMHXKRYQEN-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001122331531 799201347 /nfs/dbraw/zinc/20/13/47/799201347.db2.gz LHRZASWYWNGFBU-VXGBXAGGSA-N 2 0 255.362 0.117 20 30 CCEDRP [NH3+][C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C12CCC2 ZINC001122341979 799205840 /nfs/dbraw/zinc/20/58/40/799205840.db2.gz TUFFOECDUGHVLK-OLZOCXBDSA-N 2 0 261.369 0.376 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC001122552133 799261830 /nfs/dbraw/zinc/26/18/30/799261830.db2.gz DCKMIYSEHVVEIC-AWEZNQCLSA-N 2 0 277.343 0.767 20 30 CCEDRP C=CCn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC001139770709 799838799 /nfs/dbraw/zinc/83/87/99/799838799.db2.gz XXNIOYWZQQGIBM-UHFFFAOYSA-N 2 0 279.432 0.994 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001161215491 800028361 /nfs/dbraw/zinc/02/83/61/800028361.db2.gz UPCXYVSBZMNGGO-CYBMUJFWSA-N 2 0 274.368 0.565 20 30 CCEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001150318849 800330450 /nfs/dbraw/zinc/33/04/50/800330450.db2.gz VDBIKUARNVVDDZ-LSDHHAIUSA-N 2 0 295.427 0.864 20 30 CCEDRP C=CCCNC(=S)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239362486 806892063 /nfs/dbraw/zinc/89/20/63/806892063.db2.gz KFHWXKUZTPBGCF-GFCCVEGCSA-N 2 0 282.457 0.901 20 30 CCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001157720522 801462763 /nfs/dbraw/zinc/46/27/63/801462763.db2.gz LBGJZZVVPMMPIL-AWEZNQCLSA-N 2 0 299.378 0.133 20 30 CCEDRP C=CCOc1cc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914610 801518865 /nfs/dbraw/zinc/51/88/65/801518865.db2.gz CCJOROACDIABID-UHFFFAOYSA-N 2 0 290.371 0.944 20 30 CCEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506521 801660091 /nfs/dbraw/zinc/66/00/91/801660091.db2.gz KZFQQNZOEVWEQS-CABCVRRESA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505656 801660255 /nfs/dbraw/zinc/66/02/55/801660255.db2.gz FFLOPXXWNAMOJC-KBPBESRZSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155907 801766221 /nfs/dbraw/zinc/76/62/21/801766221.db2.gz WKOUEHLKXNACNU-GFCCVEGCSA-N 2 0 259.369 0.948 20 30 CCEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159931862 801891930 /nfs/dbraw/zinc/89/19/30/801891930.db2.gz KNDQFJCZHXWBPL-ZDUSSCGKSA-N 2 0 253.390 0.999 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951650 802052774 /nfs/dbraw/zinc/05/27/74/802052774.db2.gz MPAZNQVNWDKGTB-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP C=CC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732825 811729006 /nfs/dbraw/zinc/72/90/06/811729006.db2.gz NZWZZBCXXVZELQ-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010172 802881442 /nfs/dbraw/zinc/88/14/42/802881442.db2.gz JNZIFTFCMMPDGJ-CQSZACIVSA-N 2 0 283.416 0.318 20 30 CCEDRP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001028537077 812828240 /nfs/dbraw/zinc/82/82/40/812828240.db2.gz GTYZYEWKZCSWJU-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001204799123 803101432 /nfs/dbraw/zinc/10/14/32/803101432.db2.gz RTGIYFYCHPMLEY-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276607290 803563176 /nfs/dbraw/zinc/56/31/76/803563176.db2.gz IKJNVVCJNQSESB-GFCCVEGCSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596761 803698014 /nfs/dbraw/zinc/69/80/14/803698014.db2.gz KEVKCQFCLSBZNR-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335701 803734894 /nfs/dbraw/zinc/73/48/94/803734894.db2.gz GJVQVYOCYLLEGW-KFWWJZLASA-N 2 0 295.427 0.720 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001276711841 803744232 /nfs/dbraw/zinc/74/42/32/803744232.db2.gz NZNJOSAYAMPVLR-OAHLLOKOSA-N 2 0 295.427 0.461 20 30 CCEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC#CCOC)C1 ZINC001215998919 803830862 /nfs/dbraw/zinc/83/08/62/803830862.db2.gz IDMPYDOLBVDOPS-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1nnccc1C#N ZINC001218701629 804088137 /nfs/dbraw/zinc/08/81/37/804088137.db2.gz XMQJXADTYRDULN-LBPRGKRZSA-N 2 0 290.371 0.782 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218919198 804157367 /nfs/dbraw/zinc/15/73/67/804157367.db2.gz PABWGPJUIANFFH-LSDHHAIUSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218919287 804157732 /nfs/dbraw/zinc/15/77/32/804157732.db2.gz ROPNZJXIXURVNC-LSDHHAIUSA-N 2 0 293.411 0.263 20 30 CCEDRP COc1cccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1C#N ZINC001218977872 804171123 /nfs/dbraw/zinc/17/11/23/804171123.db2.gz IQLJUYBCEYSXOI-NSHDSACASA-N 2 0 286.335 0.314 20 30 CCEDRP N#Cc1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(O)c1 ZINC001218988098 804174245 /nfs/dbraw/zinc/17/42/45/804174245.db2.gz FJZROTHNHCSBMB-JTQLQIEISA-N 2 0 272.308 0.011 20 30 CCEDRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001219553548 804346501 /nfs/dbraw/zinc/34/65/01/804346501.db2.gz AENXXEFOUJSZFV-ZDUSSCGKSA-N 2 0 260.341 0.106 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798905 804426146 /nfs/dbraw/zinc/42/61/46/804426146.db2.gz XRCAKOHUDOZCGB-KGLIPLIRSA-N 2 0 295.427 0.598 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937447 804703134 /nfs/dbraw/zinc/70/31/34/804703134.db2.gz RNDCSZNUOXHZFW-KGLIPLIRSA-N 2 0 283.416 0.945 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001221406784 804807495 /nfs/dbraw/zinc/80/74/95/804807495.db2.gz IKLIORMLIFHRGY-BZPMIXESSA-N 2 0 251.374 0.572 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001277079716 805170905 /nfs/dbraw/zinc/17/09/05/805170905.db2.gz KPUWZGPTSZAZMP-UHFFFAOYSA-N 2 0 251.374 0.895 20 30 CCEDRP C=C(C)C(=O)NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246190917 807182050 /nfs/dbraw/zinc/18/20/50/807182050.db2.gz HXCXSUYRGNFPSK-FUNVUKJBSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246363029 807234808 /nfs/dbraw/zinc/23/48/08/807234808.db2.gz NXVFAWNHCLKHQM-KGLIPLIRSA-N 2 0 264.417 0.320 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001251634706 807690276 /nfs/dbraw/zinc/69/02/76/807690276.db2.gz IFAVMPJAFKDHEG-HZSPNIEDSA-N 2 0 278.400 0.191 20 30 CCEDRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC#CC[NH+](C)C ZINC001251708651 807696312 /nfs/dbraw/zinc/69/63/12/807696312.db2.gz VXPJVRAQCIFNCX-AWEZNQCLSA-N 2 0 280.416 0.535 20 30 CCEDRP C=C[C@](C)(O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001252549675 807906113 /nfs/dbraw/zinc/90/61/13/807906113.db2.gz GSTQDWQGUZYTBC-AWEZNQCLSA-N 2 0 272.389 0.740 20 30 CCEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252615638 807920152 /nfs/dbraw/zinc/92/01/52/807920152.db2.gz BUJMFZXDGFWLMU-AWEZNQCLSA-N 2 0 256.390 0.607 20 30 CCEDRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261460196 808984328 /nfs/dbraw/zinc/98/43/28/808984328.db2.gz VLFQVXPDFHQHEA-CHWSQXEVSA-N 2 0 266.389 0.856 20 30 CCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC001263105446 809446040 /nfs/dbraw/zinc/44/60/40/809446040.db2.gz ONWFCVCSRSLIKG-AVGNSLFASA-N 2 0 264.373 0.336 20 30 CCEDRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001263253969 809496738 /nfs/dbraw/zinc/49/67/38/809496738.db2.gz YDJRABWABXHUMG-CHWSQXEVSA-N 2 0 282.388 0.235 20 30 CCEDRP CC#CCN1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001263812177 809575497 /nfs/dbraw/zinc/57/54/97/809575497.db2.gz IOKYGWXMELIXLK-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001264617174 809665304 /nfs/dbraw/zinc/66/53/04/809665304.db2.gz CWJNTNYTDACWTC-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265356100 809764304 /nfs/dbraw/zinc/76/43/04/809764304.db2.gz IJZFSLWVWBNANA-JKSUJKDBSA-N 2 0 289.423 0.836 20 30 CCEDRP CC#CC[NH2+][C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001265378265 809768248 /nfs/dbraw/zinc/76/82/48/809768248.db2.gz IWWNKCUSXSZTHF-UONOGXRCSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001265812884 809860299 /nfs/dbraw/zinc/86/02/99/809860299.db2.gz GHFQQKKRTULSJA-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001279307818 809974886 /nfs/dbraw/zinc/97/48/86/809974886.db2.gz PPDSQJWIHGEPDW-WLYUNCDWSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267307203 811127469 /nfs/dbraw/zinc/12/74/69/811127469.db2.gz NSIXJKHNBIMZNC-KGLIPLIRSA-N 2 0 265.401 0.788 20 30 CCEDRP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267392013 811276795 /nfs/dbraw/zinc/27/67/95/811276795.db2.gz YWCVTAIJLXIPTL-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267681379 811646992 /nfs/dbraw/zinc/64/69/92/811646992.db2.gz CVIFZOKBHTYEQM-AWEZNQCLSA-N 2 0 283.391 0.738 20 30 CCEDRP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267946416 811881210 /nfs/dbraw/zinc/88/12/10/811881210.db2.gz QQWUDAJHKJKTCO-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001267989916 811930022 /nfs/dbraw/zinc/93/00/22/811930022.db2.gz OWPMFWOBAFPEHU-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267991095 811931201 /nfs/dbraw/zinc/93/12/01/811931201.db2.gz NJUAZMLFHFTJHU-GJZGRUSLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523165 811934613 /nfs/dbraw/zinc/93/46/13/811934613.db2.gz GCFYYEJVEWSNNX-HOCLYGCPSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCCO)CC1 ZINC001268099823 812257728 /nfs/dbraw/zinc/25/77/28/812257728.db2.gz PSFYIPFSVTZAAM-CQSZACIVSA-N 2 0 295.427 0.151 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268101315 812260480 /nfs/dbraw/zinc/26/04/80/812260480.db2.gz WMIQYRJBFHWMOH-QWHCGFSZSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001268321708 812485327 /nfs/dbraw/zinc/48/53/27/812485327.db2.gz UZJUVYABJOVCQD-ZIAGYGMSSA-N 2 0 283.416 0.361 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001028320336 812612922 /nfs/dbraw/zinc/61/29/22/812612922.db2.gz QEUZSEIRUSANCY-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001075644774 812781049 /nfs/dbraw/zinc/78/10/49/812781049.db2.gz AIGBTYFFWUTDGU-MJBXVCDLSA-N 2 0 279.384 0.036 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001268978951 813168034 /nfs/dbraw/zinc/16/80/34/813168034.db2.gz QPNJOXCHHNIFGA-KBPBESRZSA-N 2 0 263.385 0.637 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001269510644 813397581 /nfs/dbraw/zinc/39/75/81/813397581.db2.gz RXJQSWHUTBNQSD-QWHCGFSZSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001029001673 813744639 /nfs/dbraw/zinc/74/46/39/813744639.db2.gz CBDBNTQSWOYYBN-HNNXBMFYSA-N 2 0 289.423 0.956 20 30 CCEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001270659285 813877090 /nfs/dbraw/zinc/87/70/90/813877090.db2.gz SDZAKDQNNLHEMV-CQSZACIVSA-N 2 0 251.374 0.849 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809100 814106219 /nfs/dbraw/zinc/10/62/19/814106219.db2.gz SPXZGLLIOJWCHY-QKPAOTATSA-N 2 0 289.423 0.883 20 30 CCEDRP C#CCN1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001271108865 814155522 /nfs/dbraw/zinc/15/55/22/814155522.db2.gz FQTKTJQRUKXHFY-ZDUSSCGKSA-N 2 0 299.365 0.789 20 30 CCEDRP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001087796533 814215960 /nfs/dbraw/zinc/21/59/60/814215960.db2.gz DOWXIVCTFDTURZ-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271160679 814253131 /nfs/dbraw/zinc/25/31/31/814253131.db2.gz XKUPSWJJDVBECD-DZGCQCFKSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087994582 814305297 /nfs/dbraw/zinc/30/52/97/814305297.db2.gz RFAWLSWNZXGMSH-CABCVRRESA-N 2 0 289.423 0.884 20 30 CCEDRP C=CC[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001271930667 814632582 /nfs/dbraw/zinc/63/25/82/814632582.db2.gz WEKUXHXPSLLVQN-HUUCEWRRSA-N 2 0 297.443 0.871 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860068 816088854 /nfs/dbraw/zinc/08/88/54/816088854.db2.gz UVDSYCWTQFKSJQ-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622468 816826774 /nfs/dbraw/zinc/82/67/74/816826774.db2.gz AASCAYITGQCVNV-CHWSQXEVSA-N 2 0 253.390 0.808 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882344 816973743 /nfs/dbraw/zinc/97/37/43/816973743.db2.gz SDZLVAUFACSQKI-ZIAGYGMSSA-N 2 0 277.412 0.952 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981657 817568598 /nfs/dbraw/zinc/56/85/98/817568598.db2.gz YPDLHOOLUGLVGT-QLFBSQMISA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106983269 817570143 /nfs/dbraw/zinc/57/01/43/817570143.db2.gz XXUAVSSNSQOCRD-MGPQQGTHSA-N 2 0 263.385 0.255 20 30 CCEDRP C#CCNC(=O)[C@H]1CC12CC[NH+](CC1CC[NH2+]CC1)CC2 ZINC001273030185 818484052 /nfs/dbraw/zinc/48/40/52/818484052.db2.gz MEWOYDRMEWJEHY-OAHLLOKOSA-N 2 0 289.423 0.838 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533204 818611480 /nfs/dbraw/zinc/61/14/80/818611480.db2.gz JDSWLTDUHIOLFY-ZDUSSCGKSA-N 2 0 289.395 0.575 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033395877 818753380 /nfs/dbraw/zinc/75/33/80/818753380.db2.gz LKMUNWMMNXAISV-HNNXBMFYSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033419057 818764336 /nfs/dbraw/zinc/76/43/36/818764336.db2.gz GNWRMPYIWVVNMY-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583637 818845007 /nfs/dbraw/zinc/84/50/07/818845007.db2.gz WZWUJHAUJHHSFB-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001033686207 818886695 /nfs/dbraw/zinc/88/66/95/818886695.db2.gz BJXQRXSDLZUAJR-MRXNPFEDSA-N 2 0 287.407 0.498 20 30 CCEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875350 818971483 /nfs/dbraw/zinc/97/14/83/818971483.db2.gz RGWTYNYEYXTMIL-QLFBSQMISA-N 2 0 295.427 0.814 20 30 CCEDRP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034040930 819042333 /nfs/dbraw/zinc/04/23/33/819042333.db2.gz ZVXZBOFZRXJNKI-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794476 819332068 /nfs/dbraw/zinc/33/20/68/819332068.db2.gz KALJENLYRRZNRM-HDJSIYSDSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(C)C)CCO1 ZINC001035403093 819508029 /nfs/dbraw/zinc/50/80/29/819508029.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 0 293.411 0.309 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035613912 819588729 /nfs/dbraw/zinc/58/87/29/819588729.db2.gz MKGZOPLICOZHAI-HUUCEWRRSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080782784 820631142 /nfs/dbraw/zinc/63/11/42/820631142.db2.gz BCLWAIILWHEVFH-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326478 820938166 /nfs/dbraw/zinc/93/81/66/820938166.db2.gz FKGIBAFCOMFZKR-RRFJBIMHSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326477 820939033 /nfs/dbraw/zinc/93/90/33/820939033.db2.gz FKGIBAFCOMFZKR-RBSFLKMASA-N 2 0 293.411 0.167 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082859848 821048257 /nfs/dbraw/zinc/04/82/57/821048257.db2.gz JFHWEJSSDYXTEZ-HZSPNIEDSA-N 2 0 265.401 0.951 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001082941822 821067425 /nfs/dbraw/zinc/06/74/25/821067425.db2.gz NXUSGWOBSKQIIT-KFWWJZLASA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001086045496 822089361 /nfs/dbraw/zinc/08/93/61/822089361.db2.gz LCFOTCVWYIDDLZ-FRRDWIJNSA-N 2 0 251.374 0.751 20 30 CCEDRP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086088004 822108800 /nfs/dbraw/zinc/10/88/00/822108800.db2.gz ZTGVXUOHOPLJTN-CFVMTHIKSA-N 2 0 277.412 0.999 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001086122555 822119890 /nfs/dbraw/zinc/11/98/90/822119890.db2.gz PMYIJTILSVUAFJ-MJBXVCDLSA-N 2 0 263.385 0.588 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436318 837511883 /nfs/dbraw/zinc/51/18/83/837511883.db2.gz OROMQQQBUSCIIS-LLVKDONJSA-N 2 0 259.781 0.785 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130188812 837717697 /nfs/dbraw/zinc/71/76/97/837717697.db2.gz KILMJQUXIPJOSB-UONOGXRCSA-N 2 0 263.385 0.732 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558663 837855384 /nfs/dbraw/zinc/85/53/84/837855384.db2.gz JGFLUSBOQRCRFY-UHFFFAOYSA-N 2 0 274.368 0.637 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710732 837898601 /nfs/dbraw/zinc/89/86/01/837898601.db2.gz CBYVYYRSDAZCHQ-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681428 838172912 /nfs/dbraw/zinc/17/29/12/838172912.db2.gz BKVKALLXUJMBFA-ZBFHGGJFSA-N 2 0 295.427 0.816 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426043 838393209 /nfs/dbraw/zinc/39/32/09/838393209.db2.gz RDMYUQPIADBPMN-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983875 838530205 /nfs/dbraw/zinc/53/02/05/838530205.db2.gz NZQOQBXKXIYLJS-UHFFFAOYSA-N 2 0 263.341 0.684 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133862606 838753451 /nfs/dbraw/zinc/75/34/51/838753451.db2.gz DPFKCMTWYSLTGK-QWHCGFSZSA-N 2 0 253.390 0.856 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230165 844366712 /nfs/dbraw/zinc/36/67/12/844366712.db2.gz OEMWGYBWYUGJEH-CQSZACIVSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390647 839242445 /nfs/dbraw/zinc/24/24/45/839242445.db2.gz LWWCRPJIPFMPRW-QWHCGFSZSA-N 2 0 265.401 0.834 20 30 CCEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135923207 839472527 /nfs/dbraw/zinc/47/25/27/839472527.db2.gz IXBNQYIWLSDQLB-QWHCGFSZSA-N 2 0 271.405 0.624 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650898 844442286 /nfs/dbraw/zinc/44/22/86/844442286.db2.gz QGAHLMULEKVJQG-UONOGXRCSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001091327608 840181272 /nfs/dbraw/zinc/18/12/72/840181272.db2.gz UMSQXUVFSHFABM-UHFFFAOYSA-N 2 0 286.379 0.879 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091543360 840261341 /nfs/dbraw/zinc/26/13/41/840261341.db2.gz IRPLFQCAHWNYQP-INMHGKMJSA-N 2 0 289.423 0.884 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341137 840289709 /nfs/dbraw/zinc/28/97/09/840289709.db2.gz WJCMXWCLNAPZKK-LSDHHAIUSA-N 2 0 295.427 0.605 20 30 CCEDRP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146408526 840294185 /nfs/dbraw/zinc/29/41/85/840294185.db2.gz KNIZTBFKEPGPTN-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147826459 840693422 /nfs/dbraw/zinc/69/34/22/840693422.db2.gz VVPKEIKJGKAHAF-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)COC)CC1 ZINC001176926510 842453342 /nfs/dbraw/zinc/45/33/42/842453342.db2.gz OCJOKSCRBWBHDN-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176997538 842482578 /nfs/dbraw/zinc/48/25/78/842482578.db2.gz QOMIAQXZCZZPMV-CQSZACIVSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538644 843017966 /nfs/dbraw/zinc/01/79/66/843017966.db2.gz FDGSNOUKLXLXQS-KKUMJFAQSA-N 2 0 277.412 0.931 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001187321885 844691631 /nfs/dbraw/zinc/69/16/31/844691631.db2.gz GOSZSQGSBYPZFH-CQSZACIVSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCCC[N@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273541509 844731858 /nfs/dbraw/zinc/73/18/58/844731858.db2.gz CQLJJJCQBDQUIC-INIZCTEOSA-N 2 0 277.412 0.886 20 30 CCEDRP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189668903 845183817 /nfs/dbraw/zinc/18/38/17/845183817.db2.gz QONMVQUMPACNET-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192170392 845796355 /nfs/dbraw/zinc/79/63/55/845796355.db2.gz KVHNGIIYQZAEQD-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708156 846606007 /nfs/dbraw/zinc/60/60/07/846606007.db2.gz GGKBRHRTPJIXBV-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001197707949 846951296 /nfs/dbraw/zinc/95/12/96/846951296.db2.gz SMDBDBASYPJMIE-UHFFFAOYSA-N 2 0 265.401 0.886 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199095848 847222593 /nfs/dbraw/zinc/22/25/93/847222593.db2.gz LUVCDCMLFDKWQQ-ZIAGYGMSSA-N 2 0 283.416 0.454 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788274 847432901 /nfs/dbraw/zinc/43/29/01/847432901.db2.gz NVVFRSHXYXZEQN-AWEZNQCLSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200635731 847668347 /nfs/dbraw/zinc/66/83/47/847668347.db2.gz CCZGGWSCPFQHPP-UKRRQHHQSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001273882495 847727236 /nfs/dbraw/zinc/72/72/36/847727236.db2.gz ZPAZQUCLHDFHPM-GDBMZVCRSA-N 2 0 295.427 0.552 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202056637 847851890 /nfs/dbraw/zinc/85/18/90/847851890.db2.gz AKIPUSSMNDRINB-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114414254 848053506 /nfs/dbraw/zinc/05/35/06/848053506.db2.gz PGIQWQNSUNZCTB-FOLVSLTJSA-N 2 0 275.396 0.540 20 30 CCEDRP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2CCCC#N)C1=O ZINC001274039556 848316164 /nfs/dbraw/zinc/31/61/64/848316164.db2.gz GJCOXOZFOFTCCF-HNNXBMFYSA-N 2 0 278.400 0.919 20 30 CCEDRP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274289895 848441140 /nfs/dbraw/zinc/44/11/40/848441140.db2.gz YKLCWGRERCOHKW-XVWMLYKFSA-N 2 0 293.411 0.383 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274500842 848490493 /nfs/dbraw/zinc/49/04/93/848490493.db2.gz BTYQESCLVWCJEQ-CYBMUJFWSA-N 2 0 281.400 0.210 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274762631 848562985 /nfs/dbraw/zinc/56/29/85/848562985.db2.gz AWRIJEIMRLBKIH-UONOGXRCSA-N 2 0 281.400 0.215 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001274991989 848610735 /nfs/dbraw/zinc/61/07/35/848610735.db2.gz YTUCIPBAGNAVJV-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001275010076 848612127 /nfs/dbraw/zinc/61/21/27/848612127.db2.gz TWJOTCQEZRCGNF-UONOGXRCSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001275157826 848653376 /nfs/dbraw/zinc/65/33/76/848653376.db2.gz WJDSKGYFMBSFFJ-RWMBFGLXSA-N 2 0 251.374 0.444 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001275459341 848726766 /nfs/dbraw/zinc/72/67/66/848726766.db2.gz OPLOCKGUBLFFOT-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001276012006 848890419 /nfs/dbraw/zinc/89/04/19/848890419.db2.gz NPEAWPOGJKOKNM-AWEZNQCLSA-N 2 0 283.416 0.413 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001276296563 848988941 /nfs/dbraw/zinc/98/89/41/848988941.db2.gz DIBDUCZFLNDKDZ-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047384614 851744037 /nfs/dbraw/zinc/74/40/37/851744037.db2.gz CSQPRWJVAQCVSX-KBXIAJHMSA-N 2 0 295.427 0.406 20 30 CCEDRP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001096344324 851943848 /nfs/dbraw/zinc/94/38/48/851943848.db2.gz KBAUPXZBCQKICM-XGUBFFRZSA-N 2 0 275.396 0.683 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231869 852201226 /nfs/dbraw/zinc/20/12/26/852201226.db2.gz NJGLZGYJVXWLOZ-FPCVCCKLSA-N 2 0 289.423 0.883 20 30 CCEDRP CC[C@H](CC#N)[NH2+]C[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001255157906 853130929 /nfs/dbraw/zinc/13/09/29/853130929.db2.gz YSEHCOBLTURMPR-LPWJVIDDSA-N 2 0 255.362 0.993 20 30 CCEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001073431082 854557485 /nfs/dbraw/zinc/55/74/85/854557485.db2.gz REGPUHOTCJCGRK-UHFFFAOYSA-N 2 0 275.396 0.640 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001073555287 854591918 /nfs/dbraw/zinc/59/19/18/854591918.db2.gz ZFQYZNZHBFUIGO-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001073555289 854593617 /nfs/dbraw/zinc/59/36/17/854593617.db2.gz ZFQYZNZHBFUIGO-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099898581 855024942 /nfs/dbraw/zinc/02/49/42/855024942.db2.gz DQYBJHDEEWQCRA-KBPBESRZSA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041393 855079908 /nfs/dbraw/zinc/07/99/08/855079908.db2.gz IUZWFGXHKFICSD-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115300587 855659432 /nfs/dbraw/zinc/65/94/32/855659432.db2.gz VLQPRKGCPOVGAT-NHAGDIPZSA-N 2 0 263.385 0.396 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCCCCC1 ZINC001120470051 857081798 /nfs/dbraw/zinc/08/17/98/857081798.db2.gz XNTMQDICCXUSPF-UHFFFAOYSA-N 2 0 265.401 0.982 20 30 CCEDRP COCC#CCN1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001323333458 912277172 /nfs/dbraw/zinc/27/71/72/912277172.db2.gz CRGNARHAVBLCTR-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001324994156 913138233 /nfs/dbraw/zinc/13/82/33/913138233.db2.gz YUUSDTVENGIITO-AWEZNQCLSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325458269 913414894 /nfs/dbraw/zinc/41/48/94/913414894.db2.gz VWMZDUHACXMUKH-LSDHHAIUSA-N 2 0 289.423 0.932 20 30 CCEDRP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001481070462 892128988 /nfs/dbraw/zinc/12/89/88/892128988.db2.gz IKUWGKKWANOZSD-HNNXBMFYSA-N 2 0 295.427 0.557 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481096983 892162266 /nfs/dbraw/zinc/16/22/66/892162266.db2.gz WPYWSFFWZYPIAQ-KBPBESRZSA-N 2 0 283.391 0.738 20 30 CCEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001283797101 892420002 /nfs/dbraw/zinc/42/00/02/892420002.db2.gz LZHNYWIIUFKNDJ-HUUCEWRRSA-N 2 0 297.443 0.751 20 30 CCEDRP C#CCC[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001481318114 892571904 /nfs/dbraw/zinc/57/19/04/892571904.db2.gz SBUPNUVWWROKGA-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001481810333 893176530 /nfs/dbraw/zinc/17/65/30/893176530.db2.gz FXCQXYKRESNASL-KGLIPLIRSA-N 2 0 265.401 0.977 20 30 CCEDRP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481812017 893186470 /nfs/dbraw/zinc/18/64/70/893186470.db2.gz FNCJBEXLAIEMMY-HUUCEWRRSA-N 2 0 277.412 0.836 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482237012 893630926 /nfs/dbraw/zinc/63/09/26/893630926.db2.gz QGBVIOMNILRJJA-CYBMUJFWSA-N 2 0 263.385 0.590 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482428822 893974300 /nfs/dbraw/zinc/97/43/00/893974300.db2.gz MBZIDRPTYCBUHS-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228833 895146964 /nfs/dbraw/zinc/14/69/64/895146964.db2.gz PKBZOQHCNQWMDG-JSGCOSHPSA-N 2 0 263.385 0.446 20 30 CCEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484445685 896415604 /nfs/dbraw/zinc/41/56/04/896415604.db2.gz ITOXPWHQMJLIJC-MRXNPFEDSA-N 2 0 295.427 0.295 20 30 CCEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001484495428 896444172 /nfs/dbraw/zinc/44/41/72/896444172.db2.gz MIGQBDNCYTYGBH-OAHLLOKOSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001485195898 896855133 /nfs/dbraw/zinc/85/51/33/896855133.db2.gz BAXYCAOFRDBBKA-QWHCGFSZSA-N 2 0 291.399 0.174 20 30 CCEDRP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001032443318 897575356 /nfs/dbraw/zinc/57/53/56/897575356.db2.gz SDMCLWGZLJBMKN-STQMWFEESA-N 2 0 263.385 0.942 20 30 CCEDRP C=CCN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212403623 897863862 /nfs/dbraw/zinc/86/38/62/897863862.db2.gz OSFOZRFPJMZYOW-CHWSQXEVSA-N 2 0 281.400 0.472 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CC)CCO1 ZINC001108003972 898097313 /nfs/dbraw/zinc/09/73/13/898097313.db2.gz NEELUKUAGZNNOG-HOCLYGCPSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001486149427 898688072 /nfs/dbraw/zinc/68/80/72/898688072.db2.gz WJDNHUXSWCDFRU-ZFWWWQNUSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001486337960 898805362 /nfs/dbraw/zinc/80/53/62/898805362.db2.gz PUCSIIGCSMFSPK-QLFBSQMISA-N 2 0 295.427 0.101 20 30 CCEDRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC001326047304 900053649 /nfs/dbraw/zinc/05/36/49/900053649.db2.gz QMXHEKUYITUXPK-WDEREUQCSA-N 2 0 252.362 0.512 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001490458662 900643996 /nfs/dbraw/zinc/64/39/96/900643996.db2.gz PXDOXBIBMPPRLW-AWEZNQCLSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001490692167 900705860 /nfs/dbraw/zinc/70/58/60/900705860.db2.gz AUYKTNHFBGIRBQ-LSDHHAIUSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001327575870 914630013 /nfs/dbraw/zinc/63/00/13/914630013.db2.gz DCQMDODRHQQKBW-GOEBONIOSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001491073187 903338347 /nfs/dbraw/zinc/33/83/47/903338347.db2.gz FMNMYDCPYROEBG-BETUJISGSA-N 2 0 251.374 0.588 20 30 CCEDRP CC#CC[N@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001280882950 904164519 /nfs/dbraw/zinc/16/45/19/904164519.db2.gz ADYKJHTVVHFZRK-UHFFFAOYSA-N 2 0 276.384 0.995 20 30 CCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001281185864 904240140 /nfs/dbraw/zinc/24/01/40/904240140.db2.gz YHOLJJDKQLMDLJ-MRXNPFEDSA-N 2 0 295.427 0.295 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001282002811 904385824 /nfs/dbraw/zinc/38/58/24/904385824.db2.gz QBFRUNKHWWYYIZ-NRXISQOPSA-N 2 0 277.412 0.977 20 30 CCEDRP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282493174 904492051 /nfs/dbraw/zinc/49/20/51/904492051.db2.gz BCRNAIMGMZCZAK-QWHCGFSZSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283501356 904880448 /nfs/dbraw/zinc/88/04/48/904880448.db2.gz DENXUHTWJZERRV-HZPDHXFCSA-N 2 0 289.423 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[NH+](C)C ZINC001283531915 904896127 /nfs/dbraw/zinc/89/61/27/904896127.db2.gz IXYYZUXJTFTSGL-CQSZACIVSA-N 2 0 265.401 0.788 20 30 CCEDRP C=CCOCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001283715649 904972912 /nfs/dbraw/zinc/97/29/12/904972912.db2.gz VCGUZIWSSHZKET-KGLIPLIRSA-N 2 0 283.416 0.577 20 30 CCEDRP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001283755902 904998451 /nfs/dbraw/zinc/99/84/51/904998451.db2.gz KOYCMUFGQYLFAS-GJZGRUSLSA-N 2 0 297.443 0.892 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001283822961 905037581 /nfs/dbraw/zinc/03/75/81/905037581.db2.gz DVXUHCBPXWWIGX-STQMWFEESA-N 2 0 271.405 0.215 20 30 CCEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001284417167 905283053 /nfs/dbraw/zinc/28/30/53/905283053.db2.gz MKPUCCIFRJAXIC-CABCVRRESA-N 2 0 295.427 0.291 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001491623832 907459795 /nfs/dbraw/zinc/45/97/95/907459795.db2.gz AUWKEWZMYLTOOR-CYBMUJFWSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001491812848 907615113 /nfs/dbraw/zinc/61/51/13/907615113.db2.gz UNZNSJWWWGJCGW-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001341642993 908642684 /nfs/dbraw/zinc/64/26/84/908642684.db2.gz LGJMZUZLLHXZFP-JHJVBQTASA-N 2 0 264.373 0.335 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317088282 908973842 /nfs/dbraw/zinc/97/38/42/908973842.db2.gz PWRQFCMLXCTVNT-MGPQQGTHSA-N 2 0 265.401 0.833 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCOC)C2)CC1 ZINC001317127987 908999955 /nfs/dbraw/zinc/99/99/55/908999955.db2.gz LNUMERVEIHSOPS-GASCZTMLSA-N 2 0 293.411 0.215 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317534323 909302324 /nfs/dbraw/zinc/30/23/24/909302324.db2.gz JTXAHUWKLBBIDX-LSDHHAIUSA-N 2 0 293.411 0.026 20 30 CCEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317534321 909307087 /nfs/dbraw/zinc/30/70/87/909307087.db2.gz JTXAHUWKLBBIDX-GJZGRUSLSA-N 2 0 293.411 0.026 20 30 CCEDRP CC[C@](O)(C[NH2+]CC#CC[NH+](C)C)C(F)(F)F ZINC001338490079 921482865 /nfs/dbraw/zinc/48/28/65/921482865.db2.gz YRZURISYNWISMH-JTQLQIEISA-N 2 0 252.280 0.844 20 30 CCEDRP C=CCC[NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001317645946 909442313 /nfs/dbraw/zinc/44/23/13/909442313.db2.gz PPDCNJZWOGVHID-UHFFFAOYSA-N 2 0 283.416 0.721 20 30 CCEDRP C=C(C)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318170019 909650041 /nfs/dbraw/zinc/65/00/41/909650041.db2.gz WWAUIBPUXPBUBA-CYBMUJFWSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1 ZINC001318713566 909869100 /nfs/dbraw/zinc/86/91/00/909869100.db2.gz MYCQAKWHUJMGFB-HNNXBMFYSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001318830460 909896104 /nfs/dbraw/zinc/89/61/04/909896104.db2.gz GDSRZGRVKNDYEY-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319224484 910044245 /nfs/dbraw/zinc/04/42/45/910044245.db2.gz HXKSLXKBOPPGHL-CHWSQXEVSA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320262918 910564581 /nfs/dbraw/zinc/56/45/81/910564581.db2.gz KCNDTOHEENQLGY-IHRRRGAJSA-N 2 0 283.416 0.360 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2 ZINC001321142124 911115402 /nfs/dbraw/zinc/11/54/02/911115402.db2.gz RNWGVQPSYLEGDE-PLNGDYQASA-N 2 0 275.396 0.900 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001339143138 921663336 /nfs/dbraw/zinc/66/33/36/921663336.db2.gz ZTRSAVBYNLTCDM-HNNXBMFYSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328208062 915031813 /nfs/dbraw/zinc/03/18/13/915031813.db2.gz TWDLDILKPREGDK-UHFFFAOYSA-N 2 0 297.443 0.847 20 30 CCEDRP C#CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001329459289 915933762 /nfs/dbraw/zinc/93/37/62/915933762.db2.gz ICTJFTKERFFNCU-CYBMUJFWSA-N 2 0 265.401 0.931 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001329533725 915994715 /nfs/dbraw/zinc/99/47/15/915994715.db2.gz ZGLIKLGGLACQDE-ZDUSSCGKSA-N 2 0 269.389 0.024 20 30 CCEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001329543207 915996611 /nfs/dbraw/zinc/99/66/11/915996611.db2.gz WKWCHOGZFBHKCC-HUUCEWRRSA-N 2 0 297.443 0.659 20 30 CCEDRP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001329888104 916257258 /nfs/dbraw/zinc/25/72/58/916257258.db2.gz RWRVCDQYLXBDTC-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001335366421 920151294 /nfs/dbraw/zinc/15/12/94/920151294.db2.gz GXJOWCPDVHSFJG-ZDUSSCGKSA-N 2 0 251.374 0.973 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC001336893862 921088215 /nfs/dbraw/zinc/08/82/15/921088215.db2.gz KXMAMCVHYNLGDK-UHFFFAOYSA-N 2 0 292.427 0.773 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCC(OC)CC1 ZINC001340235651 922020266 /nfs/dbraw/zinc/02/02/66/922020266.db2.gz WGNWGFJJERHDPD-AWEZNQCLSA-N 2 0 283.416 0.897 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001340852745 922243361 /nfs/dbraw/zinc/24/33/61/922243361.db2.gz ISVIIALEXGQWMM-STQMWFEESA-N 2 0 269.389 0.507 20 30 CCEDRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001341590752 922570655 /nfs/dbraw/zinc/57/06/55/922570655.db2.gz HVBFPZTZGAUSDT-DZGCQCFKSA-N 2 0 261.369 0.329 20 30 CCEDRP [NH3+][C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC001342549647 922999197 /nfs/dbraw/zinc/99/91/97/922999197.db2.gz VDFDXULBMWIDPF-GHMZBOCLSA-N 2 0 289.301 0.337 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343034672 923167540 /nfs/dbraw/zinc/16/75/40/923167540.db2.gz SHVCVFGLNOPCDK-JQWIXIFHSA-N 2 0 257.765 0.811 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420177428 923371704 /nfs/dbraw/zinc/37/17/04/923371704.db2.gz XDOYHQLSTLAFMA-PWSUYJOCSA-N 2 0 289.807 0.147 20 30 CCEDRP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C[N@H+](C)CCN1C ZINC001346229654 924121986 /nfs/dbraw/zinc/12/19/86/924121986.db2.gz VPJQHWIGFDVNNK-MJBXVCDLSA-N 2 0 295.431 0.148 20 30 CCEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001422343336 927232173 /nfs/dbraw/zinc/23/21/73/927232173.db2.gz KKPIWXGIHNPPAO-NSHDSACASA-N 2 0 289.807 0.147 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001444268121 929822307 /nfs/dbraw/zinc/82/23/07/929822307.db2.gz PZDZYIFQGIOFMQ-CYBMUJFWSA-N 2 0 253.390 0.904 20 30 CCEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524289 348592580 /nfs/dbraw/zinc/59/25/80/348592580.db2.gz QZDIKPDVPPZLNJ-UHFFFAOYSA-N 2 0 296.415 0.662 20 30 CCEDRP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000611266462 363699640 /nfs/dbraw/zinc/69/96/40/363699640.db2.gz YJKNOMPHPAODRW-GJZGRUSLSA-N 2 0 267.417 0.635 20 30 CCEDRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438742 360306796 /nfs/dbraw/zinc/30/67/96/360306796.db2.gz LDRZYSGNFBHAOF-WOPDTQHZSA-N 2 0 252.362 0.512 20 30 CCEDRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439606 360308616 /nfs/dbraw/zinc/30/86/16/360308616.db2.gz SOMUWASYTYZAIZ-MRVWCRGKSA-N 2 0 278.400 0.997 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000594441211 360310618 /nfs/dbraw/zinc/31/06/18/360310618.db2.gz OVLRWRMDFNKWGG-LBPRGKRZSA-N 2 0 252.362 0.610 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000594444347 360312075 /nfs/dbraw/zinc/31/20/75/360312075.db2.gz PNIDASNSHSOARQ-MJBXVCDLSA-N 2 0 278.400 0.856 20 30 CCEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719156 361495974 /nfs/dbraw/zinc/49/59/74/361495974.db2.gz HXIKQKVPDKLUGH-KGLIPLIRSA-N 2 0 282.432 0.513 20 30 CCEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])C(C)C ZINC000638067334 374611291 /nfs/dbraw/zinc/61/12/91/374611291.db2.gz CCYHNRNDTKNCKK-RRFJBIMHSA-N 2 0 295.427 0.917 20 30 CCEDRP C=CCC[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000657582713 413027562 /nfs/dbraw/zinc/02/75/62/413027562.db2.gz BIGZQOBCGXWWFH-UHFFFAOYSA-N 2 0 261.373 0.894 20 30 CCEDRP CC[C@@H](C)NC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303392396 389081248 /nfs/dbraw/zinc/08/12/48/389081248.db2.gz ZFSQAZIIPOIIGI-GFCCVEGCSA-N 2 0 255.410 0.327 20 30 CCEDRP C=CCNC(=O)CN1CC[C@H](Oc2ccncc2)C1 ZINC000156326393 389325381 /nfs/dbraw/zinc/32/53/81/389325381.db2.gz OKJJHSBDPPOYEV-ZDUSSCGKSA-N 2 0 261.325 0.837 20 30 CCEDRP C[NH+]=C(NCc1c[nH]nc1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261980039 389279881 /nfs/dbraw/zinc/27/98/81/389279881.db2.gz OQUWSLYFWOEKGF-YGRLFVJLSA-N 2 0 290.415 0.866 20 30 CCEDRP C[NH+]=C(NCCC[N@@H+](C)CCOC)NCc1ccco1 ZINC000264049337 389304170 /nfs/dbraw/zinc/30/41/70/389304170.db2.gz LRXVDSOJBBNGSA-UHFFFAOYSA-N 2 0 282.388 0.913 20 30 CCEDRP CCCNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264079631 389304821 /nfs/dbraw/zinc/30/48/21/389304821.db2.gz GUPGQHALWJNDBI-HNNXBMFYSA-N 2 0 290.411 0.720 20 30 CCEDRP [NH2+]=C(NCCCNc1ccccn1)N1CCOCC1 ZINC000170905233 389467480 /nfs/dbraw/zinc/46/74/80/389467480.db2.gz WEQUOECGHIRNNQ-UHFFFAOYSA-N 2 0 263.345 0.531 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000334891212 389507958 /nfs/dbraw/zinc/50/79/58/389507958.db2.gz IKABQMMKRDUVPD-KGLIPLIRSA-N 2 0 292.427 0.888 20 30 CCEDRP C=CCN1CC[C@H](N2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334992685 389518394 /nfs/dbraw/zinc/51/83/94/389518394.db2.gz JHCIJYQTJGAXQY-DZGCQCFKSA-N 2 0 263.385 0.849 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000352910967 389841379 /nfs/dbraw/zinc/84/13/79/389841379.db2.gz LPYJWYJUOILBOD-LBPRGKRZSA-N 2 0 268.405 0.886 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC(C)=C[C@@H](C)C2)CC1 ZINC000491524685 390114432 /nfs/dbraw/zinc/11/44/32/390114432.db2.gz NJVYOWNCVXTMAE-CQSZACIVSA-N 2 0 275.396 0.662 20 30 CCEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644638527 390272425 /nfs/dbraw/zinc/27/24/25/390272425.db2.gz KODMOYMWYNDQGI-XHSDSOJGSA-N 2 0 297.443 0.166 20 30 CCEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)CC#N)CC1 ZINC000583867348 390317808 /nfs/dbraw/zinc/31/78/08/390317808.db2.gz CMFUNBPCGCUPNG-CYBMUJFWSA-N 2 0 268.405 0.124 20 30 CCEDRP C=CC[C@H](CC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563003315 390491880 /nfs/dbraw/zinc/49/18/80/390491880.db2.gz QPGJFZHHPAZCKL-KBPBESRZSA-N 2 0 255.406 0.539 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000520814277 390589265 /nfs/dbraw/zinc/58/92/65/390589265.db2.gz MXZQLQDRQWHIBZ-KGLIPLIRSA-N 2 0 293.411 0.461 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239435 390876000 /nfs/dbraw/zinc/87/60/00/390876000.db2.gz SZJPXACWQCVUNF-CQSZACIVSA-N 2 0 281.400 0.379 20 30 CCEDRP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345417 412033675 /nfs/dbraw/zinc/03/36/75/412033675.db2.gz BHYAFSVFLPRRHF-MELADBBJSA-N 2 0 281.400 0.507 20 30 CCEDRP C=CC[C@]1(C(=O)NCCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662389366 414713494 /nfs/dbraw/zinc/71/34/94/414713494.db2.gz BHBUSMSJYIQIFQ-OAHLLOKOSA-N 2 0 280.416 0.096 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662782204 414788515 /nfs/dbraw/zinc/78/85/15/414788515.db2.gz CFJUPHNYEOQHPD-YRGRVCCFSA-N 2 0 251.374 0.928 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000491784138 262045964 /nfs/dbraw/zinc/04/59/64/262045964.db2.gz QHAXSLTVNFKKNA-QWHCGFSZSA-N 2 0 266.389 0.320 20 30 CCEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])NC3CC3)ccn2)CC1 ZINC000264083170 262866938 /nfs/dbraw/zinc/86/69/38/262866938.db2.gz IXQCLJRXDBCYGJ-UHFFFAOYSA-N 2 0 288.399 0.400 20 30 CCEDRP NC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267467577 262932485 /nfs/dbraw/zinc/93/24/85/262932485.db2.gz WVIRMEWAJABBMQ-CYBMUJFWSA-N 2 0 289.383 0.157 20 30 CCEDRP CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284931903 263088485 /nfs/dbraw/zinc/08/84/85/263088485.db2.gz COTXNZGIHZNLSQ-CMPLNLGQSA-N 2 0 264.377 0.337 20 30 CCEDRP C[C@@H]1C[NH+](CC#CC[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000342119821 263389711 /nfs/dbraw/zinc/38/97/11/263389711.db2.gz CZCLYBUTMYOSGQ-GEEKYZPCSA-N 2 0 280.412 0.395 20 30 CCEDRP CC(C)(C)NC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914923 329072262 /nfs/dbraw/zinc/07/22/62/329072262.db2.gz NBPBIEMLZMCVQS-UHFFFAOYSA-N 2 0 256.394 0.800 20 30 CCEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)Nc1cc(F)ccc1F ZINC000262303029 328148305 /nfs/dbraw/zinc/14/83/05/328148305.db2.gz QSDQDYCPONNSBT-LLVKDONJSA-N 2 0 295.337 0.691 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000563887693 328549708 /nfs/dbraw/zinc/54/97/08/328549708.db2.gz LFYBKKWKAGLCGQ-OCCSQVGLSA-N 2 0 267.373 0.117 20 30 CCEDRP CC1(C)COCCN1CCNC(=[NH2+])N1CCSCC1 ZINC000170914955 329072404 /nfs/dbraw/zinc/07/24/04/329072404.db2.gz NQIWLASMXIXFEX-UHFFFAOYSA-N 2 0 286.445 0.461 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000171732457 329079415 /nfs/dbraw/zinc/07/94/15/329079415.db2.gz XLOHOOYWDTYRJB-UHFFFAOYSA-N 2 0 298.431 0.514 20 30 CCEDRP CN(CCC[NH+]1CCN(C)CC1)C[C@H](C#N)CCC#N ZINC000182959796 329246031 /nfs/dbraw/zinc/24/60/31/329246031.db2.gz CCIJNZVFFBPNTL-HNNXBMFYSA-N 2 0 277.416 0.999 20 30 CCEDRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000584410886 329460609 /nfs/dbraw/zinc/46/06/09/329460609.db2.gz YFMSTRGOLFSLSV-ZIAGYGMSSA-N 2 0 296.415 0.217 20 30 CCEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc[nH]1 ZINC000261925682 329989181 /nfs/dbraw/zinc/98/91/81/329989181.db2.gz JAMYQCZUENSYHP-CQSZACIVSA-N 2 0 290.415 0.022 20 30 CCEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC(C)C)C1 ZINC000262188180 330001531 /nfs/dbraw/zinc/00/15/31/330001531.db2.gz CAQRDJUYLVLBEV-GFCCVEGCSA-N 2 0 256.394 0.656 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262544953 330020558 /nfs/dbraw/zinc/02/05/58/330020558.db2.gz UTRIGDVZMWJGNX-TZMCWYRMSA-N 2 0 268.405 0.802 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000262790251 330031553 /nfs/dbraw/zinc/03/15/53/330031553.db2.gz NYEDZASSGMUXPK-TZMCWYRMSA-N 2 0 268.405 0.944 20 30 CCEDRP C[N@@H+]1CCN(CCNC(=[NH2+])N2CCSCC2)CC1(C)C ZINC000262815966 330033831 /nfs/dbraw/zinc/03/38/31/330033831.db2.gz WOUOULGUUSYBDX-UHFFFAOYSA-N 2 0 299.488 0.376 20 30 CCEDRP C[NH+](C)[C@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCSC1 ZINC000424127970 330259603 /nfs/dbraw/zinc/25/96/03/330259603.db2.gz DXYZCNDUKWJZOS-AAEUAGOBSA-N 2 0 284.429 0.561 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC)CC1 ZINC000490655796 332100414 /nfs/dbraw/zinc/10/04/14/332100414.db2.gz CHHBZKFPXLATQK-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000491067064 332144424 /nfs/dbraw/zinc/14/44/24/332144424.db2.gz GFNWNPXGVIHOBQ-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000491164712 332159102 /nfs/dbraw/zinc/15/91/02/332159102.db2.gz DVULORNRSYFMDK-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](CC)CC1 ZINC000491462774 332216096 /nfs/dbraw/zinc/21/60/96/332216096.db2.gz KKCRCXZIMYIHLC-UHFFFAOYSA-N 2 0 251.374 0.447 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000491730397 332312248 /nfs/dbraw/zinc/31/22/48/332312248.db2.gz OSYSJUWEFKRJQN-AWEZNQCLSA-N 2 0 280.416 0.712 20 30 CCEDRP C=C[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000669253090 545203526 /nfs/dbraw/zinc/20/35/26/545203526.db2.gz VJHKZDLRSKQTRQ-CQSZACIVSA-N 2 0 295.427 0.600 20 30 CCEDRP C[NH+](CC#CC[N@@H+](C)C[C@H](O)C1CC1)C[C@@H](O)C1CC1 ZINC000671241807 545244796 /nfs/dbraw/zinc/24/47/96/545244796.db2.gz DVEMZEZWVATHHZ-IYBDPMFKSA-N 2 0 280.412 0.395 20 30 CCEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305816592 649880473 /nfs/dbraw/zinc/88/04/73/649880473.db2.gz MMNDHWXTZUIOCP-LBPRGKRZSA-N 2 0 267.421 0.421 20 30 CCEDRP CN(C(=[NH2+])NCCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000305824271 649880989 /nfs/dbraw/zinc/88/09/89/649880989.db2.gz QJLSNDUVQFDMEH-UHFFFAOYSA-N 2 0 267.421 0.421 20 30 CCEDRP C#CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000760856252 581876139 /nfs/dbraw/zinc/87/61/39/581876139.db2.gz PXLNJMFRLZZJIZ-UHFFFAOYSA-N 2 0 251.374 0.400 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCCN1CC[NH+](CC)CC1 ZINC000764266887 582040626 /nfs/dbraw/zinc/04/06/26/582040626.db2.gz RACVLUYDWRRMAJ-UHFFFAOYSA-N 2 0 282.432 0.248 20 30 CCEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878865392 612947526 /nfs/dbraw/zinc/94/75/26/612947526.db2.gz XVNDMSPKADUMHV-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000895057112 613074250 /nfs/dbraw/zinc/07/42/50/613074250.db2.gz RRJJGVQXSJWFSP-UONOGXRCSA-N 2 0 278.400 0.287 20 30 CCEDRP C#C[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875720446 613081116 /nfs/dbraw/zinc/08/11/16/613081116.db2.gz NCMKYIWWAAUHDN-MGPQQGTHSA-N 2 0 280.416 0.389 20 30 CCEDRP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000971793695 613084186 /nfs/dbraw/zinc/08/41/86/613084186.db2.gz FOKODKOOYFNMKI-ZIAGYGMSSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CCOCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000851860541 612984394 /nfs/dbraw/zinc/98/43/94/612984394.db2.gz KOYNAISTKJHVQR-RBSFLKMASA-N 2 0 266.385 0.820 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC000961769872 613042676 /nfs/dbraw/zinc/04/26/76/613042676.db2.gz FJBSEAYRVYMHGI-NYTXWWLZSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C1CC[NH+](C)CC1 ZINC000925346533 613067841 /nfs/dbraw/zinc/06/78/41/613067841.db2.gz CZLVQKBLHRLNCO-DZGCQCFKSA-N 2 0 292.427 0.818 20 30 CCEDRP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000886573849 613068779 /nfs/dbraw/zinc/06/87/79/613068779.db2.gz YYKJJELZLRKKAE-AWEZNQCLSA-N 2 0 263.385 0.637 20 30 CCEDRP C#CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000886365821 613074618 /nfs/dbraw/zinc/07/46/18/613074618.db2.gz QDUDRSVOSMOIMP-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861634897 613074648 /nfs/dbraw/zinc/07/46/48/613074648.db2.gz VCBRBYQIZZRKKF-IYBDPMFKSA-N 2 0 292.427 0.583 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912920490 613128964 /nfs/dbraw/zinc/12/89/64/613128964.db2.gz XAFZHMNPJSVQBN-OAHLLOKOSA-N 2 0 275.396 0.638 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC=C)C2)CC1 ZINC000970926576 613131037 /nfs/dbraw/zinc/13/10/37/613131037.db2.gz WEHVDHCGTJCPMJ-AWEZNQCLSA-N 2 0 289.423 0.954 20 30 CCEDRP C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905463145 613175508 /nfs/dbraw/zinc/17/55/08/613175508.db2.gz XRSIXPZFYKZWMX-HUUCEWRRSA-N 2 0 265.401 0.130 20 30 CCEDRP C[NH+]=C(NCCC[N@@H+]1CCCO[C@H](C)C1)NC1CC1 ZINC000849022521 613219501 /nfs/dbraw/zinc/21/95/01/613219501.db2.gz GMSVSHNKMYEBIL-GFCCVEGCSA-N 2 0 268.405 0.815 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944942507 613225480 /nfs/dbraw/zinc/22/54/80/613225480.db2.gz AEYVGVNUWSDNEC-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942506 613226041 /nfs/dbraw/zinc/22/60/41/613226041.db2.gz AEYVGVNUWSDNEC-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221427 613226045 /nfs/dbraw/zinc/22/60/45/613226045.db2.gz UKTFLKJYKYOLFG-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000977473643 613280570 /nfs/dbraw/zinc/28/05/70/613280570.db2.gz YECFFYRBZYFQJH-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982807972 613292624 /nfs/dbraw/zinc/29/26/24/613292624.db2.gz JTWYJEPECXUMJU-CALCHBBNSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974584010 613298716 /nfs/dbraw/zinc/29/87/16/613298716.db2.gz CBFDUIGBOXBZOS-CABCVRRESA-N 2 0 289.423 0.788 20 30 CCEDRP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893190 613310273 /nfs/dbraw/zinc/31/02/73/613310273.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 0 281.400 0.427 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960285964 613313792 /nfs/dbraw/zinc/31/37/92/613313792.db2.gz DBUHACVLXGKYBV-AIANPOQGSA-N 2 0 289.423 0.929 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962298963 613344309 /nfs/dbraw/zinc/34/43/09/613344309.db2.gz QBIMFUMHJGDXBK-WDNDVIMCSA-N 2 0 275.396 0.705 20 30 CCEDRP C=C(C)CNC(=[NH2+])NCC[NH+]1CCC(OC)CC1 ZINC000849011811 613346364 /nfs/dbraw/zinc/34/63/64/613346364.db2.gz MOBPURHTTXMWQB-UHFFFAOYSA-N 2 0 254.378 0.787 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000900967617 613364062 /nfs/dbraw/zinc/36/40/62/613364062.db2.gz YIFUAPUVWNUNIG-OAHLLOKOSA-N 2 0 295.427 0.675 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000876772954 613387887 /nfs/dbraw/zinc/38/78/87/613387887.db2.gz JWEIXPQFOXAYMR-MWLCHTKSSA-N 2 0 259.781 0.914 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876539232 613389468 /nfs/dbraw/zinc/38/94/68/613389468.db2.gz ZSURTTJGKMZFFB-VWYCJHECSA-N 2 0 257.765 0.809 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000911880681 613472914 /nfs/dbraw/zinc/47/29/14/613472914.db2.gz ADOOLAFDGLFCLY-WOPDTQHZSA-N 2 0 255.362 0.245 20 30 CCEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000923346307 613585883 /nfs/dbraw/zinc/58/58/83/613585883.db2.gz QYELELZKMCSLOM-UONOGXRCSA-N 2 0 283.416 0.633 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169378 613595804 /nfs/dbraw/zinc/59/58/04/613595804.db2.gz OQVSRZJLEWLVGE-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[N@@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629830 613627956 /nfs/dbraw/zinc/62/79/56/613627956.db2.gz YLVYIUUWCVJITQ-AWEZNQCLSA-N 2 0 295.427 0.816 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970869942 613670215 /nfs/dbraw/zinc/67/02/15/613670215.db2.gz RXJMJMLCPQLKSR-RYUDHWBXSA-N 2 0 251.374 0.561 20 30 CCEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)C1=O ZINC000903499729 613778248 /nfs/dbraw/zinc/77/82/48/613778248.db2.gz MRMXIJJAWYDXEU-UPJWGTAASA-N 2 0 251.374 0.690 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979068201 613834974 /nfs/dbraw/zinc/83/49/74/613834974.db2.gz HCBPYORLOTVXDC-SYQHCUMBSA-N 2 0 263.385 0.418 20 30 CCEDRP C=CCONC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875649150 613883737 /nfs/dbraw/zinc/88/37/37/613883737.db2.gz COALFIUADDNYND-CHWSQXEVSA-N 2 0 284.404 0.485 20 30 CCEDRP CC(C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCCCC1 ZINC000844194324 614191225 /nfs/dbraw/zinc/19/12/25/614191225.db2.gz DNRCXHJFYMPRAZ-BFHYXJOUSA-N 2 0 278.400 0.725 20 30 CCEDRP CC(C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000104174564 614300105 /nfs/dbraw/zinc/30/01/05/614300105.db2.gz ORRJPYQZEOKUKZ-LBPRGKRZSA-N 2 0 255.410 0.183 20 30 CCEDRP CC1(C)CC[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884468094 614548963 /nfs/dbraw/zinc/54/89/63/614548963.db2.gz QHPWMLXUNCDBEJ-UYJPIKCFSA-N 2 0 290.411 0.726 20 30 CCEDRP CC1(C)CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[NH2+]C1 ZINC000877152971 614571856 /nfs/dbraw/zinc/57/18/56/614571856.db2.gz DJUHUFHEDCEIMV-CQSZACIVSA-N 2 0 277.412 0.884 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000104174743 615159999 /nfs/dbraw/zinc/15/99/99/615159999.db2.gz LNQYLPSHVWFKBL-ZIAGYGMSSA-N 2 0 299.463 0.199 20 30 CCEDRP CCN1CC[NH+](C[C@H](C)CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000848994365 615160056 /nfs/dbraw/zinc/16/00/56/615160056.db2.gz FHFIAXQPCDVNBC-OLZOCXBDSA-N 2 0 267.421 0.197 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859599 615270742 /nfs/dbraw/zinc/27/07/42/615270742.db2.gz XSYVQRKDVLODEV-CQSZACIVSA-N 2 0 263.385 0.447 20 30 CCEDRP C[NH+](C)CCn1ccc(NC(=O)C#CC2CC[NH2+]CC2)n1 ZINC000852863135 615917909 /nfs/dbraw/zinc/91/79/09/615917909.db2.gz AGAKIYFDOOPICJ-UHFFFAOYSA-N 2 0 289.383 0.386 20 30 CCEDRP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCN2C)c1C#N ZINC000895597583 616948983 /nfs/dbraw/zinc/94/89/83/616948983.db2.gz JGNKKWKCFIPRQP-GFCCVEGCSA-N 2 0 290.371 0.466 20 30 CCEDRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843459242 616971954 /nfs/dbraw/zinc/97/19/54/616971954.db2.gz CRGIRVOQOXBGES-TZMCWYRMSA-N 2 0 272.352 0.290 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001026045557 625325533 /nfs/dbraw/zinc/32/55/33/625325533.db2.gz HWRIWCZLJOMJSD-BTFPBAQTSA-N 2 0 275.396 0.254 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001022716818 622693249 /nfs/dbraw/zinc/69/32/49/622693249.db2.gz JCGNXJUOXORPKJ-MQYQWHSLSA-N 2 0 265.401 0.997 20 30 CCEDRP CCC[NH+]1CCC(CNC(=[NH2+])NCCOC)CC1 ZINC000161538718 622862252 /nfs/dbraw/zinc/86/22/52/622862252.db2.gz USKJWSJXQOTDON-UHFFFAOYSA-N 2 0 256.394 0.659 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084503 622900681 /nfs/dbraw/zinc/90/06/81/622900681.db2.gz QSAGDCIKAYMUKO-UTUOFQBUSA-N 2 0 271.792 0.927 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024441269 623324372 /nfs/dbraw/zinc/32/43/72/623324372.db2.gz CHMAPWRTLCZVQX-HZPDHXFCSA-N 2 0 289.423 0.932 20 30 CCEDRP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001024808180 623450145 /nfs/dbraw/zinc/45/01/45/623450145.db2.gz DOKWLYAARLGVPT-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001020591142 624545141 /nfs/dbraw/zinc/54/51/41/624545141.db2.gz FRCVGVWQKKXLQB-JOCQHMNTSA-N 2 0 263.385 0.588 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001022090343 624872283 /nfs/dbraw/zinc/87/22/83/624872283.db2.gz WRWAAMVLTZLUCJ-MJBXVCDLSA-N 2 0 261.369 0.198 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1CCN(C2CC2)C1 ZINC000083094592 630968150 /nfs/dbraw/zinc/96/81/50/630968150.db2.gz NLQOKOMSFCEYBC-OCCSQVGLSA-N 2 0 280.416 0.957 20 30 CCEDRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000178726020 631533172 /nfs/dbraw/zinc/53/31/72/631533172.db2.gz YQHOIXLSHUKFDL-ZDUSSCGKSA-N 2 0 270.421 0.905 20 30 CCEDRP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000985355052 632446952 /nfs/dbraw/zinc/44/69/52/632446952.db2.gz SKGDQXPBXLDVFB-CQSZACIVSA-N 2 0 281.400 0.426 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000304013773 632504825 /nfs/dbraw/zinc/50/48/25/632504825.db2.gz CBJXRSKLZTZYNF-STQMWFEESA-N 2 0 268.405 0.944 20 30 CCEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])N(C)C2CC2)C[C@H](C)O1 ZINC000305828882 632536928 /nfs/dbraw/zinc/53/69/28/632536928.db2.gz SJGTUBPFNFSDRN-RYUDHWBXSA-N 2 0 268.405 0.895 20 30 CCEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010382613 650212501 /nfs/dbraw/zinc/21/25/01/650212501.db2.gz LJMFSRSUBNQDRE-CHWSQXEVSA-N 2 0 251.374 0.847 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170914727 637105589 /nfs/dbraw/zinc/10/55/89/637105589.db2.gz KKGAMTIPSXYOJS-LBPRGKRZSA-N 2 0 277.372 0.919 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996679053 638828254 /nfs/dbraw/zinc/82/82/54/638828254.db2.gz PQNBSUVNZTXRTL-CQSZACIVSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001014456127 650453076 /nfs/dbraw/zinc/45/30/76/650453076.db2.gz NIFCFUQVBQKHAS-LSDHHAIUSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCF)CC2)CC1 ZINC000997364434 638864241 /nfs/dbraw/zinc/86/42/41/638864241.db2.gz MXANYCBELXBFAO-UHFFFAOYSA-N 2 0 295.402 0.882 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CC)CC2)CC1 ZINC000997362890 638864271 /nfs/dbraw/zinc/86/42/71/638864271.db2.gz DOXSKYGBPLNLTE-UHFFFAOYSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999509000 638983672 /nfs/dbraw/zinc/98/36/72/638983672.db2.gz IMEJQMQPJHZYMT-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000904433 639187558 /nfs/dbraw/zinc/18/75/58/639187558.db2.gz VHYIWBHQGMIGFG-UHFFFAOYSA-N 2 0 287.407 0.996 20 30 CCEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001000919315 639195142 /nfs/dbraw/zinc/19/51/42/639195142.db2.gz LIIHUSJSJBPOBD-CYBMUJFWSA-N 2 0 251.374 0.849 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001000993717 639212359 /nfs/dbraw/zinc/21/23/59/639212359.db2.gz SIHMPPCVQPYTRI-MRXNPFEDSA-N 2 0 287.407 0.545 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001145790 639246201 /nfs/dbraw/zinc/24/62/01/639246201.db2.gz VSFGIKXNUSGKRL-DZGCQCFKSA-N 2 0 275.396 0.566 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001151004 639247376 /nfs/dbraw/zinc/24/73/76/639247376.db2.gz JSEYZIHZWJKSBR-ZBFHGGJFSA-N 2 0 289.423 0.956 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001150729 639247805 /nfs/dbraw/zinc/24/78/05/639247805.db2.gz JSEYZIHZWJKSBR-GDBMZVCRSA-N 2 0 289.423 0.956 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001001447564 639305949 /nfs/dbraw/zinc/30/59/49/639305949.db2.gz CKRDOWDGAGISNI-AWEZNQCLSA-N 2 0 261.369 0.320 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001016335199 639466312 /nfs/dbraw/zinc/46/63/12/639466312.db2.gz BPIMCQILRXWJOV-HNNXBMFYSA-N 2 0 295.402 0.882 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002828969 639466443 /nfs/dbraw/zinc/46/64/43/639466443.db2.gz NTMIYKDZFOSEEO-INIZCTEOSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001015997411 650672364 /nfs/dbraw/zinc/67/23/64/650672364.db2.gz BXFSJSFOFSDOQG-ZIAGYGMSSA-N 2 0 263.385 0.542 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000834484348 642574883 /nfs/dbraw/zinc/57/48/83/642574883.db2.gz HMJAHQVCZOCODN-XETPVMHDSA-N 2 0 262.357 0.135 20 30 CCEDRP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCCCCC1 ZINC000834490106 642579447 /nfs/dbraw/zinc/57/94/47/642579447.db2.gz RXLCHLYTTCMNKB-FRRDWIJNSA-N 2 0 264.373 0.479 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000852827517 644013623 /nfs/dbraw/zinc/01/36/23/644013623.db2.gz JYUOCJQQYOCLBY-ZWNOBZJWSA-N 2 0 256.309 0.131 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000852874817 644036355 /nfs/dbraw/zinc/03/63/55/644036355.db2.gz CHRXMQRIYIBUFA-FZMZJTMJSA-N 2 0 270.336 0.174 20 30 CCEDRP c1cnn(N=C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000863165696 645063961 /nfs/dbraw/zinc/06/39/61/645063961.db2.gz LHGXCXMGJDYJDO-UHFFFAOYSA-N 2 0 277.372 0.515 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC1(C[NH3+])CC1 ZINC000876947590 646703424 /nfs/dbraw/zinc/70/34/24/646703424.db2.gz IXKCKZDNCZTXHB-HNNXBMFYSA-N 2 0 298.390 0.990 20 30 CCEDRP CCN1CC[NH+](CCCCNC(NC2CC2)=[NH+]C)CC1 ZINC000303401201 649819316 /nfs/dbraw/zinc/81/93/16/649819316.db2.gz LSWTUQXDBWCMKH-UHFFFAOYSA-N 2 0 281.448 0.732 20 30 CCEDRP CC[NH+]1CCN([C@H](C)CNC(NC(C)(C)C)=[NH+]C)CC1 ZINC000303475882 649821439 /nfs/dbraw/zinc/82/14/39/649821439.db2.gz MJLIOWMORDNMGD-CYBMUJFWSA-N 2 0 283.464 0.976 20 30 CCEDRP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303701028 649824130 /nfs/dbraw/zinc/82/41/30/649824130.db2.gz HWZRPTHQCOLOBD-ZIAGYGMSSA-N 3 0 281.448 0.859 20 30 CCEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000303874330 649825908 /nfs/dbraw/zinc/82/59/08/649825908.db2.gz HDKCKNVADVPWCA-CABCVRRESA-N 2 0 295.475 0.917 20 30 CCEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCC(C)C)CC1 ZINC000303894950 649826579 /nfs/dbraw/zinc/82/65/79/649826579.db2.gz PGBLQNMDGPBYBX-UHFFFAOYSA-N 2 0 255.410 0.184 20 30 CCEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303898586 649826583 /nfs/dbraw/zinc/82/65/83/649826583.db2.gz RDVXWWQJFRQYDI-CQSZACIVSA-N 2 0 299.463 0.343 20 30 CCEDRP CC[N@H+](CCNC(NCCN1CCOCC1)=[NH+]C)C(C)C ZINC000303970188 649827238 /nfs/dbraw/zinc/82/72/38/649827238.db2.gz CJZHVTUMXVIASC-UHFFFAOYSA-N 2 0 299.463 0.214 20 30 CCEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303975485 649827408 /nfs/dbraw/zinc/82/74/08/649827408.db2.gz JBIPMFXFIPDFLM-CYBMUJFWSA-N 2 0 268.405 0.898 20 30 CCEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303975486 649827488 /nfs/dbraw/zinc/82/74/88/649827488.db2.gz JBIPMFXFIPDFLM-ZDUSSCGKSA-N 2 0 268.405 0.898 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303976751 649827574 /nfs/dbraw/zinc/82/75/74/649827574.db2.gz KNVSCUWENXBLDV-GHMZBOCLSA-N 2 0 270.377 0.184 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304757117 649838157 /nfs/dbraw/zinc/83/81/57/649838157.db2.gz OJSJPLWOELQKRB-UONOGXRCSA-N 2 0 298.431 0.571 20 30 CCEDRP C=CCOCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001266308693 790483151 /nfs/dbraw/zinc/48/31/51/790483151.db2.gz AJVWYSUFVRFPFM-CYBMUJFWSA-N 2 0 269.389 0.331 20 30 CCEDRP C#CC[NH+](CCO)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001098525002 790499531 /nfs/dbraw/zinc/49/95/31/790499531.db2.gz ZEXXBJJOTLKEKB-UHFFFAOYSA-N 2 0 295.427 0.247 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266427796 790681323 /nfs/dbraw/zinc/68/13/23/790681323.db2.gz AYYOJEDUGBHBFV-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041677422 790827068 /nfs/dbraw/zinc/82/70/68/790827068.db2.gz BXJHRJBHMLCMEK-RDJZCZTQSA-N 2 0 289.423 0.886 20 30 CCEDRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC#CCOC)C1)[NH+](C)C ZINC001266533673 790887205 /nfs/dbraw/zinc/88/72/05/790887205.db2.gz ODDNTLAEVCAFNW-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266949683 791385795 /nfs/dbraw/zinc/38/57/95/791385795.db2.gz JWVCJBAJZUBVEH-OLZOCXBDSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC2CC2)CC1 ZINC001266993704 791428084 /nfs/dbraw/zinc/42/80/84/791428084.db2.gz DEAQYMXTTNQCNR-ZDUSSCGKSA-N 2 0 277.412 0.836 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267041422 791474115 /nfs/dbraw/zinc/47/41/15/791474115.db2.gz NNCAJHQYOGIFKK-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267068783 791495891 /nfs/dbraw/zinc/49/58/91/791495891.db2.gz ITVJQGCMMLZACI-ZIAGYGMSSA-N 2 0 263.385 0.400 20 30 CCEDRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC#CCOC ZINC001267116699 791556760 /nfs/dbraw/zinc/55/67/60/791556760.db2.gz FLJAWUQDCBZPPO-HNNXBMFYSA-N 2 0 295.427 0.559 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167608258 791624489 /nfs/dbraw/zinc/62/44/89/791624489.db2.gz CMXWWGNEENYVIX-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP C#CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167636800 791663880 /nfs/dbraw/zinc/66/38/80/791663880.db2.gz VXDXYPHIUSLLAI-UHFFFAOYSA-N 2 0 265.401 0.838 20 30 CCEDRP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267230520 791709370 /nfs/dbraw/zinc/70/93/70/791709370.db2.gz QKQWSZVDCJFQKW-AWEZNQCLSA-N 2 0 281.400 0.026 20 30 CCEDRP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122248503 799179133 /nfs/dbraw/zinc/17/91/33/799179133.db2.gz JYMDEKMLFKZXNU-UHFFFAOYSA-N 2 0 277.412 0.977 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150195364 800322593 /nfs/dbraw/zinc/32/25/93/800322593.db2.gz YTPBXBQBHPEXER-CQSZACIVSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCCOC)CC1 ZINC001152331023 800511163 /nfs/dbraw/zinc/51/11/63/800511163.db2.gz YWAUSZROVPYEOY-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152457397 800525701 /nfs/dbraw/zinc/52/57/01/800525701.db2.gz DAGAXUWGOYHGFK-AWEZNQCLSA-N 2 0 283.416 0.769 20 30 CCEDRP N#Cc1cc(F)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157093863 801297567 /nfs/dbraw/zinc/29/75/67/801297567.db2.gz GFYPEZOOGSQSLV-UHFFFAOYSA-N 2 0 250.281 0.768 20 30 CCEDRP COc1cc(C#N)nc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001157096409 801299109 /nfs/dbraw/zinc/29/91/09/801299109.db2.gz JNBRTWNXKWXMPV-UHFFFAOYSA-N 2 0 262.317 0.637 20 30 CCEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506540 801660299 /nfs/dbraw/zinc/66/02/99/801660299.db2.gz LUBYVJNOOVBMOM-CABCVRRESA-N 2 0 295.427 0.912 20 30 CCEDRP C=CCNC(=O)c1cccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159787108 801871125 /nfs/dbraw/zinc/87/11/25/801871125.db2.gz RKEKGUHXJDSKOL-LLVKDONJSA-N 2 0 263.345 0.433 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001160273216 801926470 /nfs/dbraw/zinc/92/64/70/801926470.db2.gz JLJTUCGIYRSLTH-AWEZNQCLSA-N 2 0 265.401 0.980 20 30 CCEDRP CCCCN(CC#N)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160730271 802012666 /nfs/dbraw/zinc/01/26/66/802012666.db2.gz ORANJSSSGCFBSO-TZMCWYRMSA-N 2 0 264.373 0.338 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001278326669 806964656 /nfs/dbraw/zinc/96/46/56/806964656.db2.gz SNXOGTQDZHHCFZ-LSDHHAIUSA-N 2 0 295.427 0.555 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872637 802431655 /nfs/dbraw/zinc/43/16/55/802431655.db2.gz ZBAOIQXMPVDRPU-BBBYJDLNSA-N 2 0 293.411 0.522 20 30 CCEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc(C#N)nc1C ZINC001163128403 802488595 /nfs/dbraw/zinc/48/85/95/802488595.db2.gz KDGIFCVDIAINFO-UHFFFAOYSA-N 2 0 275.360 0.935 20 30 CCEDRP N#Cc1c2c(cnc1N1CCC[C@@H]3[NH2+]C[C@@H]31)C[NH2+]CCC2 ZINC001165387149 802832041 /nfs/dbraw/zinc/83/20/41/802832041.db2.gz IOECJPUAFRXOJO-GJZGRUSLSA-N 2 0 283.379 0.930 20 30 CCEDRP N#Cc1c2c(cnc1N1CCC[C@@H]3[NH2+]C[C@H]31)C[NH2+]CCC2 ZINC001165387151 802832253 /nfs/dbraw/zinc/83/22/53/802832253.db2.gz IOECJPUAFRXOJO-LSDHHAIUSA-N 2 0 283.379 0.930 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626950 802926643 /nfs/dbraw/zinc/92/66/43/802926643.db2.gz MZJAMYXXFBGZCK-AWEZNQCLSA-N 2 0 281.400 0.216 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166925113 802977896 /nfs/dbraw/zinc/97/78/96/802977896.db2.gz XHFVAJGYCWUKRC-OAHLLOKOSA-N 2 0 295.427 0.607 20 30 CCEDRP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203357698 803025695 /nfs/dbraw/zinc/02/56/95/803025695.db2.gz HBAUHARNUYRJCV-KGLIPLIRSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699334 803042933 /nfs/dbraw/zinc/04/29/33/803042933.db2.gz IMFCTGLZNWMVPJ-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP COCC#CC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206152228 803211239 /nfs/dbraw/zinc/21/12/39/803211239.db2.gz HGYGRVNSYKTTQK-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873980 803296843 /nfs/dbraw/zinc/29/68/43/803296843.db2.gz ZFBFBXFCRFCSIV-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208435087 803514790 /nfs/dbraw/zinc/51/47/90/803514790.db2.gz RKQGXRGGHUGIPQ-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495936 803518286 /nfs/dbraw/zinc/51/82/86/803518286.db2.gz DNXDABFYJRHEJA-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209315252 803593825 /nfs/dbraw/zinc/59/38/25/803593825.db2.gz PMAWWEDIYWEQKR-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453776 803605321 /nfs/dbraw/zinc/60/53/21/803605321.db2.gz CVZKEQPCNLALML-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213859856 803703825 /nfs/dbraw/zinc/70/38/25/803703825.db2.gz MYHVHZNPXGXOTN-RRFJBIMHSA-N 2 0 295.427 0.720 20 30 CCEDRP COCC#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001276711840 803744668 /nfs/dbraw/zinc/74/46/68/803744668.db2.gz NZNJOSAYAMPVLR-HNNXBMFYSA-N 2 0 295.427 0.461 20 30 CCEDRP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216752523 803854724 /nfs/dbraw/zinc/85/47/24/803854724.db2.gz SICADWFIHAFHKG-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP N#Cc1ccnc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001218503358 803969585 /nfs/dbraw/zinc/96/95/85/803969585.db2.gz GEDCJTFNDCPJPV-BXUZGUMPSA-N 2 0 271.324 0.091 20 30 CCEDRP N#Cc1cnc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1 ZINC001218504726 803972075 /nfs/dbraw/zinc/97/20/75/803972075.db2.gz SCORWOPGFFDKFC-NSHDSACASA-N 2 0 286.339 0.161 20 30 CCEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnc(C#N)cn1 ZINC001218503820 803972269 /nfs/dbraw/zinc/97/22/69/803972269.db2.gz KAYDKGCZYFDAHV-JTQLQIEISA-N 2 0 262.317 0.004 20 30 CCEDRP Cc1nc(C#N)c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001218649496 804057890 /nfs/dbraw/zinc/05/78/90/804057890.db2.gz CKOUFIMXOMBYAT-JTQLQIEISA-N 2 0 289.339 0.667 20 30 CCEDRP N#Cc1cc[nH]c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218654302 804064683 /nfs/dbraw/zinc/06/46/83/804064683.db2.gz JPQNBCAUKNPEIC-NSHDSACASA-N 2 0 273.340 0.699 20 30 CCEDRP Cc1ncc(C#N)cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218659310 804069250 /nfs/dbraw/zinc/06/92/50/804069250.db2.gz PSCNRNSWUSWTAB-IUODEOHRSA-N 2 0 285.351 0.399 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)cc1C#N ZINC001218986753 804175155 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20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC1(C(=O)OCC)C[NH2+]C1 ZINC001220850902 804681261 /nfs/dbraw/zinc/68/12/61/804681261.db2.gz ADSALJIFRZHIGJ-LBPRGKRZSA-N 2 0 297.399 0.472 20 30 CCEDRP C#CC[C@]1(C(=O)N[C@@H](C[NH3+])C(C)(C)C)CCC[NH2+]1 ZINC001220859539 804682413 /nfs/dbraw/zinc/68/24/13/804682413.db2.gz CIBYGIDVXVDTLO-SMDDNHRTSA-N 2 0 251.374 0.622 20 30 CCEDRP C#CC1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCCCC1 ZINC001221275873 804762625 /nfs/dbraw/zinc/76/26/25/804762625.db2.gz JAJZMTUFHGHOQU-ZDUSSCGKSA-N 2 0 263.385 0.766 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001221403366 804805998 /nfs/dbraw/zinc/80/59/98/804805998.db2.gz SGBGAXMWLMKQQX-YIZWMMSDSA-N 2 0 251.374 0.574 20 30 CCEDRP C=CCOCC[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001276956538 805014549 /nfs/dbraw/zinc/01/45/49/805014549.db2.gz NRLAFYDMJMJYEP-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC=C)CC2)CC1 ZINC001277259140 805405205 /nfs/dbraw/zinc/40/52/05/805405205.db2.gz HXOWXLBEJIWOJM-UHFFFAOYSA-N 2 0 275.396 0.756 20 30 CCEDRP N#C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1 ZINC001246152479 807168848 /nfs/dbraw/zinc/16/88/48/807168848.db2.gz ZARDGHYBGCWIAF-RDBSUJKOSA-N 2 0 277.416 0.094 20 30 CCEDRP CS(=O)(=O)c1ccc(C(=[NH2+])N[C@H]2CCC[NH2+]C2)cc1 ZINC001246320033 807220708 /nfs/dbraw/zinc/22/07/08/807220708.db2.gz XIMDAUDZYGXQKK-NSHDSACASA-N 2 0 281.381 0.547 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001278613710 807622946 /nfs/dbraw/zinc/62/29/46/807622946.db2.gz NFYHUROCKNIPLH-GJZGRUSLSA-N 2 0 277.412 0.980 20 30 CCEDRP CC[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001251712251 807696859 /nfs/dbraw/zinc/69/68/59/807696859.db2.gz ZBUVXHBBIVGOGS-CYBMUJFWSA-N 2 0 266.389 0.287 20 30 CCEDRP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001251888670 807736030 /nfs/dbraw/zinc/73/60/30/807736030.db2.gz YBNKUONGOPXMIT-OAHLLOKOSA-N 2 0 284.400 0.088 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001278728120 808075940 /nfs/dbraw/zinc/07/59/40/808075940.db2.gz BOGMYRSUQJSZDG-AWEZNQCLSA-N 2 0 293.411 0.216 20 30 CCEDRP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278737971 808127374 /nfs/dbraw/zinc/12/73/74/808127374.db2.gz XJRBBMXOKKSJBW-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001279205016 808534552 /nfs/dbraw/zinc/53/45/52/808534552.db2.gz RMLKAVVTPVWRGZ-KBPBESRZSA-N 2 0 265.401 0.644 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001261552599 809018117 /nfs/dbraw/zinc/01/81/17/809018117.db2.gz WNAQWHYOUHUTCQ-YNEHKIRRSA-N 2 0 266.389 0.983 20 30 CCEDRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])CCCCC#N)CCOCC1 ZINC001261552617 809018395 /nfs/dbraw/zinc/01/83/95/809018395.db2.gz XIDZPDJDXNLTOG-ZDUSSCGKSA-N 2 0 296.415 0.625 20 30 CCEDRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001261552597 809018903 /nfs/dbraw/zinc/01/89/03/809018903.db2.gz WNAQWHYOUHUTCQ-RWMBFGLXSA-N 2 0 266.389 0.983 20 30 CCEDRP C#CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC001263101332 809443694 /nfs/dbraw/zinc/44/36/94/809443694.db2.gz PIOHRRFUKBBGOP-HUUCEWRRSA-N 2 0 295.427 0.462 20 30 CCEDRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001263253972 809496597 /nfs/dbraw/zinc/49/65/97/809496597.db2.gz YDJRABWABXHUMG-STQMWFEESA-N 2 0 282.388 0.235 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001263879197 809597145 /nfs/dbraw/zinc/59/71/45/809597145.db2.gz QFOAJAUMRGLDJM-RBSFLKMASA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264566799 809663051 /nfs/dbraw/zinc/66/30/51/809663051.db2.gz IHJOJKQGEVGROR-ILXRZTDVSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076572993 815310309 /nfs/dbraw/zinc/31/03/09/815310309.db2.gz KHGDVOCTKUCFNQ-UONOGXRCSA-N 2 0 261.369 0.248 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001265201469 809722332 /nfs/dbraw/zinc/72/23/32/809722332.db2.gz OSNUPGFYTZRTOD-UHFFFAOYSA-N 2 0 265.401 0.883 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265317272 809757294 /nfs/dbraw/zinc/75/72/94/809757294.db2.gz MHFKRJBISVJVQE-LSDHHAIUSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265590983 809811259 /nfs/dbraw/zinc/81/12/59/809811259.db2.gz LZACNOWZSUMXKH-CABCVRRESA-N 2 0 277.412 0.790 20 30 CCEDRP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266040725 809924265 /nfs/dbraw/zinc/92/42/65/809924265.db2.gz NIZQJDCUIXZUFV-OAHLLOKOSA-N 2 0 295.427 0.415 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001266154862 809950636 /nfs/dbraw/zinc/95/06/36/809950636.db2.gz HUOHSWBIYCLQQT-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266184360 809956858 /nfs/dbraw/zinc/95/68/58/809956858.db2.gz HXSTVTWDJLRTAF-STQMWFEESA-N 2 0 253.390 0.690 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001268009913 811948357 /nfs/dbraw/zinc/94/83/57/811948357.db2.gz LFWZRMVEYXSYKS-KGLIPLIRSA-N 2 0 267.417 0.938 20 30 CCEDRP C=CCN1CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268027146 812006272 /nfs/dbraw/zinc/00/62/72/812006272.db2.gz ZNLCAFOBTZTQRJ-KGLIPLIRSA-N 2 0 283.416 0.576 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100873146 812089629 /nfs/dbraw/zinc/08/96/29/812089629.db2.gz WEAPASRBNCMKFQ-NFOMZHRRSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027966170 812173965 /nfs/dbraw/zinc/17/39/65/812173965.db2.gz LISBURKKDLAWIR-MGPQQGTHSA-N 2 0 281.400 0.472 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001268216552 812369225 /nfs/dbraw/zinc/36/92/25/812369225.db2.gz LSFLYXGRIKMAIC-AWEZNQCLSA-N 2 0 265.401 0.692 20 30 CCEDRP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001268229218 812385247 /nfs/dbraw/zinc/38/52/47/812385247.db2.gz PIJIOFJQPXOMDD-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268736690 813053264 /nfs/dbraw/zinc/05/32/64/813053264.db2.gz SJSISXUUDPEEIB-AWEZNQCLSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001028638265 813087214 /nfs/dbraw/zinc/08/72/14/813087214.db2.gz FEZINKALTUJWJM-KGLIPLIRSA-N 2 0 286.379 0.517 20 30 CCEDRP C#CC[NH2+]C[C@@H](NC(=O)CC[N@@H+](C)CC)C1CC1 ZINC001269134970 813233313 /nfs/dbraw/zinc/23/33/13/813233313.db2.gz FTILDZJFCGMQSB-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028931910 813671238 /nfs/dbraw/zinc/67/12/38/813671238.db2.gz ZIQXTJYILQPVCX-AWEZNQCLSA-N 2 0 275.396 0.544 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001271057165 814132636 /nfs/dbraw/zinc/13/26/36/814132636.db2.gz UGBUCDZAFRZXBU-CQSZACIVSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993035 814306185 /nfs/dbraw/zinc/30/61/85/814306185.db2.gz XAGUTPGYTHVFCE-OWCLPIDISA-N 2 0 289.423 0.740 20 30 CCEDRP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271210747 814334883 /nfs/dbraw/zinc/33/48/83/814334883.db2.gz SVWGNPZEIGQPAE-GOEBONIOSA-N 2 0 297.443 0.702 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)C(C)C ZINC001271885757 814620097 /nfs/dbraw/zinc/62/00/97/814620097.db2.gz PMCRQAZTXPWOMK-CYBMUJFWSA-N 2 0 253.390 0.692 20 30 CCEDRP C=CC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001271931824 814634049 /nfs/dbraw/zinc/63/40/49/814634049.db2.gz HJNAIYYDZHCCFW-UHFFFAOYSA-N 2 0 294.443 0.438 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088572165 814923646 /nfs/dbraw/zinc/92/36/46/814923646.db2.gz ZSOKKMLUYIABTD-BMFZPTHFSA-N 2 0 289.423 0.931 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571764 814924029 /nfs/dbraw/zinc/92/40/29/814924029.db2.gz MPGZMRZBVUHTBU-KBMXLJTQSA-N 2 0 289.423 0.931 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001120773836 816216528 /nfs/dbraw/zinc/21/65/28/816216528.db2.gz HFBQVGNAMZONBY-CYBMUJFWSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626290 816826363 /nfs/dbraw/zinc/82/63/63/816826363.db2.gz AGJFAPOOTSZZLS-HUUCEWRRSA-N 2 0 297.443 0.825 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880397 816973525 /nfs/dbraw/zinc/97/35/25/816973525.db2.gz IKNJSZSSNOUJBN-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638819 817410077 /nfs/dbraw/zinc/41/00/77/817410077.db2.gz RFLGAWFFXPDSCB-CHWSQXEVSA-N 2 0 269.389 0.235 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077571046 817438775 /nfs/dbraw/zinc/43/87/75/817438775.db2.gz GRUZYDSRLBDJTM-BYNSBNAKSA-N 2 0 295.427 0.454 20 30 CCEDRP C=C(C)CN1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778344 817573631 /nfs/dbraw/zinc/57/36/31/817573631.db2.gz JIZISWZBRYLDLY-MCIONIFRSA-N 2 0 281.400 0.208 20 30 CCEDRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001124872962 817607734 /nfs/dbraw/zinc/60/77/34/817607734.db2.gz PXQJHXLFUNRNNA-HNNXBMFYSA-N 2 0 286.379 0.858 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078813251 818056129 /nfs/dbraw/zinc/05/61/29/818056129.db2.gz XZSWZXDIPBENEM-UONOGXRCSA-N 2 0 275.396 0.732 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032945618 818381206 /nfs/dbraw/zinc/38/12/06/818381206.db2.gz PVSFUHAOQGKXOC-CHWSQXEVSA-N 2 0 251.374 0.799 20 30 CCEDRP C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033875705 818973079 /nfs/dbraw/zinc/97/30/79/818973079.db2.gz YTPOXNAOADTWED-QLFBSQMISA-N 2 0 293.411 0.262 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168764330 820295005 /nfs/dbraw/zinc/29/50/05/820295005.db2.gz YQVLANHPMSJJOL-ZDUSSCGKSA-N 2 0 298.431 0.115 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326648 820939413 /nfs/dbraw/zinc/93/94/13/820939413.db2.gz LXNREXWSVCEKRH-RBSFLKMASA-N 2 0 295.427 0.720 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369055 820947211 /nfs/dbraw/zinc/94/72/11/820947211.db2.gz WREUDCVQYFVCCW-BFHYXJOUSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082369906 820948500 /nfs/dbraw/zinc/94/85/00/820948500.db2.gz IXVDGYJBGWBDIP-BFHYXJOUSA-N 2 0 281.400 0.330 20 30 CCEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001082859849 821047292 /nfs/dbraw/zinc/04/72/92/821047292.db2.gz JFHWEJSSDYXTEZ-MGPQQGTHSA-N 2 0 265.401 0.951 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083955052 821166882 /nfs/dbraw/zinc/16/68/82/821166882.db2.gz UWSVPFBJNUKGOU-MJBXVCDLSA-N 2 0 281.400 0.066 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001166686644 821289374 /nfs/dbraw/zinc/28/93/74/821289374.db2.gz AFXVSTGYEWVOAX-HNNXBMFYSA-N 2 0 283.391 0.928 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC001273301463 821576737 /nfs/dbraw/zinc/57/67/37/821576737.db2.gz UQJHCGWAQAWKSU-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086087659 822107975 /nfs/dbraw/zinc/10/79/75/822107975.db2.gz JLKBDZCSIZNVAD-CFVMTHIKSA-N 2 0 275.396 0.446 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129531646 837522789 /nfs/dbraw/zinc/52/27/89/837522789.db2.gz DASSQGXOLZULAM-UHFFFAOYSA-N 2 0 269.389 0.379 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230851 837734797 /nfs/dbraw/zinc/73/47/97/837734797.db2.gz YBFQEYGQGQOTHJ-UHFFFAOYSA-N 2 0 283.416 0.627 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231676 837735792 /nfs/dbraw/zinc/73/57/92/837735792.db2.gz BVBRRMHPQZFFKE-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C#CCN1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090436382 836780831 /nfs/dbraw/zinc/78/08/31/836780831.db2.gz QDDDSIPDDJZVEI-GJZGRUSLSA-N 2 0 298.346 0.133 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130709156 837898742 /nfs/dbraw/zinc/89/87/42/837898742.db2.gz VTMFMOHHOLYOSY-AWEZNQCLSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001184709581 844274005 /nfs/dbraw/zinc/27/40/05/844274005.db2.gz AKMUBGNESQOTFL-CYBMUJFWSA-N 2 0 260.341 0.487 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521892 838120383 /nfs/dbraw/zinc/12/03/83/838120383.db2.gz KVDMWFZQTRGBPA-OWYJLGKBSA-N 2 0 279.384 0.132 20 30 CCEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848712 838505990 /nfs/dbraw/zinc/50/59/90/838505990.db2.gz PMBZHDCTXZOGGU-ZDUSSCGKSA-N 2 0 269.389 0.378 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090405 838553587 /nfs/dbraw/zinc/55/35/87/838553587.db2.gz HDDZHQWEPNLBQH-UONOGXRCSA-N 2 0 265.401 0.646 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133831744 838731271 /nfs/dbraw/zinc/73/12/71/838731271.db2.gz UNIBVIIFQQGSQG-NSHDSACASA-N 2 0 259.781 0.929 20 30 CCEDRP C#CC[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133918087 838780592 /nfs/dbraw/zinc/78/05/92/838780592.db2.gz ONFFZSFGRZNGEF-UHFFFAOYSA-N 2 0 273.380 0.500 20 30 CCEDRP C=C(Br)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133982692 838803448 /nfs/dbraw/zinc/80/34/48/838803448.db2.gz IHPPFYIXSAEQAV-JTQLQIEISA-N 2 0 292.221 0.941 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135096023 839159516 /nfs/dbraw/zinc/15/95/16/839159516.db2.gz ZAVKAYTXHDGZLG-GJZGRUSLSA-N 2 0 293.411 0.359 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135316283 839207949 /nfs/dbraw/zinc/20/79/49/839207949.db2.gz SRFMTDBDHOHONC-HUUCEWRRSA-N 2 0 297.443 0.851 20 30 CCEDRP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135377964 839232276 /nfs/dbraw/zinc/23/22/76/839232276.db2.gz FVRXGFUFBCJFHO-OLZOCXBDSA-N 2 0 298.431 0.113 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185491771 844424223 /nfs/dbraw/zinc/42/42/23/844424223.db2.gz JMQDEQLWIKCYGG-CABCVRRESA-N 2 0 295.427 0.272 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185742428 844456290 /nfs/dbraw/zinc/45/62/90/844456290.db2.gz KWPORIASDCJFNQ-HUUCEWRRSA-N 2 0 293.411 0.311 20 30 CCEDRP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146593021 840328576 /nfs/dbraw/zinc/32/85/76/840328576.db2.gz MLMXSOGYUHAULO-HUUCEWRRSA-N 2 0 297.443 0.849 20 30 CCEDRP C=CCCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994825 840731867 /nfs/dbraw/zinc/73/18/67/840731867.db2.gz PYYYCQJBTCSWKI-UHFFFAOYSA-N 2 0 251.374 0.754 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148646525 840862155 /nfs/dbraw/zinc/86/21/55/840862155.db2.gz AHBREOSROLCTQA-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092507892 841028780 /nfs/dbraw/zinc/02/87/80/841028780.db2.gz OJHNVWVSRXSBSB-RBSFLKMASA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 ZINC001036786309 841217902 /nfs/dbraw/zinc/21/79/02/841217902.db2.gz SQTIWKXMHGGCIW-HUUCEWRRSA-N 2 0 286.379 0.829 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCF)CC1 ZINC001176925837 842452384 /nfs/dbraw/zinc/45/23/84/842452384.db2.gz CGWOQQICJHIUJS-UHFFFAOYSA-N 2 0 269.364 0.397 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731172 842912843 /nfs/dbraw/zinc/91/28/43/842912843.db2.gz NRNIJBFFOYYNSF-BARDWOONSA-N 2 0 277.412 0.929 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181652143 843566732 /nfs/dbraw/zinc/56/67/32/843566732.db2.gz JYLMZRHVBKLPGK-KGLIPLIRSA-N 2 0 281.400 0.474 20 30 CCEDRP N#Cc1ccc(OCC(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001182916621 843939192 /nfs/dbraw/zinc/93/91/92/843939192.db2.gz GBQXCRRMXCIHCB-UHFFFAOYSA-N 2 0 289.339 0.398 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229076 843981585 /nfs/dbraw/zinc/98/15/85/843981585.db2.gz BIEGEWIDXCDURK-CQSZACIVSA-N 2 0 295.427 0.864 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106267 844645843 /nfs/dbraw/zinc/64/58/43/844645843.db2.gz DDEOSCZHTOTHMQ-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825244 844789581 /nfs/dbraw/zinc/78/95/81/844789581.db2.gz HDUCHGXTJWIKJY-ZIAGYGMSSA-N 2 0 281.400 0.331 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970817 845012738 /nfs/dbraw/zinc/01/27/38/845012738.db2.gz MIJXWIXAHBRHIZ-LSDHHAIUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189669154 845183782 /nfs/dbraw/zinc/18/37/82/845183782.db2.gz RLFMOMLFNQQNDA-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192355218 845828162 /nfs/dbraw/zinc/82/81/62/845828162.db2.gz PROZHWRHPKEXRW-LSDHHAIUSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194292728 846267871 /nfs/dbraw/zinc/26/78/71/846267871.db2.gz BWKVGHKQWSRIBN-AWEZNQCLSA-N 2 0 265.401 0.883 20 30 CCEDRP CCN(CC[NH2+]CC#CCOC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273710444 846661573 /nfs/dbraw/zinc/66/15/73/846661573.db2.gz VFTQCYYBXDTPTF-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152394025 847038411 /nfs/dbraw/zinc/03/84/11/847038411.db2.gz WYCSTBWYHGAPAX-UHFFFAOYSA-N 2 0 259.353 0.701 20 30 CCEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788275 847433592 /nfs/dbraw/zinc/43/35/92/847433592.db2.gz NVVFRSHXYXZEQN-CQSZACIVSA-N 2 0 263.385 0.685 20 30 CCEDRP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001273909961 847820646 /nfs/dbraw/zinc/82/06/46/847820646.db2.gz CLUYJNBSFPDVMF-OAHLLOKOSA-N 2 0 283.416 0.457 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202059477 847851189 /nfs/dbraw/zinc/85/11/89/847851189.db2.gz PWTVOPBPSNZABY-KGLIPLIRSA-N 2 0 281.400 0.331 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114426538 848056867 /nfs/dbraw/zinc/05/68/67/848056867.db2.gz OQUSNECTMNGXBU-LJIGWXMPSA-N 2 0 289.423 0.931 20 30 CCEDRP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001274571867 848507219 /nfs/dbraw/zinc/50/72/19/848507219.db2.gz GPWRCCDLPASRAI-ZDUSSCGKSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CCC[NH2+]C/C=C\CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001274611051 848521826 /nfs/dbraw/zinc/52/18/26/848521826.db2.gz RHMVALFGXMHFAJ-SREVYHEPSA-N 2 0 287.407 0.617 20 30 CCEDRP CC[C@H](C(=O)NC1CC(C[NH2+]CC#CCOC)C1)[NH+](C)C ZINC001275310624 848688740 /nfs/dbraw/zinc/68/87/40/848688740.db2.gz OCILMYXWPLFDNV-YMAMQOFZSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CCCC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001275978147 848880531 /nfs/dbraw/zinc/88/05/31/848880531.db2.gz KIRQJMUYPRVICA-GJZGRUSLSA-N 2 0 265.401 0.346 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C(C)C)CC1 ZINC001039042019 850135393 /nfs/dbraw/zinc/13/53/93/850135393.db2.gz LEIGOBQVNCZUHH-OAHLLOKOSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213414 852193762 /nfs/dbraw/zinc/19/37/62/852193762.db2.gz PGLJVVYHDNPSOG-MELADBBJSA-N 2 0 263.385 0.514 20 30 CCEDRP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001096538273 852294286 /nfs/dbraw/zinc/29/42/86/852294286.db2.gz DEAIBDWAURDKLW-XGUBFFRZSA-N 2 0 275.396 0.683 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847614 852385289 /nfs/dbraw/zinc/38/52/89/852385289.db2.gz YBPYOHZLUKMEJO-GJZGRUSLSA-N 2 0 287.407 0.781 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001054854249 853025313 /nfs/dbraw/zinc/02/53/13/853025313.db2.gz QXNDSEODQUNBHU-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001054969890 853045566 /nfs/dbraw/zinc/04/55/66/853045566.db2.gz WJMKHTUNXRPLIZ-ZIAGYGMSSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050662520 853410230 /nfs/dbraw/zinc/41/02/30/853410230.db2.gz JKLZMKYPFDPDGH-HNNXBMFYSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001071994292 854332667 /nfs/dbraw/zinc/33/26/67/854332667.db2.gz DVIMTPRPGHERRF-KGLIPLIRSA-N 2 0 275.396 0.685 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039718 855256663 /nfs/dbraw/zinc/25/66/63/855256663.db2.gz ZUILCUURTJUBBF-UHFFFAOYSA-N 2 0 295.427 0.461 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352915 855283999 /nfs/dbraw/zinc/28/39/99/855283999.db2.gz OUPIMTHKTYBUAH-ZBFHGGJFSA-N 2 0 277.412 0.742 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938079 855606956 /nfs/dbraw/zinc/60/69/56/855606956.db2.gz KIHJSFSRNCJNQO-HOCLYGCPSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292785 855658705 /nfs/dbraw/zinc/65/87/05/855658705.db2.gz VIMXIBGLEHEUFG-QLPKVWCKSA-N 2 0 289.423 0.932 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118506853 856321142 /nfs/dbraw/zinc/32/11/42/856321142.db2.gz QTPBLOYMXNEGGR-UHFFFAOYSA-N 2 0 289.423 0.982 20 30 CCEDRP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2CC)C1 ZINC001119304186 856624610 /nfs/dbraw/zinc/62/46/10/856624610.db2.gz IVDSUEGFAGPNKR-UONOGXRCSA-N 2 0 278.400 0.477 20 30 CCEDRP COCC#CCN1CC[C@@H]1CNC(=O)Cn1ccnc1C ZINC001323358052 912292112 /nfs/dbraw/zinc/29/21/12/912292112.db2.gz RAJSOIXASTZDJK-CQSZACIVSA-N 2 0 290.367 0.032 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001323445134 912351611 /nfs/dbraw/zinc/35/16/11/912351611.db2.gz YJWNFUFTDWAJQY-VXGBXAGGSA-N 2 0 251.374 0.751 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001324261303 912745940 /nfs/dbraw/zinc/74/59/40/912745940.db2.gz PNMWZFRFDCUBMU-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001325458263 913415755 /nfs/dbraw/zinc/41/57/55/913415755.db2.gz VWMZDUHACXMUKH-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001325864036 913616634 /nfs/dbraw/zinc/61/66/34/913616634.db2.gz CABUWBGPLFLFED-MRXNPFEDSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480975892 892004663 /nfs/dbraw/zinc/00/46/63/892004663.db2.gz LSGPHEVABAXFOA-CHWSQXEVSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001481016143 892055985 /nfs/dbraw/zinc/05/59/85/892055985.db2.gz CRAUAGGFBLIEMY-CYBMUJFWSA-N 2 0 251.374 0.400 20 30 CCEDRP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481812021 893184797 /nfs/dbraw/zinc/18/47/97/893184797.db2.gz FNCJBEXLAIEMMY-LSDHHAIUSA-N 2 0 277.412 0.836 20 30 CCEDRP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[C@H]1[NH3+] ZINC001326115637 913754613 /nfs/dbraw/zinc/75/46/13/913754613.db2.gz LCQHAZHITVAVNB-IJLUTSLNSA-N 2 0 252.362 0.593 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482141391 893433197 /nfs/dbraw/zinc/43/31/97/893433197.db2.gz CLENOBOJCNVBNO-KGLIPLIRSA-N 2 0 265.401 0.693 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001284515221 893597452 /nfs/dbraw/zinc/59/74/52/893597452.db2.gz BFRLEHQLSHLDHY-LSDHHAIUSA-N 2 0 295.427 0.103 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482366158 893921516 /nfs/dbraw/zinc/92/15/16/893921516.db2.gz OVMPNQPUQARUSU-LSDHHAIUSA-N 2 0 295.427 0.415 20 30 CCEDRP C=CC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168044378 894096884 /nfs/dbraw/zinc/09/68/84/894096884.db2.gz SSXUNKFOTOLMPK-UHFFFAOYSA-N 2 0 279.388 0.340 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001482737645 894555784 /nfs/dbraw/zinc/55/57/84/894555784.db2.gz QVRYJHWRBWJLAJ-ZDUSSCGKSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001482970260 894737595 /nfs/dbraw/zinc/73/75/95/894737595.db2.gz QNQPBXOHFRKHKH-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+]C/C=C/CNC(=O)CCC[NH+](C)C ZINC001483053936 894855598 /nfs/dbraw/zinc/85/55/98/894855598.db2.gz JOAWIWOKSYAYKU-VOTSOKGWSA-N 2 0 251.374 0.614 20 30 CCEDRP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506748396 894889566 /nfs/dbraw/zinc/88/95/66/894889566.db2.gz KKSCCWSZXMDLSO-AWEZNQCLSA-N 2 0 297.443 0.967 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001483339928 895478393 /nfs/dbraw/zinc/47/83/93/895478393.db2.gz VKFZJERUGWWLKL-ZDUSSCGKSA-N 2 0 293.415 0.681 20 30 CCEDRP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383059 895521660 /nfs/dbraw/zinc/52/16/60/895521660.db2.gz DZTZUVQJCSQKOC-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001326508291 913992006 /nfs/dbraw/zinc/99/20/06/913992006.db2.gz RLCOKDBUFPCSBN-RBSFLKMASA-N 2 0 277.412 0.978 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485383439 897013559 /nfs/dbraw/zinc/01/35/59/897013559.db2.gz NDBRPEGMCCWYFP-AWEZNQCLSA-N 2 0 281.400 0.169 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485875719 898482385 /nfs/dbraw/zinc/48/23/85/898482385.db2.gz BICKEEYBOSHBAY-BFHYXJOUSA-N 2 0 265.401 0.786 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001486210365 898713189 /nfs/dbraw/zinc/71/31/89/898713189.db2.gz KODOMWOCZCKNOK-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP COCC#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001490245299 900575546 /nfs/dbraw/zinc/57/55/46/900575546.db2.gz PVZMVJNIKOLLIM-UHFFFAOYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001490475411 900635020 /nfs/dbraw/zinc/63/50/20/900635020.db2.gz UZDBQBMUGPLIPQ-UHFFFAOYSA-N 2 0 282.432 0.248 20 30 CCEDRP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001490778932 900724566 /nfs/dbraw/zinc/72/45/66/900724566.db2.gz YHSSYXVRSGIIDY-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001327575869 914630956 /nfs/dbraw/zinc/63/09/56/914630956.db2.gz DCQMDODRHQQKBW-GDBMZVCRSA-N 2 0 293.411 0.047 20 30 CCEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490945239 903263696 /nfs/dbraw/zinc/26/36/96/903263696.db2.gz BVBWBXVWWBJUDL-JOCQHMNTSA-N 2 0 261.369 0.342 20 30 CCEDRP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001280882986 903973632 /nfs/dbraw/zinc/97/36/32/903973632.db2.gz BLNSRRDFXGIGSI-CYBMUJFWSA-N 2 0 253.390 0.904 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C ZINC001332413966 904112084 /nfs/dbraw/zinc/11/20/84/904112084.db2.gz SCBUIQBHFLOEKL-CQSZACIVSA-N 2 0 295.427 0.415 20 30 CCEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001332536653 904362602 /nfs/dbraw/zinc/36/26/02/904362602.db2.gz JOHYKCHCXVLOQW-CQSZACIVSA-N 2 0 293.411 0.047 20 30 CCEDRP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001282336575 904449277 /nfs/dbraw/zinc/44/92/77/904449277.db2.gz BFRYUKLDBCJKEG-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001282927674 904606970 /nfs/dbraw/zinc/60/69/70/904606970.db2.gz HALVZVXZUHQQLE-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]1C ZINC001283926470 905086774 /nfs/dbraw/zinc/08/67/74/905086774.db2.gz IQBSMOFBRIDEKW-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001284448979 905299211 /nfs/dbraw/zinc/29/92/11/905299211.db2.gz XPNXVCWVXCNSKN-AWEZNQCLSA-N 2 0 297.443 0.397 20 30 CCEDRP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001284478216 905313961 /nfs/dbraw/zinc/31/39/61/905313961.db2.gz UDJCSWDIEOSHGR-ZDUSSCGKSA-N 2 0 271.405 0.312 20 30 CCEDRP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)CC[N@@H+]1C ZINC001337156349 921204453 /nfs/dbraw/zinc/20/44/53/921204453.db2.gz JSHULLFSHBFOCX-GHMKZFAXSA-N 2 0 292.383 0.585 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COCc1ccccc1F ZINC001335968272 907128307 /nfs/dbraw/zinc/12/83/07/907128307.db2.gz AEFRKMUIYXPISH-HNNXBMFYSA-N 2 0 294.370 0.858 20 30 CCEDRP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001492126932 907712770 /nfs/dbraw/zinc/71/27/70/907712770.db2.gz BZLXUIOXMRZTQP-CHWSQXEVSA-N 2 0 253.390 0.999 20 30 CCEDRP C#C[C@@H](CO)[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001308882990 908441311 /nfs/dbraw/zinc/44/13/11/908441311.db2.gz NZPLJFQERNUPCO-NFOMZHRRSA-N 2 0 266.385 0.604 20 30 CCEDRP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001316914487 908841300 /nfs/dbraw/zinc/84/13/00/908841300.db2.gz WCRIDQQXFMASBV-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316936396 908851718 /nfs/dbraw/zinc/85/17/18/908851718.db2.gz WROITQQUQHIJFZ-UHFFFAOYSA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317089630 908973488 /nfs/dbraw/zinc/97/34/88/908973488.db2.gz VFZCZBHOZCLHTE-XYPYZODXSA-N 2 0 259.781 0.927 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317192192 909036680 /nfs/dbraw/zinc/03/66/80/909036680.db2.gz CRILIEUVJKFWMV-GJZGRUSLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001317243965 909084205 /nfs/dbraw/zinc/08/42/05/909084205.db2.gz DHQOSSAFTWKKDX-ZIAGYGMSSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317351869 909154317 /nfs/dbraw/zinc/15/43/17/909154317.db2.gz BNXHKEQBBFSCRN-CHWSQXEVSA-N 2 0 251.374 0.588 20 30 CCEDRP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)N1CC[NH+](C)CC1 ZINC001338468880 921478099 /nfs/dbraw/zinc/47/80/99/921478099.db2.gz ZAGKSCDNYPDZTJ-UONOGXRCSA-N 2 0 263.389 0.655 20 30 CCEDRP C#CCC[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491493 909260981 /nfs/dbraw/zinc/26/09/81/909260981.db2.gz YFLFNZUNRYDTSZ-UHFFFAOYSA-N 2 0 263.385 0.544 20 30 CCEDRP C#CC[N@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001317488243 909261867 /nfs/dbraw/zinc/26/18/67/909261867.db2.gz DOYXDLPTFABRGP-UHFFFAOYSA-N 2 0 281.400 0.169 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001338488344 921483566 /nfs/dbraw/zinc/48/35/66/921483566.db2.gz LHHRMRGTWARASB-OAHLLOKOSA-N 2 0 264.344 0.884 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001318168996 909649774 /nfs/dbraw/zinc/64/97/74/909649774.db2.gz MCPKQXPQOIPQFN-UHFFFAOYSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001320184874 910498800 /nfs/dbraw/zinc/49/88/00/910498800.db2.gz QKTPBUXQRZBEMI-ZIAGYGMSSA-N 2 0 263.385 0.590 20 30 CCEDRP C=C(C)C[NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001321308144 911225484 /nfs/dbraw/zinc/22/54/84/911225484.db2.gz SRTCIHMLHKJCPY-SNAWJCMRSA-N 2 0 295.427 0.935 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001322238415 911722852 /nfs/dbraw/zinc/72/28/52/911722852.db2.gz UORQGVTYJDPMLO-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+](C)C ZINC001322353899 911773593 /nfs/dbraw/zinc/77/35/93/911773593.db2.gz IZAMMQVPSYPTGM-KGLIPLIRSA-N 2 0 265.401 0.836 20 30 CCEDRP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001330425842 916624938 /nfs/dbraw/zinc/62/49/38/916624938.db2.gz GFLZUPDIUIVSJD-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)Cn1cncc1C ZINC001331505258 917378883 /nfs/dbraw/zinc/37/88/83/917378883.db2.gz UXCYVIJGWWLACR-LLVKDONJSA-N 2 0 250.346 0.814 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331741001 917566507 /nfs/dbraw/zinc/56/65/07/917566507.db2.gz SHWFJANJBMASAW-ZDUSSCGKSA-N 2 0 297.443 0.892 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001331842655 917657683 /nfs/dbraw/zinc/65/76/83/917657683.db2.gz QMWMYIRYTPCONB-STQMWFEESA-N 2 0 269.389 0.114 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001331916195 917712727 /nfs/dbraw/zinc/71/27/27/917712727.db2.gz DVQJBXOPDBFRGX-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC001335383017 920161733 /nfs/dbraw/zinc/16/17/33/920161733.db2.gz STOPVKQEVKAYRG-HZPDHXFCSA-N 2 0 276.380 0.626 20 30 CCEDRP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C#CC1CC[NH2+]CC1 ZINC001341590755 922571841 /nfs/dbraw/zinc/57/18/41/922571841.db2.gz HVBFPZTZGAUSDT-ZFWWWQNUSA-N 2 0 261.369 0.329 20 30 CCEDRP C#CCN(CC(=O)NC1CC[NH+](C)CC1)CC1CC1 ZINC001352890373 925665402 /nfs/dbraw/zinc/66/54/02/925665402.db2.gz RKTZGFBQLNPEIR-UHFFFAOYSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC001356623026 926411586 /nfs/dbraw/zinc/41/15/86/926411586.db2.gz WUNXWFRNZJDNCJ-AWEZNQCLSA-N 2 0 296.415 0.267 20 30 CCEDRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000601976483 362447311 /nfs/dbraw/zinc/44/73/11/362447311.db2.gz QWTLHUSZXYMPII-NEPJUHHUSA-N 2 0 266.389 0.902 20 30 CCEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958911 348500757 /nfs/dbraw/zinc/50/07/57/348500757.db2.gz YKNKRKWUMWKDCO-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP COc1cc(CN2CCN(C)C[C@H]2C[NH3+])ccc1C#N ZINC000300205812 354060260 /nfs/dbraw/zinc/06/02/60/354060260.db2.gz NBLYBYOXXBOHDE-CQSZACIVSA-N 2 0 274.368 0.642 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1cnccc1OC ZINC000297243213 200123551 /nfs/dbraw/zinc/12/35/51/200123551.db2.gz XSMYGYRVTGGIDF-UHFFFAOYSA-N 2 0 290.367 0.845 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655916188 412691783 /nfs/dbraw/zinc/69/17/83/412691783.db2.gz SQLSIUFQOIZOGO-SNVBAGLBSA-N 2 0 294.321 0.826 20 30 CCEDRP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[NH2+]C1 ZINC000594425552 360299813 /nfs/dbraw/zinc/29/98/13/360299813.db2.gz KXDXXMMJWLNKBL-XQQFMLRXSA-N 2 0 266.389 0.902 20 30 CCEDRP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594424450 360300246 /nfs/dbraw/zinc/30/02/46/360300246.db2.gz DSIGADCFQOKYJW-YPMHNXCESA-N 2 0 254.378 0.887 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)C[C@@H](C)[NH2+]1 ZINC000594426670 360301168 /nfs/dbraw/zinc/30/11/68/360301168.db2.gz QRQDWGJRCLGNQF-IJLUTSLNSA-N 2 0 252.362 0.606 20 30 CCEDRP CC[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CC1 ZINC000594435901 360304646 /nfs/dbraw/zinc/30/46/46/360304646.db2.gz AVPLTTCASJMPOB-CYBMUJFWSA-N 2 0 266.389 0.998 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1(C[NH3+])CCC1 ZINC000594435166 360304908 /nfs/dbraw/zinc/30/49/08/360304908.db2.gz BSUXPKZGRFUWRX-NSHDSACASA-N 2 0 252.362 0.737 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000594443944 360311303 /nfs/dbraw/zinc/31/13/03/360311303.db2.gz KFLOJCLRWZHBHI-ZFWWWQNUSA-N 2 0 278.400 1.000 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638102964 374668406 /nfs/dbraw/zinc/66/84/06/374668406.db2.gz XRDAVNIFTNOAPF-UKRRQHHQSA-N 2 0 281.400 0.520 20 30 CCEDRP C=CCNC(=O)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746841 388854097 /nfs/dbraw/zinc/85/40/97/388854097.db2.gz GOBMTXUKWFYSSP-FOSCPWQOSA-N 2 0 280.372 0.213 20 30 CCEDRP CC(C)CNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303896246 389081218 /nfs/dbraw/zinc/08/12/18/389081218.db2.gz UIVPDGAJTHYSIV-UHFFFAOYSA-N 2 0 255.410 0.184 20 30 CCEDRP CNC(=O)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000330441144 389229588 /nfs/dbraw/zinc/22/95/88/389229588.db2.gz SCXINZAVWBNGHI-UHFFFAOYSA-N 2 0 270.377 0.310 20 30 CCEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH3+])CC1 ZINC000417537357 389827945 /nfs/dbraw/zinc/82/79/45/389827945.db2.gz LNTVCYLRXQEVEO-GFCCVEGCSA-N 2 0 268.405 0.921 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491566182 390114968 /nfs/dbraw/zinc/11/49/68/390114968.db2.gz DZOQELQMBVTNKO-CHWSQXEVSA-N 2 0 266.389 0.239 20 30 CCEDRP C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000647799519 390175927 /nfs/dbraw/zinc/17/59/27/390175927.db2.gz IMLMEOMBHYPDKJ-JHJVBQTASA-N 2 0 261.373 0.942 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH2+]CC)CC1 ZINC000562798594 390490259 /nfs/dbraw/zinc/49/02/59/390490259.db2.gz MGNOQVJZFHBLGF-UHFFFAOYSA-N 2 0 268.405 0.936 20 30 CCEDRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000562987877 390492265 /nfs/dbraw/zinc/49/22/65/390492265.db2.gz UJNHEBGSSOABJM-OAHLLOKOSA-N 2 0 282.432 0.514 20 30 CCEDRP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)CN1CC[NH+](C)CC1 ZINC000190952652 130165144 /nfs/dbraw/zinc/16/51/44/130165144.db2.gz QJVQYDKJADEMMZ-AWEZNQCLSA-N 2 0 289.427 0.870 20 30 CCEDRP C=CC[C@]1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC[NH2+]1 ZINC000662402605 414714822 /nfs/dbraw/zinc/71/48/22/414714822.db2.gz LLWUJVFLRSIOJU-TZMCWYRMSA-N 2 0 251.374 0.943 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC[C@H]([NH2+]C)C2)CCC[NH2+]1 ZINC000662407110 414715357 /nfs/dbraw/zinc/71/53/57/414715357.db2.gz SKFSBLYEGFBBHI-GXTWGEPZSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@]1(C(=O)N2CCC([NH2+]C)CC2)CCC[NH2+]1 ZINC000662416111 414716144 /nfs/dbraw/zinc/71/61/44/414716144.db2.gz TVVMLYNIYJRHKO-CQSZACIVSA-N 2 0 251.374 0.895 20 30 CCEDRP C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CCC[NH2+]1 ZINC000662721178 414746120 /nfs/dbraw/zinc/74/61/20/414746120.db2.gz KVBQQUVHXKWRHX-ZFWWWQNUSA-N 2 0 281.400 0.522 20 30 CCEDRP C=CC[C@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CCC[NH2+]1 ZINC000662730031 414747386 /nfs/dbraw/zinc/74/73/86/414747386.db2.gz ZAMNEIKMDDUKNL-MRXNPFEDSA-N 2 0 295.427 0.912 20 30 CCEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000104172468 227926242 /nfs/dbraw/zinc/92/62/42/227926242.db2.gz KOTKZRDSSXNTTO-LLVKDONJSA-N 2 0 252.362 0.118 20 30 CCEDRP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CC[N@H+](C)C1 ZINC000157255086 261143181 /nfs/dbraw/zinc/14/31/81/261143181.db2.gz SYGBNQPVTHDIKH-LBPRGKRZSA-N 2 0 279.388 0.908 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000490574914 261163805 /nfs/dbraw/zinc/16/38/05/261163805.db2.gz FNBANHGXYXXGIR-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C=CCNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357091724 266245831 /nfs/dbraw/zinc/24/58/31/266245831.db2.gz WLHZWJSMXALLKU-CYBMUJFWSA-N 2 0 251.374 0.610 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000572631642 327547445 /nfs/dbraw/zinc/54/74/45/327547445.db2.gz AQQNGPQWGFLWGO-HNNXBMFYSA-N 2 0 287.367 0.630 20 30 CCEDRP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CCC(O)CC1 ZINC000262746939 330029214 /nfs/dbraw/zinc/02/92/14/330029214.db2.gz APAWQWCIEBCVOK-UHFFFAOYSA-N 2 0 298.431 0.129 20 30 CCEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H](C)CC ZINC000262764638 330029956 /nfs/dbraw/zinc/02/99/56/330029956.db2.gz KIQMLDAWLXALCY-QWHCGFSZSA-N 2 0 267.421 0.340 20 30 CCEDRP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1C[NH3+] ZINC000424078452 330221318 /nfs/dbraw/zinc/22/13/18/330221318.db2.gz PXGDOZXMYHDZMD-IJLUTSLNSA-N 2 0 252.362 0.593 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000424134814 330268028 /nfs/dbraw/zinc/26/80/28/330268028.db2.gz NXNUKAYJURQVDT-AVGNSLFASA-N 2 0 264.373 0.751 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000424162474 330307366 /nfs/dbraw/zinc/30/73/66/330307366.db2.gz SSANNIOLUABKQI-GRYCIOLGSA-N 2 0 250.346 0.360 20 30 CCEDRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424174594 330314426 /nfs/dbraw/zinc/31/44/26/330314426.db2.gz MTJVRJXBXWTBHJ-NWDGAFQWSA-N 2 0 266.389 0.902 20 30 CCEDRP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424174595 330314501 /nfs/dbraw/zinc/31/45/01/330314501.db2.gz MTJVRJXBXWTBHJ-RYUDHWBXSA-N 2 0 266.389 0.902 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424194877 330324573 /nfs/dbraw/zinc/32/45/73/330324573.db2.gz MESUCQNMGBQURI-STQMWFEESA-N 2 0 272.352 0.924 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424197196 330325564 /nfs/dbraw/zinc/32/55/64/330325564.db2.gz WJNBQJCYTKCUCG-MCIONIFRSA-N 2 0 278.400 0.856 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000424197193 330325639 /nfs/dbraw/zinc/32/56/39/330325639.db2.gz WJNBQJCYTKCUCG-IHRRRGAJSA-N 2 0 278.400 0.856 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000107888927 330351556 /nfs/dbraw/zinc/35/15/56/330351556.db2.gz GZZRIDLCOPRUEB-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C#CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000080565252 330365083 /nfs/dbraw/zinc/36/50/83/330365083.db2.gz UEHIPLNEFRAETC-CQSZACIVSA-N 2 0 280.416 0.677 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000490912860 332128097 /nfs/dbraw/zinc/12/80/97/332128097.db2.gz BCQVVWJKKTXEMG-KBPBESRZSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000490912863 332128124 /nfs/dbraw/zinc/12/81/24/332128124.db2.gz BCQVVWJKKTXEMG-UONOGXRCSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000491464793 332216994 /nfs/dbraw/zinc/21/69/94/332216994.db2.gz TXEYBEQZAIEAJY-UONOGXRCSA-N 2 0 280.416 0.758 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000491622085 332247073 /nfs/dbraw/zinc/24/70/73/332247073.db2.gz DUEOIPUHBPWBGU-UHFFFAOYSA-N 2 0 280.416 0.727 20 30 CCEDRP C#CCN(C)CCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000385496346 336149192 /nfs/dbraw/zinc/14/91/92/336149192.db2.gz JIWQFCPSKLDQJG-AWEZNQCLSA-N 2 0 253.390 0.252 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NCCn1ccnc1C ZINC000730281626 581691665 /nfs/dbraw/zinc/69/16/65/581691665.db2.gz OZUGJSLFHDDZGQ-ZDUSSCGKSA-N 2 0 260.341 0.405 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000764608859 582058446 /nfs/dbraw/zinc/05/84/46/582058446.db2.gz QKBLUKLGCYDQRD-VXGBXAGGSA-N 2 0 251.374 0.846 20 30 CCEDRP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877107586 617174831 /nfs/dbraw/zinc/17/48/31/617174831.db2.gz JLPCPQDXBKIEMK-QMTHXVAHSA-N 2 0 272.352 0.551 20 30 CCEDRP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000981958168 613004268 /nfs/dbraw/zinc/00/42/68/613004268.db2.gz BPXAHHUAUYGUDS-LSDHHAIUSA-N 2 0 277.412 0.742 20 30 CCEDRP C#CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000886365820 613046991 /nfs/dbraw/zinc/04/69/91/613046991.db2.gz QDUDRSVOSMOIMP-CYBMUJFWSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852360392 613073231 /nfs/dbraw/zinc/07/32/31/613073231.db2.gz XXWRGGPQXDERTA-UHFFFAOYSA-N 2 0 266.389 0.145 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891921783 613073631 /nfs/dbraw/zinc/07/36/31/613073631.db2.gz VURUYPZVXWLILU-KGLIPLIRSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861633958 613076436 /nfs/dbraw/zinc/07/64/36/613076436.db2.gz ALTUWLXUIFOMGI-QWHCGFSZSA-N 2 0 266.389 0.381 20 30 CCEDRP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCOCC1 ZINC000887122418 612970779 /nfs/dbraw/zinc/97/07/79/612970779.db2.gz XKTYGQJHNUYYBV-AWEZNQCLSA-N 2 0 268.401 0.850 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000828472720 612998747 /nfs/dbraw/zinc/99/87/47/612998747.db2.gz MCCLFPAUPLBQEH-UHFFFAOYSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000820193415 612998934 /nfs/dbraw/zinc/99/89/34/612998934.db2.gz XWHXEOXHQAMDNX-GFCCVEGCSA-N 2 0 251.374 0.540 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960766698 613042921 /nfs/dbraw/zinc/04/29/21/613042921.db2.gz CGWHCUOURMUAEZ-FICVDOATSA-N 2 0 287.407 0.685 20 30 CCEDRP C#CCN(C(=O)NCC1([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000922980678 613066674 /nfs/dbraw/zinc/06/66/74/613066674.db2.gz GDSSUEPIXSKLOJ-UHFFFAOYSA-N 2 0 292.427 0.820 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000841909434 613073601 /nfs/dbraw/zinc/07/36/01/613073601.db2.gz GGVJASOCMQZXGR-UHFFFAOYSA-N 2 0 266.389 0.464 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000895057110 613074416 /nfs/dbraw/zinc/07/44/16/613074416.db2.gz RRJJGVQXSJWFSP-KBPBESRZSA-N 2 0 278.400 0.287 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000922630283 613076895 /nfs/dbraw/zinc/07/68/95/613076895.db2.gz OYRLISPIBVMYSA-STQMWFEESA-N 2 0 266.389 0.333 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925357639 613134939 /nfs/dbraw/zinc/13/49/39/613134939.db2.gz WUUCTYOCZMLXRK-TZMCWYRMSA-N 2 0 278.400 0.476 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000914316090 613135263 /nfs/dbraw/zinc/13/52/63/613135263.db2.gz JABNUOVSVNIRDF-HNNXBMFYSA-N 2 0 292.427 0.868 20 30 CCEDRP C[NH+]=C(NCCNc1cc[nH+]cc1)NCc1ccco1 ZINC000848995388 613220052 /nfs/dbraw/zinc/22/00/52/613220052.db2.gz QBZSSDNVQPDVIW-UHFFFAOYSA-N 2 0 273.340 0.874 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC000980192477 613306706 /nfs/dbraw/zinc/30/67/06/613306706.db2.gz NEOMRLNTHOWNAV-MJBXVCDLSA-N 2 0 286.379 0.802 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000908345778 613364406 /nfs/dbraw/zinc/36/44/06/613364406.db2.gz DNCVTBZACAXGMT-QWHCGFSZSA-N 2 0 251.374 0.657 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000909034011 613364506 /nfs/dbraw/zinc/36/45/06/613364506.db2.gz STGFMGBLMFHPAO-OKILXGFUSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCCN(C)CCC[NH+](C)C ZINC000855414587 613366437 /nfs/dbraw/zinc/36/64/37/613366437.db2.gz IJLKYXOKQMCJAU-UHFFFAOYSA-N 2 0 270.421 0.104 20 30 CCEDRP C=C(Cl)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000852743222 613374482 /nfs/dbraw/zinc/37/44/82/613374482.db2.gz BQNXWPHDPBZKGC-LBPRGKRZSA-N 2 0 271.792 0.883 20 30 CCEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000970712787 613385397 /nfs/dbraw/zinc/38/53/97/613385397.db2.gz SBRPAGRMNRAUHC-NWDGAFQWSA-N 2 0 271.792 0.881 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000876776502 613388088 /nfs/dbraw/zinc/38/80/88/613388088.db2.gz OLUPNYOMSNYODP-VXGBXAGGSA-N 2 0 291.823 0.929 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000876871208 613388301 /nfs/dbraw/zinc/38/83/01/613388301.db2.gz RNMKNVLXGHPFFS-RNFRBKRXSA-N 2 0 273.686 0.852 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000876776501 613390082 /nfs/dbraw/zinc/39/00/82/613390082.db2.gz OLUPNYOMSNYODP-RYUDHWBXSA-N 2 0 291.823 0.929 20 30 CCEDRP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000961664735 613562801 /nfs/dbraw/zinc/56/28/01/613562801.db2.gz RGXHZPQUKKQECP-FICVDOATSA-N 2 0 277.412 0.951 20 30 CCEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000977604347 613621987 /nfs/dbraw/zinc/62/19/87/613621987.db2.gz VVSWVXAURXTEJQ-KBPBESRZSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962296522 613632811 /nfs/dbraw/zinc/63/28/11/613632811.db2.gz IGDJKOLFDHAWET-WDNDVIMCSA-N 2 0 273.380 0.152 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962560394 613633286 /nfs/dbraw/zinc/63/32/86/613633286.db2.gz AFJSTQHPYWGBCZ-NHAGDIPZSA-N 2 0 261.369 0.152 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900598513 613675492 /nfs/dbraw/zinc/67/54/92/613675492.db2.gz HOZHNUQGLBOMCA-DZGCQCFKSA-N 2 0 281.400 0.208 20 30 CCEDRP C=CCN1CC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931480988 613739066 /nfs/dbraw/zinc/73/90/66/613739066.db2.gz AXMBMJRWOXUWHU-CYBMUJFWSA-N 2 0 281.400 0.162 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453100 613853322 /nfs/dbraw/zinc/85/33/22/613853322.db2.gz JOQZITMVISNUMU-CHWSQXEVSA-N 2 0 281.400 0.507 20 30 CCEDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524885 614668741 /nfs/dbraw/zinc/66/87/41/614668741.db2.gz AMDORAZYBMNBPE-AWEZNQCLSA-N 2 0 265.401 0.790 20 30 CCEDRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000884364375 614852573 /nfs/dbraw/zinc/85/25/73/614852573.db2.gz QVDUXLBQSBDOIU-ILXRZTDVSA-N 2 0 298.390 0.987 20 30 CCEDRP CC[NH2+][C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884275094 615128761 /nfs/dbraw/zinc/12/87/61/615128761.db2.gz CYEXVSJSSNUQHE-JJMZSNKZSA-N 2 0 264.373 0.240 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884176320 615145638 /nfs/dbraw/zinc/14/56/38/615145638.db2.gz CENYDMQELWYASJ-IQXANGCESA-N 2 0 290.411 0.726 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000104174666 615158828 /nfs/dbraw/zinc/15/88/28/615158828.db2.gz VQDUIHXTJBYAPV-AWEZNQCLSA-N 2 0 283.464 0.917 20 30 CCEDRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852872998 615403744 /nfs/dbraw/zinc/40/37/44/615403744.db2.gz UVYDGXLJSUKFAY-HNNXBMFYSA-N 2 0 295.427 0.462 20 30 CCEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC([NH3+])C1 ZINC000884298531 615799205 /nfs/dbraw/zinc/79/92/05/615799205.db2.gz VJEYTFBVYFHGCK-CCVBRQKOSA-N 2 0 262.357 0.074 20 30 CCEDRP C[NH+](C)CCCNC(=S)NN=C1C[N@@H+]2C[C@@H]1CCC2 ZINC000863092882 615882985 /nfs/dbraw/zinc/88/29/85/615882985.db2.gz OFRMHZDWSKLTHD-NSHDSACASA-N 2 0 283.445 0.484 20 30 CCEDRP C[NH+](C)[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852865108 615975330 /nfs/dbraw/zinc/97/53/30/615975330.db2.gz RRJUVOPWACRMBX-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)NCCC#N)CC2 ZINC000879248563 616176553 /nfs/dbraw/zinc/17/65/53/616176553.db2.gz POUKSOXBBOOUPT-UHFFFAOYSA-N 2 0 278.400 0.824 20 30 CCEDRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834504436 616181057 /nfs/dbraw/zinc/18/10/57/616181057.db2.gz BBHQWGNCGHWGCK-UPJWGTAASA-N 2 0 264.373 0.479 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001020235786 625293747 /nfs/dbraw/zinc/29/37/47/625293747.db2.gz DNRKVCSKNNNQFC-RBSFLKMASA-N 2 0 277.412 0.834 20 30 CCEDRP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026046128 625325452 /nfs/dbraw/zinc/32/54/52/625325452.db2.gz VYSUIYYJMKBJNI-SEBNEYGDSA-N 2 0 277.412 0.807 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001022983768 622877049 /nfs/dbraw/zinc/87/70/49/622877049.db2.gz SQWFUQZJBLJCMS-TXEJJXNPSA-N 2 0 272.352 0.631 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981561 622877055 /nfs/dbraw/zinc/87/70/55/622877055.db2.gz UXCHDDZABAEQQU-BETUJISGSA-N 2 0 263.385 0.895 20 30 CCEDRP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001023744203 623126135 /nfs/dbraw/zinc/12/61/35/623126135.db2.gz KNWHZJYJPWLECB-KGLIPLIRSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024441270 623324563 /nfs/dbraw/zinc/32/45/63/623324563.db2.gz CHMAPWRTLCZVQX-JKSUJKDBSA-N 2 0 289.423 0.932 20 30 CCEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001020507169 624499185 /nfs/dbraw/zinc/49/91/85/624499185.db2.gz LXLVRZSAOOGXNJ-KKUMJFAQSA-N 2 0 295.427 0.909 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001020720930 624586474 /nfs/dbraw/zinc/58/64/74/624586474.db2.gz GZTSTCXVFXRTMH-KBUPBQIOSA-N 2 0 275.396 0.873 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303976754 624808016 /nfs/dbraw/zinc/80/80/16/624808016.db2.gz KNVSCUWENXBLDV-WDEREUQCSA-N 2 0 270.377 0.184 20 30 CCEDRP C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261976675 624950402 /nfs/dbraw/zinc/95/04/02/624950402.db2.gz NVNRPOJNKYTSKK-JOYOIKCWSA-N 2 0 292.387 0.526 20 30 CCEDRP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001027576660 630768580 /nfs/dbraw/zinc/76/85/80/630768580.db2.gz TWJFNLNOWBLYAR-GJZGRUSLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N(C)C[C@@H]2CCOC2)C1 ZINC000261696305 631503139 /nfs/dbraw/zinc/50/31/39/631503139.db2.gz SKXPJJIKNLUOPT-KGLIPLIRSA-N 2 0 282.432 0.872 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)NC[C@@H]1CCCS1 ZINC000261998359 631747161 /nfs/dbraw/zinc/74/71/61/631747161.db2.gz SWYUQKMWZWRDAI-RYUDHWBXSA-N 2 0 270.446 0.999 20 30 CCEDRP C=CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC000987282936 632855956 /nfs/dbraw/zinc/85/59/56/632855956.db2.gz YWWYOVBRZXQSKR-UKRRQHHQSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C)CC2)C1 ZINC000989388691 633206587 /nfs/dbraw/zinc/20/65/87/633206587.db2.gz GLARCJDVURRHGZ-OCCSQVGLSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cnc2C)C1 ZINC000989727885 633349858 /nfs/dbraw/zinc/34/98/58/633349858.db2.gz WUDVVBJNVJNLTH-ZYHUDNBSSA-N 2 0 260.341 0.473 20 30 CCEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000990569458 633555234 /nfs/dbraw/zinc/55/52/34/633555234.db2.gz DZLXVHAGSSKKKN-ZDUSSCGKSA-N 2 0 267.373 0.084 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000996686435 638828969 /nfs/dbraw/zinc/82/89/69/638828969.db2.gz UAJYMKPJXCCYTN-HIFRSBDPSA-N 2 0 293.411 0.045 20 30 CCEDRP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001014507665 650457817 /nfs/dbraw/zinc/45/78/17/650457817.db2.gz KIGWLCAOLWITOQ-SOUVJXGZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001000688570 639152433 /nfs/dbraw/zinc/15/24/33/639152433.db2.gz KRWRPNXWJQJRAP-KGLIPLIRSA-N 2 0 263.385 0.542 20 30 CCEDRP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636877 639582797 /nfs/dbraw/zinc/58/27/97/639582797.db2.gz XZUMWDBFGPLYGU-ZFWWWQNUSA-N 2 0 277.412 0.788 20 30 CCEDRP C[C@H](C#N)OCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000801936242 640678872 /nfs/dbraw/zinc/67/88/72/640678872.db2.gz QZGXYKKJSVUURY-CQSZACIVSA-N 2 0 268.405 0.484 20 30 CCEDRP C[C@H]1CNC(NN=C2CC[NH+](CC(C)(C)O)CC2)=[NH+]1 ZINC000814225048 641061468 /nfs/dbraw/zinc/06/14/68/641061468.db2.gz CRGTXLMEQATPAS-JTQLQIEISA-N 2 0 267.377 0.146 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001016003616 650673464 /nfs/dbraw/zinc/67/34/64/650673464.db2.gz LROWZVZSNWNWEF-ZDUSSCGKSA-N 2 0 261.369 0.296 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000852874572 644036368 /nfs/dbraw/zinc/03/63/68/644036368.db2.gz RJUNZRKPFMFUDA-JKSUJKDBSA-N 2 0 289.423 0.980 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000852880938 644039923 /nfs/dbraw/zinc/03/99/23/644039923.db2.gz GMKBBBUTQRYIBF-ZDUSSCGKSA-N 2 0 261.369 0.248 20 30 CCEDRP C[C@@H]1CC2(CN1C(=O)C#CC1CC[NH2+]CC1)CC[NH2+]CC2 ZINC000852892284 644045938 /nfs/dbraw/zinc/04/59/38/644045938.db2.gz CUNMYQBGAVROON-CQSZACIVSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001019812399 651007918 /nfs/dbraw/zinc/00/79/18/651007918.db2.gz MYOAZHGILJTINL-AWEZNQCLSA-N 2 0 263.385 0.686 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876504786 646612957 /nfs/dbraw/zinc/61/29/57/646612957.db2.gz WWNSJUGBPHEYEL-OCCSQVGLSA-N 2 0 270.336 0.305 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000876529404 646620479 /nfs/dbraw/zinc/62/04/79/646620479.db2.gz IBBVKKRLLLOMNZ-IAQYHMDHSA-N 2 0 284.363 0.565 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242489 646764909 /nfs/dbraw/zinc/76/49/09/646764909.db2.gz QTGWBWJLIOLMGF-OSAQELSMSA-N 2 0 284.363 0.599 20 30 CCEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@H]3CCC[C@@H](C1)[NH2+]3)C2 ZINC000884267944 647688659 /nfs/dbraw/zinc/68/86/59/647688659.db2.gz RKZWFEMAYQZTAD-WBDXWENLSA-N 2 0 288.395 0.479 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884287012 647695588 /nfs/dbraw/zinc/69/55/88/647695588.db2.gz QTSAERIXRDVEBO-NJFGSLNASA-N 2 0 290.411 0.628 20 30 CCEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522527 649601746 /nfs/dbraw/zinc/60/17/46/649601746.db2.gz GGZOBFBTXOVYOX-OLZOCXBDSA-N 2 0 268.405 0.802 20 30 CCEDRP CCN(CC)C(=[NH2+])NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000303781431 649824951 /nfs/dbraw/zinc/82/49/51/649824951.db2.gz MFLKAMHJGZGRSF-CYBMUJFWSA-N 2 0 270.421 1.000 20 30 CCEDRP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCC(O)CC1 ZINC000303876165 649825926 /nfs/dbraw/zinc/82/59/26/649825926.db2.gz DSRZMPJLRAADCL-UHFFFAOYSA-N 2 0 256.394 0.536 20 30 CCEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303897943 649826529 /nfs/dbraw/zinc/82/65/29/649826529.db2.gz QWKCUKHDLQGOSF-CHWSQXEVSA-N 2 0 268.405 0.754 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304757115 649838396 /nfs/dbraw/zinc/83/83/96/649838396.db2.gz OJSJPLWOELQKRB-KBPBESRZSA-N 2 0 298.431 0.571 20 30 CCEDRP C#CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001266489039 790781456 /nfs/dbraw/zinc/78/14/56/790781456.db2.gz VVDZKTFJPGXGFI-ZDUSSCGKSA-N 2 0 251.374 0.542 20 30 CCEDRP CN(C)/C=N/c1ccc(-n2cnc(CN)cc2=N)cc1C#N ZINC001167359593 790968336 /nfs/dbraw/zinc/96/83/36/790968336.db2.gz PVXJDIXVKBXFOY-VZJNHYAFSA-N 2 0 295.350 0.904 20 30 CCEDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203203264 791119330 /nfs/dbraw/zinc/11/93/30/791119330.db2.gz JRARPWCNHIDAFN-UHFFFAOYSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065299 791493424 /nfs/dbraw/zinc/49/34/24/791493424.db2.gz SADHZYORMUABMJ-ZDUSSCGKSA-N 2 0 263.385 0.706 20 30 CCEDRP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277822921 806163160 /nfs/dbraw/zinc/16/31/60/806163160.db2.gz HONDSOZQLFNXPO-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C=CCC[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001278092889 806660051 /nfs/dbraw/zinc/66/00/51/806660051.db2.gz DUFJJBSHWIZUTP-LBPRGKRZSA-N 2 0 269.389 0.114 20 30 CCEDRP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177966 799162046 /nfs/dbraw/zinc/16/20/46/799162046.db2.gz PGEOZTQAJSCJFF-HOUHCIJLSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001278201705 806770604 /nfs/dbraw/zinc/77/06/04/806770604.db2.gz JICWPPCWCASNFE-UONOGXRCSA-N 2 0 283.416 0.360 20 30 CCEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150620920 800353549 /nfs/dbraw/zinc/35/35/49/800353549.db2.gz YXYADMYZNUJHTM-AWEZNQCLSA-N 2 0 283.416 0.721 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H](C)F)CC1 ZINC001152323725 800509233 /nfs/dbraw/zinc/50/92/33/800509233.db2.gz COULMZXWMMQVIL-CYBMUJFWSA-N 2 0 283.391 0.786 20 30 CCEDRP N#CCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157720666 801462373 /nfs/dbraw/zinc/46/23/73/801462373.db2.gz NVIOFZZQZFNLPZ-AWEZNQCLSA-N 2 0 289.383 0.780 20 30 CCEDRP C=C(C)CN(CC)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160688376 802002057 /nfs/dbraw/zinc/00/20/57/802002057.db2.gz OOLIHUKRTQHKLT-TZMCWYRMSA-N 2 0 251.374 0.610 20 30 CCEDRP CCCCN(CC#N)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160732067 802011448 /nfs/dbraw/zinc/01/14/48/802011448.db2.gz ZVLFXWAXMOGSNZ-WZRBSPASSA-N 2 0 250.346 0.360 20 30 CCEDRP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1C#N)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220003 802110228 /nfs/dbraw/zinc/11/02/28/802110228.db2.gz VJLXCCSWLAYZEQ-LJISPDSOSA-N 2 0 284.363 0.104 20 30 CCEDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001161530273 802171401 /nfs/dbraw/zinc/17/14/01/802171401.db2.gz UHEFSEGIJNKCAJ-SWHYSGLUSA-N 2 0 272.352 0.376 20 30 CCEDRP Cc1ncc(C#N)c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162290418 802301250 /nfs/dbraw/zinc/30/12/50/802301250.db2.gz SQMCONLVXZPPDX-UHFFFAOYSA-N 2 0 262.361 0.209 20 30 CCEDRP C=CC(NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)=[NH+]COC ZINC001163278916 802527179 /nfs/dbraw/zinc/52/71/79/802527179.db2.gz LHFVCYOOHQPBEN-TZMCWYRMSA-N 2 0 267.373 0.923 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536285 802758184 /nfs/dbraw/zinc/75/81/84/802758184.db2.gz PIWWSEBBUNXXRX-CQSZACIVSA-N 2 0 281.400 0.215 20 30 CCEDRP C=C[C@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220571666 811738165 /nfs/dbraw/zinc/73/81/65/811738165.db2.gz WYFZUXLBEQUEBY-COPLHBTASA-N 2 0 283.372 0.067 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267748599 811739875 /nfs/dbraw/zinc/73/98/75/811739875.db2.gz AKJWGYPZHLYGQV-ZIAGYGMSSA-N 2 0 265.401 0.786 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206273878 803221462 /nfs/dbraw/zinc/22/14/62/803221462.db2.gz CCEXQTJXVNLXHB-AWEZNQCLSA-N 2 0 277.412 0.790 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](OC)C1 ZINC001213671503 803699395 /nfs/dbraw/zinc/69/93/95/803699395.db2.gz KETCRSQZKMOEAD-ZIAGYGMSSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753361 803702727 /nfs/dbraw/zinc/70/27/27/803702727.db2.gz FNJYIYBQABTSLC-HUUCEWRRSA-N 2 0 295.427 0.557 20 30 CCEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001276705573 803704832 /nfs/dbraw/zinc/70/48/32/803704832.db2.gz ZBAHGTXOQIGHQJ-STQMWFEESA-N 2 0 251.374 0.609 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855847 803761770 /nfs/dbraw/zinc/76/17/70/803761770.db2.gz PKSPOBXDRPNCJP-BPLDGKMQSA-N 2 0 277.412 0.786 20 30 CCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218542834 803996562 /nfs/dbraw/zinc/99/65/62/803996562.db2.gz OPKKTSGCOKQKQL-LLVKDONJSA-N 2 0 284.323 0.506 20 30 CCEDRP N#Cc1cc(N)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc1C#N ZINC001218986771 804174983 /nfs/dbraw/zinc/17/49/83/804174983.db2.gz CZWCLRHXKNYGFT-NSHDSACASA-N 2 0 286.339 0.407 20 30 CCEDRP N#Cc1c[nH]c2cc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ccc12 ZINC001219045136 804186029 /nfs/dbraw/zinc/18/60/29/804186029.db2.gz ZICVASWWBVUIEX-CYBMUJFWSA-N 2 0 295.346 0.787 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)C1 ZINC001219649433 804390982 /nfs/dbraw/zinc/39/09/82/804390982.db2.gz IUPSEOOFYOJFLD-OSMZGAPFSA-N 2 0 251.374 0.656 20 30 CCEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)C1 ZINC001219649435 804391299 /nfs/dbraw/zinc/39/12/99/804391299.db2.gz IUPSEOOFYOJFLD-SUHUHFCYSA-N 2 0 251.374 0.656 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802191 804426019 /nfs/dbraw/zinc/42/60/19/804426019.db2.gz HJPPEIIBTXCHHN-KGLIPLIRSA-N 2 0 295.427 0.598 20 30 CCEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813956 804427142 /nfs/dbraw/zinc/42/71/42/804427142.db2.gz MJUFEKUDDMJWBQ-CABCVRRESA-N 2 0 295.427 0.598 20 30 CCEDRP [NH3+][C@H](C(=O)NC1=CC(=O)CCC1)C1CC[NH2+]CC1 ZINC001219885407 804440525 /nfs/dbraw/zinc/44/05/25/804440525.db2.gz OICLQOQDHBTXPW-LBPRGKRZSA-N 2 0 251.330 0.066 20 30 CCEDRP C[NH2+]CCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220077334 804496411 /nfs/dbraw/zinc/49/64/11/804496411.db2.gz GNNJFVORFWXHNE-AWEZNQCLSA-N 2 0 274.368 0.544 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345227 804579848 /nfs/dbraw/zinc/57/98/48/804579848.db2.gz RYALFTONQQIZKD-ILXRZTDVSA-N 2 0 297.443 0.844 20 30 CCEDRP [NH3+][C@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1CC[NH2+]CC1 ZINC001220343468 804580635 /nfs/dbraw/zinc/58/06/35/804580635.db2.gz PRVDUNIQZFAPPB-SWTNXBIASA-N 2 0 279.262 0.075 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355648 804581258 /nfs/dbraw/zinc/58/12/58/804581258.db2.gz XUFPQDXZPZIDMB-KFWWJZLASA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369186 804584806 /nfs/dbraw/zinc/58/48/06/804584806.db2.gz CBOGOBXVJGLZDV-KGLIPLIRSA-N 2 0 297.443 0.702 20 30 CCEDRP N#Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1F ZINC001220449197 804607884 /nfs/dbraw/zinc/60/78/84/804607884.db2.gz OGZBTWZAJHUGAS-LBPRGKRZSA-N 2 0 288.326 0.123 20 30 CCEDRP CC(C)(S)CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220484641 804613430 /nfs/dbraw/zinc/61/34/30/804613430.db2.gz MOTNBZOJGRRGSH-SNVBAGLBSA-N 2 0 271.430 0.685 20 30 CCEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220499444 804616944 /nfs/dbraw/zinc/61/69/44/804616944.db2.gz YZORGDCTTCFZCB-RYUDHWBXSA-N 2 0 298.387 0.053 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC001220868351 804685372 /nfs/dbraw/zinc/68/53/72/804685372.db2.gz GXILPUYQTFOCDE-GXTWGEPZSA-N 2 0 251.374 0.753 20 30 CCEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001220978300 804712110 /nfs/dbraw/zinc/71/21/10/804712110.db2.gz WNAGHEFSGXMMSD-KGLIPLIRSA-N 2 0 281.400 0.210 20 30 CCEDRP C=CC[C@@](C)(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(=O)OC ZINC001221381877 804795227 /nfs/dbraw/zinc/79/52/27/804795227.db2.gz LPJWWRFQNFUTIC-SMDDNHRTSA-N 2 0 285.388 0.327 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001223977509 804998672 /nfs/dbraw/zinc/99/86/72/804998672.db2.gz DZOPQGZQFLOXMR-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC#CC[NH+](C)C)C1 ZINC001224735482 805073875 /nfs/dbraw/zinc/07/38/75/805073875.db2.gz PKWFNKWVNOHFFQ-AWEZNQCLSA-N 2 0 280.416 0.583 20 30 CCEDRP C=C(C)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225154991 805110420 /nfs/dbraw/zinc/11/04/20/805110420.db2.gz LYDLIZHRUGTKQV-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001277148371 805276087 /nfs/dbraw/zinc/27/60/87/805276087.db2.gz OMOVUWCSNCOIOI-GJZGRUSLSA-N 2 0 295.427 0.605 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001246033844 807128276 /nfs/dbraw/zinc/12/82/76/807128276.db2.gz NRZNDSRRGYXGOT-CVEARBPZSA-N 2 0 280.412 0.851 20 30 CCEDRP N#Cc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)s1 ZINC001246279000 807205231 /nfs/dbraw/zinc/20/52/31/807205231.db2.gz CXUXHWSVEOLPMZ-SNVBAGLBSA-N 2 0 262.382 0.803 20 30 CCEDRP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC[NH2+]1 ZINC001246309923 807217957 /nfs/dbraw/zinc/21/79/57/807217957.db2.gz BVUUSFSXWVLATQ-PWSUYJOCSA-N 2 0 295.408 0.936 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246310580 807218301 /nfs/dbraw/zinc/21/83/01/807218301.db2.gz HDDPCWRWWKWCLH-IHRRRGAJSA-N 2 0 283.416 0.943 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246312434 807218519 /nfs/dbraw/zinc/21/85/19/807218519.db2.gz OTUFUXALZAXDJS-MCIONIFRSA-N 2 0 283.416 0.943 20 30 CCEDRP C#CCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246338583 807226488 /nfs/dbraw/zinc/22/64/88/807226488.db2.gz JJRCFEHMDJHVNL-PBWFPOADSA-N 2 0 252.358 0.525 20 30 CCEDRP N#Cc1csc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246504740 807268057 /nfs/dbraw/zinc/26/80/57/807268057.db2.gz RQGAGIBQEWBMHL-NSHDSACASA-N 2 0 262.382 0.803 20 30 CCEDRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001248520772 807517454 /nfs/dbraw/zinc/51/74/54/807517454.db2.gz FFBZTFKFPBPGFW-AWEZNQCLSA-N 2 0 280.416 0.725 20 30 CCEDRP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278582632 807605249 /nfs/dbraw/zinc/60/52/49/807605249.db2.gz NJSGOHDOORWPQI-HOCLYGCPSA-N 2 0 277.412 0.790 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001251708157 807696395 /nfs/dbraw/zinc/69/63/95/807696395.db2.gz LXNRWXUDCRHCCP-CQSZACIVSA-N 2 0 278.400 0.431 20 30 CCEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CC)CC1 ZINC001252486959 807890108 /nfs/dbraw/zinc/89/01/08/807890108.db2.gz KNJWDTAJQPDQQG-CQSZACIVSA-N 2 0 256.390 0.871 20 30 CCEDRP C=C[C@](C)(O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001252549137 807906588 /nfs/dbraw/zinc/90/65/88/807906588.db2.gz CEIXEJKKSLGYHE-ZNMIVQPWSA-N 2 0 267.417 0.634 20 30 CCEDRP C=CC[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH+](CC)CC ZINC001253209661 808033034 /nfs/dbraw/zinc/03/30/34/808033034.db2.gz CWSXOUDQCQCKKV-GJZGRUSLSA-N 2 0 269.433 0.929 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083506123 815178210 /nfs/dbraw/zinc/17/82/10/815178210.db2.gz QOMDYVMMNIYPHQ-KFWWJZLASA-N 2 0 295.427 0.598 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001279038414 808632343 /nfs/dbraw/zinc/63/23/43/808632343.db2.gz IQMRPIIJAFUDTM-KBPBESRZSA-N 2 0 275.396 0.542 20 30 CCEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C[NH+]1CCN(C)CC1 ZINC001261458527 808984065 /nfs/dbraw/zinc/98/40/65/808984065.db2.gz BRDHCTTWKXCYSV-ZIAGYGMSSA-N 2 0 295.431 0.007 20 30 CCEDRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC001261460198 808984364 /nfs/dbraw/zinc/98/43/64/808984364.db2.gz VLFQVXPDFHQHEA-QWHCGFSZSA-N 2 0 266.389 0.856 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001261552567 809019100 /nfs/dbraw/zinc/01/91/00/809019100.db2.gz VTHSSOQLXSWYKA-TUAOUCFPSA-N 2 0 252.362 0.593 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC001263153476 809462004 /nfs/dbraw/zinc/46/20/04/809462004.db2.gz NSUWZUWOPLAQKJ-AWEZNQCLSA-N 2 0 263.385 0.447 20 30 CCEDRP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001264392019 809650251 /nfs/dbraw/zinc/65/02/51/809650251.db2.gz AACJADMCXFBAJS-APIJFGDWSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310588 809755871 /nfs/dbraw/zinc/75/58/71/809755871.db2.gz RDTZGHBZAJMCJJ-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)COC)CC1 ZINC001265870312 809880541 /nfs/dbraw/zinc/88/05/41/809880541.db2.gz NKPYXPHQAZARCG-KGLIPLIRSA-N 2 0 295.427 0.461 20 30 CCEDRP C#CC[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266184358 809956424 /nfs/dbraw/zinc/95/64/24/809956424.db2.gz HXSTVTWDJLRTAF-OLZOCXBDSA-N 2 0 253.390 0.690 20 30 CCEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266189389 809958232 /nfs/dbraw/zinc/95/82/32/809958232.db2.gz QSAZUXFIHAFOQL-KBPBESRZSA-N 2 0 281.400 0.072 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001267281192 811089588 /nfs/dbraw/zinc/08/95/88/811089588.db2.gz JWIJXXLUYNEPJX-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077028006 815433695 /nfs/dbraw/zinc/43/36/95/815433695.db2.gz VHLKKJMEBOKZBY-GBJTYRQASA-N 2 0 295.427 0.454 20 30 CCEDRP COCC#CC[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCC1 ZINC001267840873 811828753 /nfs/dbraw/zinc/82/87/53/811828753.db2.gz FSKFDQDNUNMSFV-UHFFFAOYSA-N 2 0 295.427 0.607 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267991099 811930671 /nfs/dbraw/zinc/93/06/71/811930671.db2.gz NJUAZMLFHFTJHU-LSDHHAIUSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027884021 812115456 /nfs/dbraw/zinc/11/54/56/812115456.db2.gz FQRVCZCFFGTTLE-HUUCEWRRSA-N 2 0 275.396 0.542 20 30 CCEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028094288 812273835 /nfs/dbraw/zinc/27/38/35/812273835.db2.gz WRKFACYWJUYNPD-LSDHHAIUSA-N 2 0 295.427 0.862 20 30 CCEDRP C#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028112607 812286724 /nfs/dbraw/zinc/28/67/24/812286724.db2.gz WBYLAEZOQZYLEC-AWEZNQCLSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001028118183 812291438 /nfs/dbraw/zinc/29/14/38/812291438.db2.gz XBLILTVNVKQKKR-OAHLLOKOSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[NH2+][C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001268214749 812367930 /nfs/dbraw/zinc/36/79/30/812367930.db2.gz WKMBFSHDHUGVSH-LSDHHAIUSA-N 2 0 277.412 0.692 20 30 CCEDRP N#CCc1nc(Cl)cc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167879228 812387852 /nfs/dbraw/zinc/38/78/52/812387852.db2.gz ZRBBBUKDPSXCPP-UHFFFAOYSA-N 2 0 281.751 0.871 20 30 CCEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268309026 812468921 /nfs/dbraw/zinc/46/89/21/812468921.db2.gz UKNHQOLWTSBUCK-CYBMUJFWSA-N 2 0 283.416 0.504 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075619706 812474084 /nfs/dbraw/zinc/47/40/84/812474084.db2.gz LYGIFIJCNNPAKL-RRFJBIMHSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC)CC1 ZINC001268427693 812562342 /nfs/dbraw/zinc/56/23/42/812562342.db2.gz ZGJMRAMUOPHPLO-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001268597636 812940407 /nfs/dbraw/zinc/94/04/07/812940407.db2.gz TXAMCMCFTHJIJJ-PLNGDYQASA-N 2 0 263.385 0.614 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)CC[N@@H+](C)CC ZINC001268613081 812947832 /nfs/dbraw/zinc/94/78/32/812947832.db2.gz YLNSVIMKZLRMJI-FPLPWBNLSA-N 2 0 251.374 0.614 20 30 CCEDRP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001028629637 813008531 /nfs/dbraw/zinc/00/85/31/813008531.db2.gz PEQYGLHDUNTKEB-QLFBSQMISA-N 2 0 295.427 0.720 20 30 CCEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001268717397 813031692 /nfs/dbraw/zinc/03/16/92/813031692.db2.gz YOJNISZATUCCOH-HNNXBMFYSA-N 2 0 295.427 0.607 20 30 CCEDRP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731336 813047700 /nfs/dbraw/zinc/04/77/00/813047700.db2.gz MWTNNXKPOAOCOX-RRFJBIMHSA-N 2 0 295.427 0.413 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001028638266 813086809 /nfs/dbraw/zinc/08/68/09/813086809.db2.gz FEZINKALTUJWJM-UONOGXRCSA-N 2 0 286.379 0.517 20 30 CCEDRP C#CC[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268797123 813091488 /nfs/dbraw/zinc/09/14/88/813091488.db2.gz FWCIZMGDTXQBDG-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268883168 813131360 /nfs/dbraw/zinc/13/13/60/813131360.db2.gz CADSMAMMHIHXHY-UHFFFAOYSA-N 2 0 265.401 0.952 20 30 CCEDRP C#CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028933435 813672277 /nfs/dbraw/zinc/67/22/77/813672277.db2.gz OWJBOUSGRMJXLN-ZDUSSCGKSA-N 2 0 286.379 0.833 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028997761 813740293 /nfs/dbraw/zinc/74/02/93/813740293.db2.gz ZKPBEGVABNRVCG-GJZGRUSLSA-N 2 0 295.427 0.721 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199951 814444369 /nfs/dbraw/zinc/44/43/69/814444369.db2.gz JVUMDRNBEDYGQJ-OAGGEKHMSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001271531124 814469803 /nfs/dbraw/zinc/46/98/03/814469803.db2.gz KXAWDYSFRIFGFU-STQMWFEESA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001272271365 815988443 /nfs/dbraw/zinc/98/84/43/815988443.db2.gz KMDCIGRIOGSSJE-HNNXBMFYSA-N 2 0 295.427 0.293 20 30 CCEDRP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001272553756 816576923 /nfs/dbraw/zinc/57/69/23/816576923.db2.gz ATFCVWICGOZECB-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749479 816978177 /nfs/dbraw/zinc/97/81/77/816978177.db2.gz BTDYJLNAKSYMGZ-CABCVRRESA-N 2 0 295.427 0.456 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031774541 817356849 /nfs/dbraw/zinc/35/68/49/817356849.db2.gz AWBJQXWZLPPLIK-CQSZACIVSA-N 2 0 263.385 0.542 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695693 817462784 /nfs/dbraw/zinc/46/27/84/817462784.db2.gz TUWVYTIFXLEZHH-QWHCGFSZSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089868512 817575018 /nfs/dbraw/zinc/57/50/18/817575018.db2.gz CTDRAHGIVTXEHG-UKMLZYKCSA-N 2 0 298.390 0.754 20 30 CCEDRP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273017939 818430480 /nfs/dbraw/zinc/43/04/80/818430480.db2.gz FGRNXPZAHASHFW-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033083248 818499596 /nfs/dbraw/zinc/49/95/96/818499596.db2.gz WJCAPBJTBARORW-HOTGVXAUSA-N 2 0 289.423 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033204901 818649338 /nfs/dbraw/zinc/64/93/38/818649338.db2.gz APOKCWKPEYVKHS-HIFRSBDPSA-N 2 0 286.379 0.611 20 30 CCEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738462 819318580 /nfs/dbraw/zinc/31/85/80/819318580.db2.gz SYUPYJATWKXKGJ-TUVASFSCSA-N 2 0 277.412 0.834 20 30 CCEDRP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035259549 819426182 /nfs/dbraw/zinc/42/61/82/819426182.db2.gz XOFWZGQYKLAWFS-OAHLLOKOSA-N 2 0 289.423 0.886 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(CCC)CCO1 ZINC001035402692 819507744 /nfs/dbraw/zinc/50/77/44/819507744.db2.gz NRWAVTQESPZQDY-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782549 820637527 /nfs/dbraw/zinc/63/75/27/820637527.db2.gz QHOMUESIESBIFM-TZMCWYRMSA-N 2 0 274.368 0.422 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001080782581 820637582 /nfs/dbraw/zinc/63/75/82/820637582.db2.gz RRFCQABNLBCLNZ-TZMCWYRMSA-N 2 0 276.384 0.975 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001084831511 821404224 /nfs/dbraw/zinc/40/42/24/821404224.db2.gz OHTJIOBNADNOCP-HUUCEWRRSA-N 2 0 275.396 0.638 20 30 CCEDRP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085972646 822046414 /nfs/dbraw/zinc/04/64/14/822046414.db2.gz FIIBEEPHHWQWMK-UONOGXRCSA-N 2 0 263.385 0.494 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001086197754 822151070 /nfs/dbraw/zinc/15/10/70/822151070.db2.gz ZMGQXNLJQYDZTP-FQUUOJAGSA-N 2 0 263.385 0.302 20 30 CCEDRP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100079037 822244976 /nfs/dbraw/zinc/24/49/76/822244976.db2.gz SLDLGXJTEKVFHJ-KGLIPLIRSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083125 822255093 /nfs/dbraw/zinc/25/50/93/822255093.db2.gz NPCHEFHSPDLUQI-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083080 822255128 /nfs/dbraw/zinc/25/51/28/822255128.db2.gz MVBCNNONSXBRSF-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1ncc[nH]1 ZINC001114207624 837473210 /nfs/dbraw/zinc/47/32/10/837473210.db2.gz XVZDREXGZNFWHF-JYAVWHMHSA-N 2 0 272.352 0.412 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188811 837716757 /nfs/dbraw/zinc/71/67/57/837716757.db2.gz KILMJQUXIPJOSB-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187067 837716830 /nfs/dbraw/zinc/71/68/30/837716830.db2.gz OECRUOLAAAXXAA-HUUCEWRRSA-N 2 0 293.411 0.359 20 30 CCEDRP C=CC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230829 837734722 /nfs/dbraw/zinc/73/47/22/837734722.db2.gz XLHDHJNBKURPDZ-UHFFFAOYSA-N 2 0 269.389 0.237 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648655 844055503 /nfs/dbraw/zinc/05/55/03/844055503.db2.gz XOLQETTXUYIYEJ-KGLIPLIRSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530615 836330635 /nfs/dbraw/zinc/33/06/35/836330635.db2.gz FZDHDSNENKINGJ-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129339666 836392223 /nfs/dbraw/zinc/39/22/23/836392223.db2.gz IUFGFWMEIPQTKM-ZDUSSCGKSA-N 2 0 251.374 0.303 20 30 CCEDRP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756191 836521948 /nfs/dbraw/zinc/52/19/48/836521948.db2.gz CKBITOQLLCNHRB-ZNMIVQPWSA-N 2 0 277.412 0.931 20 30 CCEDRP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525945 838127725 /nfs/dbraw/zinc/12/77/25/838127725.db2.gz RIBPHQDGMRPWLX-MBHSVXNSSA-N 2 0 299.802 0.308 20 30 CCEDRP C=CC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132984038 838529811 /nfs/dbraw/zinc/52/98/11/838529811.db2.gz VWXFTEYVQUAYLY-UHFFFAOYSA-N 2 0 251.330 0.847 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896905 838769396 /nfs/dbraw/zinc/76/93/96/838769396.db2.gz UQAOCZMOQSNEDM-UHFFFAOYSA-N 2 0 281.400 0.074 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185492774 844425101 /nfs/dbraw/zinc/42/51/01/844425101.db2.gz RKMWARBBAYEILE-GJZGRUSLSA-N 2 0 297.443 0.825 20 30 CCEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090538413 839625973 /nfs/dbraw/zinc/62/59/73/839625973.db2.gz QUMHVFPUGWLYNP-GJZGRUSLSA-N 2 0 295.427 0.456 20 30 CCEDRP C=C(C)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205706 840115101 /nfs/dbraw/zinc/11/51/01/840115101.db2.gz WIKSFCRCJUUZME-UHFFFAOYSA-N 2 0 257.378 0.237 20 30 CCEDRP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146398020 840295713 /nfs/dbraw/zinc/29/57/13/840295713.db2.gz LEYRDLQWBJTDER-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146398019 840295858 /nfs/dbraw/zinc/29/58/58/840295858.db2.gz LEYRDLQWBJTDER-KGLIPLIRSA-N 2 0 265.401 0.978 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383563 840297164 /nfs/dbraw/zinc/29/71/64/840297164.db2.gz JBVMVZYACPRIOI-UHFFFAOYSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147825070 840692162 /nfs/dbraw/zinc/69/21/62/840692162.db2.gz NVNXIOYJNXUSLU-STQMWFEESA-N 2 0 251.374 0.446 20 30 CCEDRP C=CCOCC[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147885270 840700796 /nfs/dbraw/zinc/70/07/96/840700796.db2.gz LDAKKUQIBVELBC-CYBMUJFWSA-N 2 0 269.389 0.237 20 30 CCEDRP C#CC[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354142 840945748 /nfs/dbraw/zinc/94/57/48/840945748.db2.gz IDOJWRKZCUEZND-UHFFFAOYSA-N 2 0 260.341 0.490 20 30 CCEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132941 841152620 /nfs/dbraw/zinc/15/26/20/841152620.db2.gz HQKLONDYAHSFFG-ZIAGYGMSSA-N 2 0 277.412 0.952 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3ncc[nH]3)CC[C@H]21 ZINC001036855285 841383248 /nfs/dbraw/zinc/38/32/48/841383248.db2.gz YOTFWNDGRILAFZ-UONOGXRCSA-N 2 0 286.379 0.898 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160586 842335877 /nfs/dbraw/zinc/33/58/77/842335877.db2.gz JFNIUZPEVLLFGQ-AWEZNQCLSA-N 2 0 281.400 0.074 20 30 CCEDRP C=C(C)CN1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177079424 842502578 /nfs/dbraw/zinc/50/25/78/842502578.db2.gz CNBYMCLHDCEIIJ-CABCVRRESA-N 2 0 295.427 0.816 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180136365 843103776 /nfs/dbraw/zinc/10/37/76/843103776.db2.gz ZRLMDFMPWYRJOJ-GJZGRUSLSA-N 2 0 293.411 0.311 20 30 CCEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180125059 843109303 /nfs/dbraw/zinc/10/93/03/843109303.db2.gz ZTACKYFGPHOLDW-ZNMIVQPWSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001273467528 843302852 /nfs/dbraw/zinc/30/28/52/843302852.db2.gz UKURJUITXWOUGE-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP N#Cc1cccc(CCC(=O)N(CCCC[NH3+])C(N)=[NH2+])c1 ZINC001182341031 843775247 /nfs/dbraw/zinc/77/52/47/843775247.db2.gz DBMQEPUCJRWEFL-UHFFFAOYSA-N 2 0 287.367 0.952 20 30 CCEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229816 843981305 /nfs/dbraw/zinc/98/13/05/843981305.db2.gz PSCOIZUMGCJBNF-CQSZACIVSA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288178 844005670 /nfs/dbraw/zinc/00/56/70/844005670.db2.gz BGNOLYROQOHBCZ-CYBMUJFWSA-N 2 0 263.385 0.685 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231565 844673295 /nfs/dbraw/zinc/67/32/95/844673295.db2.gz OZHBDYJTHVSCJZ-CQSZACIVSA-N 2 0 265.401 0.932 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187329787 844694904 /nfs/dbraw/zinc/69/49/04/844694904.db2.gz VWHRMQFUHLEWOU-CYBMUJFWSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964099 845010329 /nfs/dbraw/zinc/01/03/29/845010329.db2.gz UWQZRJPCHMFBDF-UONOGXRCSA-N 2 0 275.396 0.494 20 30 CCEDRP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039355 845778980 /nfs/dbraw/zinc/77/89/80/845778980.db2.gz XZDDTKHEXQFTTI-OAHLLOKOSA-N 2 0 295.427 0.511 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192353217 845825833 /nfs/dbraw/zinc/82/58/33/845825833.db2.gz BRKGBISQBQCHEO-CABCVRRESA-N 2 0 277.412 0.884 20 30 CCEDRP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193820923 846159696 /nfs/dbraw/zinc/15/96/96/846159696.db2.gz ADUIKOMYFMCTAQ-ZIAGYGMSSA-N 2 0 281.400 0.208 20 30 CCEDRP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194009449 846195933 /nfs/dbraw/zinc/19/59/33/846195933.db2.gz DFEGNWSITHDBQT-KGLIPLIRSA-N 2 0 263.385 0.494 20 30 CCEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701945 846606253 /nfs/dbraw/zinc/60/62/53/846606253.db2.gz VHIKBPUUCPURBW-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197536503 846929361 /nfs/dbraw/zinc/92/93/61/846929361.db2.gz WACVVEVJGBMHPJ-RBSFLKMASA-N 2 0 297.443 0.844 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C12CCC2 ZINC001203312352 846955227 /nfs/dbraw/zinc/95/52/27/846955227.db2.gz SIKJXOQLEXBOBP-KBPBESRZSA-N 2 0 289.423 0.978 20 30 CCEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023887 847202529 /nfs/dbraw/zinc/20/25/29/847202529.db2.gz RTORPEFOICUPQI-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C=CCN1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071335 847217439 /nfs/dbraw/zinc/21/74/39/847217439.db2.gz RUEZYVOYUIXVJR-ZIAGYGMSSA-N 2 0 281.400 0.210 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200794645 847693899 /nfs/dbraw/zinc/69/38/99/847693899.db2.gz DGAFRYTTYSSIPN-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201494545 847785736 /nfs/dbraw/zinc/78/57/36/847785736.db2.gz VIDHEAGOJPCCQW-CQSZACIVSA-N 2 0 290.367 0.183 20 30 CCEDRP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201494310 847786726 /nfs/dbraw/zinc/78/67/26/847786726.db2.gz QTBRFSVLVMIXKZ-AWEZNQCLSA-N 2 0 292.383 0.735 20 30 CCEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057163 847851661 /nfs/dbraw/zinc/85/16/61/847851661.db2.gz DMQWGPYCJIIIMS-HUUCEWRRSA-N 2 0 293.411 0.169 20 30 CCEDRP CC#CC[NH2+]C/C=C\CNC(=O)[C@H](CC)[NH+](C)C ZINC001274368605 848460832 /nfs/dbraw/zinc/46/08/32/848460832.db2.gz MYHQGDBHQYRPJS-YXVBKTCISA-N 2 0 251.374 0.612 20 30 CCEDRP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276002394 848887838 /nfs/dbraw/zinc/88/78/38/848887838.db2.gz KXNCBLBQCGJTIC-LSDHHAIUSA-N 2 0 297.443 0.967 20 30 CCEDRP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001041691957 850486806 /nfs/dbraw/zinc/48/68/06/850486806.db2.gz HPYMBIUYUJFEDO-HOCLYGCPSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CCN(C(=O)CCn3ccnc3)C[C@H]21 ZINC001042173123 850586691 /nfs/dbraw/zinc/58/66/91/850586691.db2.gz LVURTAMNOWHJMJ-LSDHHAIUSA-N 2 0 286.379 0.829 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001044733832 851151144 /nfs/dbraw/zinc/15/11/44/851151144.db2.gz RQYZROFDAAAADT-ZFWWWQNUSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044733828 851151544 /nfs/dbraw/zinc/15/15/44/851151544.db2.gz RQYZROFDAAAADT-HIFRSBDPSA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047597605 851829632 /nfs/dbraw/zinc/82/96/32/851829632.db2.gz AKIXLXIMJQTRNH-KKUMJFAQSA-N 2 0 295.427 0.408 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596611 851829821 /nfs/dbraw/zinc/82/98/21/851829821.db2.gz UJGSEVKGUCBKDR-KKUMJFAQSA-N 2 0 295.427 0.408 20 30 CCEDRP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001329398250 903700308 /nfs/dbraw/zinc/70/03/08/903700308.db2.gz SKGSHLZCKFAMOW-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C=CCCN1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531054 852753391 /nfs/dbraw/zinc/75/33/91/852753391.db2.gz LVHRAHGBUMVKPH-AWEZNQCLSA-N 2 0 293.411 0.427 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001054735852 853004935 /nfs/dbraw/zinc/00/49/35/853004935.db2.gz KNOURJHPQRZBKS-OLZOCXBDSA-N 2 0 263.385 0.540 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001050075314 853310657 /nfs/dbraw/zinc/31/06/57/853310657.db2.gz BMJHLYCOIXCOSN-RRFJBIMHSA-N 2 0 277.412 0.883 20 30 CCEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001072981407 854507864 /nfs/dbraw/zinc/50/78/64/854507864.db2.gz HEUGWJLSKPLQQU-AWEZNQCLSA-N 2 0 275.396 0.496 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555077 854593384 /nfs/dbraw/zinc/59/33/84/854593384.db2.gz VALGAJJACDPYCQ-CABCVRRESA-N 2 0 293.411 0.311 20 30 CCEDRP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073890543 854659461 /nfs/dbraw/zinc/65/94/61/854659461.db2.gz GBVYLCJAWMPBQM-GJZGRUSLSA-N 2 0 293.411 0.169 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099159900 854918366 /nfs/dbraw/zinc/91/83/66/854918366.db2.gz LQCUHDIEPZKYPY-VYDXJSESSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099528741 854935353 /nfs/dbraw/zinc/93/53/53/854935353.db2.gz IUVGAHPGFXCASS-JJXSEGSLSA-N 2 0 289.423 0.740 20 30 CCEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099878940 855016912 /nfs/dbraw/zinc/01/69/12/855016912.db2.gz BVDMYUCWCKUIQO-CABCVRRESA-N 2 0 293.411 0.045 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099874350 855017073 /nfs/dbraw/zinc/01/70/73/855017073.db2.gz JWJMBNOOPJSUJQ-UONOGXRCSA-N 2 0 295.427 0.598 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899990 855024287 /nfs/dbraw/zinc/02/42/87/855024287.db2.gz ZOEYTBQCBJZBOP-KGLIPLIRSA-N 2 0 297.443 0.844 20 30 CCEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969581 855055723 /nfs/dbraw/zinc/05/57/23/855055723.db2.gz KSUZSQXQARWFBA-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971679 855056728 /nfs/dbraw/zinc/05/67/28/855056728.db2.gz LAMQKQDQQJQDHR-KBPBESRZSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081611 855095234 /nfs/dbraw/zinc/09/52/34/855095234.db2.gz VNDLIOMGIAQNJR-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100618310 855198745 /nfs/dbraw/zinc/19/87/45/855198745.db2.gz BUOZHFGQZVAHHB-UHFFFAOYSA-N 2 0 253.390 0.999 20 30 CCEDRP CC#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100873186 855232891 /nfs/dbraw/zinc/23/28/91/855232891.db2.gz XRLHWLASFLLGCW-NFOMZHRRSA-N 2 0 277.412 0.836 20 30 CCEDRP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100981001 855251556 /nfs/dbraw/zinc/25/15/56/855251556.db2.gz QFOAJAUMRGLDJM-SHARSMKWSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102050126 855411676 /nfs/dbraw/zinc/41/16/76/855411676.db2.gz WBDDTZAMNSAYIZ-ZIAGYGMSSA-N 2 0 277.412 0.788 20 30 CCEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513562 855442112 /nfs/dbraw/zinc/44/21/12/855442112.db2.gz QEURCDPMVIMLAD-HUUCEWRRSA-N 2 0 295.427 0.272 20 30 CCEDRP C[NH+](C)CCn1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1 ZINC001118272476 856236901 /nfs/dbraw/zinc/23/69/01/856236901.db2.gz ZNOHLFHUYLTOHD-LBPRGKRZSA-N 2 0 278.360 0.404 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211072977 891580846 /nfs/dbraw/zinc/58/08/46/891580846.db2.gz XWJSVQBZLDUZAV-UONOGXRCSA-N 2 0 263.385 0.542 20 30 CCEDRP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864664 913616600 /nfs/dbraw/zinc/61/66/00/913616600.db2.gz HBRVIHIMNQDVJY-MRXNPFEDSA-N 2 0 293.411 0.211 20 30 CCEDRP C=CC[N@H+]1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325864663 913616685 /nfs/dbraw/zinc/61/66/85/913616685.db2.gz HBRVIHIMNQDVJY-INIZCTEOSA-N 2 0 293.411 0.211 20 30 CCEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481507435 892757372 /nfs/dbraw/zinc/75/73/72/892757372.db2.gz YICPHUKFHZRYJT-GJZGRUSLSA-N 2 0 277.412 0.742 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482321031 893851320 /nfs/dbraw/zinc/85/13/20/893851320.db2.gz YNSIDZCIMZOGDU-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482366155 893921418 /nfs/dbraw/zinc/92/14/18/893921418.db2.gz OVMPNQPUQARUSU-CABCVRRESA-N 2 0 295.427 0.415 20 30 CCEDRP C#CCC[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CC1 ZINC001483586560 895667938 /nfs/dbraw/zinc/66/79/38/895667938.db2.gz SEDFDRYPJRPDJB-CYBMUJFWSA-N 2 0 251.374 0.446 20 30 CCEDRP CC#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483597905 895672769 /nfs/dbraw/zinc/67/27/69/895672769.db2.gz DLJRPMRBIMDGAG-HIFRSBDPSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484252887 896288962 /nfs/dbraw/zinc/28/89/62/896288962.db2.gz XXJBEDCKJSTLSF-HIFRSBDPSA-N 2 0 281.400 0.067 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001484697431 896556134 /nfs/dbraw/zinc/55/61/34/896556134.db2.gz VCCUDFOLTRTPSM-UONOGXRCSA-N 2 0 281.400 0.023 20 30 CCEDRP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407839 897474883 /nfs/dbraw/zinc/47/48/83/897474883.db2.gz PFQWDRSEOIPREM-HRCADAONSA-N 2 0 287.407 0.637 20 30 CCEDRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001326828081 914214450 /nfs/dbraw/zinc/21/44/50/914214450.db2.gz HWUXPRBZVUYUIK-WOPDTQHZSA-N 2 0 252.362 0.736 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCC1 ZINC001326845257 914226459 /nfs/dbraw/zinc/22/64/59/914226459.db2.gz VGPFVZRADBNYFB-CYBMUJFWSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485875721 898482115 /nfs/dbraw/zinc/48/21/15/898482115.db2.gz BICKEEYBOSHBAY-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC#CCOC ZINC001485946421 898530302 /nfs/dbraw/zinc/53/03/02/898530302.db2.gz DDZDFYTXGDPTPQ-AWEZNQCLSA-N 2 0 283.416 0.415 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(C)C)CC1 ZINC001486065420 898632103 /nfs/dbraw/zinc/63/21/03/898632103.db2.gz GSQPDMUGUIBSQV-OAHLLOKOSA-N 2 0 295.427 0.054 20 30 CCEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001486065411 898632793 /nfs/dbraw/zinc/63/27/93/898632793.db2.gz GPPZBHBXCUXGFV-HUUCEWRRSA-N 2 0 297.443 0.750 20 30 CCEDRP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127630 898688435 /nfs/dbraw/zinc/68/84/35/898688435.db2.gz JAEFIKAZYHNHCS-GJZGRUSLSA-N 2 0 295.427 0.864 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001486278185 898737788 /nfs/dbraw/zinc/73/77/88/898737788.db2.gz LXMZPEVOKQNDQP-QLFBSQMISA-N 2 0 297.443 0.702 20 30 CCEDRP CC#CC[NH2+]CCOCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001486498238 898912645 /nfs/dbraw/zinc/91/26/45/898912645.db2.gz OCZYBUNMPHNACF-OAHLLOKOSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001327570791 914624915 /nfs/dbraw/zinc/62/49/15/914624915.db2.gz ZOPDBOCZANKBGN-GOEBONIOSA-N 2 0 295.427 0.149 20 30 CCEDRP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064257 903832888 /nfs/dbraw/zinc/83/28/88/903832888.db2.gz LOQMGGJDCPOPIG-LSDHHAIUSA-N 2 0 295.427 0.721 20 30 CCEDRP C#CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001281282963 904256066 /nfs/dbraw/zinc/25/60/66/904256066.db2.gz MKHZAJLZUWDKBY-UHFFFAOYSA-N 2 0 293.411 0.361 20 30 CCEDRP C#CC[NH2+]CC1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001282057441 904400817 /nfs/dbraw/zinc/40/08/17/904400817.db2.gz LRJAPKBTESJMGD-HSBZDZAISA-N 2 0 263.385 0.446 20 30 CCEDRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CCOC ZINC001282215205 904434515 /nfs/dbraw/zinc/43/45/15/904434515.db2.gz QQQGLAYPFYEJKI-ZIAGYGMSSA-N 2 0 283.416 0.461 20 30 CCEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001284418281 905283680 /nfs/dbraw/zinc/28/36/80/905283680.db2.gz SCIPYSIRQVLNHB-AWEZNQCLSA-N 2 0 295.427 0.293 20 30 CCEDRP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317344154 908165522 /nfs/dbraw/zinc/16/55/22/908165522.db2.gz QAUHXGLPNRNNQX-KGLIPLIRSA-N 2 0 263.385 0.400 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317536350 908635111 /nfs/dbraw/zinc/63/51/11/908635111.db2.gz YJFZBLKBODZZNY-OAHLLOKOSA-N 2 0 277.412 0.790 20 30 CCEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001341642185 908639598 /nfs/dbraw/zinc/63/95/98/908639598.db2.gz HPIMGHBXIBWQGG-JHJVBQTASA-N 2 0 264.373 0.512 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313437694 908667987 /nfs/dbraw/zinc/66/79/87/908667987.db2.gz CCMAVJKXZURIAI-HNNXBMFYSA-N 2 0 292.427 0.821 20 30 CCEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317065763 908953619 /nfs/dbraw/zinc/95/36/19/908953619.db2.gz WNEMGOBFCKNCRY-STQMWFEESA-N 2 0 251.374 0.540 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317322874 909143851 /nfs/dbraw/zinc/14/38/51/909143851.db2.gz QQEGWTRZCYCLPC-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)C1 ZINC001317345378 909151126 /nfs/dbraw/zinc/15/11/26/909151126.db2.gz ZRCODWQPPHCEFE-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001317551471 909323235 /nfs/dbraw/zinc/32/32/35/909323235.db2.gz XGSSXQGEPSCREJ-HNNXBMFYSA-N 2 0 295.427 0.864 20 30 CCEDRP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317808785 909506799 /nfs/dbraw/zinc/50/67/99/909506799.db2.gz HTQBCLCMRYYIMI-KBPBESRZSA-N 2 0 265.401 0.788 20 30 CCEDRP C#C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)(C)C ZINC001338534105 921501767 /nfs/dbraw/zinc/50/17/67/921501767.db2.gz KHZICSHOWCGDAP-ZIAGYGMSSA-N 2 0 267.417 0.232 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840798 909520937 /nfs/dbraw/zinc/52/09/37/909520937.db2.gz VHMFOLPWXNDGMK-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC#CCOC ZINC001318507444 909786950 /nfs/dbraw/zinc/78/69/50/909786950.db2.gz RAZSWVPKYZJVLK-ZIAGYGMSSA-N 2 0 281.400 0.215 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001318592545 909827073 /nfs/dbraw/zinc/82/70/73/909827073.db2.gz HHCWSYZIHHWXLT-QWHCGFSZSA-N 2 0 253.390 0.690 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001319190005 910024887 /nfs/dbraw/zinc/02/48/87/910024887.db2.gz QZBYKNOVZNVZPJ-DZGCQCFKSA-N 2 0 277.412 0.693 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001319286361 910072974 /nfs/dbraw/zinc/07/29/74/910072974.db2.gz VMMZTDDGNCFPTI-HNNXBMFYSA-N 2 0 289.423 0.697 20 30 CCEDRP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001319862846 910323224 /nfs/dbraw/zinc/32/32/24/910323224.db2.gz HQBUMBXQUOTGTQ-CABCVRRESA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC#CC)CC1 ZINC001320643600 910774571 /nfs/dbraw/zinc/77/45/71/910774571.db2.gz GVHBXLQWCFSUSU-HNNXBMFYSA-N 2 0 289.423 0.839 20 30 CCEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CN(C)CCO1 ZINC001321010708 911010293 /nfs/dbraw/zinc/01/02/93/911010293.db2.gz AYEPUAFJRQLFRB-SZZPACECSA-N 2 0 267.373 0.155 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001321867648 911541202 /nfs/dbraw/zinc/54/12/02/911541202.db2.gz RSFANXNGYXZSEN-UONOGXRCSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC#C ZINC001322173976 911695430 /nfs/dbraw/zinc/69/54/30/911695430.db2.gz CUDYJVNOMUDVJJ-KGLIPLIRSA-N 2 0 261.369 0.154 20 30 CCEDRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])CCCC#N)CCOCC1 ZINC001329271516 915784350 /nfs/dbraw/zinc/78/43/50/915784350.db2.gz DDIIGHVAQKJMGQ-GFCCVEGCSA-N 2 0 282.388 0.235 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001329282309 915790604 /nfs/dbraw/zinc/79/06/04/915790604.db2.gz RDFXFUMCCVFBME-KGLIPLIRSA-N 2 0 294.399 0.188 20 30 CCEDRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001329569286 916021856 /nfs/dbraw/zinc/02/18/56/916021856.db2.gz OGCYUVXCFIJYOH-AWEZNQCLSA-N 2 0 295.431 0.150 20 30 CCEDRP CC#CC[NH+]1CC([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001330041342 916374798 /nfs/dbraw/zinc/37/47/98/916374798.db2.gz ZCBKKBSJGYEPRN-ZDUSSCGKSA-N 2 0 265.401 0.788 20 30 CCEDRP C[NH2+][C@@H](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331322563 917264811 /nfs/dbraw/zinc/26/48/11/917264811.db2.gz PYASKTZMGBLHFK-ATWGWHJKSA-N 2 0 264.373 0.240 20 30 CCEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001331842654 917656539 /nfs/dbraw/zinc/65/65/39/917656539.db2.gz QMWMYIRYTPCONB-QWHCGFSZSA-N 2 0 269.389 0.114 20 30 CCEDRP C[C@H](CCCC[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331967750 917767420 /nfs/dbraw/zinc/76/74/20/917767420.db2.gz BQJHHBNNEDMIHL-UQJCBBSYSA-N 2 0 278.400 0.759 20 30 CCEDRP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001332217487 917962978 /nfs/dbraw/zinc/96/29/78/917962978.db2.gz HOQSUSGLRGVYFV-ZIAGYGMSSA-N 2 0 265.401 0.929 20 30 CCEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001332587988 918291745 /nfs/dbraw/zinc/29/17/45/918291745.db2.gz NVBSHEWCUQOHDU-HNNXBMFYSA-N 2 0 297.443 0.702 20 30 CCEDRP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001332678652 918377113 /nfs/dbraw/zinc/37/71/13/918377113.db2.gz QYMCGDZNCUVAGN-HNNXBMFYSA-N 2 0 297.443 0.800 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC001334291313 919480662 /nfs/dbraw/zinc/48/06/62/919480662.db2.gz JFYCEFFGMGVFQG-UHFFFAOYSA-N 2 0 292.427 0.869 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001335540093 920262090 /nfs/dbraw/zinc/26/20/90/920262090.db2.gz WQZCOVYSTPRUTR-ZFWWWQNUSA-N 2 0 278.400 0.464 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001336877197 921076218 /nfs/dbraw/zinc/07/62/18/921076218.db2.gz OIAXCJLKEJWKFB-AWEZNQCLSA-N 2 0 280.416 0.773 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](CC)CC1 ZINC001340112839 921963518 /nfs/dbraw/zinc/96/35/18/921963518.db2.gz PVEWBXWZUWNFHF-HNNXBMFYSA-N 2 0 296.459 0.814 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001342274414 922890688 /nfs/dbraw/zinc/89/06/88/922890688.db2.gz HDBHIADPNJOJCM-AAEUAGOBSA-N 2 0 250.346 0.362 20 30 CCEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1(CCOC)CC[NH2+]CC1 ZINC001342318093 922909320 /nfs/dbraw/zinc/90/93/20/922909320.db2.gz HSYWGCLPNDWXFQ-CYBMUJFWSA-N 2 0 283.416 0.945 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001342325933 922915344 /nfs/dbraw/zinc/91/53/44/922915344.db2.gz HPYJLFKZRQJAHK-AEJSXWLSSA-N 2 0 257.765 0.842 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001343012948 923166498 /nfs/dbraw/zinc/16/64/98/923166498.db2.gz PDZNVXGXYRLNCO-MDZLAQPJSA-N 2 0 250.346 0.347 20 30 CCEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343034674 923166985 /nfs/dbraw/zinc/16/69/85/923166985.db2.gz SHVCVFGLNOPCDK-ZYHUDNBSSA-N 2 0 257.765 0.811 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001344720646 923674341 /nfs/dbraw/zinc/67/43/41/923674341.db2.gz PSKMKTSOPUTABG-HRDYMLBCSA-N 2 0 278.278 0.356 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001345781187 923978688 /nfs/dbraw/zinc/97/86/88/923978688.db2.gz PUTGNERMBWFKBB-KBPBESRZSA-N 2 0 294.399 0.188 20 30 CCEDRP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001346210579 924112219 /nfs/dbraw/zinc/11/22/19/924112219.db2.gz WBMWNJRNCRXXRZ-KKUMJFAQSA-N 2 0 295.427 0.728 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC001349825815 925070783 /nfs/dbraw/zinc/07/07/83/925070783.db2.gz ZGPZAAMDWRGBDI-BQBZGAKWSA-N 2 0 252.240 0.013 20 30 CCEDRP C#CC[NH2+]CC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC001353580934 925876112 /nfs/dbraw/zinc/87/61/12/925876112.db2.gz DEIFOEUVVISXPD-UHFFFAOYSA-N 2 0 263.385 0.686 20 30 CCEDRP COc1ccc(OC)c([C@H](O)C[NH2+]CC#CC[NH+](C)C)c1 ZINC001356595434 926407411 /nfs/dbraw/zinc/40/74/11/926407411.db2.gz JGUALLINIYUYTC-OAHLLOKOSA-N 2 0 292.379 0.892 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC001446381060 930400976 /nfs/dbraw/zinc/40/09/76/930400976.db2.gz ICEFMEILBKWGQA-ZDUSSCGKSA-N 2 0 269.389 0.019 20 30 CCEDRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)C2 ZINC000601968861 362443045 /nfs/dbraw/zinc/44/30/45/362443045.db2.gz IICJGRSWAJNERS-BNOWGMLFSA-N 2 0 264.373 0.466 20 30 CCEDRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000602532555 362661057 /nfs/dbraw/zinc/66/10/57/362661057.db2.gz YFMXBNMHXTUPOV-RYUDHWBXSA-N 2 0 252.362 0.464 20 30 CCEDRP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000602532456 362661333 /nfs/dbraw/zinc/66/13/33/362661333.db2.gz XRXNNCYUWUGRPP-CHWSQXEVSA-N 2 0 266.389 0.854 20 30 CCEDRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000573123635 358940811 /nfs/dbraw/zinc/94/08/11/358940811.db2.gz LQOCYUQYHYGERC-RYUDHWBXSA-N 2 0 252.362 0.466 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000592471870 359849889 /nfs/dbraw/zinc/84/98/89/359849889.db2.gz KWYHESJSVFIXLY-UHFFFAOYSA-N 2 0 268.405 0.888 20 30 CCEDRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424361 360300269 /nfs/dbraw/zinc/30/02/69/360300269.db2.gz BOVMYHDRVRRLOB-NSHDSACASA-N 2 0 254.378 0.841 20 30 CCEDRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594440988 360309915 /nfs/dbraw/zinc/30/99/15/360309915.db2.gz KLVSOBADVASJLB-NEPJUHHUSA-N 2 0 252.362 0.608 20 30 CCEDRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594444261 360311665 /nfs/dbraw/zinc/31/16/65/360311665.db2.gz NMHMBIXNFVAJPW-LPWJVIDDSA-N 2 0 266.389 0.900 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)F ZINC000594444365 360312078 /nfs/dbraw/zinc/31/20/78/360312078.db2.gz PWOOBBVNQMIKDG-DTWKUNHWSA-N 2 0 262.304 0.496 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)C[C@@]1(C)C[NH3+] ZINC000594450053 360315490 /nfs/dbraw/zinc/31/54/90/360315490.db2.gz RVCQXSNKCSQZKW-MBNYWOFBSA-N 2 0 266.389 0.841 20 30 CCEDRP C=CC[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629560311 369708749 /nfs/dbraw/zinc/70/87/49/369708749.db2.gz LJQLLTRUDGMQTH-HNNXBMFYSA-N 2 0 267.417 0.683 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626427 802925775 /nfs/dbraw/zinc/92/57/75/802925775.db2.gz GPJAIWIRXXGHPO-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C=CC[C@]1(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CCC[NH2+]1 ZINC000638643241 375248074 /nfs/dbraw/zinc/24/80/74/375248074.db2.gz ZMCMUZCGPVRCSE-OUCADQQQSA-N 2 0 251.374 0.941 20 30 CCEDRP C=CC[C@@]1(C(=O)NCCOCCC[NH3+])CCC[NH2+]1 ZINC000638664428 375269469 /nfs/dbraw/zinc/26/94/69/375269469.db2.gz VDTMZMQDKDOWIQ-ZDUSSCGKSA-N 2 0 255.362 0.166 20 30 CCEDRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000329528858 389168645 /nfs/dbraw/zinc/16/86/45/389168645.db2.gz SVBUFAKBPFIUGL-GFCCVEGCSA-N 2 0 284.404 0.041 20 30 CCEDRP C[C@H](C#N)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000343653961 389268695 /nfs/dbraw/zinc/26/86/95/389268695.db2.gz GURVYPLTPOQDQC-GFCCVEGCSA-N 2 0 266.389 0.630 20 30 CCEDRP C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000343653965 389268707 /nfs/dbraw/zinc/26/87/07/389268707.db2.gz GURVYPLTPOQDQC-LBPRGKRZSA-N 2 0 266.389 0.630 20 30 CCEDRP C[C@H]1C[NH+]=C(NCc2ccc(N3CC[NH+](C)CC3)nc2)N1 ZINC000262682214 389293601 /nfs/dbraw/zinc/29/36/01/389293601.db2.gz WSCZIHOHZPCJSA-LBPRGKRZSA-N 2 0 288.399 0.271 20 30 CCEDRP [NH2+]=C(NCCCN1CCOCC1)NCc1ccc(F)cc1 ZINC000264073839 389304999 /nfs/dbraw/zinc/30/49/99/389304999.db2.gz GQUODKGTVGSQKT-UHFFFAOYSA-N 2 0 294.374 0.952 20 30 CCEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000514933778 390471154 /nfs/dbraw/zinc/47/11/54/390471154.db2.gz YJAJFLDHMSBKOY-INIZCTEOSA-N 2 0 294.443 0.799 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000519774097 390542024 /nfs/dbraw/zinc/54/20/24/390542024.db2.gz YKJPFYNIFVQGAU-CHWSQXEVSA-N 2 0 264.373 0.704 20 30 CCEDRP C=CC[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662780574 414786849 /nfs/dbraw/zinc/78/68/49/414786849.db2.gz QJSACASWZNSIKR-HOCLYGCPSA-N 2 0 292.427 0.191 20 30 CCEDRP C=CC[C@]1(C(=O)N2CC[C@@H](C[NH2+]C)C2)CCC[NH2+]1 ZINC000662413760 414715929 /nfs/dbraw/zinc/71/59/29/414715929.db2.gz JMQSTGZIGIGLSG-GXTWGEPZSA-N 2 0 251.374 0.753 20 30 CCEDRP CC(C)[N@H+](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000518299832 260371483 /nfs/dbraw/zinc/37/14/83/260371483.db2.gz KLCOWQNWZJUAKA-UHFFFAOYSA-N 2 0 252.362 0.431 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000491764396 262015590 /nfs/dbraw/zinc/01/55/90/262015590.db2.gz AGTBVVDHOJRPLN-CYBMUJFWSA-N 2 0 266.389 0.322 20 30 CCEDRP C[NH+](C)CCCOc1cnccc1CNC(N)=[NH2+] ZINC000288735281 263105655 /nfs/dbraw/zinc/10/56/55/263105655.db2.gz OFBBKXPHOFEXRJ-UHFFFAOYSA-N 2 0 251.334 0.186 20 30 CCEDRP C=CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272967107 328202262 /nfs/dbraw/zinc/20/22/62/328202262.db2.gz QCVQXJGWRWBLLW-OAHLLOKOSA-N 2 0 288.395 0.844 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278390582 328225016 /nfs/dbraw/zinc/22/50/16/328225016.db2.gz ZWQIVWURBXVCPR-ZDUSSCGKSA-N 2 0 291.399 0.979 20 30 CCEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908685 329072045 /nfs/dbraw/zinc/07/20/45/329072045.db2.gz WWJRYXQKGBVNTI-STQMWFEESA-N 2 0 268.405 0.802 20 30 CCEDRP C=CCNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000262351267 330007403 /nfs/dbraw/zinc/00/74/03/330007403.db2.gz GAADSOCIHZUUMT-UHFFFAOYSA-N 2 0 256.419 0.904 20 30 CCEDRP COC[C@@H](C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000262472584 330015681 /nfs/dbraw/zinc/01/56/81/330015681.db2.gz PFAVBQXVXGHADN-PNESKVBLSA-N 2 0 268.405 0.943 20 30 CCEDRP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262501534 330018066 /nfs/dbraw/zinc/01/80/66/330018066.db2.gz YPFBIHGHKQWUCN-OLZOCXBDSA-N 2 0 268.405 0.896 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262512789 330019080 /nfs/dbraw/zinc/01/90/80/330019080.db2.gz MLMXAYABOQQSMP-DGCLKSJQSA-N 2 0 286.445 0.243 20 30 CCEDRP CC[NH+]=C(NCC(C)C)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262774604 330030570 /nfs/dbraw/zinc/03/05/70/330030570.db2.gz IVHMLUFOXLJPFP-ZDUSSCGKSA-N 2 0 267.421 0.197 20 30 CCEDRP C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262860277 330035656 /nfs/dbraw/zinc/03/56/56/330035656.db2.gz YZJMIVCMRVWLIZ-STQMWFEESA-N 2 0 280.416 0.672 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCC)CC2)CC1 ZINC000490614647 332095624 /nfs/dbraw/zinc/09/56/24/332095624.db2.gz BESYKVONPBMAGB-UHFFFAOYSA-N 2 0 277.412 0.886 20 30 CCEDRP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000491203858 332165574 /nfs/dbraw/zinc/16/55/74/332165574.db2.gz ZZTKSHDPNOWBNL-CQSZACIVSA-N 2 0 265.401 0.790 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000491327599 332191358 /nfs/dbraw/zinc/19/13/58/332191358.db2.gz WVJHQSOTRGVREA-OAHLLOKOSA-N 2 0 294.443 0.973 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000491381523 332201071 /nfs/dbraw/zinc/20/10/71/332201071.db2.gz FXRTYGAVXVYTMK-KBPBESRZSA-N 2 0 278.400 0.192 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000491642906 332261958 /nfs/dbraw/zinc/26/19/58/332261958.db2.gz YUVYOYCONGWDSR-AGUYFDCRSA-N 2 0 263.385 0.731 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000491733364 332314562 /nfs/dbraw/zinc/31/45/62/332314562.db2.gz NZIXAUQXBCNBMD-STQMWFEESA-N 2 0 251.374 0.588 20 30 CCEDRP C#CCN1CCN(C(=O)C[N@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000491776473 332341950 /nfs/dbraw/zinc/34/19/50/332341950.db2.gz WBVDUEGPDGAGAG-AWEZNQCLSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000491809285 332362256 /nfs/dbraw/zinc/36/22/56/332362256.db2.gz XHKKOQKSCOZXLV-AWEZNQCLSA-N 2 0 280.416 0.630 20 30 CCEDRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000517521951 333101061 /nfs/dbraw/zinc/10/10/61/333101061.db2.gz HQEOHWDVOJJFMA-UHFFFAOYSA-N 2 0 266.389 0.678 20 30 CCEDRP COCC[N@H+](C)C[C@H](O)CN1CCC(C#N)CC1 ZINC000385879742 336159018 /nfs/dbraw/zinc/15/90/18/336159018.db2.gz BNBDASJRQMBLBX-ZDUSSCGKSA-N 2 0 255.362 0.161 20 30 CCEDRP C[NH+]=C(NCCn1cccn1)NC1CC[NH+](C(C)C)CC1 ZINC000114089840 526368149 /nfs/dbraw/zinc/36/81/49/526368149.db2.gz KINVEXSXGCCVIE-UHFFFAOYSA-N 2 0 292.431 0.921 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000334891208 526430242 /nfs/dbraw/zinc/43/02/42/526430242.db2.gz IKABQMMKRDUVPD-KBPBESRZSA-N 2 0 292.427 0.888 20 30 CCEDRP C[NH+](C)CC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000727931032 581341430 /nfs/dbraw/zinc/34/14/30/581341430.db2.gz FDHYTPOTJZIRTD-UHFFFAOYSA-N 2 0 252.362 0.290 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000764622834 581773827 /nfs/dbraw/zinc/77/38/27/581773827.db2.gz DHBHFJCEONXFGY-UHFFFAOYSA-N 2 0 283.416 0.409 20 30 CCEDRP C#CCNC(=O)[C@H](C)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131381 612950101 /nfs/dbraw/zinc/95/01/01/612950101.db2.gz WKESPUVAILTIAV-KGLIPLIRSA-N 2 0 286.379 0.730 20 30 CCEDRP C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863588689 613022851 /nfs/dbraw/zinc/02/28/51/613022851.db2.gz DALCPZBJFHQVLB-UONOGXRCSA-N 2 0 254.374 0.461 20 30 CCEDRP C[C@@H](C#N)OCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000801936239 617297096 /nfs/dbraw/zinc/29/70/96/617297096.db2.gz QZGXYKKJSVUURY-AWEZNQCLSA-N 2 0 268.405 0.484 20 30 CCEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000969169814 612963841 /nfs/dbraw/zinc/96/38/41/612963841.db2.gz IBWUOGRKDCCGBL-HUUCEWRRSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000981310411 612973203 /nfs/dbraw/zinc/97/32/03/612973203.db2.gz BOCBBSPYMMUQNR-GJZGRUSLSA-N 2 0 277.412 0.978 20 30 CCEDRP C#CCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000851868137 612983673 /nfs/dbraw/zinc/98/36/73/612983673.db2.gz OWZLUVHHNMMXJB-SJPCQFCGSA-N 2 0 291.439 0.879 20 30 CCEDRP C#CCC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000847516617 612998801 /nfs/dbraw/zinc/99/88/01/612998801.db2.gz XVMOCZABPNSKBC-AWEZNQCLSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC000960576199 613044565 /nfs/dbraw/zinc/04/45/65/613044565.db2.gz GTICWOCMVZOEFU-BARDWOONSA-N 2 0 275.396 0.540 20 30 CCEDRP C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](C)CC1 ZINC000925346536 613068161 /nfs/dbraw/zinc/06/81/61/613068161.db2.gz CZLVQKBLHRLNCO-HIFRSBDPSA-N 2 0 292.427 0.818 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883668165 613075202 /nfs/dbraw/zinc/07/52/02/613075202.db2.gz PCHTWCJPYQZGTM-ZDUSSCGKSA-N 2 0 266.389 0.335 20 30 CCEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000852360377 613076163 /nfs/dbraw/zinc/07/61/63/613076163.db2.gz XTWCIJXRAQCUEM-CQSZACIVSA-N 2 0 280.416 0.725 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891920663 613076212 /nfs/dbraw/zinc/07/62/12/613076212.db2.gz CGMHKQZNYDBYAP-UKRRQHHQSA-N 2 0 278.400 0.525 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000855360070 613128609 /nfs/dbraw/zinc/12/86/09/613128609.db2.gz BLPZYIJCRCRJIN-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000928648861 613133342 /nfs/dbraw/zinc/13/33/42/613133342.db2.gz SPKXKSLTSLXNOY-ZDUSSCGKSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CC2)CC1 ZINC000922980685 613134053 /nfs/dbraw/zinc/13/40/53/613134053.db2.gz GPFVYUZLBVIWLY-UHFFFAOYSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000922906921 613134757 /nfs/dbraw/zinc/13/47/57/613134757.db2.gz FVGQVOFOSQATIF-CQSZACIVSA-N 2 0 278.400 0.477 20 30 CCEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000928648343 613136776 /nfs/dbraw/zinc/13/67/76/613136776.db2.gz LBNBESQRQUYIDU-LSDHHAIUSA-N 2 0 291.395 0.063 20 30 CCEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931488408 613292688 /nfs/dbraw/zinc/29/26/88/613292688.db2.gz RZMLWSMFJJCEET-UHFFFAOYSA-N 2 0 297.443 0.800 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960726136 613316655 /nfs/dbraw/zinc/31/66/55/613316655.db2.gz ZSTBIJLGUQMDHP-QXSJWSMHSA-N 2 0 289.423 0.786 20 30 CCEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000962762404 613316909 /nfs/dbraw/zinc/31/69/09/613316909.db2.gz LRZQWZPIQUOGBR-BARDWOONSA-N 2 0 275.396 0.540 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978967463 613343467 /nfs/dbraw/zinc/34/34/67/613343467.db2.gz ZVFPTVUEOUYBMB-QKDCVEJESA-N 2 0 289.423 0.952 20 30 CCEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967709085 613348593 /nfs/dbraw/zinc/34/85/93/613348593.db2.gz VNGORXYUEVZCOC-OLZOCXBDSA-N 2 0 251.374 0.847 20 30 CCEDRP C=C(C)[C@H](CO)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930136989 613362709 /nfs/dbraw/zinc/36/27/09/613362709.db2.gz QIWIHXCFVRQBGC-PMPSAXMXSA-N 2 0 281.444 0.881 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000907587160 613363877 /nfs/dbraw/zinc/36/38/77/613363877.db2.gz GEWHKZVHSPQRKC-AWEZNQCLSA-N 2 0 297.443 0.798 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000907515636 613363982 /nfs/dbraw/zinc/36/39/82/613363982.db2.gz NRBJAKWEJYUGGI-KBPBESRZSA-N 2 0 283.416 0.408 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199590 613364302 /nfs/dbraw/zinc/36/43/02/613364302.db2.gz GPGOQGAMPAXOIH-ZIAGYGMSSA-N 2 0 281.400 0.162 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909273146 613364715 /nfs/dbraw/zinc/36/47/15/613364715.db2.gz PIOBWUWEYZWIAS-UHFFFAOYSA-N 2 0 269.389 0.067 20 30 CCEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900808021 613365298 /nfs/dbraw/zinc/36/52/98/613365298.db2.gz XXZPUJMNZPIZKA-UONOGXRCSA-N 2 0 282.432 0.245 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000834804076 613366461 /nfs/dbraw/zinc/36/64/61/613366461.db2.gz HLSBQGKONUMZEG-UHFFFAOYSA-N 2 0 251.374 0.872 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000862794078 613366587 /nfs/dbraw/zinc/36/65/87/613366587.db2.gz WASZBMPRDFEMSA-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000854981707 613366886 /nfs/dbraw/zinc/36/68/86/613366886.db2.gz ZFKSUAPAVLDOLC-ZDUSSCGKSA-N 2 0 269.389 0.331 20 30 CCEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824084457 613366968 /nfs/dbraw/zinc/36/69/68/613366968.db2.gz GMHWGWWIVGTEFD-RYUDHWBXSA-N 2 0 253.390 0.949 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000876780779 613390091 /nfs/dbraw/zinc/39/00/91/613390091.db2.gz BGTHCWRVDPODRQ-RYUDHWBXSA-N 2 0 288.823 0.208 20 30 CCEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000877003993 613390595 /nfs/dbraw/zinc/39/05/95/613390595.db2.gz FJLZAPCIVUDASL-UWVGGRQHSA-N 2 0 257.765 0.857 20 30 CCEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000883425061 613413270 /nfs/dbraw/zinc/41/32/70/613413270.db2.gz KOTRGOYSTGDMHH-STQMWFEESA-N 2 0 251.374 0.847 20 30 CCEDRP CC#CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875503615 613522346 /nfs/dbraw/zinc/52/23/46/613522346.db2.gz BPWGTSDCYLJWRN-HUUCEWRRSA-N 2 0 294.443 0.781 20 30 CCEDRP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970876059 613531400 /nfs/dbraw/zinc/53/14/00/613531400.db2.gz BTGXIVCIYXPGLJ-OLZOCXBDSA-N 2 0 263.385 0.398 20 30 CCEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000923366787 613591191 /nfs/dbraw/zinc/59/11/91/613591191.db2.gz ORFGJPORFBJSFF-KGLIPLIRSA-N 2 0 253.390 0.293 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735819 613610645 /nfs/dbraw/zinc/61/06/45/613610645.db2.gz QNAMERPPKAVYCO-CYBMUJFWSA-N 2 0 263.385 0.801 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC000958414624 613637594 /nfs/dbraw/zinc/63/75/94/613637594.db2.gz HTSXVUYIDXOSAG-RQJABVFESA-N 2 0 261.369 0.150 20 30 CCEDRP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970869941 613668921 /nfs/dbraw/zinc/66/89/21/613668921.db2.gz RXJMJMLCPQLKSR-NWDGAFQWSA-N 2 0 251.374 0.561 20 30 CCEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891522452 613674853 /nfs/dbraw/zinc/67/48/53/613674853.db2.gz PVSKOFPEEREQAT-OKILXGFUSA-N 2 0 278.400 0.783 20 30 CCEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978676736 613834726 /nfs/dbraw/zinc/83/47/26/613834726.db2.gz KMGNOYJLKBYMAW-QKDCVEJESA-N 2 0 277.412 0.808 20 30 CCEDRP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC000979008057 613834833 /nfs/dbraw/zinc/83/48/33/613834833.db2.gz PWXWUZLDKFJFCY-MPTYRVRUSA-N 2 0 289.423 0.952 20 30 CCEDRP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979068205 613834899 /nfs/dbraw/zinc/83/48/99/613834899.db2.gz HCBPYORLOTVXDC-XDQVBPFNSA-N 2 0 263.385 0.418 20 30 CCEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923486127 613851672 /nfs/dbraw/zinc/85/16/72/613851672.db2.gz NLOMPSABIANNFB-WDEREUQCSA-N 2 0 268.361 0.057 20 30 CCEDRP CC(C)[C@H]([NH3+])CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884415712 614226277 /nfs/dbraw/zinc/22/62/77/614226277.db2.gz DQHVOMVQZRDUAO-DNCHLWJUSA-N 2 0 278.400 0.615 20 30 CCEDRP CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429377 614285850 /nfs/dbraw/zinc/28/58/50/614285850.db2.gz GICHCXYVQMQXQX-LZWOXQAQSA-N 2 0 292.427 0.924 20 30 CCEDRP CC[NH+]=C(NCCO)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000153693663 614420945 /nfs/dbraw/zinc/42/09/45/614420945.db2.gz FKOLZYOBGHMOJT-GHMZBOCLSA-N 2 0 254.378 0.159 20 30 CCEDRP CCNC(NC[C@@H]1CCC[N@@H+]1CCCO)=[NH+]CC ZINC000849033856 614420988 /nfs/dbraw/zinc/42/09/88/614420988.db2.gz CFVMQACJPSRHLT-LBPRGKRZSA-N 2 0 256.394 0.408 20 30 CCEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000104179635 614743182 /nfs/dbraw/zinc/74/31/82/614743182.db2.gz VIKQUXFVWFQNCL-GFCCVEGCSA-N 2 0 254.378 0.365 20 30 CCEDRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869646 614863690 /nfs/dbraw/zinc/86/36/90/614863690.db2.gz JGROWBDEMSAHKO-HNNXBMFYSA-N 2 0 277.412 0.790 20 30 CCEDRP C[NH+](C)C[C@@H]1CN(c2cc(C#N)ncn2)C[C@H]1C[NH+](C)C ZINC000866012245 615930681 /nfs/dbraw/zinc/93/06/81/615930681.db2.gz VPTPMQDVYXSYRT-CHWSQXEVSA-N 2 0 288.399 0.524 20 30 CCEDRP CN(CCCCCC[NH3+])C(=O)[C@@H]([NH3+])CCCC#N ZINC000877437316 616072227 /nfs/dbraw/zinc/07/22/27/616072227.db2.gz APLNFWHZJLKYNN-LBPRGKRZSA-N 2 0 254.378 0.985 20 30 CCEDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903827167 616088337 /nfs/dbraw/zinc/08/83/37/616088337.db2.gz PNSSCFOWCUJOOW-UHFFFAOYSA-N 2 0 264.398 0.957 20 30 CCEDRP C[N@H+](CCOCC[NH3+])C[C@@H](O)COc1ccccc1C#N ZINC000923403817 616115974 /nfs/dbraw/zinc/11/59/74/616115974.db2.gz RRSCWGLZYPRJHF-CQSZACIVSA-N 2 0 293.367 0.205 20 30 CCEDRP COC[C@@H](CCC[NH3+])[NH2+]CCNc1ccc(C#N)cn1 ZINC000925892422 616843927 /nfs/dbraw/zinc/84/39/27/616843927.db2.gz APYHMJZRUNFVKL-CYBMUJFWSA-N 2 0 277.372 0.709 20 30 CCEDRP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026044902 625324304 /nfs/dbraw/zinc/32/43/04/625324304.db2.gz UPCBNYGPLCWIAU-XPABHHOTSA-N 2 0 275.396 0.254 20 30 CCEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001026045741 625325741 /nfs/dbraw/zinc/32/57/41/625325741.db2.gz HWRIWCZLJOMJSD-ZSAUSMIDSA-N 2 0 275.396 0.254 20 30 CCEDRP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365532 623300323 /nfs/dbraw/zinc/30/03/23/623300323.db2.gz CEDZGAUZRUAFBO-KBPBESRZSA-N 2 0 263.385 0.685 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)COC ZINC000170910978 623813702 /nfs/dbraw/zinc/81/37/02/623813702.db2.gz YPVFGJZDXZWYAX-VXGBXAGGSA-N 2 0 256.394 0.658 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001022107066 624874274 /nfs/dbraw/zinc/87/42/74/624874274.db2.gz QEWJXJYUGCFZHG-RFQIPJPRSA-N 2 0 263.385 0.587 20 30 CCEDRP COC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000304753303 631849282 /nfs/dbraw/zinc/84/92/82/631849282.db2.gz KYCYLHWVOZZSHK-NSHDSACASA-N 2 0 272.393 0.036 20 30 CCEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303378599 632484843 /nfs/dbraw/zinc/48/48/43/632484843.db2.gz QBWKAHCTXQVBKA-STQMWFEESA-N 2 0 297.447 0.632 20 30 CCEDRP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261979799 633112514 /nfs/dbraw/zinc/11/25/14/633112514.db2.gz OQKSXNIMQGRBDO-MRVWCRGKSA-N 2 0 296.415 0.050 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000989681640 633344419 /nfs/dbraw/zinc/34/44/19/633344419.db2.gz FIBBCCLMTWRBBY-OLZOCXBDSA-N 2 0 261.369 0.294 20 30 CCEDRP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001009201565 650139166 /nfs/dbraw/zinc/13/91/66/650139166.db2.gz LDGPZZFEEDGOHV-CABCVRRESA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992432144 637405214 /nfs/dbraw/zinc/40/52/14/637405214.db2.gz POMYCKJKVPZUMH-PBHICJAKSA-N 2 0 287.407 0.829 20 30 CCEDRP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CN(CC)CCO2)CC1(C)C ZINC000996648364 638826448 /nfs/dbraw/zinc/82/64/48/638826448.db2.gz RMVXUKUIVKRDFG-KBPBESRZSA-N 2 0 295.427 0.720 20 30 CCEDRP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996919739 638844024 /nfs/dbraw/zinc/84/40/24/638844024.db2.gz AJDYXERMKXNYAO-KBPBESRZSA-N 2 0 277.412 0.931 20 30 CCEDRP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001000522400 639109586 /nfs/dbraw/zinc/10/95/86/639109586.db2.gz QZHYJZHCUOIXHY-HNNXBMFYSA-N 2 0 275.396 0.852 20 30 CCEDRP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001001447565 639304426 /nfs/dbraw/zinc/30/44/26/639304426.db2.gz CKRDOWDGAGISNI-CQSZACIVSA-N 2 0 261.369 0.320 20 30 CCEDRP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923479686 640158771 /nfs/dbraw/zinc/15/87/71/640158771.db2.gz RTCHUJUMQIJJAL-HIFRSBDPSA-N 2 0 289.379 0.969 20 30 CCEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000852861073 644028326 /nfs/dbraw/zinc/02/83/26/644028326.db2.gz ZHCPPTDJWDRVMJ-CQSZACIVSA-N 2 0 275.396 0.590 20 30 CCEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018835633 650914811 /nfs/dbraw/zinc/91/48/11/650914811.db2.gz LLDZOJJZWREJNE-UONOGXRCSA-N 2 0 263.385 0.683 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001019037365 650932735 /nfs/dbraw/zinc/93/27/35/650932735.db2.gz GIUSOSORCKITSS-AWEZNQCLSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001019382923 650967989 /nfs/dbraw/zinc/96/79/89/650967989.db2.gz PICUWNWHTRCGDD-OLZOCXBDSA-N 2 0 251.374 0.705 20 30 CCEDRP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@@H](C)[NH2+]1 ZINC000867966048 645690736 /nfs/dbraw/zinc/69/07/36/645690736.db2.gz LXJCKTWEQZVEDC-XHBSWPGZSA-N 2 0 298.390 0.954 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCC[NH2+]1 ZINC000867964436 645691566 /nfs/dbraw/zinc/69/15/66/645691566.db2.gz YNGUXPNEAUDVCS-HIFRSBDPSA-N 2 0 284.363 0.613 20 30 CCEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876517485 646617551 /nfs/dbraw/zinc/61/75/51/646617551.db2.gz SSTZDPSWVIRNOJ-SWLSCSKDSA-N 2 0 284.363 0.552 20 30 CCEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876803153 646670380 /nfs/dbraw/zinc/67/03/80/646670380.db2.gz UNMVZESXFCALLF-ZFWWWQNUSA-N 2 0 284.363 0.103 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877275464 646776905 /nfs/dbraw/zinc/77/69/05/646776905.db2.gz SUQNBLFXTXHYBF-XQQFMLRXSA-N 2 0 264.373 0.751 20 30 CCEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000303882326 649826176 /nfs/dbraw/zinc/82/61/76/649826176.db2.gz LHWODMXLTVJKKQ-ZIAGYGMSSA-N 2 0 281.448 0.715 20 30 CCEDRP C#CCC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001266282837 790396595 /nfs/dbraw/zinc/39/65/95/790396595.db2.gz UAYFBGAGBQHXOZ-UHFFFAOYSA-N 2 0 251.374 0.542 20 30 CCEDRP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210512828 790901665 /nfs/dbraw/zinc/90/16/65/790901665.db2.gz ABSXCOMEMFBASM-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C=CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001266619182 791044502 /nfs/dbraw/zinc/04/45/02/791044502.db2.gz BYFPPQQDBXKNEE-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723669892 791266588 /nfs/dbraw/zinc/26/65/88/791266588.db2.gz LQWMYRIMGISGIX-CYBMUJFWSA-N 2 0 251.374 0.858 20 30 CCEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001266950312 791385689 /nfs/dbraw/zinc/38/56/89/791385689.db2.gz TZXWMFAOBBTQDV-ZIAGYGMSSA-N 2 0 265.401 0.834 20 30 CCEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267130065 791575747 /nfs/dbraw/zinc/57/57/47/791575747.db2.gz CFEIXJZABRTKAL-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277908986 806315768 /nfs/dbraw/zinc/31/57/68/806315768.db2.gz WWNHTZCLBGWOOF-QWHCGFSZSA-N 2 0 251.374 0.540 20 30 CCEDRP C=C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246047839 807133394 /nfs/dbraw/zinc/13/33/94/807133394.db2.gz UMWXRIOAECKPGL-YRGRVCCFSA-N 2 0 268.357 0.008 20 30 CCEDRP C=CCCCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308916 806566898 /nfs/dbraw/zinc/56/68/98/806566898.db2.gz JADSUFXCOLGIRY-UHFFFAOYSA-N 2 0 270.421 0.459 20 30 CCEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278078570 806654222 /nfs/dbraw/zinc/65/42/22/806654222.db2.gz XLKRTILQRXZYOA-UONOGXRCSA-N 2 0 283.416 0.502 20 30 CCEDRP C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001120609082 798886973 /nfs/dbraw/zinc/88/69/73/798886973.db2.gz ZMBQSWQZVQGJLM-NEPJUHHUSA-N 2 0 251.374 0.444 20 30 CCEDRP C#CC[NH2+]CC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC001121983808 799113766 /nfs/dbraw/zinc/11/37/66/799113766.db2.gz VFMAFXOLJCAAFT-UHFFFAOYSA-N 2 0 289.379 0.466 20 30 CCEDRP CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C[NH+](C)C ZINC001122270568 799183477 /nfs/dbraw/zinc/18/34/77/799183477.db2.gz NXENNTRTWNVSPF-NEPJUHHUSA-N 2 0 270.377 0.090 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149848973 800302884 /nfs/dbraw/zinc/30/28/84/800302884.db2.gz QLOZMISAAFEVMP-GJZGRUSLSA-N 2 0 295.427 0.720 20 30 CCEDRP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150546313 800345723 /nfs/dbraw/zinc/34/57/23/800345723.db2.gz CGRIBJZCBMNDBC-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP COCC#CC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339732 800510837 /nfs/dbraw/zinc/51/08/37/800510837.db2.gz AQHZSNWPOFQQMT-UHFFFAOYSA-N 2 0 281.400 0.218 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)COC)CC1 ZINC001152330793 800511536 /nfs/dbraw/zinc/51/15/36/800511536.db2.gz VDOYXSGLIVLCRX-ZDUSSCGKSA-N 2 0 281.400 0.072 20 30 CCEDRP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001157937048 801531737 /nfs/dbraw/zinc/53/17/37/801531737.db2.gz OFHWBNIISXWIPG-INIZCTEOSA-N 2 0 298.390 0.770 20 30 CCEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158404778 801637500 /nfs/dbraw/zinc/63/75/00/801637500.db2.gz YPGBANBXVUYCRV-UONOGXRCSA-N 2 0 265.401 0.836 20 30 CCEDRP COCC#CC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853299 801879967 /nfs/dbraw/zinc/87/99/67/801879967.db2.gz BUNVPHVMOWRQGS-UHFFFAOYSA-N 2 0 281.400 0.216 20 30 CCEDRP N#C[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001160640551 801985422 /nfs/dbraw/zinc/98/54/22/801985422.db2.gz HGVCVOFBYUZRNN-STQMWFEESA-N 2 0 276.384 0.623 20 30 CCEDRP CC#CC[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160952042 802053014 /nfs/dbraw/zinc/05/30/14/802053014.db2.gz VQDPFMUFNPBATL-UHFFFAOYSA-N 2 0 295.427 0.464 20 30 CCEDRP C[C@@H](C#N)N(C)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161144136 802100694 /nfs/dbraw/zinc/10/06/94/802100694.db2.gz IIWZTJNIVGGGJF-QWRGUYRKSA-N 2 0 250.346 0.231 20 30 CCEDRP C=CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001280172551 810008051 /nfs/dbraw/zinc/00/80/51/810008051.db2.gz HYWDXOSSTHZIQL-ZDUSSCGKSA-N 2 0 253.390 0.952 20 30 CCEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851830 802970930 /nfs/dbraw/zinc/97/09/30/802970930.db2.gz HXUIKMALUZISME-OLZOCXBDSA-N 2 0 298.431 0.113 20 30 CCEDRP C#CC[NH2+]CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001206061524 803201231 /nfs/dbraw/zinc/20/12/31/803201231.db2.gz LDHCZOWLKPEDOZ-UHFFFAOYSA-N 2 0 277.412 0.790 20 30 CCEDRP C=CCC[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206872620 803296858 /nfs/dbraw/zinc/29/68/58/803296858.db2.gz MDEXUXLSCFCZRI-UHFFFAOYSA-N 2 0 297.443 0.969 20 30 CCEDRP COC(=O)C1(C#N)CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207441441 803401328 /nfs/dbraw/zinc/40/13/28/803401328.db2.gz CERIJTKAEUKYIH-UHFFFAOYSA-N 2 0 265.357 0.765 20 30 CCEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207539039 803414723 /nfs/dbraw/zinc/41/47/23/803414723.db2.gz XYEAOWHVPWOANG-CHWSQXEVSA-N 2 0 263.385 0.540 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697937 803438378 /nfs/dbraw/zinc/43/83/78/803438378.db2.gz OFVWKDOZFSUJOC-MGPQQGTHSA-N 2 0 265.401 0.786 20 30 CCEDRP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208413867 803513111 /nfs/dbraw/zinc/51/31/11/803513111.db2.gz CLZNFMRMBJANQG-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001276607292 803563111 /nfs/dbraw/zinc/56/31/11/803563111.db2.gz IKJNVVCJNQSESB-LBPRGKRZSA-N 2 0 253.390 0.951 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399842 803693070 /nfs/dbraw/zinc/69/30/70/803693070.db2.gz NOPGFSFELCKPBX-RBSFLKMASA-N 2 0 297.443 0.964 20 30 CCEDRP C=C1CC[NH2+]C[C@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217833434 803916556 /nfs/dbraw/zinc/91/65/56/803916556.db2.gz WFWKPLHOHQTMDZ-RQJABVFESA-N 2 0 252.358 0.688 20 30 CCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218542835 803996029 /nfs/dbraw/zinc/99/60/29/803996029.db2.gz OPKKTSGCOKQKQL-NSHDSACASA-N 2 0 284.323 0.506 20 30 CCEDRP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218544235 803998299 /nfs/dbraw/zinc/99/82/99/803998299.db2.gz KWGSDDSPLYMKEC-LBPRGKRZSA-N 2 0 298.350 0.896 20 30 CCEDRP CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001218582314 804021072 /nfs/dbraw/zinc/02/10/72/804021072.db2.gz WEIYLULYBGAPFW-LBPRGKRZSA-N 2 0 299.378 0.630 20 30 CCEDRP N#Cc1sccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218624825 804040085 /nfs/dbraw/zinc/04/00/85/804040085.db2.gz OXXYAUMDIHYLAU-QMMMGPOBSA-N 2 0 262.338 0.367 20 30 CCEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219112437 804204654 /nfs/dbraw/zinc/20/46/54/804204654.db2.gz HCNFWNZADKYDNG-NSHDSACASA-N 2 0 288.326 0.753 20 30 CCEDRP Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219112436 804204708 /nfs/dbraw/zinc/20/47/08/804204708.db2.gz HCNFWNZADKYDNG-LLVKDONJSA-N 2 0 288.326 0.753 20 30 CCEDRP N#CCc1cc(NC(=O)[C@H]([NH3+])CCC[NH3+])ccc1F ZINC001219518440 804333899 /nfs/dbraw/zinc/33/38/99/804333899.db2.gz KYYKGGBWYOXMJL-GFCCVEGCSA-N 2 0 264.304 0.896 20 30 CCEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719969 804414261 /nfs/dbraw/zinc/41/42/61/804414261.db2.gz BRKNAPJDFRMSRF-SDDRHHMPSA-N 2 0 255.362 0.293 20 30 CCEDRP C[NH2+]CCNC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220053050 804486541 /nfs/dbraw/zinc/48/65/41/804486541.db2.gz PSSKDWVCYXICAO-ZDUSSCGKSA-N 2 0 260.341 0.154 20 30 CCEDRP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236621 804545273 /nfs/dbraw/zinc/54/52/73/804545273.db2.gz ARQZSSITEOUXIQ-KFWWJZLASA-N 2 0 297.443 0.844 20 30 CCEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345228 804580167 /nfs/dbraw/zinc/58/01/67/804580167.db2.gz RYALFTONQQIZKD-KFWWJZLASA-N 2 0 297.443 0.844 20 30 CCEDRP C#Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001220381591 804589493 /nfs/dbraw/zinc/58/94/93/804589493.db2.gz LNMFBWAKIZXLFF-AWEZNQCLSA-N 2 0 269.348 0.093 20 30 CCEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220831138 804676908 /nfs/dbraw/zinc/67/69/08/804676908.db2.gz PZDGXFCLNRJUIF-OLZOCXBDSA-N 2 0 269.389 0.066 20 30 CCEDRP C#C[C@](C)([NH3+])C(=O)N(CC[NH3+])Cc1ccc(CC)cc1 ZINC001220905097 804699306 /nfs/dbraw/zinc/69/93/06/804699306.db2.gz PVADYFLBUCBFEK-INIZCTEOSA-N 2 0 273.380 0.887 20 30 CCEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001220979038 804711949 /nfs/dbraw/zinc/71/19/49/804711949.db2.gz BOELHZLHYNLXHC-KGLIPLIRSA-N 2 0 292.383 0.319 20 30 CCEDRP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001276957592 805014744 /nfs/dbraw/zinc/01/47/44/805014744.db2.gz YVTNKKNJLFUGRM-MGPQQGTHSA-N 2 0 281.400 0.378 20 30 CCEDRP C=CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224325739 805028300 /nfs/dbraw/zinc/02/83/00/805028300.db2.gz GYLGZMUDHKGVBI-UHFFFAOYSA-N 2 0 253.390 0.952 20 30 CCEDRP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001277092553 805187799 /nfs/dbraw/zinc/18/77/99/805187799.db2.gz GYSMJLOHAZNIMF-SHTZXODSSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCOC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246019736 807118306 /nfs/dbraw/zinc/11/83/06/807118306.db2.gz JNEVBIIJHUANPB-HZSPNIEDSA-N 2 0 254.374 0.304 20 30 CCEDRP N#Cc1ccc(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246199650 807185259 /nfs/dbraw/zinc/18/52/59/807185259.db2.gz YIQNKQHPVSBRPS-CYBMUJFWSA-N 2 0 269.352 0.358 20 30 CCEDRP N#Cc1cccc(OCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246324795 807221908 /nfs/dbraw/zinc/22/19/08/807221908.db2.gz HGLQJYZBQPRAHC-CQSZACIVSA-N 2 0 286.379 0.621 20 30 CCEDRP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278499711 807506775 /nfs/dbraw/zinc/50/67/75/807506775.db2.gz WWHGOKDWESXINH-RDJZCZTQSA-N 2 0 289.423 0.790 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001278613711 807623035 /nfs/dbraw/zinc/62/30/35/807623035.db2.gz NFYHUROCKNIPLH-HUUCEWRRSA-N 2 0 277.412 0.980 20 30 CCEDRP C#CCOC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001251854586 807721958 /nfs/dbraw/zinc/72/19/58/807721958.db2.gz HNXMDZDCEPAWCU-KGLIPLIRSA-N 2 0 252.358 0.025 20 30 CCEDRP C=CCOC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001252464320 807875867 /nfs/dbraw/zinc/87/58/67/807875867.db2.gz WXBDNUSRCYQYAO-RDBSUJKOSA-N 2 0 254.374 0.433 20 30 CCEDRP C=CCC[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252599987 807917814 /nfs/dbraw/zinc/91/78/14/807917814.db2.gz SLWRBCMWILRGBT-AWEZNQCLSA-N 2 0 257.422 0.739 20 30 CCEDRP [NH2+]=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ncc[nH]1 ZINC001252945100 807988149 /nfs/dbraw/zinc/98/81/49/807988149.db2.gz XSKAMMIUHSPWEJ-INIZCTEOSA-N 2 0 299.378 0.752 20 30 CCEDRP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853224 808563065 /nfs/dbraw/zinc/56/30/65/808563065.db2.gz ZUPNKMFQUGXCQY-FZMZJTMJSA-N 2 0 290.367 0.876 20 30 CCEDRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001261552564 809019260 /nfs/dbraw/zinc/01/92/60/809019260.db2.gz VTHSSOQLXSWYKA-QJPTWQEYSA-N 2 0 252.362 0.593 20 30 CCEDRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC001262636300 809381039 /nfs/dbraw/zinc/38/10/39/809381039.db2.gz OZGDIFIZUKRYSP-AWEZNQCLSA-N 2 0 265.401 0.788 20 30 CCEDRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC001263105447 809446197 /nfs/dbraw/zinc/44/61/97/809446197.db2.gz ONWFCVCSRSLIKG-RWMBFGLXSA-N 2 0 264.373 0.336 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001263864069 809592448 /nfs/dbraw/zinc/59/24/48/809592448.db2.gz NGHMRZVFOHJXIP-JOCQHMNTSA-N 2 0 263.385 0.588 20 30 CCEDRP COCC#CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265058139 809701212 /nfs/dbraw/zinc/70/12/12/809701212.db2.gz JYTDPMUFJZBIHJ-HNNXBMFYSA-N 2 0 295.427 0.416 20 30 CCEDRP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001265230653 809727848 /nfs/dbraw/zinc/72/78/48/809727848.db2.gz JQKLLGQSBMZAIX-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001265459951 809783799 /nfs/dbraw/zinc/78/37/99/809783799.db2.gz RVOJASUHJVLSOU-AWEZNQCLSA-N 2 0 283.416 0.720 20 30 CCEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266224928 809966900 /nfs/dbraw/zinc/96/69/00/809966900.db2.gz GMTJDISLJBBLRC-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP C#CCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCC1 ZINC001280499902 810027092 /nfs/dbraw/zinc/02/70/92/810027092.db2.gz UCDVTXCXLOMJPQ-UHFFFAOYSA-N 2 0 265.401 0.980 20 30 CCEDRP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274327 811427981 /nfs/dbraw/zinc/42/79/81/811427981.db2.gz HPJXGNGJKTVABQ-SOUVJXGZSA-N 2 0 293.411 0.426 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268014622 811952526 /nfs/dbraw/zinc/95/25/26/811952526.db2.gz VMVMIRDKAJBJLI-HUUCEWRRSA-N 2 0 297.443 0.873 20 30 CCEDRP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268054923 812146077 /nfs/dbraw/zinc/14/60/77/812146077.db2.gz MUXUCCJGIRTWBG-ZIAGYGMSSA-N 2 0 281.400 0.167 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001268098830 812257511 /nfs/dbraw/zinc/25/75/11/812257511.db2.gz JFRNUZATCGWDIV-CYBMUJFWSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001268226195 812382720 /nfs/dbraw/zinc/38/27/20/812382720.db2.gz FEQYVYGVASINOW-OLZOCXBDSA-N 2 0 251.374 0.302 20 30 CCEDRP C=CCNC(=O)c1ccc(NC(=[NH2+])NCCCC[NH3+])nc1 ZINC001167880406 812394232 /nfs/dbraw/zinc/39/42/32/812394232.db2.gz LRUPBIDAZBRLNV-UHFFFAOYSA-N 2 0 290.371 0.673 20 30 CCEDRP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075619638 812474817 /nfs/dbraw/zinc/47/48/17/812474817.db2.gz KIENXJALHARWLM-SOUVJXGZSA-N 2 0 275.396 0.637 20 30 CCEDRP C#CCC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268614779 812949028 /nfs/dbraw/zinc/94/90/28/812949028.db2.gz YHVJIPNQFGRMTD-GJBLVYBDSA-N 2 0 263.385 0.614 20 30 CCEDRP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001268688314 813010075 /nfs/dbraw/zinc/01/00/75/813010075.db2.gz ZWTOTXOVAXBWRN-NWDGAFQWSA-N 2 0 257.353 0.394 20 30 CCEDRP C#CCC[NH2+]CCCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001268956959 813158448 /nfs/dbraw/zinc/15/84/48/813158448.db2.gz BNOMDBVDGZJDBE-UHFFFAOYSA-N 2 0 289.423 0.793 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028933957 813673929 /nfs/dbraw/zinc/67/39/29/813673929.db2.gz VDQCYBFXAQSQTI-AWEZNQCLSA-N 2 0 275.396 0.544 20 30 CCEDRP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001271146945 814208452 /nfs/dbraw/zinc/20/84/52/814208452.db2.gz YVTIRBADVSDSTA-IIAWOOMASA-N 2 0 295.427 0.456 20 30 CCEDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(C#N)ccn1 ZINC001232480812 816163616 /nfs/dbraw/zinc/16/36/16/816163616.db2.gz LKMOVBMLFULGKW-UHFFFAOYSA-N 2 0 275.400 0.878 20 30 CCEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089038913 816220914 /nfs/dbraw/zinc/22/09/14/816220914.db2.gz PNPAQLJLVUCXSO-RDBSUJKOSA-N 2 0 263.385 0.540 20 30 CCEDRP C=CCCN1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030964311 816511994 /nfs/dbraw/zinc/51/19/94/816511994.db2.gz ULHPECPBGJFZGZ-DGCLKSJQSA-N 2 0 251.374 0.561 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106139546 816541814 /nfs/dbraw/zinc/54/18/14/816541814.db2.gz YNPXQICIBUOFTA-FVQBIDKESA-N 2 0 289.423 0.646 20 30 CCEDRP CC#CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001280544555 816562622 /nfs/dbraw/zinc/56/26/22/816562622.db2.gz BMXDGMVKYUSDIR-UHFFFAOYSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]1C ZINC001106199005 816640058 /nfs/dbraw/zinc/64/00/58/816640058.db2.gz WCICZOZDVQLWSW-KFWWJZLASA-N 2 0 297.418 0.984 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666733 816843888 /nfs/dbraw/zinc/84/38/88/816843888.db2.gz SATFRYJNIGAROC-RBSFLKMASA-N 2 0 277.412 0.646 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC(C)C)C2)CC1 ZINC001031435171 817054917 /nfs/dbraw/zinc/05/49/17/817054917.db2.gz RXDPQISEALCAJL-UHFFFAOYSA-N 2 0 277.412 0.788 20 30 CCEDRP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031858888 817422963 /nfs/dbraw/zinc/42/29/63/817422963.db2.gz KIKFIPZZNJTKHR-CXOJTPOUSA-N 2 0 291.395 0.084 20 30 CCEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031921280 817464580 /nfs/dbraw/zinc/46/45/80/817464580.db2.gz LXZVPLSYMQXEFA-HNNXBMFYSA-N 2 0 293.411 0.167 20 30 CCEDRP C#CCN1CC[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031015 818488452 /nfs/dbraw/zinc/48/84/52/818488452.db2.gz SPAJBPSXIFEZAB-INIZCTEOSA-N 2 0 275.396 0.544 20 30 CCEDRP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659867 818881831 /nfs/dbraw/zinc/88/18/31/818881831.db2.gz ZIDKGCGXVHFZCJ-CQSZACIVSA-N 2 0 263.385 0.638 20 30 CCEDRP C#CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528275 819231413 /nfs/dbraw/zinc/23/14/13/819231413.db2.gz LKHKFCKUSNJNNH-CQSZACIVSA-N 2 0 263.385 0.686 20 30 CCEDRP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035313018 819463593 /nfs/dbraw/zinc/46/35/93/819463593.db2.gz LWZFZVGJYRHTET-CABCVRRESA-N 2 0 295.427 0.864 20 30 CCEDRP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707930 820456331 /nfs/dbraw/zinc/45/63/31/820456331.db2.gz ZQHZUCQTRDKGBC-VNQPRFMTSA-N 2 0 289.423 0.788 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726209 820459913 /nfs/dbraw/zinc/45/99/13/820459913.db2.gz IWEVDUPIDGEJGF-KBUPBQIOSA-N 2 0 277.412 0.786 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001273201695 820566293 /nfs/dbraw/zinc/56/62/93/820566293.db2.gz NIQYVXUBSOBJBV-UHFFFAOYSA-N 2 0 251.374 0.897 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080442587 820578543 /nfs/dbraw/zinc/57/85/43/820578543.db2.gz GIPXGAKSLKGTGD-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328878 820936417 /nfs/dbraw/zinc/93/64/17/820936417.db2.gz PVBLUHHDMUKZFT-ZIAGYGMSSA-N 2 0 293.411 0.474 20 30 CCEDRP C#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084773142 821386965 /nfs/dbraw/zinc/38/69/65/821386965.db2.gz FBIQYVKAWXWYNR-RBSFLKMASA-N 2 0 275.396 0.494 20 30 CCEDRP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CN(CC)CCO1 ZINC001085428913 821683214 /nfs/dbraw/zinc/68/32/14/821683214.db2.gz XLJLUYGDVNTTHW-RBSFLKMASA-N 2 0 293.411 0.357 20 30 CCEDRP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099988308 821868945 /nfs/dbraw/zinc/86/89/45/821868945.db2.gz GOYTXTOOFLYXAR-ZIAGYGMSSA-N 2 0 283.416 0.456 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC)CC1 ZINC001085986718 822051696 /nfs/dbraw/zinc/05/16/96/822051696.db2.gz LMHVNNSFXBBDOT-OAHLLOKOSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086085559 822105395 /nfs/dbraw/zinc/10/53/95/822105395.db2.gz JHOHKKUZDBVSBE-LVQVYYBASA-N 2 0 289.423 0.978 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001086365230 822225404 /nfs/dbraw/zinc/22/54/04/822225404.db2.gz JHOHKKUZDBVSBE-YHUYYLMFSA-N 2 0 289.423 0.978 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083126 822254976 /nfs/dbraw/zinc/25/49/76/822254976.db2.gz NPCHEFHSPDLUQI-HUUCEWRRSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100110685 822309875 /nfs/dbraw/zinc/30/98/75/822309875.db2.gz ZORIITGPWZIELW-HUUCEWRRSA-N 2 0 295.427 0.600 20 30 CCEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130478221 837802296 /nfs/dbraw/zinc/80/22/96/837802296.db2.gz WDZLFSXOFCBPLZ-GFCCVEGCSA-N 2 0 262.357 0.727 20 30 CCEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175055908 842227495 /nfs/dbraw/zinc/22/74/95/842227495.db2.gz JQUKWYLDSUMLHO-CYBMUJFWSA-N 2 0 253.390 0.836 20 30 CCEDRP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398342 835999684 /nfs/dbraw/zinc/99/96/84/835999684.db2.gz GJZHJMVFCUKYOD-MRXNPFEDSA-N 2 0 295.427 0.865 20 30 CCEDRP C#CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426308 838392439 /nfs/dbraw/zinc/39/24/39/838392439.db2.gz VLXVGDFLRKMGFN-CABCVRRESA-N 2 0 295.427 0.557 20 30 CCEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685079 838696120 /nfs/dbraw/zinc/69/61/20/838696120.db2.gz PLIOKTXGPYLEMW-ZDUSSCGKSA-N 2 0 298.431 0.115 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133856748 838751640 /nfs/dbraw/zinc/75/16/40/838751640.db2.gz PGYXVAFVVLWZDJ-OAHLLOKOSA-N 2 0 283.391 0.928 20 30 CCEDRP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1C ZINC001185379112 844405331 /nfs/dbraw/zinc/40/53/31/844405331.db2.gz AEEQYGNHKMVCBQ-OLZOCXBDSA-N 2 0 274.368 0.660 20 30 CCEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102957 839162119 /nfs/dbraw/zinc/16/21/19/839162119.db2.gz RAKORVJXCSPEFF-KGLIPLIRSA-N 2 0 263.385 0.732 20 30 CCEDRP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135923126 839472622 /nfs/dbraw/zinc/47/26/22/839472622.db2.gz HMQADOGFMZTIDO-KGLIPLIRSA-N 2 0 283.416 0.461 20 30 CCEDRP N#Cc1ncc(N[C@@H]([NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC001170900170 839547392 /nfs/dbraw/zinc/54/73/92/839547392.db2.gz POBOBPYJSJAXCC-SNVBAGLBSA-N 2 0 250.262 0.297 20 30 CCEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731656 839761171 /nfs/dbraw/zinc/76/11/71/839761171.db2.gz UMSBXRKGLFCZMD-KGLIPLIRSA-N 2 0 293.411 0.210 20 30 CCEDRP C=CCOC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCC[NH2+]C1 ZINC001246313748 839783967 /nfs/dbraw/zinc/78/39/67/839783967.db2.gz SRNCXKFHRFRZAB-OLZOCXBDSA-N 2 0 269.389 0.555 20 30 CCEDRP COC(=O)[C@H](C[NH3+])C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171184632 840053241 /nfs/dbraw/zinc/05/32/41/840053241.db2.gz NRMOTJUWNHDVEF-BXUZGUMPSA-N 2 0 275.352 0.827 20 30 CCEDRP C#CC[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001091119279 840055253 /nfs/dbraw/zinc/05/52/53/840055253.db2.gz WZRQOTDQQLCEFS-UHFFFAOYSA-N 2 0 275.396 0.732 20 30 CCEDRP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682994 840753278 /nfs/dbraw/zinc/75/32/78/840753278.db2.gz BEZRTVYVQBEGJI-ANQUJSFKSA-N 2 0 289.423 0.740 20 30 CCEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092504475 841029730 /nfs/dbraw/zinc/02/97/30/841029730.db2.gz PIACVPHHERCFNJ-MGPQQGTHSA-N 2 0 263.385 0.398 20 30 CCEDRP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCn3ccnc3)CC[C@H]21 ZINC001036786310 841217800 /nfs/dbraw/zinc/21/78/00/841217800.db2.gz SQTIWKXMHGGCIW-LSDHHAIUSA-N 2 0 286.379 0.829 20 30 CCEDRP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193461120 846081318 /nfs/dbraw/zinc/08/13/18/846081318.db2.gz FIHCDDRBSFJGQV-CYBMUJFWSA-N 2 0 269.389 0.283 20 30 CCEDRP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193621229 846128833 /nfs/dbraw/zinc/12/88/33/846128833.db2.gz DYWLOXOFEFDQDZ-CYBMUJFWSA-N 2 0 251.374 0.494 20 30 CCEDRP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001196177379 846700787 /nfs/dbraw/zinc/70/07/87/846700787.db2.gz XUFPQDXZPZIDMB-RRFJBIMHSA-N 2 0 295.427 0.456 20 30 CCEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198047978 847026524 /nfs/dbraw/zinc/02/65/24/847026524.db2.gz PZDGXFCLNRJUIF-CHWSQXEVSA-N 2 0 269.389 0.066 20 30 CCEDRP C#CC[NH2+]CCN(CC)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001273766333 847118563 /nfs/dbraw/zinc/11/85/63/847118563.db2.gz XQWVVXBRFGFNMF-ZIAGYGMSSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152457511 847119784 /nfs/dbraw/zinc/11/97/84/847119784.db2.gz GPDCLGDYNITTOQ-ZDUSSCGKSA-N 2 0 251.374 0.590 20 30 CCEDRP C#CCC[NH2+]C1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC001200292758 847599327 /nfs/dbraw/zinc/59/93/27/847599327.db2.gz VLYJBAHNFLJACE-UHFFFAOYSA-N 2 0 274.368 0.946 20 30 CCEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200794644 847694659 /nfs/dbraw/zinc/69/46/59/847694659.db2.gz DGAFRYTTYSSIPN-UONOGXRCSA-N 2 0 281.400 0.167 20 30 CCEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201677869 847799910 /nfs/dbraw/zinc/79/99/10/847799910.db2.gz FSTQFXYEZYCBNU-OAHLLOKOSA-N 2 0 295.427 0.559 20 30 CCEDRP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001201864363 847819091 /nfs/dbraw/zinc/81/90/91/847819091.db2.gz WEVGPOFVWXLBPH-CABCVRRESA-N 2 0 295.427 0.721 20 30 CCEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114460837 848073413 /nfs/dbraw/zinc/07/34/13/848073413.db2.gz HSLKPJBGIYWMAX-XQHKEYJVSA-N 2 0 251.374 0.559 20 30 CCEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001274985968 848608014 /nfs/dbraw/zinc/60/80/14/848608014.db2.gz ILBJSAOSZGDCLS-OLZOCXBDSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275259427 848679577 /nfs/dbraw/zinc/67/95/77/848679577.db2.gz TUNZAERSGZCNTH-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001275720706 848800887 /nfs/dbraw/zinc/80/08/87/848800887.db2.gz LORIILDPRYJQRI-OLZOCXBDSA-N 2 0 253.390 0.951 20 30 CCEDRP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001275977129 848879109 /nfs/dbraw/zinc/87/91/09/848879109.db2.gz NJBUGKBJGDGKCD-QWHCGFSZSA-N 2 0 253.390 0.786 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CC2)CC1 ZINC001039042012 850136396 /nfs/dbraw/zinc/13/63/96/850136396.db2.gz LCJYXLCONKBEGK-MRXNPFEDSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001045639197 851290661 /nfs/dbraw/zinc/29/06/61/851290661.db2.gz CXIHBCGRDVZKAT-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323046 851466016 /nfs/dbraw/zinc/46/60/16/851466016.db2.gz FLVGWYASSCBBER-GOEBONIOSA-N 2 0 275.396 0.542 20 30 CCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046322905 851466818 /nfs/dbraw/zinc/46/68/18/851466818.db2.gz DMEDUUYXJBOUKF-WBVHZDCISA-N 2 0 289.423 0.932 20 30 CCEDRP C#CCC[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046776300 851612735 /nfs/dbraw/zinc/61/27/35/851612735.db2.gz CYSMJTQLWBQXQO-HNNXBMFYSA-N 2 0 275.396 0.686 20 30 CCEDRP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C1 ZINC001048740110 852041935 /nfs/dbraw/zinc/04/19/35/852041935.db2.gz RYNPLFBXGIFXCG-ZNMIVQPWSA-N 2 0 293.411 0.283 20 30 CCEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001491566720 904086433 /nfs/dbraw/zinc/08/64/33/904086433.db2.gz TYMINEYDRWPNON-GFCCVEGCSA-N 2 0 253.390 0.999 20 30 CCEDRP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049217650 852195365 /nfs/dbraw/zinc/19/53/65/852195365.db2.gz WQPMSSVJZRPBPZ-GASCZTMLSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001049215257 852195589 /nfs/dbraw/zinc/19/55/89/852195589.db2.gz QDRIUCCXBOYQNK-OKILXGFUSA-N 2 0 263.385 0.658 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC)CC1 ZINC001317295376 909120945 /nfs/dbraw/zinc/12/09/45/909120945.db2.gz XJXRIPUAQLRVKT-GFCCVEGCSA-N 2 0 251.374 0.446 20 30 CCEDRP C#CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001054789671 853014382 /nfs/dbraw/zinc/01/43/82/853014382.db2.gz GBSQRCFRWZIPMQ-GJZGRUSLSA-N 2 0 289.423 0.932 20 30 CCEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813618 854470780 /nfs/dbraw/zinc/47/07/80/854470780.db2.gz YWISKQGZBWFAEL-AWEZNQCLSA-N 2 0 275.396 0.494 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072981280 854506283 /nfs/dbraw/zinc/50/62/83/854506283.db2.gz CGVMIMMKSWNOEU-LSDHHAIUSA-N 2 0 289.423 0.742 20 30 CCEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073426043 854558087 /nfs/dbraw/zinc/55/80/87/854558087.db2.gz OVDSUXZSXOSQDP-CQSZACIVSA-N 2 0 275.396 0.496 20 30 CCEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073753398 854639808 /nfs/dbraw/zinc/63/98/08/854639808.db2.gz WDLXJAVOMKCEPP-HNNXBMFYSA-N 2 0 295.427 0.721 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100066096 855089544 /nfs/dbraw/zinc/08/95/44/855089544.db2.gz CAIYWLFMIUFCEY-UONOGXRCSA-N 2 0 283.416 0.456 20 30 CCEDRP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100066094 855090852 /nfs/dbraw/zinc/09/08/52/855090852.db2.gz CAIYWLFMIUFCEY-KBPBESRZSA-N 2 0 283.416 0.456 20 30 CCEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064701 855091049 /nfs/dbraw/zinc/09/10/49/855091049.db2.gz QCTYMBWFJILXGL-CABCVRRESA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076766 855095049 /nfs/dbraw/zinc/09/50/49/855095049.db2.gz QWLRWLDZEAYYIM-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100084830 855098591 /nfs/dbraw/zinc/09/85/91/855098591.db2.gz BPOPRNRGZSDFPW-GJZGRUSLSA-N 2 0 297.443 0.846 20 30 CCEDRP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185589 855113615 /nfs/dbraw/zinc/11/36/15/855113615.db2.gz HCEGDXSPQBOOOV-NRXISQOPSA-N 2 0 293.411 0.215 20 30 CCEDRP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001100410896 855163023 /nfs/dbraw/zinc/16/30/23/855163023.db2.gz SAIQMAJNLHMGCQ-UHFFFAOYSA-N 2 0 277.412 0.978 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001100678335 855208783 /nfs/dbraw/zinc/20/87/83/855208783.db2.gz HNBPQAVNQOMQAY-IYXRBSQSSA-N 2 0 265.401 0.999 20 30 CCEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001100986321 855251081 /nfs/dbraw/zinc/25/10/81/855251081.db2.gz QNOQXANCLZIWRJ-NFOMZHRRSA-N 2 0 295.427 0.625 20 30 CCEDRP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111860998 855600614 /nfs/dbraw/zinc/60/06/14/855600614.db2.gz NRSBBCQAWQJOQK-ZFWWWQNUSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001120496903 857093276 /nfs/dbraw/zinc/09/32/76/857093276.db2.gz NBSMROYWQJROAB-ZDUSSCGKSA-N 2 0 265.401 0.836 20 30 CCEDRP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001481816072 893179368 /nfs/dbraw/zinc/17/93/68/893179368.db2.gz JELWVEYGECRPEU-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001482055841 893335214 /nfs/dbraw/zinc/33/52/14/893335214.db2.gz JCZUBIKJAZWASM-QLFBSQMISA-N 2 0 277.412 0.931 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001482220400 893597371 /nfs/dbraw/zinc/59/73/71/893597371.db2.gz XOSKKWPFCXFWEP-HNNXBMFYSA-N 2 0 289.423 0.980 20 30 CCEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001482237013 893630847 /nfs/dbraw/zinc/63/08/47/893630847.db2.gz QGBVIOMNILRJJA-ZDUSSCGKSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)CC ZINC001482351750 893905799 /nfs/dbraw/zinc/90/57/99/893905799.db2.gz XEMAOPWHLVSYQH-CYBMUJFWSA-N 2 0 253.390 0.788 20 30 CCEDRP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482366157 893921495 /nfs/dbraw/zinc/92/14/95/893921495.db2.gz OVMPNQPUQARUSU-HUUCEWRRSA-N 2 0 295.427 0.415 20 30 CCEDRP COCC#CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001482625154 894429738 /nfs/dbraw/zinc/42/97/38/894429738.db2.gz LEQPTJMTOYESEB-UHFFFAOYSA-N 2 0 295.427 0.368 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840282 894645353 /nfs/dbraw/zinc/64/53/53/894645353.db2.gz SZCWFTZXHRIYQT-ZDUSSCGKSA-N 2 0 265.401 0.978 20 30 CCEDRP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380368 895522045 /nfs/dbraw/zinc/52/20/45/895522045.db2.gz HZRAKNUWGXCCAT-CHWSQXEVSA-N 2 0 253.390 0.642 20 30 CCEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001483791320 896052654 /nfs/dbraw/zinc/05/26/54/896052654.db2.gz UBWFEWGXUKCVQT-ZDUSSCGKSA-N 2 0 281.400 0.379 20 30 CCEDRP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001483924763 896119049 /nfs/dbraw/zinc/11/90/49/896119049.db2.gz LKMFHNOAXBUANN-ZIAGYGMSSA-N 2 0 263.385 0.685 20 30 CCEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001484236847 896269485 /nfs/dbraw/zinc/26/94/85/896269485.db2.gz SHSMHLYGGPJGED-GOEBONIOSA-N 2 0 295.427 0.293 20 30 CCEDRP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001484252886 896287832 /nfs/dbraw/zinc/28/78/32/896287832.db2.gz XXJBEDCKJSTLSF-DZGCQCFKSA-N 2 0 281.400 0.067 20 30 CCEDRP C=CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484450610 896411141 /nfs/dbraw/zinc/41/11/41/896411141.db2.gz UBQIPIIVQCOTKR-UKRRQHHQSA-N 2 0 281.400 0.067 20 30 CCEDRP C=CCC[NH+]1CCC[C@](CO)(NC(=O)CC[N@@H+](C)CC)C1 ZINC001484446684 896416161 /nfs/dbraw/zinc/41/61/61/896416161.db2.gz TVUGBQMSWXZRQV-INIZCTEOSA-N 2 0 297.443 0.847 20 30 CCEDRP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484852562 896630109 /nfs/dbraw/zinc/63/01/09/896630109.db2.gz AMBHRYKGHMRIER-HNNXBMFYSA-N 2 0 281.400 0.211 20 30 CCEDRP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001484866609 896634621 /nfs/dbraw/zinc/63/46/21/896634621.db2.gz RSUVZPJYWNKANL-CQSZACIVSA-N 2 0 293.411 0.359 20 30 CCEDRP C#CCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484906204 896661217 /nfs/dbraw/zinc/66/12/17/896661217.db2.gz KBXFOFCCMJVPSR-KBPBESRZSA-N 2 0 263.385 0.542 20 30 CCEDRP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001485705887 897187520 /nfs/dbraw/zinc/18/75/20/897187520.db2.gz NWMVUZPFRPGRNY-HDJSIYSDSA-N 2 0 263.385 0.590 20 30 CCEDRP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272782305 897666327 /nfs/dbraw/zinc/66/63/27/897666327.db2.gz NHEGUSZYIPNSQP-DZGCQCFKSA-N 2 0 277.412 0.836 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001326879118 914248448 /nfs/dbraw/zinc/24/84/48/914248448.db2.gz IUXWPBTUIZJGTP-RYUDHWBXSA-N 2 0 252.362 0.595 20 30 CCEDRP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486277153 898735916 /nfs/dbraw/zinc/73/59/16/898735916.db2.gz DHBLVRFYJOKNBD-MGPQQGTHSA-N 2 0 283.416 0.312 20 30 CCEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001486351764 898809901 /nfs/dbraw/zinc/80/99/01/898809901.db2.gz YCUMKYTYQFHCFC-HNNXBMFYSA-N 2 0 297.443 0.655 20 30 CCEDRP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001486358803 898815596 /nfs/dbraw/zinc/81/55/96/898815596.db2.gz KBSSJLHTTZIZCK-CQSZACIVSA-N 2 0 294.399 0.519 20 30 CCEDRP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001490458663 900643952 /nfs/dbraw/zinc/64/39/52/900643952.db2.gz PXDOXBIBMPPRLW-CQSZACIVSA-N 2 0 265.401 0.931 20 30 CCEDRP CC#CC[NH2+][C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001490700380 900710333 /nfs/dbraw/zinc/71/03/33/900710333.db2.gz SLVAVUDDRPMEKT-CQSZACIVSA-N 2 0 277.412 0.836 20 30 CCEDRP C=C(C)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317656133 900744069 /nfs/dbraw/zinc/74/40/69/900744069.db2.gz UPVSONQQRGXHQA-CYBMUJFWSA-N 2 0 253.390 0.952 20 30 CCEDRP CC#CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001327903170 902562571 /nfs/dbraw/zinc/56/25/71/902562571.db2.gz NLTUWSZAAIOBRJ-UONOGXRCSA-N 2 0 277.412 0.788 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC)CC1 ZINC001282242528 904439707 /nfs/dbraw/zinc/43/97/07/904439707.db2.gz RTPAIBZVAQAJDZ-OLZOCXBDSA-N 2 0 265.401 0.834 20 30 CCEDRP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282493172 904490358 /nfs/dbraw/zinc/49/03/58/904490358.db2.gz BCRNAIMGMZCZAK-CHWSQXEVSA-N 2 0 251.374 0.398 20 30 CCEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001316621400 904507173 /nfs/dbraw/zinc/50/71/73/904507173.db2.gz FBGSGJLWRPMNKP-OKILXGFUSA-N 2 0 293.411 0.215 20 30 CCEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001283796212 905021070 /nfs/dbraw/zinc/02/10/70/905021070.db2.gz HXLVSLSBTRHLTE-LSDHHAIUSA-N 2 0 295.427 0.198 20 30 CCEDRP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001284448740 905298667 /nfs/dbraw/zinc/29/86/67/905298667.db2.gz SENLLCFNAPOWEO-LSDHHAIUSA-N 2 0 297.443 0.703 20 30 CCEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCOCC)CC1 ZINC001491683768 907499095 /nfs/dbraw/zinc/49/90/95/907499095.db2.gz UCUBSIQJGCRAAU-AWEZNQCLSA-N 2 0 295.427 0.462 20 30 CCEDRP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001492128230 907712475 /nfs/dbraw/zinc/71/24/75/907712475.db2.gz MOGHMSXCIADVMW-OLZOCXBDSA-N 2 0 251.374 0.446 20 30 CCEDRP C[NH+](C)CC#CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC001313438197 908666401 /nfs/dbraw/zinc/66/64/01/908666401.db2.gz JDANJSXUFDEPLD-UHFFFAOYSA-N 2 0 292.427 0.821 20 30 CCEDRP C#CCC[NH+]1CCN(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001316966941 908701376 /nfs/dbraw/zinc/70/13/76/908701376.db2.gz LFOYDWWZPOGBRE-UHFFFAOYSA-N 2 0 294.443 0.085 20 30 CCEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001317000511 908908202 /nfs/dbraw/zinc/90/82/02/908908202.db2.gz CSZMHAKGPWJFDZ-CQSZACIVSA-N 2 0 277.412 0.932 20 30 CCEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001317266425 909100552 /nfs/dbraw/zinc/10/05/52/909100552.db2.gz WJJUESBWQRMODU-CQSZACIVSA-N 2 0 297.443 0.708 20 30 CCEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320071851 910449510 /nfs/dbraw/zinc/44/95/10/910449510.db2.gz AEZXXRHMAIMLLA-ZDUSSCGKSA-N 2 0 253.390 0.596 20 30 CCEDRP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)CC[C@H]21 ZINC001320111289 910471174 /nfs/dbraw/zinc/47/11/74/910471174.db2.gz NUTKBHCYPPJVRW-HUUCEWRRSA-N 2 0 277.412 0.884 20 30 CCEDRP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001321867647 911541410 /nfs/dbraw/zinc/54/14/10/911541410.db2.gz RSFANXNGYXZSEN-KBPBESRZSA-N 2 0 265.401 0.978 20 30 CCEDRP CC#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001328559366 915277154 /nfs/dbraw/zinc/27/71/54/915277154.db2.gz VHAWUSFQWLRGHF-UHFFFAOYSA-N 2 0 293.411 0.049 20 30 CCEDRP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001329105647 915674315 /nfs/dbraw/zinc/67/43/15/915674315.db2.gz ASSRESMQSMVHEA-STQMWFEESA-N 2 0 265.401 0.834 20 30 CCEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001329282310 915791455 /nfs/dbraw/zinc/79/14/55/915791455.db2.gz RDFXFUMCCVFBME-UONOGXRCSA-N 2 0 294.399 0.188 20 30 CCEDRP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001329939392 916295454 /nfs/dbraw/zinc/29/54/54/916295454.db2.gz SVQNZZPDJCTAJA-AWEZNQCLSA-N 2 0 265.401 0.932 20 30 CCEDRP C#CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001330230081 916495779 /nfs/dbraw/zinc/49/57/79/916495779.db2.gz LMKZEMYENFIMLM-LBPRGKRZSA-N 2 0 251.374 0.398 20 30 CCEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331004620 917018738 /nfs/dbraw/zinc/01/87/38/917018738.db2.gz GSZHFOJKNITBBG-QWRGUYRKSA-N 2 0 288.342 0.759 20 30 CCEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001331476073 917360132 /nfs/dbraw/zinc/36/01/32/917360132.db2.gz SJZBGBDYWHOHKH-KGLIPLIRSA-N 2 0 265.401 0.931 20 30 CCEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001331614681 917450076 /nfs/dbraw/zinc/45/00/76/917450076.db2.gz ISKLRLSAPDXQGS-GFCCVEGCSA-N 2 0 251.374 0.705 20 30 CCEDRP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001331773706 917597638 /nfs/dbraw/zinc/59/76/38/917597638.db2.gz WGTMJIYTXSXHFF-QWHCGFSZSA-N 2 0 269.389 0.114 20 30 CCEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001336892785 921087096 /nfs/dbraw/zinc/08/70/96/921087096.db2.gz BYONERXMPOFJMO-ZBFHGGJFSA-N 2 0 292.427 0.854 20 30 CCEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001341553170 922547695 /nfs/dbraw/zinc/54/76/95/922547695.db2.gz QQHJQONMORNBAD-UHFFFAOYSA-N 2 0 286.379 0.385 20 30 CCEDRP CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCC[NH2+]C1 ZINC001342176503 922847540 /nfs/dbraw/zinc/84/75/40/922847540.db2.gz ZXMGQDIZZVJTHT-RYUDHWBXSA-N 2 0 252.362 0.608 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001343012932 923167407 /nfs/dbraw/zinc/16/74/07/923167407.db2.gz PDZNVXGXYRLNCO-GMXVVIOVSA-N 2 0 250.346 0.347 20 30 CCEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001346027975 924047556 /nfs/dbraw/zinc/04/75/56/924047556.db2.gz DBKMMXCDDDIDMR-LBPRGKRZSA-N 2 0 264.373 0.610 20 30 CCEDRP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001479914379 924756610 /nfs/dbraw/zinc/75/66/10/924756610.db2.gz JAEPSQGVERAXOJ-HNNXBMFYSA-N 2 0 295.427 0.865 20 30 CCEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200116618 925627861 /nfs/dbraw/zinc/62/78/61/925627861.db2.gz YXFXTRYLBASASZ-ZIAGYGMSSA-N 2 0 281.400 0.474 20 30 CCEDRP C#CC[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001353323819 925798074 /nfs/dbraw/zinc/79/80/74/925798074.db2.gz OGBYOQDYYLTHFH-OAHLLOKOSA-N 2 0 265.401 0.129 20 30 CCEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001357660134 926578007 /nfs/dbraw/zinc/57/80/07/926578007.db2.gz MCSNMFMAVLZFLR-VXGBXAGGSA-N 2 0 284.429 0.609 20 30 CCEDRP