smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](CCNS(=O)(=O)c1ccc(CC[NH3+])s1)C1CC1 ZINC000062010807 184201072 /nfs/dbraw/zinc/20/10/72/184201072.db2.gz OEHARTJRKQNKAY-UHFFFAOYSA-N 2 1 303.453 0.622 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247221600 285010555 /nfs/dbraw/zinc/01/05/55/285010555.db2.gz MIWPVTGDVOXECP-HOCLYGCPSA-N 2 1 324.469 0.975 10 0 DCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283415 395772869 /nfs/dbraw/zinc/77/28/69/395772869.db2.gz FOHKFAIIQUIRNO-OLZOCXBDSA-N 2 1 322.453 0.315 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195146367 395817681 /nfs/dbraw/zinc/81/76/81/395817681.db2.gz RXVNGDMUODCXEP-HNNXBMFYSA-N 2 1 312.458 0.881 10 0 DCAEMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247054257 395964628 /nfs/dbraw/zinc/96/46/28/395964628.db2.gz ZLKDMMXLUWMVEH-KBAYOESNSA-N 2 1 323.481 0.628 10 0 DCAEMP O[C@H](CN1CCOCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247054257 395964631 /nfs/dbraw/zinc/96/46/31/395964631.db2.gz ZLKDMMXLUWMVEH-KBAYOESNSA-N 2 1 323.481 0.628 10 0 DCAEMP O[C@H](CN1CCOCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247054257 395964634 /nfs/dbraw/zinc/96/46/34/395964634.db2.gz ZLKDMMXLUWMVEH-KBAYOESNSA-N 2 1 323.481 0.628 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000247486259 395974005 /nfs/dbraw/zinc/97/40/05/395974005.db2.gz KTFJNRABFYPQEZ-ZBFHGGJFSA-N 2 1 324.469 0.881 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247486259 395974010 /nfs/dbraw/zinc/97/40/10/395974010.db2.gz KTFJNRABFYPQEZ-ZBFHGGJFSA-N 2 1 324.469 0.881 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000247486259 395974013 /nfs/dbraw/zinc/97/40/13/395974013.db2.gz KTFJNRABFYPQEZ-ZBFHGGJFSA-N 2 1 324.469 0.881 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000248390096 395985341 /nfs/dbraw/zinc/98/53/41/395985341.db2.gz BOYAWXGYBOKLPQ-VIKVFOODSA-N 2 1 318.421 0.928 10 0 DCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000248390096 395985343 /nfs/dbraw/zinc/98/53/43/395985343.db2.gz BOYAWXGYBOKLPQ-VIKVFOODSA-N 2 1 318.421 0.928 10 0 DCAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCS(N)(=O)=O)C2)[nH+]1 ZINC000170914542 396101670 /nfs/dbraw/zinc/10/16/70/396101670.db2.gz ZHMNOKKUGBUVBT-ZDUSSCGKSA-N 2 1 312.439 0.802 10 0 DCAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCS(N)(=O)=O)C2)[nH+]1 ZINC000170914542 396101672 /nfs/dbraw/zinc/10/16/72/396101672.db2.gz ZHMNOKKUGBUVBT-ZDUSSCGKSA-N 2 1 312.439 0.802 10 0 DCAEMP O=C(CCN1CCO[C@@H](c2ccsc2)C1)N1CCNCC1 ZINC000262225367 396112814 /nfs/dbraw/zinc/11/28/14/396112814.db2.gz UYEANECROMEENC-CQSZACIVSA-N 2 1 309.435 0.943 10 0 DCAEMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263279445 396211269 /nfs/dbraw/zinc/21/12/69/396211269.db2.gz TZLVSMBPKGNOMV-WFASDCNBSA-N 2 1 302.378 0.551 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000193444290 396451525 /nfs/dbraw/zinc/45/15/25/396451525.db2.gz GQTYBOCYPFTVLW-CQSZACIVSA-N 2 1 300.447 0.690 10 0 DCAEMP C[N@H+](CCC(=O)N1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328642942 396828905 /nfs/dbraw/zinc/82/89/05/396828905.db2.gz RFSBGQPISFTSRD-CQSZACIVSA-N 2 1 306.410 0.626 10 0 DCAEMP C[N@@H+](CCC(=O)N1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328642942 396828910 /nfs/dbraw/zinc/82/89/10/396828910.db2.gz RFSBGQPISFTSRD-CQSZACIVSA-N 2 1 306.410 0.626 10 0 DCAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070364 158341688 /nfs/dbraw/zinc/34/16/88/158341688.db2.gz SWWQHLHPAQLYCZ-INIZCTEOSA-N 2 1 308.470 0.711 10 0 DCAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070364 158341692 /nfs/dbraw/zinc/34/16/92/158341692.db2.gz SWWQHLHPAQLYCZ-INIZCTEOSA-N 2 1 308.470 0.711 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000246446053 287083418 /nfs/dbraw/zinc/08/34/18/287083418.db2.gz NWSGOMCEUHGQGR-GJZGRUSLSA-N 2 1 314.474 0.936 10 0 DCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+](C)CCOC)[C@@H](C)C1 ZINC000246446053 287083423 /nfs/dbraw/zinc/08/34/23/287083423.db2.gz NWSGOMCEUHGQGR-GJZGRUSLSA-N 2 1 314.474 0.936 10 0 DCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000246446053 287083425 /nfs/dbraw/zinc/08/34/25/287083425.db2.gz NWSGOMCEUHGQGR-GJZGRUSLSA-N 2 1 314.474 0.936 10 0 DCAEMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333388184 415632255 /nfs/dbraw/zinc/63/22/55/415632255.db2.gz OKAURKTZOQAILE-OCCSQVGLSA-N 2 1 302.394 0.050 10 0 DCAEMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333388184 415632260 /nfs/dbraw/zinc/63/22/60/415632260.db2.gz OKAURKTZOQAILE-OCCSQVGLSA-N 2 1 302.394 0.050 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000111856655 415695404 /nfs/dbraw/zinc/69/54/04/415695404.db2.gz BMEFYIZAMCHWSM-DZGCQCFKSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000111856655 415695413 /nfs/dbraw/zinc/69/54/13/415695413.db2.gz BMEFYIZAMCHWSM-DZGCQCFKSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000111856655 415695420 /nfs/dbraw/zinc/69/54/20/415695420.db2.gz BMEFYIZAMCHWSM-DZGCQCFKSA-N 2 1 312.458 0.879 10 0 DCAEMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000333810504 415744230 /nfs/dbraw/zinc/74/42/30/415744230.db2.gz POOVKPXGPNEXJX-CQSZACIVSA-N 2 1 311.474 0.454 10 0 DCAEMP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000173939393 416070693 /nfs/dbraw/zinc/07/06/93/416070693.db2.gz NTPTYHSKLIGXDY-CYBMUJFWSA-N 2 1 306.414 0.757 10 0 DCAEMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000176003484 416117689 /nfs/dbraw/zinc/11/76/89/416117689.db2.gz HCAQLPKDCAVGDB-MRXNPFEDSA-N 2 1 310.486 0.955 10 0 DCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262540364 416336911 /nfs/dbraw/zinc/33/69/11/416336911.db2.gz QYIFJAVFXAJQJK-HVOFVXBASA-N 2 1 307.438 0.872 10 0 DCAEMP CC[N@H+](CCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000246091201 416331620 /nfs/dbraw/zinc/33/16/20/416331620.db2.gz HAVXLAOQVMEVEV-ZBFHGGJFSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000246091201 416331621 /nfs/dbraw/zinc/33/16/21/416331621.db2.gz HAVXLAOQVMEVEV-ZBFHGGJFSA-N 2 1 324.469 0.833 10 0 DCAEMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559749085 416820247 /nfs/dbraw/zinc/82/02/47/416820247.db2.gz RDUDSYXURQMGTO-UHFFFAOYSA-N 2 1 309.414 0.108 10 0 DCAEMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000638109470 417335338 /nfs/dbraw/zinc/33/53/38/417335338.db2.gz VOJYHKRERLDNEN-IRXDYDNUSA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000638109470 417335342 /nfs/dbraw/zinc/33/53/42/417335342.db2.gz VOJYHKRERLDNEN-IRXDYDNUSA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638109470 417335348 /nfs/dbraw/zinc/33/53/48/417335348.db2.gz VOJYHKRERLDNEN-IRXDYDNUSA-N 2 1 316.449 0.752 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000194148217 261145163 /nfs/dbraw/zinc/14/51/63/261145163.db2.gz CIMITASLMFEAFL-HNNXBMFYSA-N 2 1 312.458 0.882 10 0 DCAEMP CC1(C)C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000261756000 278330963 /nfs/dbraw/zinc/33/09/63/278330963.db2.gz LKOOQJSVUZDLLR-SECBINFHSA-N 2 1 324.347 0.824 10 0 DCAEMP C[C@H](CNC(=O)N1CCC[N@@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000172623446 279329526 /nfs/dbraw/zinc/32/95/26/279329526.db2.gz OXQSPIOCNZFACR-OAHLLOKOSA-N 2 1 324.469 0.834 10 0 DCAEMP C[C@H](CNC(=O)N1CCC[N@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000172623446 279329528 /nfs/dbraw/zinc/32/95/28/279329528.db2.gz OXQSPIOCNZFACR-OAHLLOKOSA-N 2 1 324.469 0.834 10 0 DCAEMP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333644730 295245174 /nfs/dbraw/zinc/24/51/74/295245174.db2.gz IVTUMSLCPDLMES-GPANFISMSA-N 2 1 323.485 0.726 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000570950874 333171500 /nfs/dbraw/zinc/17/15/00/333171500.db2.gz KLNDLZJFSPEPOR-VNHYZAJKSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570950874 333171501 /nfs/dbraw/zinc/17/15/01/333171501.db2.gz KLNDLZJFSPEPOR-VNHYZAJKSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000570950874 333171502 /nfs/dbraw/zinc/17/15/02/333171502.db2.gz KLNDLZJFSPEPOR-VNHYZAJKSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[N@@H+]1CCc2ccccc2C1 ZINC000262334659 545983656 /nfs/dbraw/zinc/98/36/56/545983656.db2.gz SNNUJOKVFHQGBU-DAXOMENPSA-N 2 1 303.406 0.130 10 0 DCAEMP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[N@H+]1CCc2ccccc2C1 ZINC000262334659 545983659 /nfs/dbraw/zinc/98/36/59/545983659.db2.gz SNNUJOKVFHQGBU-DAXOMENPSA-N 2 1 303.406 0.130 10 0 DCAEMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000162197283 658088610 /nfs/dbraw/zinc/08/86/10/658088610.db2.gz NHYJKESUSGVFDP-HNNXBMFYSA-N 2 1 309.454 0.920 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000702432248 666956029 /nfs/dbraw/zinc/95/60/29/666956029.db2.gz VOYMYBPHBVTMNL-CVEARBPZSA-N 2 1 304.438 0.656 10 0 DCAEMP CN(C)c1nc(N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc[nH+]1 ZINC000262122153 1185162513 /nfs/dbraw/zinc/16/25/13/1185162513.db2.gz XIWBBDVRIMCDIP-INIZCTEOSA-N 2 1 304.442 0.664 10 0 DCAEMP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000405094994 774148878 /nfs/dbraw/zinc/14/88/78/774148878.db2.gz ADIIYVRFNWQFKD-HIFRSBDPSA-N 2 1 323.462 0.931 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCc2ccco2)CC1 ZINC000105862128 194149013 /nfs/dbraw/zinc/14/90/13/194149013.db2.gz FDUQQMROMJWEIS-CQSZACIVSA-N 2 1 323.437 0.920 10 0 DCAEMP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875590 194153570 /nfs/dbraw/zinc/15/35/70/194153570.db2.gz HBZDVTPTDOEYSR-GFCCVEGCSA-N 2 1 321.425 0.909 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262060702 220464213 /nfs/dbraw/zinc/46/42/13/220464213.db2.gz AVDISPJCMHHCDT-XZDPQHSOSA-N 2 1 317.437 0.418 10 0 DCAEMP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000114455745 395835049 /nfs/dbraw/zinc/83/50/49/395835049.db2.gz FPEYNQMFPLIJBS-UHFFFAOYSA-N 2 1 308.470 0.755 10 0 DCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000245470070 395929866 /nfs/dbraw/zinc/92/98/66/395929866.db2.gz VWYWSFIOCFMXDK-SJORKVTESA-N 2 1 319.449 0.996 10 0 DCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000245470070 395929871 /nfs/dbraw/zinc/92/98/71/395929871.db2.gz VWYWSFIOCFMXDK-SJORKVTESA-N 2 1 319.449 0.996 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000246392451 395948930 /nfs/dbraw/zinc/94/89/30/395948930.db2.gz IRWZEZJOEJMHEF-HNNXBMFYSA-N 2 1 312.458 0.834 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246392451 395948933 /nfs/dbraw/zinc/94/89/33/395948933.db2.gz IRWZEZJOEJMHEF-HNNXBMFYSA-N 2 1 312.458 0.834 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246392451 395948934 /nfs/dbraw/zinc/94/89/34/395948934.db2.gz IRWZEZJOEJMHEF-HNNXBMFYSA-N 2 1 312.458 0.834 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246755609 395956676 /nfs/dbraw/zinc/95/66/76/395956676.db2.gz AHSDHNYZPJZMQT-XHSDSOJGSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246755609 395956680 /nfs/dbraw/zinc/95/66/80/395956680.db2.gz AHSDHNYZPJZMQT-XHSDSOJGSA-N 2 1 324.469 0.975 10 0 DCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247309325 395971507 /nfs/dbraw/zinc/97/15/07/395971507.db2.gz NXQDKLBXTFTMLT-OAGGEKHMSA-N 2 1 323.485 0.500 10 0 DCAEMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261938408 396081807 /nfs/dbraw/zinc/08/18/07/396081807.db2.gz MNJARWUEBCCMHN-XDNAFOTISA-N 3 1 324.513 0.759 10 0 DCAEMP CC[C@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1CCOC ZINC000261950620 396083531 /nfs/dbraw/zinc/08/35/31/396083531.db2.gz KBUGOLYUCPNZLZ-LSDHHAIUSA-N 2 1 313.442 0.310 10 0 DCAEMP CC[C@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@H+]1CCOC ZINC000261950620 396083534 /nfs/dbraw/zinc/08/35/34/396083534.db2.gz KBUGOLYUCPNZLZ-LSDHHAIUSA-N 2 1 313.442 0.310 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000263266825 396210459 /nfs/dbraw/zinc/21/04/59/396210459.db2.gz VNHSWFCUQJPAIS-HOCLYGCPSA-N 2 1 324.469 0.467 10 0 DCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188974244 396389111 /nfs/dbraw/zinc/38/91/11/396389111.db2.gz FMSRSOFLKQRUCC-GFCCVEGCSA-N 2 1 305.426 0.906 10 0 DCAEMP C[C@@H]1COCCN1CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192765161 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396034060 /nfs/dbraw/zinc/03/40/60/396034060.db2.gz KLRMBPFDQYAZFR-INIZCTEOSA-N 3 1 322.497 0.764 10 0 DCAEMP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[NH+]1CCOCC1 ZINC000261846868 396072045 /nfs/dbraw/zinc/07/20/45/396072045.db2.gz RAYUFMUNEDSKKI-CABCVRRESA-N 2 1 313.442 0.213 10 0 DCAEMP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)[nH+]c1 ZINC000261764089 396063365 /nfs/dbraw/zinc/06/33/65/396063365.db2.gz LXQAOKGHTCRGDJ-CABCVRRESA-N 2 1 318.421 0.981 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000157382626 396063509 /nfs/dbraw/zinc/06/35/09/396063509.db2.gz NSNYAGMQQJRNJM-HUUCEWRRSA-N 2 1 312.458 0.738 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000157382626 396063517 /nfs/dbraw/zinc/06/35/17/396063517.db2.gz NSNYAGMQQJRNJM-HUUCEWRRSA-N 2 1 312.458 0.738 10 0 DCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@H](C[NH3+])OC ZINC000262067627 396095255 /nfs/dbraw/zinc/09/52/55/396095255.db2.gz WOJFFADNSXMQSB-TZMCWYRMSA-N 2 1 307.394 0.532 10 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/nfs/dbraw/zinc/30/85/19/396308519.db2.gz SNJOHCAQXBGBSP-ZBFHGGJFSA-N 2 1 324.469 0.569 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000184859403 396308523 /nfs/dbraw/zinc/30/85/23/396308523.db2.gz SNJOHCAQXBGBSP-ZBFHGGJFSA-N 2 1 324.469 0.569 10 0 DCAEMP CN1CCC[NH+](CCCCC[N@@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191135668 396415837 /nfs/dbraw/zinc/41/58/37/396415837.db2.gz PKUYZFBYWPZIKL-UHFFFAOYSA-N 2 1 324.469 0.485 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1C1CC1 ZINC000584686161 396614863 /nfs/dbraw/zinc/61/48/63/396614863.db2.gz IKVVWMLOIFDUCY-VNHYZAJKSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1C1CC1 ZINC000584686161 396614864 /nfs/dbraw/zinc/61/48/64/396614864.db2.gz IKVVWMLOIFDUCY-VNHYZAJKSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1C1CC1 ZINC000584686161 396614867 /nfs/dbraw/zinc/61/48/67/396614867.db2.gz IKVVWMLOIFDUCY-VNHYZAJKSA-N 2 1 320.437 0.034 10 0 DCAEMP COC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000588967781 396700862 /nfs/dbraw/zinc/70/08/62/396700862.db2.gz VTLLYHXGCRABKI-JZXOWHBKSA-N 2 1 318.417 0.974 10 0 DCAEMP COC(=O)[C@@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000588967781 396700867 /nfs/dbraw/zinc/70/08/67/396700867.db2.gz VTLLYHXGCRABKI-JZXOWHBKSA-N 2 1 318.417 0.974 10 0 DCAEMP COC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000588967781 396700870 /nfs/dbraw/zinc/70/08/70/396700870.db2.gz VTLLYHXGCRABKI-JZXOWHBKSA-N 2 1 318.417 0.974 10 0 DCAEMP COC(=O)[C@@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000588967781 396700875 /nfs/dbraw/zinc/70/08/75/396700875.db2.gz VTLLYHXGCRABKI-JZXOWHBKSA-N 2 1 318.417 0.974 10 0 DCAEMP CC[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[NH+](C)C ZINC000125158283 158252552 /nfs/dbraw/zinc/25/25/52/158252552.db2.gz DVJMTGSHMLZTCZ-HZPDHXFCSA-N 2 1 310.486 0.955 10 0 DCAEMP Cc1[nH+]ccn1CCN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000330070221 159139614 /nfs/dbraw/zinc/13/96/14/159139614.db2.gz HXUNMJMLPRSDTQ-UHFFFAOYSA-N 2 1 312.439 0.738 10 0 DCAEMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339829 287081338 /nfs/dbraw/zinc/08/13/38/287081338.db2.gz OGFFBASIDYIQJT-HUUCEWRRSA-N 2 1 317.499 0.932 10 0 DCAEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339829 287081335 /nfs/dbraw/zinc/08/13/35/287081335.db2.gz OGFFBASIDYIQJT-HUUCEWRRSA-N 2 1 317.499 0.932 10 0 DCAEMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339829 287081337 /nfs/dbraw/zinc/08/13/37/287081337.db2.gz OGFFBASIDYIQJT-HUUCEWRRSA-N 2 1 317.499 0.932 10 0 DCAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)NC(N)=O)C2)[nH+]1 ZINC000101587049 415596410 /nfs/dbraw/zinc/59/64/10/415596410.db2.gz AOTWIUANHRPSJX-LBPRGKRZSA-N 2 1 305.382 0.709 10 0 DCAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)NC(N)=O)C2)[nH+]1 ZINC000101587049 415596417 /nfs/dbraw/zinc/59/64/17/415596417.db2.gz AOTWIUANHRPSJX-LBPRGKRZSA-N 2 1 305.382 0.709 10 0 DCAEMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333946701 415767830 /nfs/dbraw/zinc/76/78/30/415767830.db2.gz UXFZSNCGCKJZSQ-GPANFISMSA-N 2 1 323.485 0.596 10 0 DCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333946701 415767836 /nfs/dbraw/zinc/76/78/36/415767836.db2.gz UXFZSNCGCKJZSQ-GPANFISMSA-N 2 1 323.485 0.596 10 0 DCAEMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333946701 415767841 /nfs/dbraw/zinc/76/78/41/415767841.db2.gz UXFZSNCGCKJZSQ-GPANFISMSA-N 2 1 323.485 0.596 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC2CCC2)CC1 ZINC000171746275 416039877 /nfs/dbraw/zinc/03/98/77/416039877.db2.gz HJDVCOJVGBKTQY-AWEZNQCLSA-N 2 1 311.470 0.927 10 0 DCAEMP CCN(Cc1ccccc1)C(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000302997288 416100526 /nfs/dbraw/zinc/10/05/26/416100526.db2.gz OJSIORGIZJVBES-UHFFFAOYSA-N 2 1 318.465 0.872 10 0 DCAEMP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000302997288 416100533 /nfs/dbraw/zinc/10/05/33/416100533.db2.gz OJSIORGIZJVBES-UHFFFAOYSA-N 2 1 318.465 0.872 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000175737104 416113355 /nfs/dbraw/zinc/11/33/55/416113355.db2.gz VILYSAMYRIGLIX-OAHLLOKOSA-N 2 1 310.442 0.610 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176257258 416121790 /nfs/dbraw/zinc/12/17/90/416121790.db2.gz XHZXFEFBMOWZPQ-OAHLLOKOSA-N 2 1 324.469 0.977 10 0 DCAEMP C[C@H](CN1CCOCC1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180478405 416198424 /nfs/dbraw/zinc/19/84/24/416198424.db2.gz RLJGZJLHCQODCO-MRXNPFEDSA-N 2 1 321.469 0.649 10 0 DCAEMP CCOC(=O)[C@@H]1CCCCN1C(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193604380 416318543 /nfs/dbraw/zinc/31/85/43/416318543.db2.gz MXEWAOBHTOUIGP-ZNMIVQPWSA-N 2 1 323.437 0.424 10 0 DCAEMP CC[NH+]1CCC(CCNC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000359493187 416348161 /nfs/dbraw/zinc/34/81/61/416348161.db2.gz KHIVIOLQCDEDKH-OAHLLOKOSA-N 2 1 310.486 0.861 10 0 DCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662743305 417881866 /nfs/dbraw/zinc/88/18/66/417881866.db2.gz XDLVCZKTPDYCJY-SJORKVTESA-N 2 1 316.449 0.528 10 0 DCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000662743305 417881870 /nfs/dbraw/zinc/88/18/70/417881870.db2.gz XDLVCZKTPDYCJY-SJORKVTESA-N 2 1 316.449 0.528 10 0 DCAEMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000105923170 261107759 /nfs/dbraw/zinc/10/77/59/261107759.db2.gz STYJSHXDAYNAOS-OAHLLOKOSA-N 2 1 320.441 0.516 10 0 DCAEMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000105923170 261107761 /nfs/dbraw/zinc/10/77/61/261107761.db2.gz STYJSHXDAYNAOS-OAHLLOKOSA-N 2 1 320.441 0.516 10 0 DCAEMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCO ZINC000187254946 261122911 /nfs/dbraw/zinc/12/29/11/261122911.db2.gz MXEZJFRETBBBCY-CQSZACIVSA-N 2 1 305.422 0.887 10 0 DCAEMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCO ZINC000187254946 261122914 /nfs/dbraw/zinc/12/29/14/261122914.db2.gz MXEZJFRETBBBCY-CQSZACIVSA-N 2 1 305.422 0.887 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2CCO[C@H](C)C2)CC1 ZINC000191484867 261137068 /nfs/dbraw/zinc/13/70/68/261137068.db2.gz CUEXXEKXHJBHSK-HZPDHXFCSA-N 2 1 313.486 0.732 10 0 DCAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248998079 288316296 /nfs/dbraw/zinc/31/62/96/288316296.db2.gz MPGFUNJHZRVXBK-RYUDHWBXSA-N 2 1 303.410 0.754 10 0 DCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000246279182 290090295 /nfs/dbraw/zinc/09/02/95/290090295.db2.gz MKTZSDXIMWRGJG-KBPBESRZSA-N 2 1 317.433 0.396 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000246279182 290090298 /nfs/dbraw/zinc/09/02/98/290090298.db2.gz MKTZSDXIMWRGJG-KBPBESRZSA-N 2 1 317.433 0.396 10 0 DCAEMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237156265 521759072 /nfs/dbraw/zinc/75/90/72/521759072.db2.gz WZIIHKCWOOQYKW-CVEARBPZSA-N 2 1 310.486 0.894 10 0 DCAEMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NC(=O)NC1CC1 ZINC000193080321 545930100 /nfs/dbraw/zinc/93/01/00/545930100.db2.gz VESFZIRDRVSOCJ-UHFFFAOYSA-N 2 1 308.426 0.782 10 0 DCAEMP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000332975928 546068533 /nfs/dbraw/zinc/06/85/33/546068533.db2.gz GUFPRTJHQNGUAK-LQKXBSAESA-N 2 1 324.469 0.566 10 0 DCAEMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000332975928 546068537 /nfs/dbraw/zinc/06/85/37/546068537.db2.gz GUFPRTJHQNGUAK-LQKXBSAESA-N 2 1 324.469 0.566 10 0 DCAEMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000332975928 546068539 /nfs/dbraw/zinc/06/85/39/546068539.db2.gz GUFPRTJHQNGUAK-LQKXBSAESA-N 2 1 324.469 0.566 10 0 DCAEMP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729620835 662905907 /nfs/dbraw/zinc/90/59/07/662905907.db2.gz VSYUBKDSFVXONQ-CABCVRRESA-N 2 1 319.409 0.078 10 0 DCAEMP CNc1cc(N2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)ncn1 ZINC000173416844 198212559 /nfs/dbraw/zinc/21/25/59/198212559.db2.gz JDXIZQWKQLKADR-CYBMUJFWSA-N 2 1 320.441 0.944 10 0 DCAEMP C[C@@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)C[NH+]1CCOCC1 ZINC000333495635 295949486 /nfs/dbraw/zinc/94/94/86/295949486.db2.gz CUESDMXCJWDZOZ-HNNXBMFYSA-N 2 1 324.469 0.740 10 0 DCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH2+]CC1 ZINC000262518324 238176491 /nfs/dbraw/zinc/17/64/91/238176491.db2.gz USGGCKZNFSBINV-UHFFFAOYSA-N 2 1 316.449 0.672 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000105193256 194083277 /nfs/dbraw/zinc/08/32/77/194083277.db2.gz JNMZWWABMURTHH-UHFFFAOYSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)CC2CC2)CC1 ZINC000105862636 194150477 /nfs/dbraw/zinc/15/04/77/194150477.db2.gz UDXOHXPHXQTNCP-AWEZNQCLSA-N 2 1 311.470 0.879 10 0 DCAEMP Cc1cc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862039 194149115 /nfs/dbraw/zinc/14/91/15/194149115.db2.gz GSBHPYSOUBOQOD-GFCCVEGCSA-N 2 1 324.425 0.946 10 0 DCAEMP Cc1cc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)no1 ZINC000105862039 194149117 /nfs/dbraw/zinc/14/91/17/194149117.db2.gz GSBHPYSOUBOQOD-GFCCVEGCSA-N 2 1 324.425 0.946 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262373728 285019752 /nfs/dbraw/zinc/01/97/52/285019752.db2.gz MMUXQCIGPMEXNO-CQSZACIVSA-N 2 1 313.442 0.230 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195146379 395817990 /nfs/dbraw/zinc/81/79/90/395817990.db2.gz RXVNGDMUODCXEP-OAHLLOKOSA-N 2 1 312.458 0.881 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237079129 395902258 /nfs/dbraw/zinc/90/22/58/395902258.db2.gz YJUPWULZFFLAGC-INIZCTEOSA-N 2 1 308.470 0.615 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248645443 395992181 /nfs/dbraw/zinc/99/21/81/395992181.db2.gz SHPDTQWELXWOHH-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248645443 395992185 /nfs/dbraw/zinc/99/21/85/395992185.db2.gz SHPDTQWELXWOHH-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248645443 395992187 /nfs/dbraw/zinc/99/21/87/395992187.db2.gz SHPDTQWELXWOHH-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+]1CCOCC1 ZINC000261846880 396071942 /nfs/dbraw/zinc/07/19/42/396071942.db2.gz RAYUFMUNEDSKKI-HUUCEWRRSA-N 2 1 313.442 0.213 10 0 DCAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000156279496 396061115 /nfs/dbraw/zinc/06/11/15/396061115.db2.gz GKBOGDJKACCBDS-GJZGRUSLSA-N 2 1 314.474 0.984 10 0 DCAEMP CC[N@@H+](CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000171250987 396111774 /nfs/dbraw/zinc/11/17/74/396111774.db2.gz JLQUBOVANFWJRE-OAHLLOKOSA-N 2 1 312.458 0.617 10 0 DCAEMP C[C@H]([NH3+])CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000261936633 396080841 /nfs/dbraw/zinc/08/08/41/396080841.db2.gz ZPVNPVWFANTIEF-ZDUSSCGKSA-N 2 1 310.442 0.126 10 0 DCAEMP CCOc1c(OC)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263243110 396208322 /nfs/dbraw/zinc/20/83/22/396208322.db2.gz OXJIGUJFZHYUDN-CHWSQXEVSA-N 2 1 310.394 0.772 10 0 DCAEMP Cc1[nH+]ccn1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262507652 396148560 /nfs/dbraw/zinc/14/85/60/396148560.db2.gz MQGPASMDRBMECS-XJKCOSOUSA-N 2 1 306.410 0.840 10 0 DCAEMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000263326924 396214466 /nfs/dbraw/zinc/21/44/66/396214466.db2.gz SYNDUKBDCRAFDC-UHFFFAOYSA-N 2 1 306.385 0.283 10 0 DCAEMP C[N@H+]1CC[C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@@H]2C1 ZINC000192826725 396438842 /nfs/dbraw/zinc/43/88/42/396438842.db2.gz JXXZYYUDEJCATP-UONOGXRCSA-N 2 1 301.456 0.438 10 0 DCAEMP CC[NH+](CC)[C@@H](C)CNC(=O)NCCC[NH+]1CCOCC1 ZINC000192895604 396439473 /nfs/dbraw/zinc/43/94/73/396439473.db2.gz XNTZSHDACFAAQW-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000051907845 158014575 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1 324.425 0.946 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000261841789 285016479 /nfs/dbraw/zinc/01/64/79/285016479.db2.gz CPIVFUUVWTZYNX-MRXNPFEDSA-N 2 1 305.422 0.910 10 0 DCAEMP CC(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCC[NH+]1CCCC1 ZINC000011934520 395686977 /nfs/dbraw/zinc/68/69/77/395686977.db2.gz VEABTLBRTKJOCY-CQSZACIVSA-N 2 1 310.442 0.045 10 0 DCAEMP Cn1cc(N2CCC[C@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639356 395775663 /nfs/dbraw/zinc/77/56/63/395775663.db2.gz MTDGZJYJGVNUTE-GUTXKFCHSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1cc(N2CCC[C@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639356 395775668 /nfs/dbraw/zinc/77/56/68/395775668.db2.gz MTDGZJYJGVNUTE-GUTXKFCHSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1cc(N2CCC[C@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639356 395775670 /nfs/dbraw/zinc/77/56/70/395775670.db2.gz MTDGZJYJGVNUTE-GUTXKFCHSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1cc(N2CCC[C@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639356 395775673 /nfs/dbraw/zinc/77/56/73/395775673.db2.gz MTDGZJYJGVNUTE-GUTXKFCHSA-N 2 1 303.410 0.409 10 0 DCAEMP C[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)N1CCOCC1 ZINC000115796684 395841719 /nfs/dbraw/zinc/84/17/19/395841719.db2.gz CCEXGGBXRNPCPB-CABCVRRESA-N 2 1 312.458 0.690 10 0 DCAEMP Cc1cnn(CC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261864327 396073665 /nfs/dbraw/zinc/07/36/65/396073665.db2.gz KRJBKPUQYOJTBS-HZPDHXFCSA-N 2 1 319.453 0.772 10 0 DCAEMP COC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000066833513 396014908 /nfs/dbraw/zinc/01/49/08/396014908.db2.gz NXHCSHRKSHOTAP-ZDUSSCGKSA-N 2 1 323.437 0.614 10 0 DCAEMP COC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000066833513 396014912 /nfs/dbraw/zinc/01/49/12/396014912.db2.gz NXHCSHRKSHOTAP-ZDUSSCGKSA-N 2 1 323.437 0.614 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262089377 396098180 /nfs/dbraw/zinc/09/81/80/396098180.db2.gz URRWLRNKOCYFFV-QGZVFWFLSA-N 2 1 310.486 0.862 10 0 DCAEMP O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262342207 396127066 /nfs/dbraw/zinc/12/70/66/396127066.db2.gz TWTGIVBROQUPGW-OAHLLOKOSA-N 2 1 317.437 0.659 10 0 DCAEMP O=C(N1CC[N@H+]2CCCC[C@@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262342207 396127069 /nfs/dbraw/zinc/12/70/69/396127069.db2.gz TWTGIVBROQUPGW-OAHLLOKOSA-N 2 1 317.437 0.659 10 0 DCAEMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000261940933 396081850 /nfs/dbraw/zinc/08/18/50/396081850.db2.gz XKJWCEFMRDQIPN-STQMWFEESA-N 2 1 313.442 0.498 10 0 DCAEMP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629548417 396782797 /nfs/dbraw/zinc/78/27/97/396782797.db2.gz XIZRYWQYJPCWFN-CQSZACIVSA-N 2 1 303.472 0.589 10 0 DCAEMP CN1CCN(C)[C@@H](CNC(=O)Nc2ccc3nccn3c2)C1 ZINC000606583944 397683888 /nfs/dbraw/zinc/68/38/88/397683888.db2.gz UPJBPCIEUBGELI-ZDUSSCGKSA-N 2 1 302.382 0.702 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1CC ZINC000168090826 286088715 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C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000246153103 287077612 /nfs/dbraw/zinc/07/76/12/287077612.db2.gz DDXHYSFYZHUJEK-LSDHHAIUSA-N 2 1 317.499 0.932 10 0 DCAEMP C[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000246153103 287077614 /nfs/dbraw/zinc/07/76/14/287077614.db2.gz DDXHYSFYZHUJEK-LSDHHAIUSA-N 2 1 317.499 0.932 10 0 DCAEMP C[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000246153103 287077616 /nfs/dbraw/zinc/07/76/16/287077616.db2.gz DDXHYSFYZHUJEK-LSDHHAIUSA-N 2 1 317.499 0.932 10 0 DCAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096947 415482673 /nfs/dbraw/zinc/48/26/73/415482673.db2.gz BPQXXHCQHSTJEI-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096947 415482678 /nfs/dbraw/zinc/48/26/78/415482678.db2.gz BPQXXHCQHSTJEI-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096947 415482682 /nfs/dbraw/zinc/48/26/82/415482682.db2.gz BPQXXHCQHSTJEI-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096947 415482685 /nfs/dbraw/zinc/48/26/85/415482685.db2.gz BPQXXHCQHSTJEI-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333725731 415726314 /nfs/dbraw/zinc/72/63/14/415726314.db2.gz VJICMZQVRDLOSA-HUUCEWRRSA-N 2 1 309.458 0.160 10 0 DCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333809344 415743396 /nfs/dbraw/zinc/74/33/96/415743396.db2.gz IYWJYFSIHBLFQM-ZIAGYGMSSA-N 2 1 312.458 0.615 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000175744562 416112295 /nfs/dbraw/zinc/11/22/95/416112295.db2.gz HAVXLAOQVMEVEV-GDBMZVCRSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000175744562 416112302 /nfs/dbraw/zinc/11/23/02/416112302.db2.gz HAVXLAOQVMEVEV-GDBMZVCRSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000176131547 416120183 /nfs/dbraw/zinc/12/01/83/416120183.db2.gz XLRGOIJGQVDVDU-HNNXBMFYSA-N 2 1 312.458 0.834 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000176131547 416120187 /nfs/dbraw/zinc/12/01/87/416120187.db2.gz XLRGOIJGQVDVDU-HNNXBMFYSA-N 2 1 312.458 0.834 10 0 DCAEMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000179057834 416180474 /nfs/dbraw/zinc/18/04/74/416180474.db2.gz KWFFEDLBGXZKDP-KRWDZBQOSA-N 2 1 316.449 0.625 10 0 DCAEMP C[C@@H](CN1CCOCC1)[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000180478385 416197224 /nfs/dbraw/zinc/19/72/24/416197224.db2.gz RLJGZJLHCQODCO-INIZCTEOSA-N 2 1 321.469 0.649 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000557741960 416750021 /nfs/dbraw/zinc/75/00/21/416750021.db2.gz KTAGISNZDDESPC-UHFFFAOYSA-N 2 1 312.458 0.387 10 0 DCAEMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000408096086 417141755 /nfs/dbraw/zinc/14/17/55/417141755.db2.gz VIBLOOCFKJIKSP-GXTWGEPZSA-N 2 1 303.472 0.588 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781203 417353513 /nfs/dbraw/zinc/35/35/13/417353513.db2.gz MGDJKXMGNCHZRT-PVAVHDDUSA-N 2 1 317.433 0.859 10 0 DCAEMP CC[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1CCOC ZINC000333488286 281137961 /nfs/dbraw/zinc/13/79/61/281137961.db2.gz DACYOXWHHWIMCF-CABCVRRESA-N 2 1 312.458 0.881 10 0 DCAEMP COC[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000554178694 288314388 /nfs/dbraw/zinc/31/43/88/288314388.db2.gz GNEUFUCEOLGNBI-MRXNPFEDSA-N 2 1 321.421 0.171 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000555656234 288359539 /nfs/dbraw/zinc/35/95/39/288359539.db2.gz QLQBNRUZDBJIPS-CYBMUJFWSA-N 2 1 324.425 0.409 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556359270 288375351 /nfs/dbraw/zinc/37/53/51/288375351.db2.gz AIKLDGJQPZYKRM-KBPBESRZSA-N 2 1 310.442 0.140 10 0 DCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C[NH3+])OC ZINC000262067621 295411043 /nfs/dbraw/zinc/41/10/43/295411043.db2.gz WOJFFADNSXMQSB-GXTWGEPZSA-N 2 1 307.394 0.532 10 0 DCAEMP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C[NH+]1CCOCC1 ZINC000175181570 298712619 /nfs/dbraw/zinc/71/26/19/298712619.db2.gz VSBRYEFIUDQEGX-HZPDHXFCSA-N 2 1 322.453 0.610 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)Cn2cccn2)CC1 ZINC000171631164 534076385 /nfs/dbraw/zinc/07/63/85/534076385.db2.gz KUHDWRGMZOGWOQ-HOCLYGCPSA-N 2 1 310.442 0.269 10 0 DCAEMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000261841387 661744672 /nfs/dbraw/zinc/74/46/72/661744672.db2.gz AJKIMEYMRPNRAB-BARDWOONSA-N 2 1 305.426 0.648 10 0 DCAEMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2noc(CN)n2)C[C@H](C)O1 ZINC000262146323 662112281 /nfs/dbraw/zinc/11/22/81/662112281.db2.gz FMVJWXXZAIKICI-XQQFMLRXSA-N 2 1 309.414 0.602 10 0 DCAEMP C[C@@H]1CN(C[C@@H]2CCCN2Cc2noc(CN)n2)C[C@H](C)O1 ZINC000262146323 662112282 /nfs/dbraw/zinc/11/22/82/662112282.db2.gz FMVJWXXZAIKICI-XQQFMLRXSA-N 2 1 309.414 0.602 10 0 DCAEMP CN(C)c1nc(N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc[nH+]1 ZINC000262122155 1185161859 /nfs/dbraw/zinc/16/18/59/1185161859.db2.gz XIWBBDVRIMCDIP-MRXNPFEDSA-N 2 1 304.442 0.664 10 0 DCAEMP C[C@H](CCNS(=O)(=O)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000405204764 774153769 /nfs/dbraw/zinc/15/37/69/774153769.db2.gz WEXIAZFTCAVHSI-CYBMUJFWSA-N 2 1 311.451 0.788 10 0 DCAEMP O=c1cc(C[NH2+]CC2CC[NH2+]CC2)nc(-c2cnccn2)[nH]1 ZINC000073696140 191342557 /nfs/dbraw/zinc/34/25/57/191342557.db2.gz FDDFBZYVBRVYPC-UHFFFAOYSA-N 2 1 300.366 0.728 10 0 DCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247039851 285204435 /nfs/dbraw/zinc/20/44/35/285204435.db2.gz IWMZELHDAHVBNB-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000284883014 131119816 /nfs/dbraw/zinc/11/98/16/131119816.db2.gz QSUPTZKEPQIVPQ-OAHLLOKOSA-N 2 1 301.350 0.080 10 0 DCAEMP C[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000118107181 395860700 /nfs/dbraw/zinc/86/07/00/395860700.db2.gz PAKXCPJTVKVZQK-HNNXBMFYSA-N 2 1 316.405 0.781 10 0 DCAEMP C[NH+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000118107181 395860703 /nfs/dbraw/zinc/86/07/03/395860703.db2.gz PAKXCPJTVKVZQK-HNNXBMFYSA-N 2 1 316.405 0.781 10 0 DCAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC000118107181 395860707 /nfs/dbraw/zinc/86/07/07/395860707.db2.gz PAKXCPJTVKVZQK-HNNXBMFYSA-N 2 1 316.405 0.781 10 0 DCAEMP C[NH+]1Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC000118107181 395860712 /nfs/dbraw/zinc/86/07/12/395860712.db2.gz PAKXCPJTVKVZQK-HNNXBMFYSA-N 2 1 316.405 0.781 10 0 DCAEMP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237334044 395910312 /nfs/dbraw/zinc/91/03/12/395910312.db2.gz UEAUTMWMROBOAT-AWEZNQCLSA-N 2 1 305.422 0.991 10 0 DCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246574705 395953414 /nfs/dbraw/zinc/95/34/14/395953414.db2.gz ZOGYMGBXCVNDRM-KFWWJZLASA-N 2 1 310.442 0.585 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000262071809 396096478 /nfs/dbraw/zinc/09/64/78/396096478.db2.gz GEWZSVRHRGJAOU-IPYPFGDCSA-N 2 1 310.442 0.171 10 0 DCAEMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C2C[NH2+]C2)CC1 ZINC000263337848 396214287 /nfs/dbraw/zinc/21/42/87/396214287.db2.gz WUXGBFBPHQGVSB-UHFFFAOYSA-N 2 1 316.449 0.660 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189431318 396395989 /nfs/dbraw/zinc/39/59/89/396395989.db2.gz OPUYDQZCKOKNHS-UONOGXRCSA-N 2 1 301.456 0.581 10 0 DCAEMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000309725834 396757579 /nfs/dbraw/zinc/75/75/79/396757579.db2.gz NPUYHOWACSVZDA-YESZJQIVSA-N 2 1 317.433 0.738 10 0 DCAEMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000309738739 396759890 /nfs/dbraw/zinc/75/98/90/396759890.db2.gz RGZYBRACNGJOAR-CVEARBPZSA-N 2 1 303.406 0.613 10 0 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415731310 /nfs/dbraw/zinc/73/13/10/415731310.db2.gz ADJIWQMRNICSHZ-LSDHHAIUSA-N 2 1 311.474 0.454 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000119793166 415749791 /nfs/dbraw/zinc/74/97/91/415749791.db2.gz DPPRNUZMXDKMOH-KGLIPLIRSA-N 2 1 300.447 0.593 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000119793166 415749795 /nfs/dbraw/zinc/74/97/95/415749795.db2.gz DPPRNUZMXDKMOH-KGLIPLIRSA-N 2 1 300.447 0.593 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000119793166 415749800 /nfs/dbraw/zinc/74/98/00/415749800.db2.gz DPPRNUZMXDKMOH-KGLIPLIRSA-N 2 1 300.447 0.593 10 0 DCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000182853370 416232988 /nfs/dbraw/zinc/23/29/88/416232988.db2.gz FFNXCQSIMVUGSI-PMPSAXMXSA-N 2 1 305.422 0.865 10 0 DCAEMP CN(C)c1[nH+]cc(CNC(=O)NCCNc2cc[nH+]cc2)n1C ZINC000435551094 416525187 /nfs/dbraw/zinc/52/51/87/416525187.db2.gz RMIWSCUUENZWOX-UHFFFAOYSA-N 2 1 317.397 0.214 10 0 DCAEMP 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/nfs/dbraw/zinc/12/16/76/199121676.db2.gz RCHFHXQYWDIAKM-CQSZACIVSA-N 2 1 317.393 0.254 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCc2ccco2)CC1 ZINC000105862124 194149165 /nfs/dbraw/zinc/14/91/65/194149165.db2.gz FDUQQMROMJWEIS-AWEZNQCLSA-N 2 1 323.437 0.920 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090950793 395720018 /nfs/dbraw/zinc/72/00/18/395720018.db2.gz DKFNCNMMNVQWCA-UHFFFAOYSA-N 2 1 312.439 0.439 10 0 DCAEMP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262011962 396090069 /nfs/dbraw/zinc/09/00/69/396090069.db2.gz OFHDNOUGGFTDNL-HNNXBMFYSA-N 2 1 313.442 0.310 10 0 DCAEMP Cn1ccnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262362869 396129919 /nfs/dbraw/zinc/12/99/19/396129919.db2.gz WPYLHVNHWSUTHA-KGLIPLIRSA-N 2 1 305.426 0.500 10 0 DCAEMP Cn1ccnc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262362869 396129923 /nfs/dbraw/zinc/12/99/23/396129923.db2.gz WPYLHVNHWSUTHA-KGLIPLIRSA-N 2 1 305.426 0.500 10 0 DCAEMP 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/nfs/dbraw/zinc/17/14/83/158171483.db2.gz YHWVFGJIKZRMEH-CQSZACIVSA-N 2 1 324.469 0.975 10 0 DCAEMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCc1ccnn1C ZINC000120196842 158194337 /nfs/dbraw/zinc/19/43/37/158194337.db2.gz FLTZEKBLODMAHQ-UHFFFAOYSA-N 2 1 321.469 0.837 10 0 DCAEMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCc1ccnn1C ZINC000120196842 158194338 /nfs/dbraw/zinc/19/43/38/158194338.db2.gz FLTZEKBLODMAHQ-UHFFFAOYSA-N 2 1 321.469 0.837 10 0 DCAEMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171750173 158386759 /nfs/dbraw/zinc/38/67/59/158386759.db2.gz HLLFEHPFVFNCQD-HNNXBMFYSA-N 2 1 323.485 0.502 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171899958 158387431 /nfs/dbraw/zinc/38/74/31/158387431.db2.gz TUOFKBRPNRTIEK-HZPDHXFCSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171899958 158387433 /nfs/dbraw/zinc/38/74/33/158387433.db2.gz TUOFKBRPNRTIEK-HZPDHXFCSA-N 2 1 324.469 0.833 10 0 DCAEMP 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/nfs/dbraw/zinc/11/69/29/279116929.db2.gz DZPOSKIIBARAGA-GBJTYRQASA-N 2 1 310.442 0.489 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185366518 279156881 /nfs/dbraw/zinc/15/68/81/279156881.db2.gz XULHJHFBWIEEQG-RBSFLKMASA-N 2 1 314.474 0.813 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000900605142 663260083 /nfs/dbraw/zinc/26/00/83/663260083.db2.gz VUVNNDIWJJLSSZ-CABCVRRESA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000900605142 663260085 /nfs/dbraw/zinc/26/00/85/663260085.db2.gz VUVNNDIWJJLSSZ-CABCVRRESA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000900605142 663260086 /nfs/dbraw/zinc/26/00/86/663260086.db2.gz VUVNNDIWJJLSSZ-CABCVRRESA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000900605142 663260087 /nfs/dbraw/zinc/26/00/87/663260087.db2.gz VUVNNDIWJJLSSZ-CABCVRRESA-N 2 1 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ZINC000237192062 395906334 /nfs/dbraw/zinc/90/63/34/395906334.db2.gz ASIPPTDGMITNEV-OAHLLOKOSA-N 2 1 322.453 0.141 10 0 DCAEMP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCOCC1 ZINC000261919478 396079209 /nfs/dbraw/zinc/07/92/09/396079209.db2.gz KBKXSRIZXMWLFF-BZUAXINKSA-N 2 1 311.470 0.844 10 0 DCAEMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263208270 396205818 /nfs/dbraw/zinc/20/58/18/396205818.db2.gz JYOLZDFTPXHJHG-WHOFXGATSA-N 2 1 308.378 0.297 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262634582 396165458 /nfs/dbraw/zinc/16/54/58/396165458.db2.gz HRXJHQKIEOJCAP-STQMWFEESA-N 2 1 310.442 0.221 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000177061132 396165596 /nfs/dbraw/zinc/16/55/96/396165596.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC[C@@H]2CCCO2)CC[N@H+]1C ZINC000177061132 396165598 /nfs/dbraw/zinc/16/55/98/396165598.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC[C@@H]2CCCO2)CC[NH+]1C ZINC000177061132 396165599 /nfs/dbraw/zinc/16/55/99/396165599.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COC[C@@H]2CCCO2)CC[NH+]1C ZINC000177061132 396165601 /nfs/dbraw/zinc/16/56/01/396165601.db2.gz XXZVDQKLAMLEMC-WCVJEAGWSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262647226 396167514 /nfs/dbraw/zinc/16/75/14/396167514.db2.gz ORNBIUCLADJHBJ-TWMKSMIVSA-N 2 1 322.497 0.907 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000180758666 396234890 /nfs/dbraw/zinc/23/48/90/396234890.db2.gz PSMAOELXKLNUSY-ZIAGYGMSSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)C1CC1 ZINC000180758666 396234892 /nfs/dbraw/zinc/23/48/92/396234892.db2.gz PSMAOELXKLNUSY-ZIAGYGMSSA-N 2 1 312.458 0.567 10 0 DCAEMP 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ZINC000074617046 158060046 /nfs/dbraw/zinc/06/00/46/158060046.db2.gz BLIZGXXYDBXVNE-UHFFFAOYSA-N 2 1 312.458 0.834 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000074617046 158060047 /nfs/dbraw/zinc/06/00/47/158060047.db2.gz BLIZGXXYDBXVNE-UHFFFAOYSA-N 2 1 312.458 0.834 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000074617046 158060048 /nfs/dbraw/zinc/06/00/48/158060048.db2.gz BLIZGXXYDBXVNE-UHFFFAOYSA-N 2 1 312.458 0.834 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075718619 158063246 /nfs/dbraw/zinc/06/32/46/158063246.db2.gz SVVVEVBXSMYUSD-SFHVURJKSA-N 2 1 324.513 0.811 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129953832 158292619 /nfs/dbraw/zinc/29/26/19/158292619.db2.gz IHHCNXWNEAJGSN-GJZGRUSLSA-N 2 1 312.458 0.690 10 0 DCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907913 158388635 /nfs/dbraw/zinc/38/86/35/158388635.db2.gz ZAIUQPGQNXJTGP-HUUCEWRRSA-N 2 1 309.458 0.112 10 0 DCAEMP 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/nfs/dbraw/zinc/70/14/53/415701453.db2.gz SQAAFWPUKOXFFO-JKSUJKDBSA-N 2 1 324.469 0.977 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000111867587 415701461 /nfs/dbraw/zinc/70/14/61/415701461.db2.gz SQAAFWPUKOXFFO-JKSUJKDBSA-N 2 1 324.469 0.977 10 0 DCAEMP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000179283122 416184737 /nfs/dbraw/zinc/18/47/37/416184737.db2.gz KIXJWKBOANCUBP-INIZCTEOSA-N 2 1 323.485 0.502 10 0 DCAEMP C[C@@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000246108771 416331570 /nfs/dbraw/zinc/33/15/70/416331570.db2.gz JKLRESDPYNHMHN-IJEWVQPXSA-N 2 1 324.469 0.831 10 0 DCAEMP C[C@@H](CNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000246108771 416331571 /nfs/dbraw/zinc/33/15/71/416331571.db2.gz JKLRESDPYNHMHN-IJEWVQPXSA-N 2 1 324.469 0.831 10 0 DCAEMP CN(C)c1nc(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC000524773124 417119262 /nfs/dbraw/zinc/11/92/62/417119262.db2.gz HEOKQRHTOLSRDE-ZDUSSCGKSA-N 2 1 318.425 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/nfs/dbraw/zinc/22/13/37/274221337.db2.gz OXQSPIOCNZFACR-HNNXBMFYSA-N 2 1 324.469 0.834 10 0 DCAEMP C[C@@H](CNC(=O)N1CCC[N@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000172623441 274221339 /nfs/dbraw/zinc/22/13/39/274221339.db2.gz OXQSPIOCNZFACR-HNNXBMFYSA-N 2 1 324.469 0.834 10 0 DCAEMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000246105995 281197515 /nfs/dbraw/zinc/19/75/15/281197515.db2.gz HNEJYENOJPFXLD-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](C)CCOC ZINC000246105995 281197517 /nfs/dbraw/zinc/19/75/17/281197517.db2.gz HNEJYENOJPFXLD-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](C)CCOC ZINC000246105995 281197519 /nfs/dbraw/zinc/19/75/19/281197519.db2.gz HNEJYENOJPFXLD-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000556064430 288368739 /nfs/dbraw/zinc/36/87/39/288368739.db2.gz ATBOTIBCPDJCFD-CQSZACIVSA-N 2 1 312.458 0.245 10 0 DCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000333669728 289046275 /nfs/dbraw/zinc/04/62/75/289046275.db2.gz MXCQWFGFZXOCPU-CBBWQLFWSA-N 2 1 310.442 0.761 10 0 DCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1CC[NH3+] ZINC000723890011 657722475 /nfs/dbraw/zinc/72/24/75/657722475.db2.gz DDKRMWSWSYKYHD-HZSPNIEDSA-N 2 1 303.472 0.575 10 0 DCAEMP O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000390702319 685260232 /nfs/dbraw/zinc/26/02/32/685260232.db2.gz DMNDKDXKTLCZKQ-HOTGVXAUSA-N 2 1 323.462 0.932 10 0 DCAEMP O=S(=O)(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405103820 774150885 /nfs/dbraw/zinc/15/08/85/774150885.db2.gz AHCMAIXWZWBWNU-HNNXBMFYSA-N 2 1 323.462 0.932 10 0 DCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000333121570 285320601 /nfs/dbraw/zinc/32/06/01/285320601.db2.gz ANTRMYPZXHSQHB-CABCVRRESA-N 2 1 311.474 0.263 10 0 DCAEMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237202873 395906508 /nfs/dbraw/zinc/90/65/08/395906508.db2.gz KZFCZTLKUADQEP-JYJNAYRXSA-N 2 1 308.470 0.661 10 0 DCAEMP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237217376 395906821 /nfs/dbraw/zinc/90/68/21/395906821.db2.gz UEAUTMWMROBOAT-CQSZACIVSA-N 2 1 305.422 0.991 10 0 DCAEMP C[C@H](CN1CCOCC1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245515978 395930440 /nfs/dbraw/zinc/93/04/40/395930440.db2.gz FHYOBYAQPASRBJ-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H](CN1CCOCC1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245515978 395930445 /nfs/dbraw/zinc/93/04/45/395930445.db2.gz FHYOBYAQPASRBJ-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246825012 395958848 /nfs/dbraw/zinc/95/88/48/395958848.db2.gz DPPRNUZMXDKMOH-UONOGXRCSA-N 2 1 300.447 0.593 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246825012 395958850 /nfs/dbraw/zinc/95/88/50/395958850.db2.gz DPPRNUZMXDKMOH-UONOGXRCSA-N 2 1 300.447 0.593 10 0 DCAEMP 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ZINC000247486029 287094408 /nfs/dbraw/zinc/09/44/08/287094408.db2.gz KROUWOYXADONPY-LSDHHAIUSA-N 2 1 312.458 0.738 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000247486029 287094410 /nfs/dbraw/zinc/09/44/10/287094410.db2.gz KROUWOYXADONPY-LSDHHAIUSA-N 2 1 312.458 0.738 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000247486029 287094412 /nfs/dbraw/zinc/09/44/12/287094412.db2.gz KROUWOYXADONPY-LSDHHAIUSA-N 2 1 312.458 0.738 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000248737846 287100938 /nfs/dbraw/zinc/10/09/38/287100938.db2.gz PDKZIOGLKHPIGE-KGLIPLIRSA-N 2 1 309.454 0.774 10 0 DCAEMP O=C(NCCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079391960 415470892 /nfs/dbraw/zinc/47/08/92/415470892.db2.gz XAQQCNYYHQEVJI-HNNXBMFYSA-N 2 1 324.469 0.882 10 0 DCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000130228017 415918626 /nfs/dbraw/zinc/91/86/26/415918626.db2.gz VIBLOOCFKJIKSP-OCCSQVGLSA-N 2 1 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0.859 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000638833723 417566592 /nfs/dbraw/zinc/56/65/92/417566592.db2.gz BMYVCUDAFOQFAH-PVAVHDDUSA-N 2 1 317.433 0.859 10 0 DCAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662742241 417883520 /nfs/dbraw/zinc/88/35/20/417883520.db2.gz MVXLIIHXDRORSU-ZBFHGGJFSA-N 2 1 304.438 0.527 10 0 DCAEMP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662742241 417883523 /nfs/dbraw/zinc/88/35/23/417883523.db2.gz MVXLIIHXDRORSU-ZBFHGGJFSA-N 2 1 304.438 0.527 10 0 DCAEMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1CCOC1 ZINC000363990449 262138311 /nfs/dbraw/zinc/13/83/11/262138311.db2.gz JBYLLDSNQAKRJN-CQSZACIVSA-N 2 1 307.442 0.749 10 0 DCAEMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000246727392 529098694 /nfs/dbraw/zinc/09/86/94/529098694.db2.gz AKVQMRMGEGONIM-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000246727392 529098706 /nfs/dbraw/zinc/09/87/06/529098706.db2.gz AKVQMRMGEGONIM-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[N@@H+]1CCc2ccccc2C1 ZINC000262334662 545983622 /nfs/dbraw/zinc/98/36/22/545983622.db2.gz SNNUJOKVFHQGBU-WQVCFCJDSA-N 2 1 303.406 0.130 10 0 DCAEMP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[N@H+]1CCc2ccccc2C1 ZINC000262334662 545983623 /nfs/dbraw/zinc/98/36/23/545983623.db2.gz SNNUJOKVFHQGBU-WQVCFCJDSA-N 2 1 303.406 0.130 10 0 DCAEMP COCCOC[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720841275 685315612 /nfs/dbraw/zinc/31/56/12/685315612.db2.gz RHZNSDFMTQYKPE-HBNTYKKESA-N 2 1 300.321 0.079 10 0 DCAEMP COCCOC[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720841275 685315618 /nfs/dbraw/zinc/31/56/18/685315618.db2.gz RHZNSDFMTQYKPE-HBNTYKKESA-N 2 1 300.321 0.079 10 0 DCAEMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000250612344 685184880 /nfs/dbraw/zinc/18/48/80/685184880.db2.gz MYXWZXVOMYAXOR-RDBSUJKOSA-N 2 1 301.456 0.484 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2C(=O)CCC2=O)CC1 ZINC000105862554 296181254 /nfs/dbraw/zinc/18/12/54/296181254.db2.gz RAJWIQOLEQAOOW-CYBMUJFWSA-N 2 1 311.426 0.160 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000246755571 285023940 /nfs/dbraw/zinc/02/39/40/285023940.db2.gz AHSDHNYZPJZMQT-ARFHVFGLSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246755571 285023941 /nfs/dbraw/zinc/02/39/41/285023941.db2.gz AHSDHNYZPJZMQT-ARFHVFGLSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000246755571 285023942 /nfs/dbraw/zinc/02/39/42/285023942.db2.gz AHSDHNYZPJZMQT-ARFHVFGLSA-N 2 1 324.469 0.975 10 0 DCAEMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000118107380 395859772 /nfs/dbraw/zinc/85/97/72/395859772.db2.gz MEWLJGYMXRIUEL-HNNXBMFYSA-N 2 1 318.421 0.897 10 0 DCAEMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237156831 395904371 /nfs/dbraw/zinc/90/43/71/395904371.db2.gz WZIIHKCWOOQYKW-JKSUJKDBSA-N 2 1 310.486 0.894 10 0 DCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000245470067 395930132 /nfs/dbraw/zinc/93/01/32/395930132.db2.gz VWYWSFIOCFMXDK-IAGOWNOFSA-N 2 1 319.449 0.996 10 0 DCAEMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000245470067 395930134 /nfs/dbraw/zinc/93/01/34/395930134.db2.gz VWYWSFIOCFMXDK-IAGOWNOFSA-N 2 1 319.449 0.996 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000247261558 395970665 /nfs/dbraw/zinc/97/06/65/395970665.db2.gz YQAXWEHCESPQQV-KBPBESRZSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000247261558 395970667 /nfs/dbraw/zinc/97/06/67/395970667.db2.gz YQAXWEHCESPQQV-KBPBESRZSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC000247261558 395970669 /nfs/dbraw/zinc/97/06/69/395970669.db2.gz YQAXWEHCESPQQV-KBPBESRZSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC000247261558 395970671 /nfs/dbraw/zinc/97/06/71/395970671.db2.gz YQAXWEHCESPQQV-KBPBESRZSA-N 2 1 312.458 0.831 10 0 DCAEMP Cc1nnc([C@@H]2CC3(C[N@@H+]2CCO)CC[NH+](CCCO)CC3)o1 ZINC000257187695 396035388 /nfs/dbraw/zinc/03/53/88/396035388.db2.gz CBVWRWKWLAQFRR-AWEZNQCLSA-N 2 1 324.425 0.582 10 0 DCAEMP Cc1nnc([C@@H]2CC3(C[N@H+]2CCO)CC[NH+](CCCO)CC3)o1 ZINC000257187695 396035392 /nfs/dbraw/zinc/03/53/92/396035392.db2.gz CBVWRWKWLAQFRR-AWEZNQCLSA-N 2 1 324.425 0.582 10 0 DCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262258658 396116056 /nfs/dbraw/zinc/11/60/56/396116056.db2.gz MBLREZPJAQOAMJ-HNNXBMFYSA-N 2 1 319.453 0.952 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171904764 396127500 /nfs/dbraw/zinc/12/75/00/396127500.db2.gz LYTBLVPBSGEJDH-OAHLLOKOSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175620719 396140254 /nfs/dbraw/zinc/14/02/54/396140254.db2.gz UCUJITTVKMQCLC-DZGCQCFKSA-N 2 1 310.442 0.443 10 0 DCAEMP CNC(=O)c1ccn([C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261944083 396082784 /nfs/dbraw/zinc/08/27/84/396082784.db2.gz FAFBNPYXSDOPSD-CJNGLKHVSA-N 2 1 305.426 0.879 10 0 DCAEMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263279443 396211260 /nfs/dbraw/zinc/21/12/60/396211260.db2.gz TZLVSMBPKGNOMV-IUODEOHRSA-N 2 1 302.378 0.551 10 0 DCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000262942532 396193058 /nfs/dbraw/zinc/19/30/58/396193058.db2.gz ADCHPSPCRWBPQT-NFAWXSAZSA-N 2 1 312.458 0.275 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000185049448 396316161 /nfs/dbraw/zinc/31/61/61/396316161.db2.gz NNFICODHTXDYBC-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000185049448 396316162 /nfs/dbraw/zinc/31/61/62/396316162.db2.gz NNFICODHTXDYBC-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP C[C@@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[C@H](C)[NH3+] ZINC000192111529 396430043 /nfs/dbraw/zinc/43/00/43/396430043.db2.gz AFQGNYCVUIYAHA-KGLIPLIRSA-N 2 1 324.469 0.372 10 0 DCAEMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000114456491 158153299 /nfs/dbraw/zinc/15/32/99/158153299.db2.gz ZTVLZGMONLOGEC-UONOGXRCSA-N 2 1 324.469 0.561 10 0 DCAEMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237202907 158637454 /nfs/dbraw/zinc/63/74/54/158637454.db2.gz KZFCZTLKUADQEP-PMPSAXMXSA-N 2 1 308.470 0.661 10 0 DCAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[N@H+](CCO)CC2)n1 ZINC000329159911 159069087 /nfs/dbraw/zinc/06/90/87/159069087.db2.gz XWRITJCYRNTHAU-UHFFFAOYSA-N 2 1 302.382 0.475 10 0 DCAEMP Cc1[nH+]ccn1-c1cncc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000329159911 159069088 /nfs/dbraw/zinc/06/90/88/159069088.db2.gz XWRITJCYRNTHAU-UHFFFAOYSA-N 2 1 302.382 0.475 10 0 DCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000249463469 287111218 /nfs/dbraw/zinc/11/12/18/287111218.db2.gz GATSDPABCOLERS-YRGRVCCFSA-N 2 1 303.472 0.586 10 0 DCAEMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333595237 415693803 /nfs/dbraw/zinc/69/38/03/415693803.db2.gz BKNNFXXBXJPEAM-AICCOOGYSA-N 2 1 312.458 0.327 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000113595642 415718044 /nfs/dbraw/zinc/71/80/44/415718044.db2.gz XPMTWMYIBLRHRW-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113595642 415718048 /nfs/dbraw/zinc/71/80/48/415718048.db2.gz XPMTWMYIBLRHRW-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113595642 415718053 /nfs/dbraw/zinc/71/80/53/415718053.db2.gz XPMTWMYIBLRHRW-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333809340 415744235 /nfs/dbraw/zinc/74/42/35/415744235.db2.gz IYWJYFSIHBLFQM-KGLIPLIRSA-N 2 1 312.458 0.615 10 0 DCAEMP CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000164923730 416018245 /nfs/dbraw/zinc/01/82/45/416018245.db2.gz OOFUADMZEAENIO-CVEARBPZSA-N 2 1 317.433 0.662 10 0 DCAEMP C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181394000 416206241 /nfs/dbraw/zinc/20/62/41/416206241.db2.gz VJCBRSFNQHUDPU-BBRMVZONSA-N 2 1 319.453 0.919 10 0 DCAEMP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181394018 416206460 /nfs/dbraw/zinc/20/64/60/416206460.db2.gz VJCBRSFNQHUDPU-CJNGLKHVSA-N 2 1 319.453 0.919 10 0 DCAEMP CC1(OCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC000381844528 417085781 /nfs/dbraw/zinc/08/57/81/417085781.db2.gz VPCHBIYFHZTTRF-HNNXBMFYSA-N 2 1 303.406 0.756 10 0 DCAEMP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643774021 417348184 /nfs/dbraw/zinc/34/81/84/417348184.db2.gz FQJJZYOFXIOLDA-DLBZAZTESA-N 2 1 317.433 0.955 10 0 DCAEMP Cc1cc(CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)on1 ZINC000556847484 288399248 /nfs/dbraw/zinc/39/92/48/288399248.db2.gz FIJKQIFYDXQTIQ-UHFFFAOYSA-N 2 1 316.409 0.857 10 0 DCAEMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154562951 521741954 /nfs/dbraw/zinc/74/19/54/521741954.db2.gz HNBHLBKGYJGGDM-WCQYABFASA-N 2 1 307.398 0.890 10 0 DCAEMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154562951 521741955 /nfs/dbraw/zinc/74/19/55/521741955.db2.gz HNBHLBKGYJGGDM-WCQYABFASA-N 2 1 307.398 0.890 10 0 DCAEMP CC[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000117470164 523232660 /nfs/dbraw/zinc/23/26/60/523232660.db2.gz MPHCOAVXAPEVAU-HNNXBMFYSA-N 2 1 312.458 0.833 10 0 DCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000162197165 658090770 /nfs/dbraw/zinc/09/07/70/658090770.db2.gz NHYJKESUSGVFDP-OAHLLOKOSA-N 2 1 309.454 0.920 10 0 DCAEMP CC(C)([NH3+])CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178773717 661550512 /nfs/dbraw/zinc/55/05/12/661550512.db2.gz ZLHHDJQDLJAIIV-OAHLLOKOSA-N 2 1 305.422 0.992 10 0 DCAEMP O=C(NC[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261829393 661734452 /nfs/dbraw/zinc/73/44/52/661734452.db2.gz KVSWITFIIHWKSC-LSDHHAIUSA-N 2 1 322.453 0.189 10 0 DCAEMP C[C@@H](CCNS(=O)(=O)C1C[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000405204765 774153934 /nfs/dbraw/zinc/15/39/34/774153934.db2.gz WEXIAZFTCAVHSI-ZDUSSCGKSA-N 2 1 311.451 0.788 10 0 DCAEMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302013592 530052709 /nfs/dbraw/zinc/05/27/09/530052709.db2.gz DNDDHDUYDJQTNM-CQSZACIVSA-N 2 1 317.437 0.787 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302013592 530052710 /nfs/dbraw/zinc/05/27/10/530052710.db2.gz DNDDHDUYDJQTNM-CQSZACIVSA-N 2 1 317.437 0.787 10 0 DCAEMP NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000284883010 131119558 /nfs/dbraw/zinc/11/95/58/131119558.db2.gz QSUPTZKEPQIVPQ-HNNXBMFYSA-N 2 1 301.350 0.080 10 0 DCAEMP COCC[NH2+]CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000237202395 395906834 /nfs/dbraw/zinc/90/68/34/395906834.db2.gz AKIKNQGKJCQLBS-UHFFFAOYSA-N 2 1 321.421 0.371 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000246972131 395962905 /nfs/dbraw/zinc/96/29/05/395962905.db2.gz GBTHDJBTOIUHOR-HUUCEWRRSA-N 2 1 314.474 0.983 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246972131 395962907 /nfs/dbraw/zinc/96/29/07/395962907.db2.gz GBTHDJBTOIUHOR-HUUCEWRRSA-N 2 1 314.474 0.983 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246972131 395962909 /nfs/dbraw/zinc/96/29/09/395962909.db2.gz GBTHDJBTOIUHOR-HUUCEWRRSA-N 2 1 314.474 0.983 10 0 DCAEMP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000247295849 395970650 /nfs/dbraw/zinc/97/06/50/395970650.db2.gz ZKYBZNLWISCEQT-GXTWGEPZSA-N 2 1 306.410 0.000 10 0 DCAEMP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(=O)n(C)c1=O ZINC000247295849 395970651 /nfs/dbraw/zinc/97/06/51/395970651.db2.gz ZKYBZNLWISCEQT-GXTWGEPZSA-N 2 1 306.410 0.000 10 0 DCAEMP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(=O)n(C)c1=O ZINC000247295849 395970653 /nfs/dbraw/zinc/97/06/53/395970653.db2.gz ZKYBZNLWISCEQT-GXTWGEPZSA-N 2 1 306.410 0.000 10 0 DCAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000261619590 396049793 /nfs/dbraw/zinc/04/97/93/396049793.db2.gz AQXJFYZPPYURJP-UHFFFAOYSA-N 2 1 313.405 0.736 10 0 DCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000261619590 396049796 /nfs/dbraw/zinc/04/97/96/396049796.db2.gz AQXJFYZPPYURJP-UHFFFAOYSA-N 2 1 313.405 0.736 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696257 396057590 /nfs/dbraw/zinc/05/75/90/396057590.db2.gz JQDZIWGWTQMNPR-OCCSQVGLSA-N 2 1 318.425 0.511 10 0 DCAEMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152394796 396008041 /nfs/dbraw/zinc/00/80/41/396008041.db2.gz XXWIBCRESVKRAE-UONOGXRCSA-N 2 1 324.469 0.386 10 0 DCAEMP C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250382093 396014283 /nfs/dbraw/zinc/01/42/83/396014283.db2.gz JLCSDIDSWKMMKT-JKXDFHQYSA-N 2 1 315.483 0.873 10 0 DCAEMP CC(C)OCC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262013406 396090105 /nfs/dbraw/zinc/09/01/05/396090105.db2.gz OFHDNOUGGFTDNL-OAHLLOKOSA-N 2 1 313.442 0.310 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270659 396210306 /nfs/dbraw/zinc/21/03/06/396210306.db2.gz SDGMUVDVCPHOGP-GOEBONIOSA-N 2 1 304.369 0.740 10 0 DCAEMP CCOC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263298493 396212964 /nfs/dbraw/zinc/21/29/64/396212964.db2.gz WRPIKFQPUIJNFT-HIFRSBDPSA-N 2 1 308.378 0.298 10 0 DCAEMP C[C@@H](O)CN1CCN(C(=O)c2cnccc2N(C)C)C[C@@H]1C ZINC000183587640 396272089 /nfs/dbraw/zinc/27/20/89/396272089.db2.gz PQOPHMPZXAPMTL-QWHCGFSZSA-N 2 1 306.410 0.675 10 0 DCAEMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192111524 396429895 /nfs/dbraw/zinc/42/98/95/396429895.db2.gz AFQGNYCVUIYAHA-KBPBESRZSA-N 2 1 324.469 0.372 10 0 DCAEMP Cn1ncnc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397500946 397312808 /nfs/dbraw/zinc/31/28/08/397312808.db2.gz XUBATQHAUYHMCY-UHFFFAOYSA-N 2 1 315.421 0.932 10 0 DCAEMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000051907843 158015173 /nfs/dbraw/zinc/01/51/73/158015173.db2.gz KEZLRXNRBLYNPX-AWEZNQCLSA-N 2 1 324.469 0.387 10 0 DCAEMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000090003945 158100714 /nfs/dbraw/zinc/10/07/14/158100714.db2.gz RNUNKUJJOVYNMK-GFCCVEGCSA-N 2 1 305.382 0.226 10 0 DCAEMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000090003945 158100717 /nfs/dbraw/zinc/10/07/17/158100717.db2.gz RNUNKUJJOVYNMK-GFCCVEGCSA-N 2 1 305.382 0.226 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117468553 158171527 /nfs/dbraw/zinc/17/15/27/158171527.db2.gz LSHSEPZOWLLWQD-CQSZACIVSA-N 2 1 300.447 0.690 10 0 DCAEMP 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/nfs/dbraw/zinc/20/34/74/396203474.db2.gz DFPBAQOANXILAU-WDEREUQCSA-N 2 1 302.321 0.967 10 0 DCAEMP CC(C)NC(=O)CN(C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000608145903 397718417 /nfs/dbraw/zinc/71/84/17/397718417.db2.gz MZOOPYMJMCBKAI-GOOCMWNKSA-N 2 1 324.469 0.574 10 0 DCAEMP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387334 158382046 /nfs/dbraw/zinc/38/20/46/158382046.db2.gz PVXIBKCTYLNYHO-ZDUSSCGKSA-N 2 1 311.426 0.472 10 0 DCAEMP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088684 /nfs/dbraw/zinc/08/86/84/287088684.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 2 1 324.469 0.548 10 0 DCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088687 /nfs/dbraw/zinc/08/86/87/287088687.db2.gz FTNLQCQRRIPUAW-TUVASFSCSA-N 2 1 324.469 0.548 10 0 DCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000246879688 287088689 /nfs/dbraw/zinc/08/86/89/287088689.db2.gz 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/nfs/dbraw/zinc/31/15/88/396311588.db2.gz NDCZPXPKVBVHIA-CABCVRRESA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000184935436 396311590 /nfs/dbraw/zinc/31/15/90/396311590.db2.gz NDCZPXPKVBVHIA-CABCVRRESA-N 2 1 312.458 0.569 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000113592933 158149051 /nfs/dbraw/zinc/14/90/51/158149051.db2.gz LFRMMPDOIJAPDC-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000122021255 158217791 /nfs/dbraw/zinc/21/77/91/158217791.db2.gz BYFWKOBAGXHNQM-CQSZACIVSA-N 2 1 306.410 0.532 10 0 DCAEMP CCN(CC)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136064378 158341801 /nfs/dbraw/zinc/34/18/01/158341801.db2.gz JAUDHYZGMRNFBO-MRXNPFEDSA-N 2 1 310.486 0.957 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136064378 158341803 /nfs/dbraw/zinc/34/18/03/158341803.db2.gz JAUDHYZGMRNFBO-MRXNPFEDSA-N 2 1 310.486 0.957 10 0 DCAEMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000167518769 158369452 /nfs/dbraw/zinc/36/94/52/158369452.db2.gz UHHZOILIDDSZOK-INIZCTEOSA-N 2 1 321.421 0.622 10 0 DCAEMP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171906781 158388890 /nfs/dbraw/zinc/38/88/90/158388890.db2.gz CXLPMHGLDZSMJW-MRXNPFEDSA-N 2 1 324.469 0.977 10 0 DCAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366133550 159279795 /nfs/dbraw/zinc/27/97/95/159279795.db2.gz YCTSEHKAJGPJOQ-OAHLLOKOSA-N 2 1 305.382 0.646 10 0 DCAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366133550 159279799 /nfs/dbraw/zinc/27/97/99/159279799.db2.gz YCTSEHKAJGPJOQ-OAHLLOKOSA-N 2 1 305.382 0.646 10 0 DCAEMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029793 160015794 /nfs/dbraw/zinc/01/57/94/160015794.db2.gz JGPLVSYNJXJHBM-KFWWJZLASA-N 2 1 319.453 0.679 10 0 DCAEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029793 160015796 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/nfs/dbraw/zinc/76/73/88/415767388.db2.gz UXFZSNCGCKJZSQ-UYSNPLJNSA-N 2 1 323.485 0.596 10 0 DCAEMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333946702 415767393 /nfs/dbraw/zinc/76/73/93/415767393.db2.gz UXFZSNCGCKJZSQ-UYSNPLJNSA-N 2 1 323.485 0.596 10 0 DCAEMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000178700051 416168864 /nfs/dbraw/zinc/16/88/64/416168864.db2.gz OVFAOKZJTKYAHU-ILXRZTDVSA-N 2 1 322.453 0.187 10 0 DCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000178728443 416170584 /nfs/dbraw/zinc/17/05/84/416170584.db2.gz MLNGHSHVMYKNFF-KRWDZBQOSA-N 2 1 316.449 0.672 10 0 DCAEMP CC1=CC[N@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000358194630 416208661 /nfs/dbraw/zinc/20/86/61/416208661.db2.gz SECFMGWGRHOHMM-INIZCTEOSA-N 2 1 324.469 0.906 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000358194630 416208664 /nfs/dbraw/zinc/20/86/64/416208664.db2.gz SECFMGWGRHOHMM-INIZCTEOSA-N 2 1 324.469 0.906 10 0 DCAEMP 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/nfs/dbraw/zinc/10/12/90/417101290.db2.gz RCPOBMJYOINITN-UHFFFAOYSA-N 2 1 304.438 0.611 10 0 DCAEMP C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000568583724 417149655 /nfs/dbraw/zinc/14/96/55/417149655.db2.gz AUQARFSWDIRCOS-UHFFFAOYSA-N 2 1 301.350 0.437 10 0 DCAEMP Cn1cc(N2CCC[C@@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639373 277198287 /nfs/dbraw/zinc/19/82/87/277198287.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1cc(N2CCC[C@@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639373 277198288 /nfs/dbraw/zinc/19/82/88/277198288.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1cc(N2CCC[C@@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639373 277198290 /nfs/dbraw/zinc/19/82/90/277198290.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1cc(N2CCC[C@@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193639373 277198291 /nfs/dbraw/zinc/19/82/91/277198291.db2.gz MTDGZJYJGVNUTE-VNHYZAJKSA-N 2 1 303.410 0.409 10 0 DCAEMP CC[N@H+](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)C1CC1 ZINC000262347034 279057771 /nfs/dbraw/zinc/05/77/71/279057771.db2.gz HXHJRPKUXVEQQK-UHFFFAOYSA-N 2 1 306.414 0.705 10 0 DCAEMP CC[N@@H+](CC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)C1CC1 ZINC000262347034 279057772 /nfs/dbraw/zinc/05/77/72/279057772.db2.gz HXHJRPKUXVEQQK-UHFFFAOYSA-N 2 1 306.414 0.705 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333806175 280362188 /nfs/dbraw/zinc/36/21/88/280362188.db2.gz IOACKYUIODGTPC-OWCLPIDISA-N 2 1 324.469 0.881 10 0 DCAEMP C[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000156065929 524465813 /nfs/dbraw/zinc/46/58/13/524465813.db2.gz MWCBQDZFVSFJMF-HOCLYGCPSA-N 2 1 309.454 0.945 10 0 DCAEMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000261936057 661872373 /nfs/dbraw/zinc/87/23/73/661872373.db2.gz MFPFXRWCWRQVEM-GMTAPVOTSA-N 2 1 309.332 0.412 10 0 DCAEMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)NCC(F)(F)F ZINC000261936055 661872762 /nfs/dbraw/zinc/87/27/62/661872762.db2.gz MFPFXRWCWRQVEM-AXFHLTTASA-N 2 1 309.332 0.412 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CCO1 ZINC000896415607 662269800 /nfs/dbraw/zinc/26/98/00/662269800.db2.gz MHERLZBWVYEJHO-WFASDCNBSA-N 2 1 321.425 0.579 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CCO1 ZINC000896415607 662269801 /nfs/dbraw/zinc/26/98/01/662269801.db2.gz MHERLZBWVYEJHO-WFASDCNBSA-N 2 1 321.425 0.579 10 0 DCAEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000702086895 666913924 /nfs/dbraw/zinc/91/39/24/666913924.db2.gz OQUBOSXMZIKGKW-MELADBBJSA-N 2 1 301.456 0.199 10 0 DCAEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000702086895 666913926 /nfs/dbraw/zinc/91/39/26/666913926.db2.gz OQUBOSXMZIKGKW-MELADBBJSA-N 2 1 301.456 0.199 10 0 DCAEMP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702955472 667018084 /nfs/dbraw/zinc/01/80/84/667018084.db2.gz VHLORXVOWGWQOR-WTUNAVPPSA-N 2 1 301.456 0.531 10 0 DCAEMP CS(=O)(=O)N[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702974670 667022248 /nfs/dbraw/zinc/02/22/48/667022248.db2.gz FPNUIFDREGHSTK-GSPSYOTPSA-N 2 1 301.456 0.531 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000111867585 285022016 /nfs/dbraw/zinc/02/20/16/285022016.db2.gz SQAAFWPUKOXFFO-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000111867585 285022017 /nfs/dbraw/zinc/02/20/17/285022017.db2.gz SQAAFWPUKOXFFO-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000111867585 285022018 /nfs/dbraw/zinc/02/20/18/285022018.db2.gz SQAAFWPUKOXFFO-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237131909 395903840 /nfs/dbraw/zinc/90/38/40/395903840.db2.gz NXULYRSCDQHTRK-SNPRPXQTSA-N 2 1 322.453 0.234 10 0 DCAEMP CC[N@H+](CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C1CC1 ZINC000246091190 395941210 /nfs/dbraw/zinc/94/12/10/395941210.db2.gz HAVXLAOQVMEVEV-HOCLYGCPSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C1CC1 ZINC000246091190 395941214 /nfs/dbraw/zinc/94/12/14/395941214.db2.gz HAVXLAOQVMEVEV-HOCLYGCPSA-N 2 1 324.469 0.833 10 0 DCAEMP CCOc1ccc(OCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261782028 396065138 /nfs/dbraw/zinc/06/51/38/396065138.db2.gz SDKYTFKHEMDCSS-UHFFFAOYSA-N 2 1 321.421 0.828 10 0 DCAEMP CCOc1ccc(OCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261782028 396065141 /nfs/dbraw/zinc/06/51/41/396065141.db2.gz SDKYTFKHEMDCSS-UHFFFAOYSA-N 2 1 321.421 0.828 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000249188289 396004555 /nfs/dbraw/zinc/00/45/55/396004555.db2.gz OPUYDQZCKOKNHS-KGLIPLIRSA-N 2 1 301.456 0.581 10 0 DCAEMP C[C@H]1COCCN1CC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249515115 396009226 /nfs/dbraw/zinc/00/92/26/396009226.db2.gz IWDKABPEZUCNFL-ZWKOTPCHSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1COCCN1CC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249515115 396009228 /nfs/dbraw/zinc/00/92/28/396009228.db2.gz IWDKABPEZUCNFL-ZWKOTPCHSA-N 2 1 324.513 0.809 10 0 DCAEMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262022581 396090790 /nfs/dbraw/zinc/09/07/90/396090790.db2.gz WTPKGMRHNSYLIL-BBWFWOEESA-N 2 1 309.454 0.992 10 0 DCAEMP O=C(N1CC[N@H+]2CCC[C@@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262142553 396103720 /nfs/dbraw/zinc/10/37/20/396103720.db2.gz HHVLVEMTNHTQNS-CQSZACIVSA-N 2 1 303.410 0.268 10 0 DCAEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262300352 396120434 /nfs/dbraw/zinc/12/04/34/396120434.db2.gz PNVJFOFNHUDFME-IMJJTQAJSA-N 2 1 319.453 0.523 10 0 DCAEMP COc1cc(C)nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000262331309 396125197 /nfs/dbraw/zinc/12/51/97/396125197.db2.gz SNACIRIMYJRGOJ-ZDUSSCGKSA-N 2 1 306.410 0.686 10 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158395979 /nfs/dbraw/zinc/39/59/79/158395979.db2.gz FPEWWLHQGVUPPK-HNNXBMFYSA-N 2 1 308.470 0.709 10 0 DCAEMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000172542781 158395982 /nfs/dbraw/zinc/39/59/82/158395982.db2.gz FPEWWLHQGVUPPK-HNNXBMFYSA-N 2 1 308.470 0.709 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000246340419 287081452 /nfs/dbraw/zinc/08/14/52/287081452.db2.gz OJJSDLMBCRJIRS-IJEWVQPXSA-N 2 1 324.469 0.758 10 0 DCAEMP CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000107281154 415664043 /nfs/dbraw/zinc/66/40/43/415664043.db2.gz XQUYRRATQDRJHF-MRXNPFEDSA-N 2 1 310.486 0.955 10 0 DCAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107281154 415664047 /nfs/dbraw/zinc/66/40/47/415664047.db2.gz XQUYRRATQDRJHF-MRXNPFEDSA-N 2 1 310.486 0.955 10 0 DCAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107281154 415664054 /nfs/dbraw/zinc/66/40/54/415664054.db2.gz XQUYRRATQDRJHF-MRXNPFEDSA-N 2 1 310.486 0.955 10 0 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/nfs/dbraw/zinc/16/10/88/416161088.db2.gz DBDIAMAAZIOYIQ-HNNXBMFYSA-N 2 1 306.410 0.905 10 0 DCAEMP CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362066620 416553957 /nfs/dbraw/zinc/55/39/57/416553957.db2.gz NKMZSIDCJGHFEQ-INIZCTEOSA-N 2 1 308.470 0.615 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638447758 417460216 /nfs/dbraw/zinc/46/02/16/417460216.db2.gz HXRAKAWJXKLNKN-WBVHZDCISA-N 2 1 317.433 0.955 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638447758 417460218 /nfs/dbraw/zinc/46/02/18/417460218.db2.gz HXRAKAWJXKLNKN-WBVHZDCISA-N 2 1 317.433 0.955 10 0 DCAEMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000577239806 417675434 /nfs/dbraw/zinc/67/54/34/417675434.db2.gz RMPUIXUOSOTDEP-JALIKCBVSA-N 2 1 322.453 0.280 10 0 DCAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106529883 276336018 /nfs/dbraw/zinc/33/60/18/276336018.db2.gz NVJNQPGRFGGRQM-GJZGRUSLSA-N 2 1 313.490 0.652 10 0 DCAEMP CNS(=O)(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000408424704 277034848 /nfs/dbraw/zinc/03/48/48/277034848.db2.gz GZGKTXXEEMSEAH-ZFWWWQNUSA-N 2 1 315.483 0.874 10 0 DCAEMP CNS(=O)(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000408424704 277034849 /nfs/dbraw/zinc/03/48/49/277034849.db2.gz GZGKTXXEEMSEAH-ZFWWWQNUSA-N 2 1 315.483 0.874 10 0 DCAEMP CNS(=O)(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000408424704 277034852 /nfs/dbraw/zinc/03/48/52/277034852.db2.gz GZGKTXXEEMSEAH-ZFWWWQNUSA-N 2 1 315.483 0.874 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000247531999 277211247 /nfs/dbraw/zinc/21/12/47/277211247.db2.gz XPMTWMYIBLRHRW-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247531999 277211249 /nfs/dbraw/zinc/21/12/49/277211249.db2.gz XPMTWMYIBLRHRW-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247531999 277211250 /nfs/dbraw/zinc/21/12/50/277211250.db2.gz XPMTWMYIBLRHRW-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCOCC1 ZINC000261919474 289059752 /nfs/dbraw/zinc/05/97/52/289059752.db2.gz KBKXSRIZXMWLFF-ARFHVFGLSA-N 2 1 311.470 0.844 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000333677156 546088894 /nfs/dbraw/zinc/08/88/94/546088894.db2.gz OERFKZBXTDPSFJ-FPCVCCKLSA-N 2 1 324.469 0.737 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333795001 546092982 /nfs/dbraw/zinc/09/29/82/546092982.db2.gz GVCWCZHDSZWZDI-CVEARBPZSA-N 2 1 323.485 0.407 10 0 DCAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000702430607 666956426 /nfs/dbraw/zinc/95/64/26/666956426.db2.gz NQUGRPBFNKGDNZ-IRXDYDNUSA-N 2 1 318.465 0.856 10 0 DCAEMP COC[C@@]1(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[NH2+]CCO1 ZINC000710821800 667446315 /nfs/dbraw/zinc/44/63/15/667446315.db2.gz GROIOIYLOYMKTP-QGZVFWFLSA-N 2 1 321.421 0.240 10 0 DCAEMP Cn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000397507865 1158100714 /nfs/dbraw/zinc/10/07/14/1158100714.db2.gz KMUCISDPHCLSJK-UHFFFAOYSA-N 2 1 315.421 0.932 10 0 DCAEMP Cn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000111241404 395805033 /nfs/dbraw/zinc/80/50/33/395805033.db2.gz FDFNIHRMMQREGQ-UHFFFAOYSA-N 2 1 319.453 0.796 10 0 DCAEMP C[C@H](CN1CCOCC1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245936373 395938452 /nfs/dbraw/zinc/93/84/52/395938452.db2.gz ABNNCBCQWVOVFP-CVEARBPZSA-N 2 1 313.486 0.732 10 0 DCAEMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000246187373 395943362 /nfs/dbraw/zinc/94/33/62/395943362.db2.gz MFDTTZFEFXKYSJ-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000246187373 395943364 /nfs/dbraw/zinc/94/33/64/395943364.db2.gz MFDTTZFEFXKYSJ-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000249188287 396004091 /nfs/dbraw/zinc/00/40/91/396004091.db2.gz OPUYDQZCKOKNHS-KBPBESRZSA-N 2 1 301.456 0.581 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000262119096 396101260 /nfs/dbraw/zinc/10/12/60/396101260.db2.gz FSWPGCLJJWUJQX-JMGFVUJMSA-N 2 1 317.437 0.465 10 0 DCAEMP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000262271066 396116695 /nfs/dbraw/zinc/11/66/95/396116695.db2.gz NAOCALQXINXXMN-KBPBESRZSA-N 2 1 313.442 0.046 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000262332040 396125524 /nfs/dbraw/zinc/12/55/24/396125524.db2.gz SISAPVXNHMOXRE-IMJJTQAJSA-N 2 1 321.396 0.487 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000262332040 396125529 /nfs/dbraw/zinc/12/55/29/396125529.db2.gz SISAPVXNHMOXRE-IMJJTQAJSA-N 2 1 321.396 0.487 10 0 DCAEMP CSc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)OCCO2 ZINC000263189742 396205460 /nfs/dbraw/zinc/20/54/60/396205460.db2.gz HQZBSTXWIIHBCW-VXGBXAGGSA-N 2 1 310.419 0.850 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262647229 396167849 /nfs/dbraw/zinc/16/78/49/396167849.db2.gz ORNBIUCLADJHBJ-VQHPVUNQSA-N 2 1 322.497 0.907 10 0 DCAEMP c1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC000634812243 396921897 /nfs/dbraw/zinc/92/18/97/396921897.db2.gz CTNQSMZMRFQPEV-ZIAGYGMSSA-N 2 1 303.410 0.892 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000114022662 158150793 /nfs/dbraw/zinc/15/07/93/158150793.db2.gz GZLXXEWVYVGKQN-CQSZACIVSA-N 2 1 312.458 0.881 10 0 DCAEMP CN1CCC([NH+]2CCC(NC(=O)CC[S@@](C)=O)CC2)CC1 ZINC000127457708 158273338 /nfs/dbraw/zinc/27/33/38/158273338.db2.gz HAZKFDGQUFGVEW-NRFANRHFSA-N 2 1 315.483 0.430 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129954318 158292184 /nfs/dbraw/zinc/29/21/84/158292184.db2.gz IHHCNXWNEAJGSN-LSDHHAIUSA-N 2 1 312.458 0.690 10 0 DCAEMP CCN(CC(=O)N1CCCN(Cc2cnn(C)c2)CC1)C1CC1 ZINC000132172329 158307927 /nfs/dbraw/zinc/30/79/27/158307927.db2.gz GILBOMCLWDLRHG-UHFFFAOYSA-N 2 1 319.453 0.939 10 0 DCAEMP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353442938 415547279 /nfs/dbraw/zinc/54/72/79/415547279.db2.gz DOJFFEWVTZROKS-BBWFWOEESA-N 2 1 308.470 0.613 10 0 DCAEMP CC(C)OCC[NH+]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333769294 415736166 /nfs/dbraw/zinc/73/61/66/415736166.db2.gz BTNCJXKYNCYPEQ-HNNXBMFYSA-N 2 1 312.458 0.881 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000174623820 416081691 /nfs/dbraw/zinc/08/16/91/416081691.db2.gz QTBYGBHGBPIHRG-KGLIPLIRSA-N 2 1 300.447 0.689 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174623820 416081695 /nfs/dbraw/zinc/08/16/95/416081695.db2.gz QTBYGBHGBPIHRG-KGLIPLIRSA-N 2 1 300.447 0.689 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174623820 416081699 /nfs/dbraw/zinc/08/16/99/416081699.db2.gz QTBYGBHGBPIHRG-KGLIPLIRSA-N 2 1 300.447 0.689 10 0 DCAEMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175811814 416114771 /nfs/dbraw/zinc/11/47/71/416114771.db2.gz KDPBROLPVQAWDJ-ARFHVFGLSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175811814 416114774 /nfs/dbraw/zinc/11/47/74/416114774.db2.gz KDPBROLPVQAWDJ-ARFHVFGLSA-N 2 1 324.469 0.833 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC1CCOCC1 ZINC000178335832 416160675 /nfs/dbraw/zinc/16/06/75/416160675.db2.gz LOMFIMUVLPYTKV-OAHLLOKOSA-N 2 1 306.410 0.951 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC1CCOCC1 ZINC000178335832 416160677 /nfs/dbraw/zinc/16/06/77/416160677.db2.gz LOMFIMUVLPYTKV-OAHLLOKOSA-N 2 1 306.410 0.951 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000195178925 416325517 /nfs/dbraw/zinc/32/55/17/416325517.db2.gz HDAMRUSZHSJFIK-NSHDSACASA-N 2 1 319.413 0.714 10 0 DCAEMP CC(C)CN1CCO[C@@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000195178925 416325518 /nfs/dbraw/zinc/32/55/18/416325518.db2.gz HDAMRUSZHSJFIK-NSHDSACASA-N 2 1 319.413 0.714 10 0 DCAEMP c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000372706023 416942402 /nfs/dbraw/zinc/94/24/02/416942402.db2.gz LYYQOAMNISZKMQ-KGLIPLIRSA-N 2 1 303.410 1.352 10 0 DCAEMP c1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000372706023 416942407 /nfs/dbraw/zinc/94/24/07/416942407.db2.gz LYYQOAMNISZKMQ-KGLIPLIRSA-N 2 1 303.410 1.352 10 0 DCAEMP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638447755 417460627 /nfs/dbraw/zinc/46/06/27/417460627.db2.gz HXRAKAWJXKLNKN-DOTOQJQBSA-N 2 1 317.433 0.955 10 0 DCAEMP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638447755 417460632 /nfs/dbraw/zinc/46/06/32/417460632.db2.gz HXRAKAWJXKLNKN-DOTOQJQBSA-N 2 1 317.433 0.955 10 0 DCAEMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000532212705 417667279 /nfs/dbraw/zinc/66/72/79/417667279.db2.gz CJDBKIZHGZGQJY-HOTGVXAUSA-N 2 1 300.443 0.961 10 0 DCAEMP 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546088822 /nfs/dbraw/zinc/08/88/22/546088822.db2.gz OERFKZBXTDPSFJ-JJXSEGSLSA-N 2 1 324.469 0.737 10 0 DCAEMP CC(C)([NH3+])CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178773705 661550675 /nfs/dbraw/zinc/55/06/75/661550675.db2.gz ZLHHDJQDLJAIIV-HNNXBMFYSA-N 2 1 305.422 0.992 10 0 DCAEMP C(c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@H]1CSCC[NH2+]1 ZINC000227578147 664536332 /nfs/dbraw/zinc/53/63/32/664536332.db2.gz XHQMTUXBQUBGFX-TUAOUCFPSA-N 2 1 310.423 0.853 10 0 DCAEMP C(c1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@H]1CSCC[NH2+]1 ZINC000227578147 664536334 /nfs/dbraw/zinc/53/63/34/664536334.db2.gz XHQMTUXBQUBGFX-TUAOUCFPSA-N 2 1 310.423 0.853 10 0 DCAEMP Cc1noc(C)c1CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000084734490 685087918 /nfs/dbraw/zinc/08/79/18/685087918.db2.gz SWQCNZDSPWOFTG-UHFFFAOYSA-N 2 1 323.441 0.851 10 0 DCAEMP COCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938355 685237908 /nfs/dbraw/zinc/23/79/08/685237908.db2.gz LDFIQVXXKAVICR-CVEARBPZSA-N 2 1 305.422 0.989 10 0 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/nfs/dbraw/zinc/14/16/93/396141693.db2.gz JKLRESDPYNHMHN-IIAWOOMASA-N 2 1 324.469 0.831 10 0 DCAEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262300348 396120898 /nfs/dbraw/zinc/12/08/98/396120898.db2.gz PNVJFOFNHUDFME-BMFZPTHFSA-N 2 1 319.453 0.523 10 0 DCAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cn1 ZINC000261890229 396076371 /nfs/dbraw/zinc/07/63/71/396076371.db2.gz GJBLTOCRKZXFSU-NFAWXSAZSA-N 2 1 304.394 0.427 10 0 DCAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000261911078 396078825 /nfs/dbraw/zinc/07/88/25/396078825.db2.gz IZFZTBNYNVBPHV-BZUAXINKSA-N 2 1 311.470 0.844 10 0 DCAEMP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263200586 396205876 /nfs/dbraw/zinc/20/58/76/396205876.db2.gz IYKGHKPFNBXOJY-SJLPKXTDSA-N 3 1 318.465 0.498 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000263243844 396208496 /nfs/dbraw/zinc/20/84/96/396208496.db2.gz PAPDTXFBAIDQDV-SMDDNHRTSA-N 2 1 307.785 0.591 10 0 DCAEMP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178295422 396192591 /nfs/dbraw/zinc/19/25/91/396192591.db2.gz GDVNRGXRZHHKHX-CYBMUJFWSA-N 2 1 308.382 0.335 10 0 DCAEMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178295422 396192595 /nfs/dbraw/zinc/19/25/95/396192595.db2.gz GDVNRGXRZHHKHX-CYBMUJFWSA-N 2 1 308.382 0.335 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCOCC1 ZINC000263291932 396212113 /nfs/dbraw/zinc/21/21/13/396212113.db2.gz WOYNQYBXPYUFAT-QXSJWSMHSA-N 2 1 309.454 0.992 10 0 DCAEMP C[NH+](C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccco1 ZINC000188836813 396387164 /nfs/dbraw/zinc/38/71/64/396387164.db2.gz VUXXPLJWQIVWSH-GFCCVEGCSA-N 2 1 303.366 0.681 10 0 DCAEMP C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@@H]2C1 ZINC000192826694 396439168 /nfs/dbraw/zinc/43/91/68/396439168.db2.gz JXXZYYUDEJCATP-ZIAGYGMSSA-N 2 1 301.456 0.438 10 0 DCAEMP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309704605 396757715 /nfs/dbraw/zinc/75/77/15/396757715.db2.gz HGLXVLDYGSACCZ-JKSUJKDBSA-N 2 1 305.422 0.989 10 0 DCAEMP Cc1cccc(NC2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)[nH+]1 ZINC000365333916 397267641 /nfs/dbraw/zinc/26/76/41/397267641.db2.gz YXIDBGNKCCAJMY-UONOGXRCSA-N 2 1 304.394 0.516 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000105876532 158131142 /nfs/dbraw/zinc/13/11/42/158131142.db2.gz GLGAHEMDGDHULF-UHFFFAOYSA-N 2 1 320.437 0.924 10 0 DCAEMP CN1CCC([NH+]2CCC(NC(=O)CC[S@](C)=O)CC2)CC1 ZINC000127457471 158272593 /nfs/dbraw/zinc/27/25/93/158272593.db2.gz HAZKFDGQUFGVEW-OAQYLSRUSA-N 2 1 315.483 0.430 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2CCO[C@H](C)C2)CC1 ZINC000248948858 287103822 /nfs/dbraw/zinc/10/38/22/287103822.db2.gz CUEXXEKXHJBHSK-JKSUJKDBSA-N 2 1 313.486 0.732 10 0 DCAEMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000333821287 287147354 /nfs/dbraw/zinc/14/73/54/287147354.db2.gz KXEUZHLPMQCPEV-ZNMIVQPWSA-N 2 1 312.458 0.879 10 0 DCAEMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000333821287 287147356 /nfs/dbraw/zinc/14/73/56/287147356.db2.gz KXEUZHLPMQCPEV-ZNMIVQPWSA-N 2 1 312.458 0.879 10 0 DCAEMP C[C@@H]1C(=O)NCCC[N@@H+]1CCCC[NH+]1CCCNC(=O)[C@@H]1C ZINC000189315684 287179652 /nfs/dbraw/zinc/17/96/52/287179652.db2.gz LOISBZRSOMLXDQ-OKILXGFUSA-N 2 1 310.442 0.187 10 0 DCAEMP C[C@@H]1C(=O)NCCC[NH+]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189315684 287179654 /nfs/dbraw/zinc/17/96/54/287179654.db2.gz LOISBZRSOMLXDQ-OKILXGFUSA-N 2 1 310.442 0.187 10 0 DCAEMP C[C@@H]1C(=O)NCCC[NH+]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189315684 287179658 /nfs/dbraw/zinc/17/96/58/287179658.db2.gz LOISBZRSOMLXDQ-OKILXGFUSA-N 2 1 310.442 0.187 10 0 DCAEMP C[C@@H](CN1CCOCC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559226 415534867 /nfs/dbraw/zinc/53/48/67/415534867.db2.gz YFHNYBORARDDPG-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H](CN1CCOCC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091559226 415534873 /nfs/dbraw/zinc/53/48/73/415534873.db2.gz YFHNYBORARDDPG-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP CC[C@H](C(N)=O)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789350 415682044 /nfs/dbraw/zinc/68/20/44/415682044.db2.gz SQMHYTBJSOBVQZ-CQSZACIVSA-N 2 1 310.442 0.126 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000111867936 415700442 /nfs/dbraw/zinc/70/04/42/415700442.db2.gz SIYHOWKVFGCJLV-INIZCTEOSA-N 2 1 324.469 0.834 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000173504554 416060117 /nfs/dbraw/zinc/06/01/17/416060117.db2.gz NTKCJLGCHKUJNI-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)no1 ZINC000328634338 416124972 /nfs/dbraw/zinc/12/49/72/416124972.db2.gz MPLXEBMETVUTKY-LBPRGKRZSA-N 2 1 303.366 1.312 10 0 DCAEMP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)no1 ZINC000328634338 416124976 /nfs/dbraw/zinc/12/49/76/416124976.db2.gz MPLXEBMETVUTKY-LBPRGKRZSA-N 2 1 303.366 1.312 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000174623831 416081473 /nfs/dbraw/zinc/08/14/73/416081473.db2.gz QTBYGBHGBPIHRG-KBPBESRZSA-N 2 1 300.447 0.689 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174623831 416081475 /nfs/dbraw/zinc/08/14/75/416081475.db2.gz QTBYGBHGBPIHRG-KBPBESRZSA-N 2 1 300.447 0.689 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174623831 416081478 /nfs/dbraw/zinc/08/14/78/416081478.db2.gz QTBYGBHGBPIHRG-KBPBESRZSA-N 2 1 300.447 0.689 10 0 DCAEMP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000535260893 416518480 /nfs/dbraw/zinc/51/84/80/416518480.db2.gz HYSQPENNROJVSG-HUUCEWRRSA-N 2 1 303.410 0.841 10 0 DCAEMP CC1(OCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC000381844529 417086910 /nfs/dbraw/zinc/08/69/10/417086910.db2.gz VPCHBIYFHZTTRF-OAHLLOKOSA-N 2 1 303.406 0.756 10 0 DCAEMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000638802731 417561673 /nfs/dbraw/zinc/56/16/73/417561673.db2.gz BZAZVWGEKGDMLI-IRXDYDNUSA-N 2 1 317.433 0.861 10 0 DCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000638833721 417565870 /nfs/dbraw/zinc/56/58/70/417565870.db2.gz BMYVCUDAFOQFAH-HYVNUMGLSA-N 2 1 317.433 0.859 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000638833721 417565875 /nfs/dbraw/zinc/56/58/75/417565875.db2.gz BMYVCUDAFOQFAH-HYVNUMGLSA-N 2 1 317.433 0.859 10 0 DCAEMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743302 417883422 /nfs/dbraw/zinc/88/34/22/417883422.db2.gz XDLVCZKTPDYCJY-DLBZAZTESA-N 2 1 316.449 0.528 10 0 DCAEMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000662743302 417883428 /nfs/dbraw/zinc/88/34/28/417883428.db2.gz XDLVCZKTPDYCJY-DLBZAZTESA-N 2 1 316.449 0.528 10 0 DCAEMP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000649332191 418240000 /nfs/dbraw/zinc/24/00/00/418240000.db2.gz DQJBONLDFPRLPJ-HOCLYGCPSA-N 2 1 305.422 0.859 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000195123075 261151007 /nfs/dbraw/zinc/15/10/07/261151007.db2.gz HGKPBTAXMOUWKC-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000195123075 261151009 /nfs/dbraw/zinc/15/10/09/261151009.db2.gz HGKPBTAXMOUWKC-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000195123075 261151011 /nfs/dbraw/zinc/15/10/11/261151011.db2.gz HGKPBTAXMOUWKC-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP C[C@@H]([NH3+])CCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000193295317 278305926 /nfs/dbraw/zinc/30/59/26/278305926.db2.gz RRGDXHSAOWILTE-CQSZACIVSA-N 2 1 310.442 0.271 10 0 DCAEMP C[C@@H]([NH3+])CCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000193295317 278305928 /nfs/dbraw/zinc/30/59/28/278305928.db2.gz RRGDXHSAOWILTE-CQSZACIVSA-N 2 1 310.442 0.271 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556359282 288375342 /nfs/dbraw/zinc/37/53/42/288375342.db2.gz AIKLDGJQPZYKRM-ZIAGYGMSSA-N 2 1 310.442 0.140 10 0 DCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333676092 289046077 /nfs/dbraw/zinc/04/60/77/289046077.db2.gz OAAKYIVMKUTGSO-RBSFLKMASA-N 2 1 310.442 0.633 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929556565 664671928 /nfs/dbraw/zinc/67/19/28/664671928.db2.gz XYDYLXQLANHOEX-HIFRSBDPSA-N 2 1 318.483 0.588 10 0 DCAEMP C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000702348557 666939998 /nfs/dbraw/zinc/93/99/98/666939998.db2.gz CQJARZINQBJPJH-HOCLYGCPSA-N 2 1 304.438 0.608 10 0 DCAEMP C[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000702348557 666940000 /nfs/dbraw/zinc/94/00/00/666940000.db2.gz CQJARZINQBJPJH-HOCLYGCPSA-N 2 1 304.438 0.608 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091137003 193002420 /nfs/dbraw/zinc/00/24/20/193002420.db2.gz VQRIUFHRAOLQAW-CYBMUJFWSA-N 2 1 301.456 0.262 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111866564 285033555 /nfs/dbraw/zinc/03/35/55/285033555.db2.gz KISLDVHULFQJED-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246935146 395960952 /nfs/dbraw/zinc/96/09/52/395960952.db2.gz BYQGSELYXPHLEQ-KBPBESRZSA-N 2 1 300.447 0.689 10 0 DCAEMP Cc1nc(CC[NH3+])cc(N2CCC([N@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000067726931 396031811 /nfs/dbraw/zinc/03/18/11/396031811.db2.gz BLNCEMLBDPDTQH-MRXNPFEDSA-N 2 1 319.453 0.712 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000262332035 396125239 /nfs/dbraw/zinc/12/52/39/396125239.db2.gz SISAPVXNHMOXRE-BPUTZDHNSA-N 2 1 321.396 0.487 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000262332035 396125241 /nfs/dbraw/zinc/12/52/41/396125241.db2.gz SISAPVXNHMOXRE-BPUTZDHNSA-N 2 1 321.396 0.487 10 0 DCAEMP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cc2)no1 ZINC000263234215 396207566 /nfs/dbraw/zinc/20/75/66/396207566.db2.gz NTLAWLXMNYFRLR-HIFRSBDPSA-N 2 1 318.377 0.627 10 0 DCAEMP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309737199 396759571 /nfs/dbraw/zinc/75/95/71/396759571.db2.gz URVPEMVFXSJYTA-QGZVFWFLSA-N 2 1 316.449 0.625 10 0 DCAEMP c1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC000634812240 396921461 /nfs/dbraw/zinc/92/14/61/396921461.db2.gz CTNQSMZMRFQPEV-KBPBESRZSA-N 2 1 303.410 0.892 10 0 DCAEMP COCC(C)(C)[NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000076496264 158065537 /nfs/dbraw/zinc/06/55/37/158065537.db2.gz DVWQDFIXSJITFU-AWEZNQCLSA-N 2 1 315.458 0.474 10 0 DCAEMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119452045 158187403 /nfs/dbraw/zinc/18/74/03/158187403.db2.gz GHCIERDEEQAPGJ-MRXNPFEDSA-N 2 1 308.470 0.711 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000248602776 287098778 /nfs/dbraw/zinc/09/87/78/287098778.db2.gz JIBIIJBGPALWNF-ZNMIVQPWSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000248602776 287098781 /nfs/dbraw/zinc/09/87/81/287098781.db2.gz JIBIIJBGPALWNF-ZNMIVQPWSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)C1 ZINC000248602776 287098783 /nfs/dbraw/zinc/09/87/83/287098783.db2.gz JIBIIJBGPALWNF-ZNMIVQPWSA-N 2 1 312.458 0.567 10 0 DCAEMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000249206380 287108098 /nfs/dbraw/zinc/10/80/98/287108098.db2.gz VZIZIIXLSLYVAA-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000249206380 287108100 /nfs/dbraw/zinc/10/81/00/287108100.db2.gz VZIZIIXLSLYVAA-LSDHHAIUSA-N 2 1 312.458 0.737 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106529887 415643804 /nfs/dbraw/zinc/64/38/04/415643804.db2.gz NVJNQPGRFGGRQM-HUUCEWRRSA-N 2 1 313.490 0.652 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000106541523 415644099 /nfs/dbraw/zinc/64/40/99/415644099.db2.gz QJAUTGJDSOGNFX-GJZGRUSLSA-N 2 1 311.474 0.406 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333806171 415743958 /nfs/dbraw/zinc/74/39/58/415743958.db2.gz IOACKYUIODGTPC-OAGGEKHMSA-N 2 1 324.469 0.881 10 0 DCAEMP CCNS(=O)(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179041446 416181009 /nfs/dbraw/zinc/18/10/09/416181009.db2.gz SXPNEIDSHLONGB-PBWFPOADSA-N 2 1 316.471 0.084 10 0 DCAEMP CCOC(=O)[C@H]1CCCCN1C(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193604392 416319419 /nfs/dbraw/zinc/31/94/19/416319419.db2.gz MXEWAOBHTOUIGP-QLFBSQMISA-N 2 1 323.437 0.424 10 0 DCAEMP CC[N@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@H](C)C1 ZINC000190687039 416281939 /nfs/dbraw/zinc/28/19/39/416281939.db2.gz LGQLCBQHXHJPQL-OCCSQVGLSA-N 2 1 303.472 0.588 10 0 DCAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000261911074 416335783 /nfs/dbraw/zinc/33/57/83/416335783.db2.gz IZFZTBNYNVBPHV-ARFHVFGLSA-N 2 1 311.470 0.844 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000261816201 416335826 /nfs/dbraw/zinc/33/58/26/416335826.db2.gz AFIGBZMUESRWFA-XJKCOSOUSA-N 2 1 313.442 0.213 10 0 DCAEMP C[NH+](C)C1(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000261919482 416335921 /nfs/dbraw/zinc/33/59/21/416335921.db2.gz KBKXSRIZXMWLFF-OAGGEKHMSA-N 2 1 311.470 0.844 10 0 DCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000194690695 416324314 /nfs/dbraw/zinc/32/43/14/416324314.db2.gz PDKZIOGLKHPIGE-ZIAGYGMSSA-N 2 1 309.454 0.774 10 0 DCAEMP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000237907462 416329381 /nfs/dbraw/zinc/32/93/81/416329381.db2.gz QMPPNNUDDXKVTF-CQSZACIVSA-N 2 1 318.425 0.513 10 0 DCAEMP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000237907462 416329382 /nfs/dbraw/zinc/32/93/82/416329382.db2.gz QMPPNNUDDXKVTF-CQSZACIVSA-N 2 1 318.425 0.513 10 0 DCAEMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438714663 416601488 /nfs/dbraw/zinc/60/14/88/416601488.db2.gz VJZSQMAHQZNRAP-ZDUSSCGKSA-N 2 1 308.430 0.908 10 0 DCAEMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333928412 289037765 /nfs/dbraw/zinc/03/77/65/289037765.db2.gz XGRQLZOBKVCMKS-IBEHDNSVSA-N 2 1 324.469 0.471 10 0 DCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000333783344 289046279 /nfs/dbraw/zinc/04/62/79/289046279.db2.gz DZPOSKIIBARAGA-LJISPDSOSA-N 2 1 310.442 0.489 10 0 DCAEMP C[C@H]1CN(Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@@H]1[NH3+] ZINC000725273039 548749889 /nfs/dbraw/zinc/74/98/89/548749889.db2.gz XPLCDERITYDLIV-JQWIXIFHSA-N 2 1 311.455 0.812 10 0 DCAEMP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000405097284 774150059 /nfs/dbraw/zinc/15/00/59/774150059.db2.gz TWDCWYRSRNMRFD-JSGCOSHPSA-N 2 1 309.435 0.541 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCOCC1 ZINC000237447157 395912574 /nfs/dbraw/zinc/91/25/74/395912574.db2.gz WOYNQYBXPYUFAT-UGUYLWEFSA-N 2 1 309.454 0.992 10 0 DCAEMP C[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1CCOCC1 ZINC000136811453 395948564 /nfs/dbraw/zinc/94/85/64/395948564.db2.gz UTFWBQKLLXNPSI-BZUAXINKSA-N 2 1 324.469 0.833 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000247189426 395968943 /nfs/dbraw/zinc/96/89/43/395968943.db2.gz LFRMMPDOIJAPDC-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC[C@H](C)O)C1 ZINC000247464167 395973989 /nfs/dbraw/zinc/97/39/89/395973989.db2.gz IQRSGDLLVDSTNV-GJZGRUSLSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC[C@H](C)O)C1 ZINC000247464167 395973991 /nfs/dbraw/zinc/97/39/91/395973991.db2.gz IQRSGDLLVDSTNV-GJZGRUSLSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC[C@H](C)O)C1 ZINC000247464167 395973995 /nfs/dbraw/zinc/97/39/95/395973995.db2.gz IQRSGDLLVDSTNV-GJZGRUSLSA-N 2 1 315.458 0.162 10 0 DCAEMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)N3CCNC3=O)C2)c1 ZINC000065459409 395994571 /nfs/dbraw/zinc/99/45/71/395994571.db2.gz FMNLUTXMQOBPMK-ZDUSSCGKSA-N 2 1 317.393 0.676 10 0 DCAEMP NC(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1COc1ccncc1 ZINC000257189331 396035490 /nfs/dbraw/zinc/03/54/90/396035490.db2.gz NQGDCRIDXLNYBW-SWLSCSKDSA-N 2 1 305.378 0.673 10 0 DCAEMP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000171202304 396111295 /nfs/dbraw/zinc/11/12/95/396111295.db2.gz USGPNSDUEKQSHT-HNNXBMFYSA-N 2 1 312.458 0.881 10 0 DCAEMP C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000175620685 396140241 /nfs/dbraw/zinc/14/02/41/396140241.db2.gz UCUJITTVKMQCLC-ZFWWWQNUSA-N 2 1 310.442 0.443 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935473 396311533 /nfs/dbraw/zinc/31/15/33/396311533.db2.gz NDCZPXPKVBVHIA-GJZGRUSLSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000184935473 396311536 /nfs/dbraw/zinc/31/15/36/396311536.db2.gz NDCZPXPKVBVHIA-GJZGRUSLSA-N 2 1 312.458 0.569 10 0 DCAEMP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527751836 396547809 /nfs/dbraw/zinc/54/78/09/396547809.db2.gz CUKDPRLFLCUGPZ-XYJFISCASA-N 2 1 323.481 0.819 10 0 DCAEMP c1cnc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nn1 ZINC000629545964 396782850 /nfs/dbraw/zinc/78/28/50/396782850.db2.gz BBPSYECYRQDCGG-UHFFFAOYSA-N 2 1 310.405 0.840 10 0 DCAEMP CCCNC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119638632 158189424 /nfs/dbraw/zinc/18/94/24/158189424.db2.gz JKBOSANOTCADNU-XYPWUTKMSA-N 2 1 308.470 0.755 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000123160611 158226990 /nfs/dbraw/zinc/22/69/90/158226990.db2.gz GBTHDJBTOIUHOR-CABCVRRESA-N 2 1 314.474 0.983 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000123160611 158226993 /nfs/dbraw/zinc/22/69/93/158226993.db2.gz GBTHDJBTOIUHOR-CABCVRRESA-N 2 1 314.474 0.983 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000123160611 158226995 /nfs/dbraw/zinc/22/69/95/158226995.db2.gz GBTHDJBTOIUHOR-CABCVRRESA-N 2 1 314.474 0.983 10 0 DCAEMP CC[C@@](C)(O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000123543974 158231432 /nfs/dbraw/zinc/23/14/32/158231432.db2.gz HEWYDQGANNGFBK-DLBZAZTESA-N 2 1 313.486 0.874 10 0 DCAEMP O=C(NCCCC[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901093 158387585 /nfs/dbraw/zinc/38/75/85/158387585.db2.gz ZIDMGUNGKOFHRZ-OAHLLOKOSA-N 2 1 310.442 0.588 10 0 DCAEMP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171900349 158387653 /nfs/dbraw/zinc/38/76/53/158387653.db2.gz KMPOTCJRDRUMBB-MRXNPFEDSA-N 2 1 323.485 0.502 10 0 DCAEMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171900349 158387655 /nfs/dbraw/zinc/38/76/55/158387655.db2.gz KMPOTCJRDRUMBB-MRXNPFEDSA-N 2 1 323.485 0.502 10 0 DCAEMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171900349 158387656 /nfs/dbraw/zinc/38/76/56/158387656.db2.gz KMPOTCJRDRUMBB-MRXNPFEDSA-N 2 1 323.485 0.502 10 0 DCAEMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000111867582 415701283 /nfs/dbraw/zinc/70/12/83/415701283.db2.gz DWIWMTSZPGZZDT-HNNXBMFYSA-N 2 1 310.442 0.587 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000111867582 415701292 /nfs/dbraw/zinc/70/12/92/415701292.db2.gz DWIWMTSZPGZZDT-HNNXBMFYSA-N 2 1 310.442 0.587 10 0 DCAEMP C[NH+](C)C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCO1 ZINC000172308083 416045698 /nfs/dbraw/zinc/04/56/98/416045698.db2.gz FOQGMXKCOQUDBP-OAHLLOKOSA-N 2 1 313.442 0.278 10 0 DCAEMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000173273224 416055061 /nfs/dbraw/zinc/05/50/61/416055061.db2.gz MFDTTZFEFXKYSJ-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000173273224 416055063 /nfs/dbraw/zinc/05/50/63/416055063.db2.gz MFDTTZFEFXKYSJ-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173274151 416055592 /nfs/dbraw/zinc/05/55/92/416055592.db2.gz OFFYFTQYDRVJQA-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173274151 416055595 /nfs/dbraw/zinc/05/55/95/416055595.db2.gz OFFYFTQYDRVJQA-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]([NH3+])CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000178626621 416167737 /nfs/dbraw/zinc/16/77/37/416167737.db2.gz HTZXWCPTVBDOPC-OAHLLOKOSA-N 2 1 304.438 0.658 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000179548882 416190469 /nfs/dbraw/zinc/19/04/69/416190469.db2.gz DVLOGPNRACHUFH-MRXNPFEDSA-N 2 1 316.453 0.508 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000179548882 416190470 /nfs/dbraw/zinc/19/04/70/416190470.db2.gz DVLOGPNRACHUFH-MRXNPFEDSA-N 2 1 316.453 0.508 10 0 DCAEMP C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181393962 416205980 /nfs/dbraw/zinc/20/59/80/416205980.db2.gz VJCBRSFNQHUDPU-XJKSGUPXSA-N 2 1 319.453 0.919 10 0 DCAEMP Cn1cc([C@H]2C[NH2+]CCN2C(=O)C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000181400519 416206266 /nfs/dbraw/zinc/20/62/66/416206266.db2.gz IZIAFWILOLWVQL-HZPDHXFCSA-N 2 1 313.405 0.983 10 0 DCAEMP C[C@H]1C[N@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000249276132 416334108 /nfs/dbraw/zinc/33/41/08/416334108.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[N@@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000249276132 416334109 /nfs/dbraw/zinc/33/41/09/416334109.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[NH+](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000249276132 416334110 /nfs/dbraw/zinc/33/41/10/416334110.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[NH+](CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000249276132 416334111 /nfs/dbraw/zinc/33/41/11/416334111.db2.gz LASBGODDFJEBNA-ZWKOTPCHSA-N 2 1 324.513 0.809 10 0 DCAEMP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515629 416326447 /nfs/dbraw/zinc/32/64/47/416326447.db2.gz HQMCPJWVMWRYQT-GFCCVEGCSA-N 2 1 305.382 0.661 10 0 DCAEMP CCNC(=O)NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000195515629 416326448 /nfs/dbraw/zinc/32/64/48/416326448.db2.gz HQMCPJWVMWRYQT-GFCCVEGCSA-N 2 1 305.382 0.661 10 0 DCAEMP c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc(N2CCOCC2)[nH+]1 ZINC000373672823 416959419 /nfs/dbraw/zinc/95/94/19/416959419.db2.gz JGXGZBRQHALUNE-UONOGXRCSA-N 2 1 319.409 0.588 10 0 DCAEMP c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc(N2CCOCC2)[nH+]1 ZINC000373672823 416959429 /nfs/dbraw/zinc/95/94/29/416959429.db2.gz JGXGZBRQHALUNE-UONOGXRCSA-N 2 1 319.409 0.588 10 0 DCAEMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COC[C@H]1CCCO1 ZINC000532212707 417666467 /nfs/dbraw/zinc/66/64/67/417666467.db2.gz CJDBKIZHGZGQJY-JKSUJKDBSA-N 2 1 300.443 0.961 10 0 DCAEMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COC[C@H]1CCCO1 ZINC000532212707 417666469 /nfs/dbraw/zinc/66/64/69/417666469.db2.gz CJDBKIZHGZGQJY-JKSUJKDBSA-N 2 1 300.443 0.961 10 0 DCAEMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649281598 418219886 /nfs/dbraw/zinc/21/98/86/418219886.db2.gz VQFQRQCHEKHSNV-MRXNPFEDSA-N 2 1 305.422 0.861 10 0 DCAEMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261841438 277166492 /nfs/dbraw/zinc/16/64/92/277166492.db2.gz ITKPVYVPGGETLR-ZIAGYGMSSA-N 2 1 324.469 0.481 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000117492353 277223553 /nfs/dbraw/zinc/22/35/53/277223553.db2.gz YQAXWEHCESPQQV-KGLIPLIRSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC000117492353 277223555 /nfs/dbraw/zinc/22/35/55/277223555.db2.gz YQAXWEHCESPQQV-KGLIPLIRSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@@H]1C ZINC000117492353 277223556 /nfs/dbraw/zinc/22/35/56/277223556.db2.gz YQAXWEHCESPQQV-KGLIPLIRSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@@H]1C ZINC000117492353 277223558 /nfs/dbraw/zinc/22/35/58/277223558.db2.gz YQAXWEHCESPQQV-KGLIPLIRSA-N 2 1 312.458 0.831 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696260 288304705 /nfs/dbraw/zinc/30/47/05/288304705.db2.gz JQDZIWGWTQMNPR-TZMCWYRMSA-N 2 1 318.425 0.511 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000555656235 288359413 /nfs/dbraw/zinc/35/94/13/288359413.db2.gz QLQBNRUZDBJIPS-ZDUSSCGKSA-N 2 1 324.425 0.409 10 0 DCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003848 521712201 /nfs/dbraw/zinc/71/22/01/521712201.db2.gz RSZJBRKFJFQFGB-SMDDNHRTSA-N 2 1 305.426 0.858 10 0 DCAEMP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000364253427 523740200 /nfs/dbraw/zinc/74/02/00/523740200.db2.gz FYERXFYYWGLNPV-UONOGXRCSA-N 2 1 315.377 0.569 10 0 DCAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3nc4ccccn4c3=O)C[C@H]21 ZINC000262353703 657747209 /nfs/dbraw/zinc/74/72/09/657747209.db2.gz VPKPGFUQOPZBAZ-MGPQQGTHSA-N 2 1 301.394 0.555 10 0 DCAEMP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729620837 662905954 /nfs/dbraw/zinc/90/59/54/662905954.db2.gz VSYUBKDSFVXONQ-HUUCEWRRSA-N 2 1 319.409 0.078 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000705320613 667303709 /nfs/dbraw/zinc/30/37/09/667303709.db2.gz VFHBTRZUPREZOC-INIZCTEOSA-N 2 1 318.465 0.998 10 0 DCAEMP O=C(C[NH+]1CCC2(CC1)OCCO2)NC1CC[NH+](C2CC2)CC1 ZINC000045750158 669921780 /nfs/dbraw/zinc/92/17/80/669921780.db2.gz NZPZOXHKQKEOPM-UHFFFAOYSA-N 2 1 323.437 0.568 10 0 DCAEMP COC(=O)Cn1cc(CCN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000154293877 291212510 /nfs/dbraw/zinc/21/25/10/291212510.db2.gz LJFQJXHZVQLCHO-GXTWGEPZSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)nn1 ZINC000154293877 291212513 /nfs/dbraw/zinc/21/25/13/291212513.db2.gz LJFQJXHZVQLCHO-GXTWGEPZSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)nn1 ZINC000154293877 291212515 /nfs/dbraw/zinc/21/25/15/291212515.db2.gz LJFQJXHZVQLCHO-GXTWGEPZSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000154293877 291212518 /nfs/dbraw/zinc/21/25/18/291212518.db2.gz LJFQJXHZVQLCHO-GXTWGEPZSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000154293877 291212520 /nfs/dbraw/zinc/21/25/20/291212520.db2.gz LJFQJXHZVQLCHO-GXTWGEPZSA-N 2 1 309.414 0.408 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091137005 193003449 /nfs/dbraw/zinc/00/34/49/193003449.db2.gz VQRIUFHRAOLQAW-ZDUSSCGKSA-N 2 1 301.456 0.262 10 0 DCAEMP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875592 194153437 /nfs/dbraw/zinc/15/34/37/194153437.db2.gz HBZDVTPTDOEYSR-LBPRGKRZSA-N 2 1 321.425 0.909 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCC[NH+](C)C)C1 ZINC000106427530 194211666 /nfs/dbraw/zinc/21/16/66/194211666.db2.gz LFLWDOBVCBYLSZ-AWEZNQCLSA-N 2 1 317.499 0.754 10 0 DCAEMP C[NH+]1CCC(CNC(=O)[C@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000237159328 395905281 /nfs/dbraw/zinc/90/52/81/395905281.db2.gz WIDLISQXDHPCQQ-OAHLLOKOSA-N 2 1 308.470 0.805 10 0 DCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000245396371 395927204 /nfs/dbraw/zinc/92/72/04/395927204.db2.gz KZVCXDSNDSMUNJ-HUUCEWRRSA-N 2 1 314.474 0.863 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000246279193 395946456 /nfs/dbraw/zinc/94/64/56/395946456.db2.gz MKTZSDXIMWRGJG-KGLIPLIRSA-N 2 1 317.433 0.396 10 0 DCAEMP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247598624 395976466 /nfs/dbraw/zinc/97/64/66/395976466.db2.gz TUOFKBRPNRTIEK-HOTGVXAUSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247598624 395976468 /nfs/dbraw/zinc/97/64/68/395976468.db2.gz TUOFKBRPNRTIEK-HOTGVXAUSA-N 2 1 324.469 0.833 10 0 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396121600 /nfs/dbraw/zinc/12/16/00/396121600.db2.gz CSGLETYRSARVAC-NYTXWWLZSA-N 2 1 309.454 0.942 10 0 DCAEMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263149350 396203451 /nfs/dbraw/zinc/20/34/51/396203451.db2.gz CYSAKTLOKVLMKH-IUODEOHRSA-N 2 1 302.378 0.755 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000584686159 396615010 /nfs/dbraw/zinc/61/50/10/396615010.db2.gz IKVVWMLOIFDUCY-NFAWXSAZSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1C1CC1 ZINC000584686159 396615013 /nfs/dbraw/zinc/61/50/13/396615013.db2.gz IKVVWMLOIFDUCY-NFAWXSAZSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[NH+]1C1CC1 ZINC000584686159 396615015 /nfs/dbraw/zinc/61/50/15/396615015.db2.gz IKVVWMLOIFDUCY-NFAWXSAZSA-N 2 1 320.437 0.034 10 0 DCAEMP C[N@@H+](CCC[NH2+]C[C@H](O)CN1CCOCC1)Cc1ccccc1 ZINC000302885020 396723066 /nfs/dbraw/zinc/72/30/66/396723066.db2.gz MJWABRXCHQACOK-SFHVURJKSA-N 2 1 321.465 0.791 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NCC2(N3CCOCC3)CC2)CC1 ZINC000577810887 397362296 /nfs/dbraw/zinc/36/22/96/397362296.db2.gz BXYWKAVDUBLMNW-UHFFFAOYSA-N 2 1 322.453 0.802 10 0 DCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000171899893 158387678 /nfs/dbraw/zinc/38/76/78/158387678.db2.gz UERSJSXEJMAMJS-BZUAXINKSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000105193221 415633142 /nfs/dbraw/zinc/63/31/42/415633142.db2.gz KRTKDDPHFQNVKR-MRXNPFEDSA-N 2 1 324.469 0.977 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175766738 416111607 /nfs/dbraw/zinc/11/16/07/416111607.db2.gz MOZKOXGLJKSDHP-CQSZACIVSA-N 2 1 300.447 0.690 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175954062 416116222 /nfs/dbraw/zinc/11/62/22/416116222.db2.gz WXKSPOBDAJHBPP-HOTGVXAUSA-N 2 1 324.469 0.834 10 0 DCAEMP CC[NH+](CC)CCN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000181335880 416206346 /nfs/dbraw/zinc/20/63/46/416206346.db2.gz SJKJPSHOEZDVDQ-UHFFFAOYSA-N 2 1 310.486 0.958 10 0 DCAEMP CC1=CC[NH+](CCNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000358681973 416268001 /nfs/dbraw/zinc/26/80/01/416268001.db2.gz QNLKGZHHWWSFOD-HZPDHXFCSA-N 2 1 324.469 0.735 10 0 DCAEMP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000358681973 416268003 /nfs/dbraw/zinc/26/80/03/416268003.db2.gz QNLKGZHHWWSFOD-HZPDHXFCSA-N 2 1 324.469 0.735 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000358681973 416268006 /nfs/dbraw/zinc/26/80/06/416268006.db2.gz QNLKGZHHWWSFOD-HZPDHXFCSA-N 2 1 324.469 0.735 10 0 DCAEMP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[NH+]1CCSCC1 ZINC000442905161 416718854 /nfs/dbraw/zinc/71/88/54/416718854.db2.gz VHQMMYSNHJGFJE-AWEZNQCLSA-N 2 1 314.499 0.130 10 0 DCAEMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccnc(N)c3)C2)CC1 ZINC000373247655 416951316 /nfs/dbraw/zinc/95/13/16/416951316.db2.gz RWVFYNNVIVKKKT-MRXNPFEDSA-N 2 1 303.454 1.123 10 0 DCAEMP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653110256 418028547 /nfs/dbraw/zinc/02/85/47/418028547.db2.gz AFEVBUDTYAYLPL-NXEZZACHSA-N 2 1 311.373 0.549 10 0 DCAEMP CSC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000188146670 261126074 /nfs/dbraw/zinc/12/60/74/261126074.db2.gz TVZKADFZKZYNML-QXULXFAOSA-N 2 1 313.511 0.953 10 0 DCAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000547272805 288035319 /nfs/dbraw/zinc/03/53/19/288035319.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 1 309.458 0.183 10 0 DCAEMP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000547272805 288035320 /nfs/dbraw/zinc/03/53/20/288035320.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 1 309.458 0.183 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000547272805 288035322 /nfs/dbraw/zinc/03/53/22/288035322.db2.gz QIKTWELERMOFJN-OAHLLOKOSA-N 2 1 309.458 0.183 10 0 DCAEMP CCN(C)C(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000130379087 279015092 /nfs/dbraw/zinc/01/50/92/279015092.db2.gz AJSMUNKYXBJRIY-MRXNPFEDSA-N 2 1 310.486 0.957 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000105903610 527427554 /nfs/dbraw/zinc/42/75/54/527427554.db2.gz WDDCMACATUXSOL-INIZCTEOSA-N 2 1 322.453 0.368 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261668188 545977074 /nfs/dbraw/zinc/97/70/74/545977074.db2.gz FSAFDUAEPPAOGB-UKRRQHHQSA-N 2 1 324.469 0.468 10 0 DCAEMP C[NH+](C)[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC000262142498 545979501 /nfs/dbraw/zinc/97/95/01/545979501.db2.gz HHQAOWOJDVRCJX-XBFCOCLRSA-N 2 1 311.813 0.639 10 0 DCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000262570222 662489968 /nfs/dbraw/zinc/48/99/68/662489968.db2.gz XKAMDYHNZWKCSC-UMPJEAMMSA-N 2 1 307.438 0.826 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720793982 685314733 /nfs/dbraw/zinc/31/47/33/685314733.db2.gz LPVPXDCOIPVTIU-VHSXEESVSA-N 2 1 317.377 0.337 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720793982 685314737 /nfs/dbraw/zinc/31/47/37/685314737.db2.gz LPVPXDCOIPVTIU-VHSXEESVSA-N 2 1 317.377 0.337 10 0 DCAEMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000250612342 685184820 /nfs/dbraw/zinc/18/48/20/685184820.db2.gz MYXWZXVOMYAXOR-HZSPNIEDSA-N 2 1 301.456 0.484 10 0 DCAEMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000244336895 1182759355 /nfs/dbraw/zinc/75/93/55/1182759355.db2.gz XRFTYVUVJDTGCX-UHFFFAOYSA-N 2 1 321.421 0.958 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113604655 285011074 /nfs/dbraw/zinc/01/10/74/285011074.db2.gz MIWPVTGDVOXECP-GOEBONIOSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247368642 285022057 /nfs/dbraw/zinc/02/20/57/285022057.db2.gz DRDJLPRLCMLLDD-HZPDHXFCSA-N 2 1 324.469 0.977 10 0 DCAEMP C[C@@]1(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000262063212 220464450 /nfs/dbraw/zinc/46/44/50/220464450.db2.gz RJDWNFDPVHHGQS-OAHLLOKOSA-N 2 1 315.483 0.876 10 0 DCAEMP C[NH+](C)CCO[C@H]1C[C@@H]2CN(c3ncc(F)cn3)CC[N@H+]2C1 ZINC000247941492 257114443 /nfs/dbraw/zinc/11/44/43/257114443.db2.gz ADWURQGPFUTFJP-KGLIPLIRSA-N 2 1 309.389 0.457 10 0 DCAEMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]2C1 ZINC000193601574 395773564 /nfs/dbraw/zinc/77/35/64/395773564.db2.gz BOZIMYMEHKLJND-PHIMTYICSA-N 2 1 322.434 0.669 10 0 DCAEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]2C1 ZINC000193601574 395773568 /nfs/dbraw/zinc/77/35/68/395773568.db2.gz BOZIMYMEHKLJND-PHIMTYICSA-N 2 1 322.434 0.669 10 0 DCAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]2C1 ZINC000193601574 395773571 /nfs/dbraw/zinc/77/35/71/395773571.db2.gz BOZIMYMEHKLJND-PHIMTYICSA-N 2 1 322.434 0.669 10 0 DCAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C(N)=O)C[C@@H]2C1 ZINC000193601574 395773574 /nfs/dbraw/zinc/77/35/74/395773574.db2.gz BOZIMYMEHKLJND-PHIMTYICSA-N 2 1 322.434 0.669 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000111866568 395814782 /nfs/dbraw/zinc/81/47/82/395814782.db2.gz KISLDVHULFQJED-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000238056515 395920329 /nfs/dbraw/zinc/92/03/29/395920329.db2.gz OPJIRIMVSBRWRB-MRXNPFEDSA-N 2 1 303.406 0.887 10 0 DCAEMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261661117 396053168 /nfs/dbraw/zinc/05/31/68/396053168.db2.gz GHCVMERYAWRFJA-CQSZACIVSA-N 2 1 318.421 0.720 10 0 DCAEMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261661117 396053170 /nfs/dbraw/zinc/05/31/70/396053170.db2.gz GHCVMERYAWRFJA-CQSZACIVSA-N 2 1 318.421 0.720 10 0 DCAEMP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984066 396087679 /nfs/dbraw/zinc/08/76/79/396087679.db2.gz JMMIQLFHQPPHFL-IUODEOHRSA-N 2 1 307.398 0.701 10 0 DCAEMP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984066 396087684 /nfs/dbraw/zinc/08/76/84/396087684.db2.gz JMMIQLFHQPPHFL-IUODEOHRSA-N 2 1 307.398 0.701 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262144214 396103373 /nfs/dbraw/zinc/10/33/73/396103373.db2.gz HHWRKGKPFCUWTA-CQSZACIVSA-N 2 1 305.426 0.562 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262240180 396114692 /nfs/dbraw/zinc/11/46/92/396114692.db2.gz KUYCNBSRBWXTEG-ULQDDVLXSA-N 2 1 317.433 0.738 10 0 DCAEMP C[C@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262309256 396121316 /nfs/dbraw/zinc/12/13/16/396121316.db2.gz CSGLETYRSARVAC-FQLMCAECSA-N 2 1 309.454 0.942 10 0 DCAEMP C[C@H](C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262309256 396121319 /nfs/dbraw/zinc/12/13/19/396121319.db2.gz CSGLETYRSARVAC-FQLMCAECSA-N 2 1 309.454 0.942 10 0 DCAEMP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1=O ZINC000261901951 396078034 /nfs/dbraw/zinc/07/80/34/396078034.db2.gz HUUQEHPNXLBPKA-RDGWLKQMSA-N 2 1 307.438 0.742 10 0 DCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572387 396156878 /nfs/dbraw/zinc/15/68/78/396156878.db2.gz XPTMFVOLYKRTID-VWPFQQQWSA-N 2 1 309.454 0.977 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000263300667 396212511 /nfs/dbraw/zinc/21/25/11/396212511.db2.gz WZQSMMOKMIRCFQ-DZGCQCFKSA-N 2 1 300.362 0.939 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710662 396241349 /nfs/dbraw/zinc/24/13/49/396241349.db2.gz ZXEPYHARXCOHFE-DZGCQCFKSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000181710662 396241353 /nfs/dbraw/zinc/24/13/53/396241353.db2.gz ZXEPYHARXCOHFE-DZGCQCFKSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000193444276 396451294 /nfs/dbraw/zinc/45/12/94/396451294.db2.gz GQTYBOCYPFTVLW-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000561013873 396628414 /nfs/dbraw/zinc/62/84/14/396628414.db2.gz SHLZECMCNFXBKI-CYBMUJFWSA-N 2 1 300.447 0.243 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1CC ZINC000246299154 286087223 /nfs/dbraw/zinc/08/72/23/286087223.db2.gz NVWPSSUTTCXYMZ-UKRRQHHQSA-N 2 1 301.406 0.647 10 0 DCAEMP CCOCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1CC ZINC000246299154 286087226 /nfs/dbraw/zinc/08/72/26/286087226.db2.gz NVWPSSUTTCXYMZ-UKRRQHHQSA-N 2 1 301.406 0.647 10 0 DCAEMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000123825058 158234577 /nfs/dbraw/zinc/23/45/77/158234577.db2.gz JVPATYZIVXZRSO-AWEZNQCLSA-N 2 1 306.410 0.533 10 0 DCAEMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000123825058 158234580 /nfs/dbraw/zinc/23/45/80/158234580.db2.gz JVPATYZIVXZRSO-AWEZNQCLSA-N 2 1 306.410 0.533 10 0 DCAEMP 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/nfs/dbraw/zinc/04/55/20/289045520.db2.gz OQTMNQSKFDVZED-HUUCEWRRSA-N 2 1 324.469 0.881 10 0 DCAEMP C[NH+]1CCC(n2nnc(C[NH3+])c2I)CC1 ZINC000675051418 547658250 /nfs/dbraw/zinc/65/82/50/547658250.db2.gz JZCXGJSAFHTFJQ-UHFFFAOYSA-N 2 1 321.166 0.608 10 0 DCAEMP [NH3+]C[C@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000178526936 661104438 /nfs/dbraw/zinc/10/44/38/661104438.db2.gz NMESREULGAHXTB-QGZVFWFLSA-N 2 1 316.449 0.611 10 0 DCAEMP C[NH2+][C@@H](C)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000261702612 661459384 /nfs/dbraw/zinc/45/93/84/661459384.db2.gz JIMSLAZVYKHMKD-HNNXBMFYSA-N 2 1 304.438 0.528 10 0 DCAEMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)nn1C ZINC000706653743 667419081 /nfs/dbraw/zinc/41/90/81/667419081.db2.gz RKPBMVLGZHMALT-UHFFFAOYSA-N 2 1 305.220 0.850 10 0 DCAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)nn1C ZINC000706653743 667419082 /nfs/dbraw/zinc/41/90/82/667419082.db2.gz RKPBMVLGZHMALT-UHFFFAOYSA-N 2 1 305.220 0.850 10 0 DCAEMP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389949062 685258099 /nfs/dbraw/zinc/25/80/99/685258099.db2.gz RQDAAJHXHVBQEC-VNQPRFMTSA-N 2 1 305.422 0.987 10 0 DCAEMP C[N@H+]1CC2(C[C@H]1C(=O)NCCc1csc(N)n1)CC[NH2+]CC2 ZINC000072436391 191166476 /nfs/dbraw/zinc/16/64/76/191166476.db2.gz WRYKNIWXCJKXEV-LBPRGKRZSA-N 2 1 323.466 0.458 10 0 DCAEMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081279273 192243890 /nfs/dbraw/zinc/24/38/90/192243890.db2.gz SGYUOHUFQSHQFH-HOTGVXAUSA-N 2 1 305.422 0.606 10 0 DCAEMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081279273 192243892 /nfs/dbraw/zinc/24/38/92/192243892.db2.gz SGYUOHUFQSHQFH-HOTGVXAUSA-N 2 1 305.422 0.606 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000167260666 285031867 /nfs/dbraw/zinc/03/18/67/285031867.db2.gz RWKGQKGNAFOUIW-INIZCTEOSA-N 2 1 317.433 0.710 10 0 DCAEMP C[NH2+]CCN(C)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000120336579 132142624 /nfs/dbraw/zinc/14/26/24/132142624.db2.gz OJIRRPXUQIZAIQ-UHFFFAOYSA-N 2 1 304.438 0.482 10 0 DCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245467551 395930175 /nfs/dbraw/zinc/93/01/75/395930175.db2.gz SGYUOHUFQSHQFH-HZPDHXFCSA-N 2 1 305.422 0.606 10 0 DCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245467551 395930177 /nfs/dbraw/zinc/93/01/77/395930177.db2.gz SGYUOHUFQSHQFH-HZPDHXFCSA-N 2 1 305.422 0.606 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CN1CC[NH+](C)CC1 ZINC000247028669 395964372 /nfs/dbraw/zinc/96/43/72/395964372.db2.gz PPBSJXKPJXPRIY-CVEARBPZSA-N 2 1 323.485 0.360 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000151452118 395986020 /nfs/dbraw/zinc/98/60/20/395986020.db2.gz BMOUVFKTVBUNKT-CQSZACIVSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248602764 395990509 /nfs/dbraw/zinc/99/05/09/395990509.db2.gz JIBIIJBGPALWNF-ILXRZTDVSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248602764 395990512 /nfs/dbraw/zinc/99/05/12/395990512.db2.gz JIBIIJBGPALWNF-ILXRZTDVSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000248602764 395990515 /nfs/dbraw/zinc/99/05/15/395990515.db2.gz JIBIIJBGPALWNF-ILXRZTDVSA-N 2 1 312.458 0.567 10 0 DCAEMP CCC(CC)(C[NH3+])C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261857430 396073265 /nfs/dbraw/zinc/07/32/65/396073265.db2.gz QVZZNDZXKCYYLP-UHFFFAOYSA-N 2 1 312.458 0.374 10 0 DCAEMP C[N@@H+](C[C@@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250382100 396014616 /nfs/dbraw/zinc/01/46/16/396014616.db2.gz JLCSDIDSWKMMKT-RDGKXADDSA-N 2 1 315.483 0.873 10 0 DCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261839866 396070971 /nfs/dbraw/zinc/07/09/71/396070971.db2.gz ZZXZSIHZQORQQH-MRXNPFEDSA-N 2 1 305.422 0.737 10 0 DCAEMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261839866 396070974 /nfs/dbraw/zinc/07/09/74/396070974.db2.gz ZZXZSIHZQORQQH-MRXNPFEDSA-N 2 1 305.422 0.737 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000262292007 396119150 /nfs/dbraw/zinc/11/91/50/396119150.db2.gz OUHROPWVMSUELU-ARFHVFGLSA-N 2 1 303.406 0.348 10 0 DCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261881048 396074917 /nfs/dbraw/zinc/07/49/17/396074917.db2.gz UPTFUNNBDNHKCX-ZBFHGGJFSA-N 2 1 309.454 0.931 10 0 DCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000263300671 396212958 /nfs/dbraw/zinc/21/29/58/396212958.db2.gz WZQSMMOKMIRCFQ-ZFWWWQNUSA-N 2 1 300.362 0.939 10 0 DCAEMP CN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000262708574 396174859 /nfs/dbraw/zinc/17/48/59/396174859.db2.gz DWMQBEUOMZVRGJ-ZIAGYGMSSA-N 2 1 305.426 0.974 10 0 DCAEMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263286146 396211311 /nfs/dbraw/zinc/21/13/11/396211311.db2.gz VANDCXBASHLYFE-UKRRQHHQSA-N 2 1 301.394 0.554 10 0 DCAEMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188281326 396380799 /nfs/dbraw/zinc/38/07/99/396380799.db2.gz QMQATYSCEHSYTK-CWRNSKLLSA-N 2 1 318.421 0.397 10 0 DCAEMP C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccco1 ZINC000188836792 396386994 /nfs/dbraw/zinc/38/69/94/396386994.db2.gz VUXXPLJWQIVWSH-LBPRGKRZSA-N 2 1 303.366 0.681 10 0 DCAEMP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328638158 396829115 /nfs/dbraw/zinc/82/91/15/396829115.db2.gz OZFLHCPAMQNMCH-HUUCEWRRSA-N 2 1 308.426 0.070 10 0 DCAEMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328638158 396829123 /nfs/dbraw/zinc/82/91/23/396829123.db2.gz OZFLHCPAMQNMCH-HUUCEWRRSA-N 2 1 308.426 0.070 10 0 DCAEMP CNS(=O)(=O)CCC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646103 396829634 /nfs/dbraw/zinc/82/96/34/396829634.db2.gz SJBREJGVTMWFKO-GFCCVEGCSA-N 2 1 300.428 0.317 10 0 DCAEMP CNS(=O)(=O)CCC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328646103 396829638 /nfs/dbraw/zinc/82/96/38/396829638.db2.gz SJBREJGVTMWFKO-GFCCVEGCSA-N 2 1 300.428 0.317 10 0 DCAEMP C[C@H]1C[C@@H](N(C)CC(=O)NC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000123883688 158235296 /nfs/dbraw/zinc/23/52/96/158235296.db2.gz MJTLVKXIWGKYFO-UWVGGRQHSA-N 2 1 324.347 0.789 10 0 DCAEMP C[C@@H]1C[NH2+]CCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000131227141 158300425 /nfs/dbraw/zinc/30/04/25/158300425.db2.gz GHPLXJPJXFEDFS-MRXNPFEDSA-N 2 1 316.449 0.625 10 0 DCAEMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134887677 158332136 /nfs/dbraw/zinc/33/21/36/158332136.db2.gz ZLKDMMXLUWMVEH-JQHSSLGASA-N 2 1 323.481 0.628 10 0 DCAEMP O[C@H](CN1CCOCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887677 158332139 /nfs/dbraw/zinc/33/21/39/158332139.db2.gz ZLKDMMXLUWMVEH-JQHSSLGASA-N 2 1 323.481 0.628 10 0 DCAEMP O[C@H](CN1CCOCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134887677 158332140 /nfs/dbraw/zinc/33/21/40/158332140.db2.gz ZLKDMMXLUWMVEH-JQHSSLGASA-N 2 1 323.481 0.628 10 0 DCAEMP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000333390777 415634988 /nfs/dbraw/zinc/63/49/88/415634988.db2.gz OTLDGIZASKFXLS-GJZGRUSLSA-N 2 1 311.474 0.311 10 0 DCAEMP COCC1(CNC(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]CC1 ZINC000333734415 415725240 /nfs/dbraw/zinc/72/52/40/415725240.db2.gz WRHSBCXWSVQANV-UHFFFAOYSA-N 2 1 310.442 0.492 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000111857337 415698696 /nfs/dbraw/zinc/69/86/96/415698696.db2.gz NDNBZMNQVIPJRS-OAHLLOKOSA-N 2 1 312.458 0.738 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000333798047 415740974 /nfs/dbraw/zinc/74/09/74/415740974.db2.gz HIMUNBZZUYSQKC-QLFBSQMISA-N 2 1 312.458 0.615 10 0 DCAEMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175001250 416094332 /nfs/dbraw/zinc/09/43/32/416094332.db2.gz TVXYNIXOABIMHH-AWEZNQCLSA-N 2 1 323.441 0.992 10 0 DCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000262070621 416336227 /nfs/dbraw/zinc/33/62/27/416336227.db2.gz WUTHUWWVCLJLDZ-OAHLLOKOSA-N 2 1 319.405 0.547 10 0 DCAEMP C[NH+]1CCC(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000362715594 262063582 /nfs/dbraw/zinc/06/35/82/262063582.db2.gz LCRKYCYINYYPGV-OAHLLOKOSA-N 2 1 324.469 0.422 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000546566503 288018772 /nfs/dbraw/zinc/01/87/72/288018772.db2.gz MMNVMTPTLYNUKP-MRXNPFEDSA-N 2 1 323.485 0.574 10 0 DCAEMP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261765080 545976702 /nfs/dbraw/zinc/97/67/02/545976702.db2.gz NWKZJLGYHLJHOJ-HZPDHXFCSA-N 2 1 310.486 0.751 10 0 DCAEMP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1 ZINC000262142495 545979377 /nfs/dbraw/zinc/97/93/77/545979377.db2.gz HHQAOWOJDVRCJX-UBHSHLNASA-N 2 1 311.813 0.639 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333795005 546092725 /nfs/dbraw/zinc/09/27/25/546092725.db2.gz GVCWCZHDSZWZDI-JKSUJKDBSA-N 2 1 323.485 0.407 10 0 DCAEMP CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262000895 661952307 /nfs/dbraw/zinc/95/23/07/661952307.db2.gz UBRDWOICSBHXLE-UHFFFAOYSA-N 2 1 302.422 0.234 10 0 DCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1C[NH3+] ZINC000165322091 664410181 /nfs/dbraw/zinc/41/01/81/664410181.db2.gz CMJLXTUCNXVJJG-HZSPNIEDSA-N 2 1 303.472 0.575 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000702348560 666939798 /nfs/dbraw/zinc/93/97/98/666939798.db2.gz CQJARZINQBJPJH-ZBFHGGJFSA-N 2 1 304.438 0.608 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000702348560 666939801 /nfs/dbraw/zinc/93/98/01/666939801.db2.gz CQJARZINQBJPJH-ZBFHGGJFSA-N 2 1 304.438 0.608 10 0 DCAEMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720841274 685315701 /nfs/dbraw/zinc/31/57/01/685315701.db2.gz RHZNSDFMTQYKPE-GMTAPVOTSA-N 2 1 300.321 0.079 10 0 DCAEMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720841274 685315705 /nfs/dbraw/zinc/31/57/05/685315705.db2.gz RHZNSDFMTQYKPE-GMTAPVOTSA-N 2 1 300.321 0.079 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000130265405 297275056 /nfs/dbraw/zinc/27/50/56/297275056.db2.gz YUBOIWUINXYGHO-UMVBOHGHSA-N 2 1 310.442 0.584 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2C(=O)CCC2=O)CC1 ZINC000105862552 194149381 /nfs/dbraw/zinc/14/93/81/194149381.db2.gz RAJWIQOLEQAOOW-ZDUSSCGKSA-N 2 1 311.426 0.160 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111866566 285033694 /nfs/dbraw/zinc/03/36/94/285033694.db2.gz KISLDVHULFQJED-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111868070 285034081 /nfs/dbraw/zinc/03/40/81/285034081.db2.gz DRDJLPRLCMLLDD-HOTGVXAUSA-N 2 1 324.469 0.977 10 0 DCAEMP C[NH2+]CCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000121056424 132151740 /nfs/dbraw/zinc/15/17/40/132151740.db2.gz WMBDBLIUXNQALU-UHFFFAOYSA-N 2 1 304.438 0.530 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000247024539 395964694 /nfs/dbraw/zinc/96/46/94/395964694.db2.gz MCBSGBMMQZHRQM-LSDHHAIUSA-N 2 1 306.410 0.951 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000247024539 395964697 /nfs/dbraw/zinc/96/46/97/395964697.db2.gz MCBSGBMMQZHRQM-LSDHHAIUSA-N 2 1 306.410 0.951 10 0 DCAEMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(=O)n(C)c1=O ZINC000247295856 395970702 /nfs/dbraw/zinc/97/07/02/395970702.db2.gz ZKYBZNLWISCEQT-JSGCOSHPSA-N 2 1 306.410 0.000 10 0 DCAEMP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(=O)n(C)c1=O ZINC000247295856 395970704 /nfs/dbraw/zinc/97/07/04/395970704.db2.gz ZKYBZNLWISCEQT-JSGCOSHPSA-N 2 1 306.410 0.000 10 0 DCAEMP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(=O)n(C)c1=O ZINC000247295856 395970706 /nfs/dbraw/zinc/97/07/06/395970706.db2.gz ZKYBZNLWISCEQT-JSGCOSHPSA-N 2 1 306.410 0.000 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000247597467 395976551 /nfs/dbraw/zinc/97/65/51/395976551.db2.gz SQAAFWPUKOXFFO-HOTGVXAUSA-N 2 1 324.469 0.977 10 0 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/nfs/dbraw/zinc/08/00/65/396080065.db2.gz KQVAGUOHNVRJFN-MJBXVCDLSA-N 2 1 307.394 0.756 10 0 DCAEMP CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261955377 396084098 /nfs/dbraw/zinc/08/40/98/396084098.db2.gz ABRSGHBTLJYHDN-CQSZACIVSA-N 2 1 310.442 0.045 10 0 DCAEMP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178295408 396192730 /nfs/dbraw/zinc/19/27/30/396192730.db2.gz GDVNRGXRZHHKHX-ZDUSSCGKSA-N 2 1 308.382 0.335 10 0 DCAEMP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178295408 396192733 /nfs/dbraw/zinc/19/27/33/396192733.db2.gz GDVNRGXRZHHKHX-ZDUSSCGKSA-N 2 1 308.382 0.335 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000578521736 397447772 /nfs/dbraw/zinc/44/77/72/397447772.db2.gz KQWUTHDNYDTFLE-LSDHHAIUSA-N 2 1 320.441 0.341 10 0 DCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000122071980 158219073 /nfs/dbraw/zinc/21/90/73/158219073.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000122071980 158219075 /nfs/dbraw/zinc/21/90/75/158219075.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COC2CCOCC2)CC[NH+]1C ZINC000122071980 158219077 /nfs/dbraw/zinc/21/90/77/158219077.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COC2CCOCC2)CC[NH+]1C ZINC000122071980 158219078 /nfs/dbraw/zinc/21/90/78/158219078.db2.gz PPQLSULVYDFPCT-ILXRZTDVSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000180753369 287089805 /nfs/dbraw/zinc/08/98/05/287089805.db2.gz BOQFNTAISXRBHF-ZIAGYGMSSA-N 2 1 324.469 0.710 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000111856657 415697088 /nfs/dbraw/zinc/69/70/88/415697088.db2.gz BMEFYIZAMCHWSM-UKRRQHHQSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000111856657 415697094 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ZINC000261950619 396083597 /nfs/dbraw/zinc/08/35/97/396083597.db2.gz KBUGOLYUCPNZLZ-HUUCEWRRSA-N 2 1 313.442 0.310 10 0 DCAEMP CC(C)[N@H+]1CCc2nc(CNC[C@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC000263195626 396205293 /nfs/dbraw/zinc/20/52/93/396205293.db2.gz IJACRUYAJJJHFV-DGCLKSJQSA-N 2 1 310.467 0.580 10 0 DCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263066517 396199702 /nfs/dbraw/zinc/19/97/02/396199702.db2.gz WAHZDDVDGJLHTP-RHSMWYFYSA-N 2 1 324.469 0.517 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710606 396241330 /nfs/dbraw/zinc/24/13/30/396241330.db2.gz ZXEPYHARXCOHFE-HIFRSBDPSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000181710606 396241334 /nfs/dbraw/zinc/24/13/34/396241334.db2.gz ZXEPYHARXCOHFE-HIFRSBDPSA-N 2 1 312.458 0.567 10 0 DCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COC(C)(C)C ZINC000182951011 396257602 /nfs/dbraw/zinc/25/76/02/396257602.db2.gz QMOGQSKSFSUBPM-OAHLLOKOSA-N 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396828877 /nfs/dbraw/zinc/82/88/77/396828877.db2.gz OZFLHCPAMQNMCH-CABCVRRESA-N 2 1 308.426 0.070 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333725732 396931263 /nfs/dbraw/zinc/93/12/63/396931263.db2.gz VJICMZQVRDLOSA-LSDHHAIUSA-N 2 1 309.458 0.160 10 0 DCAEMP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333719124 396931291 /nfs/dbraw/zinc/93/12/91/396931291.db2.gz UGJOKVCTUMTJJA-HUUCEWRRSA-N 2 1 303.410 0.880 10 0 DCAEMP C[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000333840267 396933796 /nfs/dbraw/zinc/93/37/96/396933796.db2.gz ODKBLMPRRKGAHV-UONOGXRCSA-N 2 1 312.458 0.615 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000105875773 158131376 /nfs/dbraw/zinc/13/13/76/158131376.db2.gz PCUYMMDRXKTAMP-UHFFFAOYSA-N 2 1 305.382 0.226 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000117480075 158172400 /nfs/dbraw/zinc/17/24/00/158172400.db2.gz VWHIIGYVPOOJGX-CABCVRRESA-N 2 1 324.469 0.833 10 0 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CC[NH+]1CCC[C@@H]1CN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000177486935 279297662 /nfs/dbraw/zinc/29/76/62/279297662.db2.gz IQTKWYNBKDMTDI-CQSZACIVSA-N 2 1 300.447 0.690 10 0 DCAEMP CC1(C)C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH3+] ZINC000261732405 281245256 /nfs/dbraw/zinc/24/52/56/281245256.db2.gz LIHVJPPEFWTDKR-OLZOCXBDSA-N 2 1 303.472 0.717 10 0 DCAEMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333928415 289037892 /nfs/dbraw/zinc/03/78/92/289037892.db2.gz XGRQLZOBKVCMKS-YIDVYQOGSA-N 2 1 324.469 0.471 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000570950872 333171526 /nfs/dbraw/zinc/17/15/26/333171526.db2.gz KLNDLZJFSPEPOR-NFAWXSAZSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570950872 333171528 /nfs/dbraw/zinc/17/15/28/333171528.db2.gz KLNDLZJFSPEPOR-NFAWXSAZSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570950872 333171529 /nfs/dbraw/zinc/17/15/29/333171529.db2.gz KLNDLZJFSPEPOR-NFAWXSAZSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)CN1CC[NH+](C)CC1 ZINC000237447117 524444396 /nfs/dbraw/zinc/44/43/96/524444396.db2.gz ORNBIUCLADJHBJ-QZWWFDLISA-N 2 1 322.497 0.907 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000342084247 546117429 /nfs/dbraw/zinc/11/74/29/546117429.db2.gz BDJVEVIUTPOJSC-XQLPTFJDSA-N 2 1 312.458 0.566 10 0 DCAEMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1C[NH3+] ZINC000251583901 665611704 /nfs/dbraw/zinc/61/17/04/665611704.db2.gz CMJLXTUCNXVJJG-RDBSUJKOSA-N 2 1 303.472 0.575 10 0 DCAEMP CS(=O)(=O)N1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678208 658852648 /nfs/dbraw/zinc/85/26/48/658852648.db2.gz ZZVAFMOPWHLVOY-AGUYFDCRSA-N 2 1 301.456 0.484 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702407852 666954795 /nfs/dbraw/zinc/95/47/95/666954795.db2.gz GHDORISBHXJTNA-HOTGVXAUSA-N 2 1 304.438 0.514 10 0 DCAEMP CS(=O)(=O)N[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000702955469 667018425 /nfs/dbraw/zinc/01/84/25/667018425.db2.gz VHLORXVOWGWQOR-GSPSYOTPSA-N 2 1 301.456 0.531 10 0 DCAEMP O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000390702321 685260208 /nfs/dbraw/zinc/26/02/08/685260208.db2.gz DMNDKDXKTLCZKQ-HZPDHXFCSA-N 2 1 323.462 0.932 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSCC[NH+](C)C)C1 ZINC000106427527 194212321 /nfs/dbraw/zinc/21/23/21/194212321.db2.gz LFLWDOBVCBYLSZ-CQSZACIVSA-N 2 1 317.499 0.754 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000111866569 285021723 /nfs/dbraw/zinc/02/17/23/285021723.db2.gz KISLDVHULFQJED-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033903 395850783 /nfs/dbraw/zinc/85/07/83/395850783.db2.gz XAXUAUGEYIDPPU-UKRRQHHQSA-N 2 1 310.442 0.443 10 0 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/nfs/dbraw/zinc/06/59/31/396065931.db2.gz SFLNDSMPBJTMEC-UHFFFAOYSA-N 2 1 322.384 0.518 10 0 DCAEMP CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000261797379 396067341 /nfs/dbraw/zinc/06/73/41/396067341.db2.gz YIYLJPPGNHZLOP-UHFFFAOYSA-N 2 1 304.394 0.086 10 0 DCAEMP C[C@@H]1CN(CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000249276129 396005671 /nfs/dbraw/zinc/00/56/71/396005671.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[N@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000249276129 396005674 /nfs/dbraw/zinc/00/56/74/396005674.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[N@@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000249276129 396005676 /nfs/dbraw/zinc/00/56/76/396005676.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[NH+](CCN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000249276129 396005678 /nfs/dbraw/zinc/00/56/78/396005678.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[NH+](CCN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000249276129 396005682 /nfs/dbraw/zinc/00/56/82/396005682.db2.gz LASBGODDFJEBNA-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H](C(=O)N1CCCCCC1)N(C)CC(=O)N1CCNCC1 ZINC000261983823 396086562 /nfs/dbraw/zinc/08/65/62/396086562.db2.gz RTJGNODQMFFKLF-AWEZNQCLSA-N 2 1 310.442 0.141 10 0 DCAEMP COc1c(C)c[nH+]c(CN(C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000261996557 396088587 /nfs/dbraw/zinc/08/85/87/396088587.db2.gz UOQWRLZEWFHZMA-UHFFFAOYSA-N 2 1 306.410 0.571 10 0 DCAEMP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000262309259 396121376 /nfs/dbraw/zinc/12/13/76/396121376.db2.gz CSGLETYRSARVAC-KQTLUZQSSA-N 2 1 309.454 0.942 10 0 DCAEMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263149354 396203823 /nfs/dbraw/zinc/20/38/23/396203823.db2.gz CYSAKTLOKVLMKH-WFASDCNBSA-N 2 1 302.378 0.755 10 0 DCAEMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192111517 396430057 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ZINC000638802732 417561344 /nfs/dbraw/zinc/56/13/44/417561344.db2.gz BZAZVWGEKGDMLI-SJORKVTESA-N 2 1 317.433 0.861 10 0 DCAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638802730 417562885 /nfs/dbraw/zinc/56/28/85/417562885.db2.gz BZAZVWGEKGDMLI-IAGOWNOFSA-N 2 1 317.433 0.861 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000358660296 271065229 /nfs/dbraw/zinc/06/52/29/271065229.db2.gz GDXYWCVFOYBCSM-INIZCTEOSA-N 2 1 324.469 0.784 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000546566502 288018853 /nfs/dbraw/zinc/01/88/53/288018853.db2.gz MMNVMTPTLYNUKP-INIZCTEOSA-N 2 1 323.485 0.574 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000184831040 288107162 /nfs/dbraw/zinc/10/71/62/288107162.db2.gz JJSIMWYPFVSTRC-CABCVRRESA-N 2 1 314.474 0.815 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333806168 280358464 /nfs/dbraw/zinc/35/84/64/280358464.db2.gz IOACKYUIODGTPC-BZUAXINKSA-N 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CC1(C)COCCN1CCNC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171686988 158385020 /nfs/dbraw/zinc/38/50/20/158385020.db2.gz UXIJHCUAXCUIRS-OAHLLOKOSA-N 2 1 324.469 0.977 10 0 DCAEMP CC1(C)CN(CCNC(=O)N2CCN3CCCC[C@@H]3C2)CCO1 ZINC000171675710 158385483 /nfs/dbraw/zinc/38/54/83/158385483.db2.gz UGPJWSGNPXGALL-OAHLLOKOSA-N 2 1 324.469 0.977 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000367242410 159324035 /nfs/dbraw/zinc/32/40/35/159324035.db2.gz AAMDLNBSXJMIOX-KRWDZBQOSA-N 2 1 310.486 0.419 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000333824326 287147674 /nfs/dbraw/zinc/14/76/74/287147674.db2.gz LIWXCBLKRUXWAK-KBUPBQIOSA-N 2 1 310.442 0.489 10 0 DCAEMP CN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333514185 415670857 /nfs/dbraw/zinc/67/08/57/415670857.db2.gz FXRJPQJLRSOVRB-PMPSAXMXSA-N 2 1 324.469 0.758 10 0 DCAEMP C[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)N1CCOCC1 ZINC000115796676 415729362 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C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173274136 416055655 /nfs/dbraw/zinc/05/56/55/416055655.db2.gz OFFYFTQYDRVJQA-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173274136 416055659 /nfs/dbraw/zinc/05/56/59/416055659.db2.gz OFFYFTQYDRVJQA-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000175744542 416113031 /nfs/dbraw/zinc/11/30/31/416113031.db2.gz HAVXLAOQVMEVEV-GOEBONIOSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000175744542 416113037 /nfs/dbraw/zinc/11/30/37/416113037.db2.gz HAVXLAOQVMEVEV-GOEBONIOSA-N 2 1 324.469 0.833 10 0 DCAEMP O=C([C@@H]1COCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000178828509 416174386 /nfs/dbraw/zinc/17/43/86/416174386.db2.gz ICJRSRSVNWHBRK-HNNXBMFYSA-N 2 1 311.426 0.078 10 0 DCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262540363 416337006 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CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000186956181 528290127 /nfs/dbraw/zinc/29/01/27/528290127.db2.gz IJRQCVNROZRRNO-HNNXBMFYSA-N 2 1 314.474 0.984 10 0 DCAEMP COCC1(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC[NH2+]CC1 ZINC000333634327 546087996 /nfs/dbraw/zinc/08/79/96/546087996.db2.gz HDKUBSYKUIUXQC-CQSZACIVSA-N 2 1 316.421 0.346 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1 ZINC000333795003 546092772 /nfs/dbraw/zinc/09/27/72/546092772.db2.gz GVCWCZHDSZWZDI-HOTGVXAUSA-N 2 1 323.485 0.407 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000725272102 548750208 /nfs/dbraw/zinc/75/02/08/548750208.db2.gz MLHKMAOZCUZOON-ZYHUDNBSSA-N 2 1 311.455 0.614 10 0 DCAEMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@H]1C(C)C ZINC000888097299 661176323 /nfs/dbraw/zinc/17/63/23/661176323.db2.gz HCWGWTZUZRMNHI-FPCVCCKLSA-N 2 1 307.442 0.775 10 0 DCAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3nc4ccccn4c3=O)C[C@H]21 ZINC000262353688 657741126 /nfs/dbraw/zinc/74/11/26/657741126.db2.gz VPKPGFUQOPZBAZ-BFHYXJOUSA-N 2 1 301.394 0.555 10 0 DCAEMP CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000702991967 667021799 /nfs/dbraw/zinc/02/17/99/667021799.db2.gz GJMLORIJQSIAFR-LLVKDONJSA-N 2 1 315.464 0.517 10 0 DCAEMP CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000702991967 667021803 /nfs/dbraw/zinc/02/18/03/667021803.db2.gz GJMLORIJQSIAFR-LLVKDONJSA-N 2 1 315.464 0.517 10 0 DCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000066245628 685066021 /nfs/dbraw/zinc/06/60/21/685066021.db2.gz ZBMWXSBUSXSCQE-CABCVRRESA-N 2 1 311.474 0.343 10 0 DCAEMP O=S(=O)(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000405149845 774151770 /nfs/dbraw/zinc/15/17/70/774151770.db2.gz AEUXYDHGDRRCJY-AWEZNQCLSA-N 2 1 309.435 0.542 10 0 DCAEMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000072424815 191159557 /nfs/dbraw/zinc/15/95/57/191159557.db2.gz ISKRRNZOCAMKAH-CQSZACIVSA-N 2 1 305.426 0.463 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000171908290 285022133 /nfs/dbraw/zinc/02/21/33/285022133.db2.gz LCBHCPFVVGGJBR-HUUCEWRRSA-N 2 1 310.442 0.587 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171908290 285022134 /nfs/dbraw/zinc/02/21/34/285022134.db2.gz LCBHCPFVVGGJBR-HUUCEWRRSA-N 2 1 310.442 0.587 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171908290 285022135 /nfs/dbraw/zinc/02/21/35/285022135.db2.gz LCBHCPFVVGGJBR-HUUCEWRRSA-N 2 1 310.442 0.587 10 0 DCAEMP CN1[C@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000248037410 257111068 /nfs/dbraw/zinc/11/10/68/257111068.db2.gz UXYKIPCDHQJOIJ-CWRNSKLLSA-N 2 1 320.437 0.462 10 0 DCAEMP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCC(=O)N3CC[NH+](C)C)cn1 ZINC000248026357 257111733 /nfs/dbraw/zinc/11/17/33/257111733.db2.gz SKELPEWNWVNPKB-LSDHHAIUSA-N 2 1 305.426 0.547 10 0 DCAEMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000101587042 395765480 /nfs/dbraw/zinc/76/54/80/395765480.db2.gz BVYRTUHKNKDQNL-CYBMUJFWSA-N 2 1 319.409 0.970 10 0 DCAEMP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000101587042 395765483 /nfs/dbraw/zinc/76/54/83/395765483.db2.gz BVYRTUHKNKDQNL-CYBMUJFWSA-N 2 1 319.409 0.970 10 0 DCAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248614416 395991225 /nfs/dbraw/zinc/99/12/25/395991225.db2.gz LPFUMDZXSRFRER-ZNMIVQPWSA-N 2 1 314.474 0.813 10 0 DCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@@H]1C ZINC000252671497 396024163 /nfs/dbraw/zinc/02/41/63/396024163.db2.gz VYCWVLWTOQMMBI-GVRJEKJASA-N 2 1 309.454 0.821 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@@H]1C ZINC000252671497 396024168 /nfs/dbraw/zinc/02/41/68/396024168.db2.gz VYCWVLWTOQMMBI-GVRJEKJASA-N 2 1 309.454 0.821 10 0 DCAEMP C[C@@H]1C[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@H+]1C ZINC000262142324 396103526 /nfs/dbraw/zinc/10/35/26/396103526.db2.gz HFQYCNLUZBALRZ-CABCVRRESA-N 2 1 319.453 0.903 10 0 DCAEMP C[NH+]1CCN(CCCCNC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000071699795 396114106 /nfs/dbraw/zinc/11/41/06/396114106.db2.gz HDRGQLBXYVBSMT-UHFFFAOYSA-N 2 1 304.438 0.903 10 0 DCAEMP C[C@]1(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939849 396081581 /nfs/dbraw/zinc/08/15/81/396081581.db2.gz DNIYVHNLDNDZGS-KRWDZBQOSA-N 2 1 308.470 0.616 10 0 DCAEMP C[C@]1(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261939849 396081586 /nfs/dbraw/zinc/08/15/86/396081586.db2.gz DNIYVHNLDNDZGS-KRWDZBQOSA-N 2 1 308.470 0.616 10 0 DCAEMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1C[NH2+]C1 ZINC000263248961 396209470 /nfs/dbraw/zinc/20/94/70/396209470.db2.gz DNNSKXOUNWEDOV-AWEZNQCLSA-N 2 1 302.422 0.533 10 0 DCAEMP CC(C)(C[NH3+])NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000262539150 396152215 /nfs/dbraw/zinc/15/22/15/396152215.db2.gz DUMKNDMUGPIPAT-UHFFFAOYSA-N 2 1 304.438 0.658 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)CN1CC[NH+](C)CC1 ZINC000262647224 396167804 /nfs/dbraw/zinc/16/78/04/396167804.db2.gz ORNBIUCLADJHBJ-NCOADZHNSA-N 2 1 322.497 0.907 10 0 DCAEMP O=C([C@@H]1CC(F)(F)CN1)N1CC[C@H](CN2CCOCC2)C1 ZINC000263281702 396211067 /nfs/dbraw/zinc/21/10/67/396211067.db2.gz UJHZKWVQFXMGDP-NEPJUHHUSA-N 2 1 303.353 0.164 10 0 DCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000262984855 396196427 /nfs/dbraw/zinc/19/64/27/396196427.db2.gz NBTJCTAEJTXCSQ-UHFFFAOYSA-N 2 1 324.469 0.389 10 0 DCAEMP C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188739414 396385041 /nfs/dbraw/zinc/38/50/41/396385041.db2.gz FRVMTJLHKQQTIL-UONOGXRCSA-N 2 1 300.422 0.076 10 0 DCAEMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188973534 396389307 /nfs/dbraw/zinc/38/93/07/396389307.db2.gz CGUIEZMWYITSMK-QWHCGFSZSA-N 2 1 301.406 0.503 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000584686158 396614949 /nfs/dbraw/zinc/61/49/49/396614949.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1C1CC1 ZINC000584686158 396614951 /nfs/dbraw/zinc/61/49/51/396614951.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)C[NH+]1C1CC1 ZINC000584686158 396614952 /nfs/dbraw/zinc/61/49/52/396614952.db2.gz IKVVWMLOIFDUCY-IPYPFGDCSA-N 2 1 320.437 0.034 10 0 DCAEMP CNS(=O)(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000408424703 397356851 /nfs/dbraw/zinc/35/68/51/397356851.db2.gz GZGKTXXEEMSEAH-DZGCQCFKSA-N 2 1 315.483 0.874 10 0 DCAEMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073010008 158053986 /nfs/dbraw/zinc/05/39/86/158053986.db2.gz VWYWSFIOCFMXDK-DLBZAZTESA-N 2 1 319.449 0.996 10 0 DCAEMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073010008 158053988 /nfs/dbraw/zinc/05/39/88/158053988.db2.gz VWYWSFIOCFMXDK-DLBZAZTESA-N 2 1 319.449 0.996 10 0 DCAEMP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000262084082 158771623 /nfs/dbraw/zinc/77/16/23/158771623.db2.gz CNUPVYUWFNMWQX-XHSDSOJGSA-N 2 1 317.437 0.418 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000246012711 287075341 /nfs/dbraw/zinc/07/53/41/287075341.db2.gz KUKFNBAMSJKHMN-HUUCEWRRSA-N 2 1 312.458 0.689 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2CCO[C@@H](C)C2)CC1 ZINC000248948855 287103775 /nfs/dbraw/zinc/10/37/75/287103775.db2.gz CUEXXEKXHJBHSK-HOTGVXAUSA-N 2 1 313.486 0.732 10 0 DCAEMP Cn1ccnc(N2CCC[C@@H]([NH2+]C3CC[NH+](C)CC3)C2)c1=O ZINC000275586780 415377494 /nfs/dbraw/zinc/37/74/94/415377494.db2.gz PLPDCAJYYIPLDT-CQSZACIVSA-N 2 1 305.426 0.433 10 0 DCAEMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333388182 415632226 /nfs/dbraw/zinc/63/22/26/415632226.db2.gz OKAURKTZOQAILE-JSGCOSHPSA-N 2 1 302.394 0.050 10 0 DCAEMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000333388182 415632232 /nfs/dbraw/zinc/63/22/32/415632232.db2.gz OKAURKTZOQAILE-JSGCOSHPSA-N 2 1 302.394 0.050 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505447 416060073 /nfs/dbraw/zinc/06/00/73/416060073.db2.gz PPBSJXKPJXPRIY-JKSUJKDBSA-N 2 1 323.485 0.360 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000174623811 416080641 /nfs/dbraw/zinc/08/06/41/416080641.db2.gz QTBYGBHGBPIHRG-UONOGXRCSA-N 2 1 300.447 0.689 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000174623811 416080644 /nfs/dbraw/zinc/08/06/44/416080644.db2.gz QTBYGBHGBPIHRG-UONOGXRCSA-N 2 1 300.447 0.689 10 0 DCAEMP COCC[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174623811 416080649 /nfs/dbraw/zinc/08/06/49/416080649.db2.gz QTBYGBHGBPIHRG-UONOGXRCSA-N 2 1 300.447 0.689 10 0 DCAEMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000180839159 416201546 /nfs/dbraw/zinc/20/15/46/416201546.db2.gz NLGWVWRQJDYNCW-OAHLLOKOSA-N 2 1 319.453 0.449 10 0 DCAEMP CCN(C)C(=O)CC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182904717 416232350 /nfs/dbraw/zinc/23/23/50/416232350.db2.gz RMSLSSGCIMQPNZ-INIZCTEOSA-N 2 1 310.486 0.957 10 0 DCAEMP CCN(C)C(=O)CC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182904717 416232354 /nfs/dbraw/zinc/23/23/54/416232354.db2.gz RMSLSSGCIMQPNZ-INIZCTEOSA-N 2 1 310.486 0.957 10 0 DCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000261626751 416335732 /nfs/dbraw/zinc/33/57/32/416335732.db2.gz ARWXMQALPFVZSR-ZFWWWQNUSA-N 2 1 319.405 0.547 10 0 DCAEMP [NH3+]C[C@@H]1CCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000237946676 416329189 /nfs/dbraw/zinc/32/91/89/416329189.db2.gz NXOJUYCOKRIUQU-KRWDZBQOSA-N 2 1 316.449 0.754 10 0 DCAEMP C[C@H]1C[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000535265170 416519643 /nfs/dbraw/zinc/51/96/43/416519643.db2.gz WKTAFHNFKHGGON-GXTWGEPZSA-N 2 1 303.410 0.840 10 0 DCAEMP CC(=O)N[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000617503237 417227592 /nfs/dbraw/zinc/22/75/92/417227592.db2.gz AJPRVJJVLMJWPM-ZFWWWQNUSA-N 2 1 314.474 0.535 10 0 DCAEMP CC(=O)N[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000617503237 417227600 /nfs/dbraw/zinc/22/76/00/417227600.db2.gz AJPRVJJVLMJWPM-ZFWWWQNUSA-N 2 1 314.474 0.535 10 0 DCAEMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638837542 417565948 /nfs/dbraw/zinc/56/59/48/417565948.db2.gz ZPDROMBBANKNPG-IMJJTQAJSA-N 2 1 305.422 0.844 10 0 DCAEMP O=C([C@@H]1C[NH2+]CCOC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000649268405 418217537 /nfs/dbraw/zinc/21/75/37/418217537.db2.gz BGUVQZRVUYFZTR-QGZVFWFLSA-N 2 1 317.433 0.957 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000358660299 271064976 /nfs/dbraw/zinc/06/49/76/271064976.db2.gz GDXYWCVFOYBCSM-MRXNPFEDSA-N 2 1 324.469 0.784 10 0 DCAEMP CC1(C)C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH3+] ZINC000261732402 276133418 /nfs/dbraw/zinc/13/34/18/276133418.db2.gz LIHVJPPEFWTDKR-CHWSQXEVSA-N 2 1 303.472 0.717 10 0 DCAEMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261982927 277221979 /nfs/dbraw/zinc/22/19/79/277221979.db2.gz RSZWHRNYWAJCJF-QBPKDAKJSA-N 2 1 311.470 0.844 10 0 DCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000309795511 546023389 /nfs/dbraw/zinc/02/33/89/546023389.db2.gz IODOPZGHOKMNRH-ZDUSSCGKSA-N 2 1 316.409 0.487 10 0 DCAEMP O=C(CC[N@H+]1CCS[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000721485390 657945295 /nfs/dbraw/zinc/94/52/95/657945295.db2.gz JPGJWTWDIGCSIJ-JTQLQIEISA-N 2 1 311.373 0.788 10 0 DCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000261930372 661853713 /nfs/dbraw/zinc/85/37/13/661853713.db2.gz CRVBHKVGOUCDHW-UHFFFAOYSA-N 2 1 302.422 0.140 10 0 DCAEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000057169558 664427871 /nfs/dbraw/zinc/42/78/71/664427871.db2.gz PDERBVVOPVXLJU-HRCADAONSA-N 2 1 321.465 0.946 10 0 DCAEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000057169558 664427873 /nfs/dbraw/zinc/42/78/73/664427873.db2.gz PDERBVVOPVXLJU-HRCADAONSA-N 2 1 321.465 0.946 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702390982 666947584 /nfs/dbraw/zinc/94/75/84/666947584.db2.gz KNVPDXUMXYORAA-HYVNUMGLSA-N 2 1 318.465 0.902 10 0 DCAEMP O=S(=O)(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000390702324 685260694 /nfs/dbraw/zinc/26/06/94/685260694.db2.gz DMNDKDXKTLCZKQ-JKSUJKDBSA-N 2 1 323.462 0.932 10 0 DCAEMP CCN1CC[NH+](CCCNC(=O)c2ccccc2C[NH3+])CC1 ZINC000071699820 1173831715 /nfs/dbraw/zinc/83/17/15/1173831715.db2.gz VBTQRPHMOYOZBU-UHFFFAOYSA-N 2 1 304.438 0.903 10 0 DCAEMP CN1CCO[C@@H](CNC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000104791542 194039404 /nfs/dbraw/zinc/03/94/04/194039404.db2.gz XQWKJTCXVIMHDK-INIZCTEOSA-N 2 1 320.437 0.748 10 0 DCAEMP [NH3+]C1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000032076550 395708778 /nfs/dbraw/zinc/70/87/78/395708778.db2.gz DZDZDUMGRIKHRY-UHFFFAOYSA-N 2 1 316.449 0.754 10 0 DCAEMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245925156 395938481 /nfs/dbraw/zinc/93/84/81/395938481.db2.gz HNBHLBKGYJGGDM-AAEUAGOBSA-N 2 1 307.398 0.890 10 0 DCAEMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245925156 395938482 /nfs/dbraw/zinc/93/84/82/395938482.db2.gz HNBHLBKGYJGGDM-AAEUAGOBSA-N 2 1 307.398 0.890 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000247024519 395964564 /nfs/dbraw/zinc/96/45/64/395964564.db2.gz MCBSGBMMQZHRQM-HUUCEWRRSA-N 2 1 306.410 0.951 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000247024519 395964567 /nfs/dbraw/zinc/96/45/67/395964567.db2.gz MCBSGBMMQZHRQM-HUUCEWRRSA-N 2 1 306.410 0.951 10 0 DCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262241843 396114764 /nfs/dbraw/zinc/11/47/64/396114764.db2.gz KYQNNIUVPABEDH-OAGGEKHMSA-N 2 1 319.453 0.714 10 0 DCAEMP CC[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000262271068 396116499 /nfs/dbraw/zinc/11/64/99/396116499.db2.gz NAOCALQXINXXMN-UONOGXRCSA-N 2 1 313.442 0.046 10 0 DCAEMP C[NH+](C)C1(CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCOCC1 ZINC000261919487 396079274 /nfs/dbraw/zinc/07/92/74/396079274.db2.gz KBKXSRIZXMWLFF-XHSDSOJGSA-N 2 1 311.470 0.844 10 0 DCAEMP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261948832 396082408 /nfs/dbraw/zinc/08/24/08/396082408.db2.gz NWUPNTLXDRMUCZ-KSZLIROESA-N 3 1 324.513 0.759 10 0 DCAEMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178319347 396194178 /nfs/dbraw/zinc/19/41/78/396194178.db2.gz ZTNDHAGXNONARG-CYBMUJFWSA-N 2 1 307.398 0.892 10 0 DCAEMP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178319347 396194186 /nfs/dbraw/zinc/19/41/86/396194186.db2.gz ZTNDHAGXNONARG-CYBMUJFWSA-N 2 1 307.398 0.892 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000185035717 396315015 /nfs/dbraw/zinc/31/50/15/396315015.db2.gz CSAWIOXGKVYYQU-OAHLLOKOSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](CC)C2CC2)CC1 ZINC000185035717 396315018 /nfs/dbraw/zinc/31/50/18/396315018.db2.gz CSAWIOXGKVYYQU-OAHLLOKOSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000184682857 396301547 /nfs/dbraw/zinc/30/15/47/396301547.db2.gz YOTBAHKUPYCITD-AWEZNQCLSA-N 2 1 300.447 0.426 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000184693302 396302885 /nfs/dbraw/zinc/30/28/85/396302885.db2.gz LNSCVUWQDCLEOQ-HNNXBMFYSA-N 2 1 314.474 0.816 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000184777020 396306290 /nfs/dbraw/zinc/30/62/90/396306290.db2.gz HLPZPUJCADYZQC-MRXNPFEDSA-N 2 1 324.469 0.711 10 0 DCAEMP c1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc(N2CCOCC2)[nH+]1 ZINC000515187049 396501646 /nfs/dbraw/zinc/50/16/46/396501646.db2.gz NQDYGGBZLRVCCO-INIZCTEOSA-N 2 1 303.410 0.893 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1C1CC1 ZINC000584686160 396614615 /nfs/dbraw/zinc/61/46/15/396614615.db2.gz IKVVWMLOIFDUCY-UMVBOHGHSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1C1CC1 ZINC000584686160 396614618 /nfs/dbraw/zinc/61/46/18/396614618.db2.gz IKVVWMLOIFDUCY-UMVBOHGHSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1C1CC1 ZINC000584686160 396614621 /nfs/dbraw/zinc/61/46/21/396614621.db2.gz IKVVWMLOIFDUCY-UMVBOHGHSA-N 2 1 320.437 0.034 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000572202522 397033480 /nfs/dbraw/zinc/03/34/80/397033480.db2.gz BDULJLJHBLGCQS-UHFFFAOYSA-N 2 1 313.490 0.606 10 0 DCAEMP CN(CC1CC1)C(=O)CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388767 397639017 /nfs/dbraw/zinc/63/90/17/397639017.db2.gz JSBBKPKDFVJJGY-MRXNPFEDSA-N 2 1 308.470 0.567 10 0 DCAEMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119452224 158187540 /nfs/dbraw/zinc/18/75/40/158187540.db2.gz GHCIERDEEQAPGJ-INIZCTEOSA-N 2 1 308.470 0.711 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000122071659 158218381 /nfs/dbraw/zinc/21/83/81/158218381.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000122071659 158218382 /nfs/dbraw/zinc/21/83/82/158218382.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC2CCOCC2)CC[NH+]1C ZINC000122071659 158218383 /nfs/dbraw/zinc/21/83/83/158218383.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COC2CCOCC2)CC[NH+]1C ZINC000122071659 158218384 /nfs/dbraw/zinc/21/83/84/158218384.db2.gz PPQLSULVYDFPCT-KFWWJZLASA-N 2 1 300.443 0.957 10 0 DCAEMP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154588330 158350997 /nfs/dbraw/zinc/35/09/97/158350997.db2.gz GXNBROHSZDGRFX-WCQYABFASA-N 2 1 308.382 0.334 10 0 DCAEMP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154588330 158350999 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C[C@H]1C[C@H](N(C)CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC000123854506 415846021 /nfs/dbraw/zinc/84/60/21/415846021.db2.gz VJPOGDGBLCBCIJ-UONOGXRCSA-N 2 1 310.442 0.140 10 0 DCAEMP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173274124 416056275 /nfs/dbraw/zinc/05/62/75/416056275.db2.gz OFFYFTQYDRVJQA-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173274124 416056278 /nfs/dbraw/zinc/05/62/78/416056278.db2.gz OFFYFTQYDRVJQA-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000175760921 416112426 /nfs/dbraw/zinc/11/24/26/416112426.db2.gz IMCBFYXQXOANOS-HNNXBMFYSA-N 2 1 312.458 0.834 10 0 DCAEMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1COCC[NH2+]1 ZINC000178687928 416169397 /nfs/dbraw/zinc/16/93/97/416169397.db2.gz CAKVPSPGNLAZFC-KRWDZBQOSA-N 2 1 317.433 0.798 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000263108274 416337527 /nfs/dbraw/zinc/33/75/27/416337527.db2.gz DFMQYIDNYFJNBF-GUTXKFCHSA-N 2 1 312.458 0.465 10 0 DCAEMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020968 416533278 /nfs/dbraw/zinc/53/32/78/416533278.db2.gz VAXLQZRBVWFGDO-WFASDCNBSA-N 2 1 303.410 0.697 10 0 DCAEMP CC[C@@H](CO)[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194783489 261148418 /nfs/dbraw/zinc/14/84/18/261148418.db2.gz ATWWYMWLSVGKRX-HNNXBMFYSA-N 2 1 309.454 0.776 10 0 DCAEMP CC(=O)[C@](C)(O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000347733603 277100752 /nfs/dbraw/zinc/10/07/52/277100752.db2.gz GKCAHXFPPVOCMZ-YQQAZPJKSA-N 2 1 311.470 0.817 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000172624453 279330629 /nfs/dbraw/zinc/33/06/29/279330629.db2.gz WXCXXSODAJWLOJ-HUUCEWRRSA-N 2 1 310.442 0.444 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000172624453 279330631 /nfs/dbraw/zinc/33/06/31/279330631.db2.gz WXCXXSODAJWLOJ-HUUCEWRRSA-N 2 1 310.442 0.444 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN3CC[C@H]([NH3+])C(C)(C)C3)cn2)CC1 ZINC000261871341 290059012 /nfs/dbraw/zinc/05/90/12/290059012.db2.gz SZRDDVQYGGGAEK-HNNXBMFYSA-N 2 1 318.469 0.788 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN3CC[C@@H]([NH3+])C(C)(C)C3)cn2)CC1 ZINC000261871344 290059183 /nfs/dbraw/zinc/05/91/83/290059183.db2.gz SZRDDVQYGGGAEK-OAHLLOKOSA-N 2 1 318.469 0.788 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000246744488 297274963 /nfs/dbraw/zinc/27/49/63/297274963.db2.gz YUBOIWUINXYGHO-NFAWXSAZSA-N 2 1 310.442 0.584 10 0 DCAEMP COCC[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389949046 685258144 /nfs/dbraw/zinc/25/81/44/685258144.db2.gz RQDAAJHXHVBQEC-CWRNSKLLSA-N 2 1 305.422 0.987 10 0 DCAEMP Cn1ncc(C[NH3+])c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000719301514 685309429 /nfs/dbraw/zinc/30/94/29/685309429.db2.gz HLNKQZKXZUVSNP-UHFFFAOYSA-N 2 1 301.394 0.741 10 0 DCAEMP COC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720821980 685315867 /nfs/dbraw/zinc/31/58/67/685315867.db2.gz HLMDTVUEDWTYQQ-LZLYRXPVSA-N 2 1 317.433 0.941 10 0 DCAEMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246483973 395950642 /nfs/dbraw/zinc/95/06/42/395950642.db2.gz OVFAOKZJTKYAHU-ZNMIVQPWSA-N 2 1 322.453 0.187 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000261633998 396051095 /nfs/dbraw/zinc/05/10/95/396051095.db2.gz CJECHFZIPCIBFR-KRWDZBQOSA-N 2 1 317.433 0.882 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000261633998 396051100 /nfs/dbraw/zinc/05/11/00/396051100.db2.gz CJECHFZIPCIBFR-KRWDZBQOSA-N 2 1 317.433 0.882 10 0 DCAEMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261982929 396086924 /nfs/dbraw/zinc/08/69/24/396086924.db2.gz RSZWHRNYWAJCJF-TWMKSMIVSA-N 2 1 311.470 0.844 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262089374 396098092 /nfs/dbraw/zinc/09/80/92/396098092.db2.gz URRWLRNKOCYFFV-KRWDZBQOSA-N 2 1 310.486 0.862 10 0 DCAEMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)[nH+]1 ZINC000261884816 396075694 /nfs/dbraw/zinc/07/56/94/396075694.db2.gz UXLMRMPIPJXPFI-CABCVRRESA-N 2 1 318.421 0.981 10 0 DCAEMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccco1 ZINC000261923404 396080402 /nfs/dbraw/zinc/08/04/02/396080402.db2.gz KQVAGUOHNVRJFN-MGPQQGTHSA-N 2 1 307.394 0.756 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262638840 396165856 /nfs/dbraw/zinc/16/58/56/396165856.db2.gz JKMKDIBSBLKSGD-JKSUJKDBSA-N 2 1 305.422 0.783 10 0 DCAEMP O=C([C@@H]1CC(F)(F)CN1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000263281708 396210899 /nfs/dbraw/zinc/21/08/99/396210899.db2.gz UJHZKWVQFXMGDP-RYUDHWBXSA-N 2 1 303.353 0.164 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C[NH+]1CCOCC1 ZINC000263291939 396211751 /nfs/dbraw/zinc/21/17/51/396211751.db2.gz WOYNQYBXPYUFAT-WCVJEAGWSA-N 2 1 309.454 0.992 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[NH+](CC)CC)CC1 ZINC000184682871 396301469 /nfs/dbraw/zinc/30/14/69/396301469.db2.gz YOTBAHKUPYCITD-CQSZACIVSA-N 2 1 300.447 0.426 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000396340610 397310583 /nfs/dbraw/zinc/31/05/83/397310583.db2.gz BTASSDGRZNWMDQ-FVQBIDKESA-N 2 1 303.406 0.442 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000396340610 397310588 /nfs/dbraw/zinc/31/05/88/397310588.db2.gz BTASSDGRZNWMDQ-FVQBIDKESA-N 2 1 303.406 0.442 10 0 DCAEMP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCCCO)CC2)C1 ZINC000105915157 158132478 /nfs/dbraw/zinc/13/24/78/158132478.db2.gz CWRVKNBZVAGSOV-QGZVFWFLSA-N 2 1 313.486 0.876 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000117473699 158171742 /nfs/dbraw/zinc/17/17/42/158171742.db2.gz YHWVFGJIKZRMEH-AWEZNQCLSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000117473699 158171744 /nfs/dbraw/zinc/17/17/44/158171744.db2.gz YHWVFGJIKZRMEH-AWEZNQCLSA-N 2 1 324.469 0.975 10 0 DCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCn3ccnc3)CC2)CC1 ZINC000131869672 158305871 /nfs/dbraw/zinc/30/58/71/158305871.db2.gz IRAKCVIXMDWLQJ-UHFFFAOYSA-N 2 1 319.453 0.759 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000333824328 287147653 /nfs/dbraw/zinc/14/76/53/287147653.db2.gz LIWXCBLKRUXWAK-LXTVHRRPSA-N 2 1 310.442 0.489 10 0 DCAEMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000176003465 416119181 /nfs/dbraw/zinc/11/91/81/416119181.db2.gz HCAQLPKDCAVGDB-INIZCTEOSA-N 2 1 310.486 0.955 10 0 DCAEMP C[NH+](C)C[C@@](C)(O)CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000328627652 416122662 /nfs/dbraw/zinc/12/26/62/416122662.db2.gz GKLRVOJHZPYXEV-DOMZBBRYSA-N 2 1 309.414 0.792 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1 ZINC000458665615 416487400 /nfs/dbraw/zinc/48/74/00/416487400.db2.gz QVDNPDAUCXHVRO-INIZCTEOSA-N 2 1 324.469 0.784 10 0 DCAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458665615 416487404 /nfs/dbraw/zinc/48/74/04/416487404.db2.gz QVDNPDAUCXHVRO-INIZCTEOSA-N 2 1 324.469 0.784 10 0 DCAEMP CC1=CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458665615 416487409 /nfs/dbraw/zinc/48/74/09/416487409.db2.gz QVDNPDAUCXHVRO-INIZCTEOSA-N 2 1 324.469 0.784 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000543685293 416643754 /nfs/dbraw/zinc/64/37/54/416643754.db2.gz ZVUPPZBYJJQXLW-UHFFFAOYSA-N 2 1 313.490 0.607 10 0 DCAEMP c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000564259097 416888416 /nfs/dbraw/zinc/88/84/16/416888416.db2.gz VYWZCDHPQSNFLZ-ZDUSSCGKSA-N 2 1 303.410 1.209 10 0 DCAEMP c1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000564259097 416888423 /nfs/dbraw/zinc/88/84/23/416888423.db2.gz VYWZCDHPQSNFLZ-ZDUSSCGKSA-N 2 1 303.410 1.209 10 0 DCAEMP CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632417747 417072896 /nfs/dbraw/zinc/07/28/96/417072896.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 2 1 319.471 0.063 10 0 DCAEMP CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632417747 417072903 /nfs/dbraw/zinc/07/29/03/417072903.db2.gz MKFHGSXJALFMLD-KGLIPLIRSA-N 2 1 319.471 0.063 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[N@@H+](C)Cc1ccccc1 ZINC000649332189 418240734 /nfs/dbraw/zinc/24/07/34/418240734.db2.gz DQJBONLDFPRLPJ-GDBMZVCRSA-N 2 1 305.422 0.859 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC000185258775 261119264 /nfs/dbraw/zinc/11/92/64/261119264.db2.gz VOTSSDIBSSPPDR-LBPRGKRZSA-N 2 1 311.430 0.660 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(N(C)C)no2)CC1 ZINC000185258775 261119267 /nfs/dbraw/zinc/11/92/67/261119267.db2.gz VOTSSDIBSSPPDR-LBPRGKRZSA-N 2 1 311.430 0.660 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488720230 272048260 /nfs/dbraw/zinc/04/82/60/272048260.db2.gz PHLBBTNYUSHDHL-SYMSYNOKSA-N 2 1 300.443 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@H](CO)[C@@H]1C ZINC000488720230 272048262 /nfs/dbraw/zinc/04/82/62/272048262.db2.gz PHLBBTNYUSHDHL-SYMSYNOKSA-N 2 1 300.443 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@H](CO)[C@@H]1C ZINC000488720230 272048263 /nfs/dbraw/zinc/04/82/63/272048263.db2.gz PHLBBTNYUSHDHL-SYMSYNOKSA-N 2 1 300.443 0.408 10 0 DCAEMP CC1(C)C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1[NH3+] ZINC000261732410 276132934 /nfs/dbraw/zinc/13/29/34/276132934.db2.gz LIHVJPPEFWTDKR-STQMWFEESA-N 2 1 303.472 0.717 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+](C)CCOC ZINC000177486954 279325708 /nfs/dbraw/zinc/32/57/08/279325708.db2.gz IQTKWYNBKDMTDI-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@H+](C)CCOC ZINC000177486954 279325710 /nfs/dbraw/zinc/32/57/10/279325710.db2.gz IQTKWYNBKDMTDI-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP CC[NH+]1CCC[C@H]1CN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000177486954 279325711 /nfs/dbraw/zinc/32/57/11/279325711.db2.gz IQTKWYNBKDMTDI-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP 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/nfs/dbraw/zinc/95/65/58/666956558.db2.gz NQUGRPBFNKGDNZ-SJORKVTESA-N 2 1 318.465 0.856 10 0 DCAEMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000711418086 667464107 /nfs/dbraw/zinc/46/41/07/667464107.db2.gz MDCQXFIAXLDFJC-ZUEPYMLJSA-N 2 1 313.442 0.946 10 0 DCAEMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000711418086 667464108 /nfs/dbraw/zinc/46/41/08/667464108.db2.gz MDCQXFIAXLDFJC-ZUEPYMLJSA-N 2 1 313.442 0.946 10 0 DCAEMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000712539953 670150813 /nfs/dbraw/zinc/15/08/13/670150813.db2.gz JQROAIBHZZFORM-ZDUSSCGKSA-N 2 1 303.472 0.732 10 0 DCAEMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000712539953 670150815 /nfs/dbraw/zinc/15/08/15/670150815.db2.gz JQROAIBHZZFORM-ZDUSSCGKSA-N 2 1 303.472 0.732 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251748771 685185789 /nfs/dbraw/zinc/18/57/89/685185789.db2.gz LFLCKFOIRIGAGY-OCCSQVGLSA-N 2 1 301.456 0.484 10 0 DCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000180753387 237259792 /nfs/dbraw/zinc/25/97/92/237259792.db2.gz BOQFNTAISXRBHF-UONOGXRCSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000180478031 296181929 /nfs/dbraw/zinc/18/19/29/296181929.db2.gz ABNNCBCQWVOVFP-JKSUJKDBSA-N 2 1 313.486 0.732 10 0 DCAEMP CN(CC(=O)N1CC[NH2+]CC1)c1cc[nH+]cc1Br ZINC000163940130 132127112 /nfs/dbraw/zinc/12/71/12/132127112.db2.gz YDRCEERNFZFWLZ-UHFFFAOYSA-N 2 1 313.199 0.712 10 0 DCAEMP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000101587041 395765657 /nfs/dbraw/zinc/76/56/57/395765657.db2.gz BVYRTUHKNKDQNL-ZDUSSCGKSA-N 2 1 319.409 0.970 10 0 DCAEMP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000101587041 395765658 /nfs/dbraw/zinc/76/56/58/395765658.db2.gz BVYRTUHKNKDQNL-ZDUSSCGKSA-N 2 1 319.409 0.970 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033900 395850126 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/nfs/dbraw/zinc/20/62/32/396206232.db2.gz IYKGHKPFNBXOJY-FUHWJXTLSA-N 3 1 318.465 0.498 10 0 DCAEMP CCOc1c(OC)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263243114 396208671 /nfs/dbraw/zinc/20/86/71/396208671.db2.gz OXJIGUJFZHYUDN-QWHCGFSZSA-N 2 1 310.394 0.772 10 0 DCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC(F)F ZINC000263153334 396203841 /nfs/dbraw/zinc/20/38/41/396203841.db2.gz DFPBAQOANXILAU-MNOVXSKESA-N 2 1 302.321 0.967 10 0 DCAEMP C[NH+](C)C1CCN(CCNC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000179318477 396226050 /nfs/dbraw/zinc/22/60/50/396226050.db2.gz SVMUZDVNNGAICU-UHFFFAOYSA-N 2 1 323.485 0.502 10 0 DCAEMP [NH3+]Cc1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000186610288 396353324 /nfs/dbraw/zinc/35/33/24/396353324.db2.gz YFNYFDBHHQREQB-HNNXBMFYSA-N 2 1 316.405 0.182 10 0 DCAEMP C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328626824 396824516 /nfs/dbraw/zinc/82/45/16/396824516.db2.gz FLUCUNAIQZWDDC-GFCCVEGCSA-N 2 1 305.382 0.176 10 0 DCAEMP C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328626824 396824522 /nfs/dbraw/zinc/82/45/22/396824522.db2.gz FLUCUNAIQZWDDC-GFCCVEGCSA-N 2 1 305.382 0.176 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000105875659 158130563 /nfs/dbraw/zinc/13/05/63/158130563.db2.gz VSWOBFFFPSJQJM-UHFFFAOYSA-N 2 1 306.410 0.533 10 0 DCAEMP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000107283072 158134819 /nfs/dbraw/zinc/13/48/19/158134819.db2.gz UIPDXOFVIRTFLV-MRXNPFEDSA-N 2 1 310.486 0.957 10 0 DCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCn3cncn3)CC2)CC1 ZINC000329202247 159073583 /nfs/dbraw/zinc/07/35/83/159073583.db2.gz CFTKHUAVNATYRI-UHFFFAOYSA-N 2 1 320.441 0.154 10 0 DCAEMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000408381477 160095734 /nfs/dbraw/zinc/09/57/34/160095734.db2.gz KYNXIONLQRBIIU-YWVIFJGQSA-N 2 1 309.454 0.963 10 0 DCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000245469769 287069857 /nfs/dbraw/zinc/06/98/57/287069857.db2.gz VPIHVTVWVYKHIO-GJZGRUSLSA-N 2 1 324.469 0.387 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000111690555 415697050 /nfs/dbraw/zinc/69/70/50/415697050.db2.gz DDZYGHHZARCUML-HNNXBMFYSA-N 2 1 320.437 0.658 10 0 DCAEMP C[C@H]1C[N@H+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000333623497 415697231 /nfs/dbraw/zinc/69/72/31/415697231.db2.gz PYMXNYUKGDLUGN-HNSVSWJLSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000333623497 415697239 /nfs/dbraw/zinc/69/72/39/415697239.db2.gz PYMXNYUKGDLUGN-HNSVSWJLSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333623497 415697243 /nfs/dbraw/zinc/69/72/43/415697243.db2.gz PYMXNYUKGDLUGN-HNSVSWJLSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000333623497 415697250 /nfs/dbraw/zinc/69/72/50/415697250.db2.gz PYMXNYUKGDLUGN-HNSVSWJLSA-N 2 1 324.469 0.710 10 0 DCAEMP O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333719072 415721023 /nfs/dbraw/zinc/72/10/23/415721023.db2.gz UGJOKVCTUMTJJA-CABCVRRESA-N 2 1 303.410 0.880 10 0 DCAEMP CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000177696307 416150493 /nfs/dbraw/zinc/15/04/93/416150493.db2.gz PLVMEURLOOSKBC-HOTGVXAUSA-N 2 1 310.486 0.955 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CN(C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000177696307 416150497 /nfs/dbraw/zinc/15/04/97/416150497.db2.gz PLVMEURLOOSKBC-HOTGVXAUSA-N 2 1 310.486 0.955 10 0 DCAEMP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000183681924 416248088 /nfs/dbraw/zinc/24/80/88/416248088.db2.gz XGTOEOAPVKTVSV-UHFFFAOYSA-N 2 1 306.410 0.724 10 0 DCAEMP Cc1cc(N2CC[C@H](N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C2=O)n(C)n1 ZINC000193598567 416318511 /nfs/dbraw/zinc/31/85/11/416318511.db2.gz CDCAGTSRZWUASQ-MJBXVCDLSA-N 2 1 303.410 0.327 10 0 DCAEMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCCN1 ZINC000237900289 416329170 /nfs/dbraw/zinc/32/91/70/416329170.db2.gz HRMYWUPUZOBLAR-HOTGVXAUSA-N 2 1 303.406 0.756 10 0 DCAEMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCNc1cc[nH+]cc1 ZINC000536020967 416533587 /nfs/dbraw/zinc/53/35/87/416533587.db2.gz VAXLQZRBVWFGDO-SWLSCSKDSA-N 2 1 303.410 0.697 10 0 DCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788143 417361909 /nfs/dbraw/zinc/36/19/09/417361909.db2.gz QTQQCEORFYRTOG-GDBMZVCRSA-N 2 1 305.422 0.859 10 0 DCAEMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263279444 278045268 /nfs/dbraw/zinc/04/52/68/278045268.db2.gz TZLVSMBPKGNOMV-SWLSCSKDSA-N 2 1 302.378 0.551 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248650702 279105656 /nfs/dbraw/zinc/10/56/56/279105656.db2.gz UTHNMNCVMJSPJW-KGLIPLIRSA-N 2 1 300.447 0.425 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000117046379 289215506 /nfs/dbraw/zinc/21/55/06/289215506.db2.gz KVANUWLZZMLTTP-HNNXBMFYSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@H](CCNC(=O)[C@@H](N)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000702381030 666946816 /nfs/dbraw/zinc/94/68/16/666946816.db2.gz AIELTTKQGGLOHD-ZBFHGGJFSA-N 2 1 306.454 0.902 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702407851 666954858 /nfs/dbraw/zinc/95/48/58/666954858.db2.gz GHDORISBHXJTNA-CVEARBPZSA-N 2 1 304.438 0.514 10 0 DCAEMP C[NH+]1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702842293 667010317 /nfs/dbraw/zinc/01/03/17/667010317.db2.gz MZTUGHHIIJNVLO-JSGCOSHPSA-N 2 1 313.442 0.898 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000705322843 667304385 /nfs/dbraw/zinc/30/43/85/667304385.db2.gz APGIHGBCIXHFHI-HOTGVXAUSA-N 2 1 304.438 0.656 10 0 DCAEMP Cn1ncc(C[NH3+])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719293299 685309499 /nfs/dbraw/zinc/30/94/99/685309499.db2.gz IULQDQSQYZPTIZ-OAHLLOKOSA-N 2 1 313.405 0.883 10 0 DCAEMP C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH2+]1 ZINC000262390265 291038918 /nfs/dbraw/zinc/03/89/18/291038918.db2.gz PHAOXKBBIRDCAO-KKUMJFAQSA-N 2 1 322.453 0.140 10 0 DCAEMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC(N)=O ZINC000179388334 199026963 /nfs/dbraw/zinc/02/69/63/199026963.db2.gz LANUCNKSYVJJKI-UHFFFAOYSA-N 2 1 319.409 0.815 10 0 DCAEMP O=C(NCCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173272154 295642512 /nfs/dbraw/zinc/64/25/12/295642512.db2.gz RCFNEGSGIYFAJC-HNNXBMFYSA-N 2 1 308.426 0.364 10 0 DCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000333121572 285320918 /nfs/dbraw/zinc/32/09/18/285320918.db2.gz ANTRMYPZXHSQHB-HUUCEWRRSA-N 2 1 311.474 0.263 10 0 DCAEMP c1cc2c(c(CC[NH+]3CCNCC[NH2+]CCNCC3)c1)NCC2 ZINC000089210572 395708737 /nfs/dbraw/zinc/70/87/37/395708737.db2.gz USQKBEZGGXDBJF-UHFFFAOYSA-N 2 1 317.481 0.282 10 0 DCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237510753 395914105 /nfs/dbraw/zinc/91/41/05/395914105.db2.gz QGHCAHPJEZRUAV-ZDUSSCGKSA-N 2 1 320.441 0.807 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247598631 395976445 /nfs/dbraw/zinc/97/64/45/395976445.db2.gz TUOFKBRPNRTIEK-JKSUJKDBSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247598631 395976449 /nfs/dbraw/zinc/97/64/49/395976449.db2.gz TUOFKBRPNRTIEK-JKSUJKDBSA-N 2 1 324.469 0.833 10 0 DCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000274820445 395978901 /nfs/dbraw/zinc/97/89/01/395978901.db2.gz JPDGYKSSIDPMQE-TZMCWYRMSA-N 2 1 304.394 0.682 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000274820445 395978906 /nfs/dbraw/zinc/97/89/06/395978906.db2.gz JPDGYKSSIDPMQE-TZMCWYRMSA-N 2 1 304.394 0.682 10 0 DCAEMP O=C(NCCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173272139 396134697 /nfs/dbraw/zinc/13/46/97/396134697.db2.gz RCFNEGSGIYFAJC-OAHLLOKOSA-N 2 1 308.426 0.364 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@@H]1C ZINC000168049045 286083952 /nfs/dbraw/zinc/08/39/52/286083952.db2.gz XKMGYALZJYYSGC-AWEZNQCLSA-N 2 1 313.442 0.324 10 0 DCAEMP CCOCC[N@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@@H]1C ZINC000168049045 286083953 /nfs/dbraw/zinc/08/39/53/286083953.db2.gz XKMGYALZJYYSGC-AWEZNQCLSA-N 2 1 313.442 0.324 10 0 DCAEMP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCOCC1 ZINC000079066986 158078044 /nfs/dbraw/zinc/07/80/44/158078044.db2.gz UXEFLPZSUJIVGW-OAHLLOKOSA-N 2 1 314.474 0.984 10 0 DCAEMP Cc1[nH+]ccn1-c1cncc(N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000161985747 158359341 /nfs/dbraw/zinc/35/93/41/158359341.db2.gz VDKUJFFXDYUBTE-ZDUSSCGKSA-N 2 1 302.382 0.738 10 0 DCAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046720 287090666 /nfs/dbraw/zinc/09/06/66/287090666.db2.gz NZTBLUMQDARDNP-GOEBONIOSA-N 2 1 324.469 0.339 10 0 DCAEMP COC[C@@H](C)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000249969668 287118687 /nfs/dbraw/zinc/11/86/87/287118687.db2.gz XLYVADKZJPVUBC-IRXDYDNUSA-N 2 1 313.486 0.996 10 0 DCAEMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085819932 415504538 /nfs/dbraw/zinc/50/45/38/415504538.db2.gz DDXHYSFYZHUJEK-CABCVRRESA-N 2 1 317.499 0.932 10 0 DCAEMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085819932 415504545 /nfs/dbraw/zinc/50/45/45/415504545.db2.gz DDXHYSFYZHUJEK-CABCVRRESA-N 2 1 317.499 0.932 10 0 DCAEMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085819932 415504550 /nfs/dbraw/zinc/50/45/50/415504550.db2.gz DDXHYSFYZHUJEK-CABCVRRESA-N 2 1 317.499 0.932 10 0 DCAEMP CCS(=O)(=O)NCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000109328344 415683296 /nfs/dbraw/zinc/68/32/96/415683296.db2.gz GPYDAZUPYFQHMM-UHFFFAOYSA-N 2 1 303.472 0.734 10 0 DCAEMP CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816630 415746614 /nfs/dbraw/zinc/74/66/14/415746614.db2.gz QKOVQKRQHVUHLA-UGUYLWEFSA-N 2 1 318.421 0.406 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000171896211 416042518 /nfs/dbraw/zinc/04/25/18/416042518.db2.gz VDZJQWQMQZPXQS-HNNXBMFYSA-N 2 1 312.458 0.882 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000173891355 416068106 /nfs/dbraw/zinc/06/81/06/416068106.db2.gz YRNYREFRUBERQN-HNNXBMFYSA-N 2 1 312.458 0.882 10 0 DCAEMP CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000179057821 416181237 /nfs/dbraw/zinc/18/12/37/416181237.db2.gz KWFFEDLBGXZKDP-QGZVFWFLSA-N 2 1 316.449 0.625 10 0 DCAEMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649279144 418219191 /nfs/dbraw/zinc/21/91/91/418219191.db2.gz ZGCIMZGVIYOIJD-CVEARBPZSA-N 2 1 303.406 0.613 10 0 DCAEMP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000193475429 261142315 /nfs/dbraw/zinc/14/23/15/261142315.db2.gz XDWBAVKJWHFXOH-GOEBONIOSA-N 2 1 324.469 0.617 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)COC1 ZINC000488742613 272050063 /nfs/dbraw/zinc/05/00/63/272050063.db2.gz FUFNFCNJIJRJDG-FZKCQIBNSA-N 2 1 312.454 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1CC1(C[NH+]2CC[C@@H](CO)[C@@H]2C)COC1 ZINC000488742613 272050066 /nfs/dbraw/zinc/05/00/66/272050066.db2.gz FUFNFCNJIJRJDG-FZKCQIBNSA-N 2 1 312.454 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@@H+]1CC1(C[NH+]2CC[C@@H](CO)[C@@H]2C)COC1 ZINC000488742613 272050068 /nfs/dbraw/zinc/05/00/68/272050068.db2.gz FUFNFCNJIJRJDG-FZKCQIBNSA-N 2 1 312.454 0.408 10 0 DCAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690909 276225558 /nfs/dbraw/zinc/22/55/58/276225558.db2.gz BKKDFDBCEIPETG-JSGCOSHPSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690909 276225560 /nfs/dbraw/zinc/22/55/60/276225560.db2.gz BKKDFDBCEIPETG-JSGCOSHPSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690909 276225561 /nfs/dbraw/zinc/22/55/61/276225561.db2.gz BKKDFDBCEIPETG-JSGCOSHPSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185188821 279105838 /nfs/dbraw/zinc/10/58/38/279105838.db2.gz UTHNMNCVMJSPJW-UONOGXRCSA-N 2 1 300.447 0.425 10 0 DCAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000161934687 527399290 /nfs/dbraw/zinc/39/92/90/527399290.db2.gz JOPVIAPHNPVNNV-CYBMUJFWSA-N 2 1 300.428 0.595 10 0 DCAEMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000161934687 527399295 /nfs/dbraw/zinc/39/92/95/527399295.db2.gz JOPVIAPHNPVNNV-CYBMUJFWSA-N 2 1 300.428 0.595 10 0 DCAEMP C[C@@H]1CN(Cc2cnc(NC(=O)C[NH+](C)C)s2)CC[C@@H]1[NH3+] ZINC000725273041 548750277 /nfs/dbraw/zinc/75/02/77/548750277.db2.gz XPLCDERITYDLIV-PWSUYJOCSA-N 2 1 311.455 0.812 10 0 DCAEMP COC[C@]1(C(=O)NCC[N@@H+](C)Cc2ccccc2)C[NH2+]CCO1 ZINC000710821796 667446257 /nfs/dbraw/zinc/44/62/57/667446257.db2.gz GROIOIYLOYMKTP-KRWDZBQOSA-N 2 1 321.421 0.240 10 0 DCAEMP O=C1CC[NH+](CCCCCC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000105570199 296322852 /nfs/dbraw/zinc/32/28/52/296322852.db2.gz RKWBKMICWIISAF-UHFFFAOYSA-N 2 1 310.442 0.191 10 0 DCAEMP NC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103286448 395773167 /nfs/dbraw/zinc/77/31/67/395773167.db2.gz LYPXDRMPEWXHFC-OAHLLOKOSA-N 2 1 322.453 0.459 10 0 DCAEMP C[NH+]1CCC[C@H]1CNC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194696869 395804910 /nfs/dbraw/zinc/80/49/10/395804910.db2.gz DUVMZDQNNDMIMT-GJZGRUSLSA-N 2 1 324.469 0.578 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000113604652 395831407 /nfs/dbraw/zinc/83/14/07/395831407.db2.gz MIWPVTGDVOXECP-GDBMZVCRSA-N 2 1 324.469 0.975 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194582031 395800473 /nfs/dbraw/zinc/80/04/73/395800473.db2.gz DEXQFXBALJORAS-INIZCTEOSA-N 2 1 309.454 0.776 10 0 DCAEMP CCC[NH2+]CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236759854 395897683 /nfs/dbraw/zinc/89/76/83/395897683.db2.gz KWMUYVJMULAFIS-UHFFFAOYSA-N 2 1 318.465 0.920 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000247366834 395972275 /nfs/dbraw/zinc/97/22/75/395972275.db2.gz OXGCUWWBWFJMGF-HUUCEWRRSA-N 2 1 314.474 0.983 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247366834 395972277 /nfs/dbraw/zinc/97/22/77/395972277.db2.gz OXGCUWWBWFJMGF-HUUCEWRRSA-N 2 1 314.474 0.983 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247366834 395972279 /nfs/dbraw/zinc/97/22/79/395972279.db2.gz OXGCUWWBWFJMGF-HUUCEWRRSA-N 2 1 314.474 0.983 10 0 DCAEMP CC(C)NS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262044896 396093282 /nfs/dbraw/zinc/09/32/82/396093282.db2.gz YZJSXACWGLOGOL-MJBXVCDLSA-N 2 1 319.471 0.061 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262240176 396114344 /nfs/dbraw/zinc/11/43/44/396114344.db2.gz KUYCNBSRBWXTEG-BBWFWOEESA-N 2 1 317.433 0.738 10 0 DCAEMP C[NH2+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378071 396132572 /nfs/dbraw/zinc/13/25/72/396132572.db2.gz MOLRYKJMIOQMTL-HUUCEWRRSA-N 2 1 305.426 0.767 10 0 DCAEMP [NH3+]C1(C(=O)N2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000261873269 396074008 /nfs/dbraw/zinc/07/40/08/396074008.db2.gz OKTJJPIUOKTZCR-UHFFFAOYSA-N 2 1 317.433 0.881 10 0 DCAEMP CC(C)[N@H+]1CCc2nc(CNC[C@@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263195624 396205241 /nfs/dbraw/zinc/20/52/41/396205241.db2.gz IJACRUYAJJJHFV-AAEUAGOBSA-N 2 1 310.467 0.580 10 0 DCAEMP O=C([C@H]1CC(F)(F)CN1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000263281705 396211275 /nfs/dbraw/zinc/21/12/75/396211275.db2.gz UJHZKWVQFXMGDP-NWDGAFQWSA-N 2 1 303.353 0.164 10 0 DCAEMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263149352 396203486 /nfs/dbraw/zinc/20/34/86/396203486.db2.gz CYSAKTLOKVLMKH-SWLSCSKDSA-N 2 1 302.378 0.755 10 0 DCAEMP CCOC(=O)COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263298492 396213065 /nfs/dbraw/zinc/21/30/65/396213065.db2.gz WRPIKFQPUIJNFT-DZGCQCFKSA-N 2 1 308.378 0.298 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000186360342 396348784 /nfs/dbraw/zinc/34/87/84/396348784.db2.gz SHPDTQWELXWOHH-HUUCEWRRSA-N 2 1 314.474 0.815 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186360342 396348786 /nfs/dbraw/zinc/34/87/86/396348786.db2.gz SHPDTQWELXWOHH-HUUCEWRRSA-N 2 1 314.474 0.815 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000186360342 396348789 /nfs/dbraw/zinc/34/87/89/396348789.db2.gz SHPDTQWELXWOHH-HUUCEWRRSA-N 2 1 314.474 0.815 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479603 396419728 /nfs/dbraw/zinc/41/97/28/396419728.db2.gz MWXAROWNONMJJS-HZPDHXFCSA-N 2 1 310.486 0.988 10 0 DCAEMP Cc1nccn1-c1cncc(N2CCN(C[C@@H](C)O)CC2)n1 ZINC000302522058 396719401 /nfs/dbraw/zinc/71/94/01/396719401.db2.gz JACJPTJTQJSHBE-GFCCVEGCSA-N 2 1 302.382 0.474 10 0 DCAEMP [NH3+]Cc1cn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000303430848 396724981 /nfs/dbraw/zinc/72/49/81/396724981.db2.gz BRDJMGCLEQECHO-UHFFFAOYSA-N 2 1 314.393 0.081 10 0 DCAEMP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328638159 396828063 /nfs/dbraw/zinc/82/80/63/396828063.db2.gz OZFLHCPAMQNMCH-LSDHHAIUSA-N 2 1 308.426 0.070 10 0 DCAEMP C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328638159 396828067 /nfs/dbraw/zinc/82/80/67/396828067.db2.gz OZFLHCPAMQNMCH-LSDHHAIUSA-N 2 1 308.426 0.070 10 0 DCAEMP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328638157 396829540 /nfs/dbraw/zinc/82/95/40/396829540.db2.gz OZFLHCPAMQNMCH-GJZGRUSLSA-N 2 1 308.426 0.070 10 0 DCAEMP C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328638157 396829543 /nfs/dbraw/zinc/82/95/43/396829543.db2.gz OZFLHCPAMQNMCH-GJZGRUSLSA-N 2 1 308.426 0.070 10 0 DCAEMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000122020975 158217261 /nfs/dbraw/zinc/21/72/61/158217261.db2.gz BYFWKOBAGXHNQM-AWEZNQCLSA-N 2 1 306.410 0.532 10 0 DCAEMP C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000133983016 158323049 /nfs/dbraw/zinc/32/30/49/158323049.db2.gz QDDACOSFMHXEFL-MGPQQGTHSA-N 2 1 313.467 0.261 10 0 DCAEMP CC1(C)COCCN1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000171687025 158385946 /nfs/dbraw/zinc/38/59/46/158385946.db2.gz KCHJHNCMCFGHMD-UHFFFAOYSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907912 158388207 /nfs/dbraw/zinc/38/82/07/158388207.db2.gz ZAIUQPGQNXJTGP-LSDHHAIUSA-N 2 1 309.458 0.112 10 0 DCAEMP Cc1nccn1-c1cncc(N2CC[N@@H+]3CCOC[C@H]3C2)n1 ZINC000329410206 159089684 /nfs/dbraw/zinc/08/96/84/159089684.db2.gz DPOWCBDOSXFFMY-CYBMUJFWSA-N 2 1 300.366 0.492 10 0 DCAEMP Cc1nccn1-c1cncc(N2CC[N@H+]3CCOC[C@H]3C2)n1 ZINC000329410206 159089686 /nfs/dbraw/zinc/08/96/86/159089686.db2.gz DPOWCBDOSXFFMY-CYBMUJFWSA-N 2 1 300.366 0.492 10 0 DCAEMP CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000249721375 287117735 /nfs/dbraw/zinc/11/77/35/287117735.db2.gz MOZHYFNQNHEDMK-UKRRQHHQSA-N 2 1 310.442 0.140 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)C(C)C ZINC000111849904 415698368 /nfs/dbraw/zinc/69/83/68/415698368.db2.gz UUYHHJQZRYSQJC-AWEZNQCLSA-N 2 1 300.447 0.737 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+](C)C(C)C ZINC000111849904 415698374 /nfs/dbraw/zinc/69/83/74/415698374.db2.gz UUYHHJQZRYSQJC-AWEZNQCLSA-N 2 1 300.447 0.737 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+](C)C(C)C ZINC000111849904 415698381 /nfs/dbraw/zinc/69/83/81/415698381.db2.gz UUYHHJQZRYSQJC-AWEZNQCLSA-N 2 1 300.447 0.737 10 0 DCAEMP C[NH+](C)CCn1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000173935155 416069555 /nfs/dbraw/zinc/06/95/55/416069555.db2.gz QPGFSGRUAMPAHI-UHFFFAOYSA-N 2 1 306.414 0.757 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C[NH+]1CCOCC1 ZINC000175181528 416099533 /nfs/dbraw/zinc/09/95/33/416099533.db2.gz VSBRYEFIUDQEGX-HOTGVXAUSA-N 2 1 322.453 0.610 10 0 DCAEMP [NH3+]C[C@H]1CCCN1C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000238035447 416329691 /nfs/dbraw/zinc/32/96/91/416329691.db2.gz NXOJUYCOKRIUQU-QGZVFWFLSA-N 2 1 316.449 0.754 10 0 DCAEMP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000368569737 416668541 /nfs/dbraw/zinc/66/85/41/416668541.db2.gz ODSUTCAKXOXMMB-HUUCEWRRSA-N 2 1 318.421 0.218 10 0 DCAEMP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000368569737 416668544 /nfs/dbraw/zinc/66/85/44/416668544.db2.gz ODSUTCAKXOXMMB-HUUCEWRRSA-N 2 1 318.421 0.218 10 0 DCAEMP c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000372706025 416942607 /nfs/dbraw/zinc/94/26/07/416942607.db2.gz LYYQOAMNISZKMQ-UONOGXRCSA-N 2 1 303.410 1.352 10 0 DCAEMP c1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000372706025 416942614 /nfs/dbraw/zinc/94/26/14/416942614.db2.gz LYYQOAMNISZKMQ-UONOGXRCSA-N 2 1 303.410 1.352 10 0 DCAEMP C[N@@H+](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000395345123 417106698 /nfs/dbraw/zinc/10/66/98/417106698.db2.gz IJWJQYUZPMEERH-UHFFFAOYSA-N 2 1 318.465 0.918 10 0 DCAEMP CCn1nccc1CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000621776260 417294499 /nfs/dbraw/zinc/29/44/99/417294499.db2.gz HGCIHPRATHNREX-HNNXBMFYSA-N 2 1 303.414 0.833 10 0 DCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643788146 417360087 /nfs/dbraw/zinc/36/00/87/417360087.db2.gz QTQQCEORFYRTOG-ZBFHGGJFSA-N 2 1 305.422 0.859 10 0 DCAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638274381 417399695 /nfs/dbraw/zinc/39/96/95/417399695.db2.gz HTQJKUPGKYBKJB-HZPDHXFCSA-N 2 1 304.438 0.608 10 0 DCAEMP O=C([C@H]1C[NH2+]CCOC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649275665 418216962 /nfs/dbraw/zinc/21/69/62/418216962.db2.gz ZHVLVTUEVPQVHJ-INIZCTEOSA-N 2 1 303.406 0.567 10 0 DCAEMP Cn1ccc(N2CCC[C@@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n1 ZINC000193598477 277198325 /nfs/dbraw/zinc/19/83/25/277198325.db2.gz QLVHESCHOUOCSC-HZSPNIEDSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1ccc(N2CCC[C@@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n1 ZINC000193598477 277198327 /nfs/dbraw/zinc/19/83/27/277198327.db2.gz QLVHESCHOUOCSC-HZSPNIEDSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1ccc(N2CCC[C@@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)n1 ZINC000193598477 277198328 /nfs/dbraw/zinc/19/83/28/277198328.db2.gz QLVHESCHOUOCSC-HZSPNIEDSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1ccc(N2CCC[C@@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)n1 ZINC000193598477 277198330 /nfs/dbraw/zinc/19/83/30/277198330.db2.gz QLVHESCHOUOCSC-HZSPNIEDSA-N 2 1 303.410 0.409 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)C(C)C)C1 ZINC000156313483 519729882 /nfs/dbraw/zinc/72/98/82/519729882.db2.gz GOYZFTOGCDPLQC-HUUCEWRRSA-N 2 1 315.458 0.066 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](CO)C(C)C)C1 ZINC000156313612 519729913 /nfs/dbraw/zinc/72/99/13/519729913.db2.gz GOYZFTOGCDPLQC-LSDHHAIUSA-N 2 1 315.458 0.066 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC000117492351 523844860 /nfs/dbraw/zinc/84/48/60/523844860.db2.gz YQAXWEHCESPQQV-ZIAGYGMSSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC000117492351 523844871 /nfs/dbraw/zinc/84/48/71/523844871.db2.gz YQAXWEHCESPQQV-ZIAGYGMSSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C ZINC000117492351 523844875 /nfs/dbraw/zinc/84/48/75/523844875.db2.gz YQAXWEHCESPQQV-ZIAGYGMSSA-N 2 1 312.458 0.831 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)C[C@H]1C ZINC000117492351 523844884 /nfs/dbraw/zinc/84/48/84/523844884.db2.gz YQAXWEHCESPQQV-ZIAGYGMSSA-N 2 1 312.458 0.831 10 0 DCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@@H]1C[NH3+] ZINC000251583886 665611755 /nfs/dbraw/zinc/61/17/55/665611755.db2.gz CMJLXTUCNXVJJG-MGPQQGTHSA-N 2 1 303.472 0.575 10 0 DCAEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000702086893 666913946 /nfs/dbraw/zinc/91/39/46/666913946.db2.gz OQUBOSXMZIKGKW-HZSPNIEDSA-N 2 1 301.456 0.199 10 0 DCAEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C2 ZINC000702086893 666913948 /nfs/dbraw/zinc/91/39/48/666913948.db2.gz OQUBOSXMZIKGKW-HZSPNIEDSA-N 2 1 301.456 0.199 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000702391732 666947326 /nfs/dbraw/zinc/94/73/26/666947326.db2.gz PNOSNTOUOSEKCN-INIZCTEOSA-N 2 1 304.438 0.610 10 0 DCAEMP CN1[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2C[C@H]1C(=O)NCC[NH+](C)C ZINC000248037412 257111204 /nfs/dbraw/zinc/11/12/04/257111204.db2.gz UXYKIPCDHQJOIJ-KBMXLJTQSA-N 2 1 320.437 0.462 10 0 DCAEMP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245922664 395938382 /nfs/dbraw/zinc/93/83/82/395938382.db2.gz GXNBROHSZDGRFX-DGCLKSJQSA-N 2 1 308.382 0.334 10 0 DCAEMP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245922664 395938386 /nfs/dbraw/zinc/93/83/86/395938386.db2.gz GXNBROHSZDGRFX-DGCLKSJQSA-N 2 1 308.382 0.334 10 0 DCAEMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC(=O)N1CC[NH2+]CC1 ZINC000261619558 396049840 /nfs/dbraw/zinc/04/98/40/396049840.db2.gz AORBLPUFCQSIBX-UHFFFAOYSA-N 2 1 322.384 0.518 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000261816188 396068539 /nfs/dbraw/zinc/06/85/39/396068539.db2.gz AFIGBZMUESRWFA-HEHGZKQESA-N 2 1 313.442 0.213 10 0 DCAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cn1 ZINC000261890225 396076764 /nfs/dbraw/zinc/07/67/64/396076764.db2.gz GJBLTOCRKZXFSU-GUTXKFCHSA-N 2 1 304.394 0.427 10 0 DCAEMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000162262817 396080355 /nfs/dbraw/zinc/08/03/55/396080355.db2.gz AKVQMRMGEGONIM-CABCVRRESA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000162262817 396080358 /nfs/dbraw/zinc/08/03/58/396080358.db2.gz AKVQMRMGEGONIM-CABCVRRESA-N 2 1 312.458 0.737 10 0 DCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1OC(F)F ZINC000263249396 396209598 /nfs/dbraw/zinc/20/95/98/396209598.db2.gz PRDJELBDVRIBMK-GHMZBOCLSA-N 2 1 302.321 0.967 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000263300670 396212934 /nfs/dbraw/zinc/21/29/34/396212934.db2.gz WZQSMMOKMIRCFQ-UKRRQHHQSA-N 2 1 300.362 0.939 10 0 DCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262660031 396169409 /nfs/dbraw/zinc/16/94/09/396169409.db2.gz FXLSSNVRSQZLLN-CABCVRRESA-N 2 1 324.469 0.517 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262660031 396169411 /nfs/dbraw/zinc/16/94/11/396169411.db2.gz FXLSSNVRSQZLLN-CABCVRRESA-N 2 1 324.469 0.517 10 0 DCAEMP CN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000262708572 396175326 /nfs/dbraw/zinc/17/53/26/396175326.db2.gz DWMQBEUOMZVRGJ-UONOGXRCSA-N 2 1 305.426 0.974 10 0 DCAEMP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C[NH+]1CCOCC1 ZINC000263291925 396212041 /nfs/dbraw/zinc/21/20/41/396212041.db2.gz WOYNQYBXPYUFAT-FPCVCCKLSA-N 2 1 309.454 0.992 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000262942541 396193265 /nfs/dbraw/zinc/19/32/65/396193265.db2.gz ADCHPSPCRWBPQT-YDHLFZDLSA-N 2 1 312.458 0.275 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186140900 396342487 /nfs/dbraw/zinc/34/24/87/396342487.db2.gz UYDABBGONWJUAV-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073010005 158054235 /nfs/dbraw/zinc/05/42/35/158054235.db2.gz VWYWSFIOCFMXDK-IRXDYDNUSA-N 2 1 319.449 0.996 10 0 DCAEMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000073010005 158054236 /nfs/dbraw/zinc/05/42/36/158054236.db2.gz VWYWSFIOCFMXDK-IRXDYDNUSA-N 2 1 319.449 0.996 10 0 DCAEMP CCNC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241658 158139997 /nfs/dbraw/zinc/13/99/97/158139997.db2.gz PZCGGOMJYUCAKJ-UHFFFAOYSA-N 2 1 324.469 0.389 10 0 DCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000171750176 158386456 /nfs/dbraw/zinc/38/64/56/158386456.db2.gz HLLFEHPFVFNCQD-OAHLLOKOSA-N 2 1 323.485 0.502 10 0 DCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000245469768 287069881 /nfs/dbraw/zinc/06/98/81/287069881.db2.gz VPIHVTVWVYKHIO-CABCVRRESA-N 2 1 324.469 0.387 10 0 DCAEMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333611149 415695817 /nfs/dbraw/zinc/69/58/17/415695817.db2.gz QORXESRVDBTXOT-ILXRZTDVSA-N 2 1 312.458 0.329 10 0 DCAEMP C[N@H+]1CCN(CCNC(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000333810503 415744288 /nfs/dbraw/zinc/74/42/88/415744288.db2.gz POOVKPXGPNEXJX-AWEZNQCLSA-N 2 1 311.474 0.454 10 0 DCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000174623578 416080948 /nfs/dbraw/zinc/08/09/48/416080948.db2.gz HNEJYENOJPFXLD-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@H+](C)CCOC ZINC000174623578 416080951 /nfs/dbraw/zinc/08/09/51/416080951.db2.gz HNEJYENOJPFXLD-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NCC[N@@H+](C)CCOC ZINC000174623578 416080954 /nfs/dbraw/zinc/08/09/54/416080954.db2.gz HNEJYENOJPFXLD-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP O=C(CCCC[NH+]1CCOCC1)NCCNc1cc[nH+]cc1 ZINC000359259464 416318274 /nfs/dbraw/zinc/31/82/74/416318274.db2.gz BQESSKSLBNSKSS-UHFFFAOYSA-N 2 1 306.410 0.534 10 0 DCAEMP COC(=O)[C@H](C1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000359584307 416352138 /nfs/dbraw/zinc/35/21/38/416352138.db2.gz ACZAMOWXHHSVDF-AWEZNQCLSA-N 2 1 311.426 0.328 10 0 DCAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000237953897 416329317 /nfs/dbraw/zinc/32/93/17/416329317.db2.gz DWHHYEREKXRLMX-LSDHHAIUSA-N 2 1 322.453 0.271 10 0 DCAEMP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000237953897 416329318 /nfs/dbraw/zinc/32/93/18/416329318.db2.gz DWHHYEREKXRLMX-LSDHHAIUSA-N 2 1 322.453 0.271 10 0 DCAEMP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638447757 417462592 /nfs/dbraw/zinc/46/25/92/417462592.db2.gz HXRAKAWJXKLNKN-RDJZCZTQSA-N 2 1 317.433 0.955 10 0 DCAEMP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@H+]1Cc1ccccc1 ZINC000638447757 417462597 /nfs/dbraw/zinc/46/25/97/417462597.db2.gz HXRAKAWJXKLNKN-RDJZCZTQSA-N 2 1 317.433 0.955 10 0 DCAEMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000638802729 417562102 /nfs/dbraw/zinc/56/21/02/417562102.db2.gz BZAZVWGEKGDMLI-DLBZAZTESA-N 2 1 317.433 0.861 10 0 DCAEMP C[C@@H]1C[N@H+](CCN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000192737069 288171732 /nfs/dbraw/zinc/17/17/32/288171732.db2.gz LASBGODDFJEBNA-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[N@@H+](CCN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000192737069 288171735 /nfs/dbraw/zinc/17/17/35/288171735.db2.gz LASBGODDFJEBNA-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[NH+](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000192737069 288171739 /nfs/dbraw/zinc/17/17/39/288171739.db2.gz LASBGODDFJEBNA-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[NH+](CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000192737069 288171741 /nfs/dbraw/zinc/17/17/41/288171741.db2.gz LASBGODDFJEBNA-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H]1C[NH2+]CCN1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000333485085 288317088 /nfs/dbraw/zinc/31/70/88/288317088.db2.gz CNSUIMOQTRGBEG-WLYUNCDWSA-N 2 1 309.458 0.206 10 0 DCAEMP C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CCCC2)CCO1 ZINC000117046377 289198154 /nfs/dbraw/zinc/19/81/54/289198154.db2.gz KVANUWLZZMLTTP-OAHLLOKOSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000246302434 524795025 /nfs/dbraw/zinc/79/50/25/524795025.db2.gz QDDACOSFMHXEFL-HZSPNIEDSA-N 2 1 313.467 0.261 10 0 DCAEMP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000328626908 528988636 /nfs/dbraw/zinc/98/86/36/528988636.db2.gz FPHZUFOXFGPWJH-HNNXBMFYSA-N 2 1 319.453 0.823 10 0 DCAEMP COCC1(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC[NH2+]CC1 ZINC000333634326 546087913 /nfs/dbraw/zinc/08/79/13/546087913.db2.gz HDKUBSYKUIUXQC-AWEZNQCLSA-N 2 1 316.421 0.346 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000702432250 666956342 /nfs/dbraw/zinc/95/63/42/666956342.db2.gz VOYMYBPHBVTMNL-HOTGVXAUSA-N 2 1 304.438 0.656 10 0 DCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000251739099 685185586 /nfs/dbraw/zinc/18/55/86/685185586.db2.gz KTAFKISHSBFVTH-HZSPNIEDSA-N 2 1 301.456 0.627 10 0 DCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000251739099 685185589 /nfs/dbraw/zinc/18/55/89/685185589.db2.gz KTAFKISHSBFVTH-HZSPNIEDSA-N 2 1 301.456 0.627 10 0 DCAEMP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCSCC1 ZINC000154018427 291210248 /nfs/dbraw/zinc/21/02/48/291210248.db2.gz JAXBOJJQGVJFLX-KBPBESRZSA-N 2 1 315.483 0.387 10 0 DCAEMP CCN(C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000262103595 284375949 /nfs/dbraw/zinc/37/59/49/284375949.db2.gz VUQMOWGNOPVZMX-CQSZACIVSA-N 2 1 303.472 0.732 10 0 DCAEMP CC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000111790269 395813371 /nfs/dbraw/zinc/81/33/71/395813371.db2.gz MVJSOXSDFSRXOM-CQSZACIVSA-N 2 1 300.447 0.738 10 0 DCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247309317 395971410 /nfs/dbraw/zinc/97/14/10/395971410.db2.gz NXQDKLBXTFTMLT-BZUAXINKSA-N 2 1 323.485 0.500 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000262292008 396119189 /nfs/dbraw/zinc/11/91/89/396119189.db2.gz OUHROPWVMSUELU-HRCADAONSA-N 2 1 303.406 0.348 10 0 DCAEMP Cc1[nH+]ccn1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000262507647 396148070 /nfs/dbraw/zinc/14/80/70/396148070.db2.gz MQGPASMDRBMECS-WOSRLPQWSA-N 2 1 306.410 0.840 10 0 DCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000262572388 396156683 /nfs/dbraw/zinc/15/66/83/396156683.db2.gz XPTMFVOLYKRTID-XJIUQZFPSA-N 2 1 309.454 0.977 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)C ZINC000186140916 396342774 /nfs/dbraw/zinc/34/27/74/396342774.db2.gz UYDABBGONWJUAV-CQSZACIVSA-N 2 1 300.447 0.690 10 0 DCAEMP CSC[C@@H](O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000188091981 396379302 /nfs/dbraw/zinc/37/93/02/396379302.db2.gz JNXYRLCYBMAUOM-GJZGRUSLSA-N 2 1 301.500 0.812 10 0 DCAEMP CSC[C@@H](O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000188091981 396379305 /nfs/dbraw/zinc/37/93/05/396379305.db2.gz JNXYRLCYBMAUOM-GJZGRUSLSA-N 2 1 301.500 0.812 10 0 DCAEMP C[N@H+](CCCN1C(=O)CNC1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328635825 396829429 /nfs/dbraw/zinc/82/94/29/396829429.db2.gz NQIJQZCNFNIOGK-LBPRGKRZSA-N 2 1 305.382 0.524 10 0 DCAEMP C[N@@H+](CCCN1C(=O)CNC1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328635825 396829432 /nfs/dbraw/zinc/82/94/32/396829432.db2.gz NQIJQZCNFNIOGK-LBPRGKRZSA-N 2 1 305.382 0.524 10 0 DCAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070318 158341511 /nfs/dbraw/zinc/34/15/11/158341511.db2.gz SWWQHLHPAQLYCZ-MRXNPFEDSA-N 2 1 308.470 0.711 10 0 DCAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000136070318 158341512 /nfs/dbraw/zinc/34/15/12/158341512.db2.gz SWWQHLHPAQLYCZ-MRXNPFEDSA-N 2 1 308.470 0.711 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COC[C@H]2CCCO2)CC[N@@H+]1C ZINC000247404746 287093737 /nfs/dbraw/zinc/09/37/37/287093737.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COC[C@H]2CCCO2)CC[N@H+]1C ZINC000247404746 287093739 /nfs/dbraw/zinc/09/37/39/287093739.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)CC[NH+]1C ZINC000247404746 287093740 /nfs/dbraw/zinc/09/37/40/287093740.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COC[C@H]2CCCO2)CC[NH+]1C ZINC000247404746 287093742 /nfs/dbraw/zinc/09/37/42/287093742.db2.gz XXZVDQKLAMLEMC-KLHDSHLOSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799378 415532509 /nfs/dbraw/zinc/53/25/09/415532509.db2.gz MCWPVRCDUQEYQH-RQJABVFESA-N 2 1 303.472 0.729 10 0 DCAEMP C[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333616856 415698820 /nfs/dbraw/zinc/69/88/20/415698820.db2.gz REPCNJKZFFPOPI-VRKREXBASA-N 2 1 324.469 0.614 10 0 DCAEMP C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000175620702 416110807 /nfs/dbraw/zinc/11/08/07/416110807.db2.gz UCUJITTVKMQCLC-UKRRQHHQSA-N 2 1 310.442 0.443 10 0 DCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C[C@H]([NH3+])c2ccccc2)cn1 ZINC000181400463 416206528 /nfs/dbraw/zinc/20/65/28/416206528.db2.gz IZIAFWILOLWVQL-HOTGVXAUSA-N 2 1 313.405 0.983 10 0 DCAEMP COCC[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000261634000 416335682 /nfs/dbraw/zinc/33/56/82/416335682.db2.gz CJECHFZIPCIBFR-QGZVFWFLSA-N 2 1 317.433 0.882 10 0 DCAEMP COCC[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000261634000 416335683 /nfs/dbraw/zinc/33/56/83/416335683.db2.gz CJECHFZIPCIBFR-QGZVFWFLSA-N 2 1 317.433 0.882 10 0 DCAEMP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638274376 417399784 /nfs/dbraw/zinc/39/97/84/417399784.db2.gz HTQJKUPGKYBKJB-CVEARBPZSA-N 2 1 304.438 0.608 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H]1C ZINC000342084246 278291891 /nfs/dbraw/zinc/29/18/91/278291891.db2.gz BDJVEVIUTPOJSC-LXTVHRRPSA-N 2 1 312.458 0.566 10 0 DCAEMP CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333889028 289153003 /nfs/dbraw/zinc/15/30/03/289153003.db2.gz GMVGSMKYMRTPHH-OAHLLOKOSA-N 2 1 311.474 0.454 10 0 DCAEMP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1)C1CC[NH2+]CC1 ZINC000181393982 289417185 /nfs/dbraw/zinc/41/71/85/289417185.db2.gz VJCBRSFNQHUDPU-CZUORRHYSA-N 2 1 319.453 0.919 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H](C)C1 ZINC000249003846 521718890 /nfs/dbraw/zinc/71/88/90/521718890.db2.gz RSZJBRKFJFQFGB-FZMZJTMJSA-N 2 1 305.426 0.858 10 0 DCAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCn3nc4ccccn4c3=O)C[C@@H]21 ZINC000262353698 657740992 /nfs/dbraw/zinc/74/09/92/657740992.db2.gz VPKPGFUQOPZBAZ-MELADBBJSA-N 2 1 301.394 0.555 10 0 DCAEMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000261841401 661744769 /nfs/dbraw/zinc/74/47/69/661744769.db2.gz AJKIMEYMRPNRAB-TUVASFSCSA-N 2 1 305.426 0.648 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000900605144 663260174 /nfs/dbraw/zinc/26/01/74/663260174.db2.gz VUVNNDIWJJLSSZ-HUUCEWRRSA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000900605144 663260175 /nfs/dbraw/zinc/26/01/75/663260175.db2.gz VUVNNDIWJJLSSZ-HUUCEWRRSA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000900605144 663260177 /nfs/dbraw/zinc/26/01/77/663260177.db2.gz VUVNNDIWJJLSSZ-HUUCEWRRSA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000900605144 663260178 /nfs/dbraw/zinc/26/01/78/663260178.db2.gz VUVNNDIWJJLSSZ-HUUCEWRRSA-N 2 1 323.437 0.568 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720793983 685314246 /nfs/dbraw/zinc/31/42/46/685314246.db2.gz LPVPXDCOIPVTIU-ZJUUUORDSA-N 2 1 317.377 0.337 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720793983 685314251 /nfs/dbraw/zinc/31/42/51/685314251.db2.gz LPVPXDCOIPVTIU-ZJUUUORDSA-N 2 1 317.377 0.337 10 0 DCAEMP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000187952991 237365887 /nfs/dbraw/zinc/36/58/87/237365887.db2.gz QTMFFHGARAFESQ-OAHLLOKOSA-N 2 1 313.442 0.182 10 0 DCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCC[NH2+]CC1 ZINC000238130612 395922126 /nfs/dbraw/zinc/92/21/26/395922126.db2.gz SOJZBRLSPZKGQG-UHFFFAOYSA-N 2 1 316.449 0.626 10 0 DCAEMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247054248 395964817 /nfs/dbraw/zinc/96/48/17/395964817.db2.gz ZLKDMMXLUWMVEH-CGTJXYLNSA-N 2 1 323.481 0.628 10 0 DCAEMP 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/nfs/dbraw/zinc/17/40/90/396174090.db2.gz DWMQBEUOMZVRGJ-KBPBESRZSA-N 2 1 305.426 0.974 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000178296092 396193067 /nfs/dbraw/zinc/19/30/67/396193067.db2.gz XYQJAGRXFUMWLL-CYBMUJFWSA-N 2 1 305.382 0.598 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC000178296092 396193071 /nfs/dbraw/zinc/19/30/71/396193071.db2.gz XYQJAGRXFUMWLL-CYBMUJFWSA-N 2 1 305.382 0.598 10 0 DCAEMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184708561 396302893 /nfs/dbraw/zinc/30/28/93/396302893.db2.gz WPFOPOAVGMHBKD-UKRRQHHQSA-N 2 1 312.458 0.567 10 0 DCAEMP COC[C@H](C)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000187215280 396365351 /nfs/dbraw/zinc/36/53/51/396365351.db2.gz XLYVADKZJPVUBC-SJORKVTESA-N 2 1 313.486 0.996 10 0 DCAEMP C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CC[C@@H]21 ZINC000189732724 396398475 /nfs/dbraw/zinc/39/84/75/396398475.db2.gz NACVNLXDGONSHW-CABCVRRESA-N 2 1 315.483 0.828 10 0 DCAEMP OC(C[NH+]1CC[C@H]2OCC[C@H]2C1)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000366791349 397393298 /nfs/dbraw/zinc/39/32/98/397393298.db2.gz RSDAXRHZFNQEFB-XJNFMUPTSA-N 2 1 310.438 0.569 10 0 DCAEMP CC[NH+](CC)CC1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000608401173 397728474 /nfs/dbraw/zinc/72/84/74/397728474.db2.gz CQAMNVPIUQMZLF-UHFFFAOYSA-N 2 1 310.486 0.814 10 0 DCAEMP CCOC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182624714 286171761 /nfs/dbraw/zinc/17/17/61/286171761.db2.gz SPCDBKPSBOZUQM-FCLJQHQZSA-N 2 1 311.470 0.627 10 0 DCAEMP COCC(C)(C)[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000076496260 158064455 /nfs/dbraw/zinc/06/44/55/158064455.db2.gz DVWQDFIXSJITFU-CQSZACIVSA-N 2 1 315.458 0.474 10 0 DCAEMP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000113576570 158149362 /nfs/dbraw/zinc/14/93/62/158149362.db2.gz UFMKLOZQKUCBRY-LSDHHAIUSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000113576570 158149363 /nfs/dbraw/zinc/14/93/63/158149363.db2.gz UFMKLOZQKUCBRY-LSDHHAIUSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@H+]1C1CC1 ZINC000129037147 158285266 /nfs/dbraw/zinc/28/52/66/158285266.db2.gz JCNHUCYHZRXOQL-UKRRQHHQSA-N 2 1 324.469 0.615 10 0 DCAEMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000170843506 158376927 /nfs/dbraw/zinc/37/69/27/158376927.db2.gz UMNLAFQQESANCF-HNNXBMFYSA-N 2 1 316.405 0.733 10 0 DCAEMP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000170843506 158376928 /nfs/dbraw/zinc/37/69/28/158376928.db2.gz UMNLAFQQESANCF-HNNXBMFYSA-N 2 1 316.405 0.733 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000245809914 287073207 /nfs/dbraw/zinc/07/32/07/287073207.db2.gz OMMMHIQXPNSHIL-IAGOWNOFSA-N 2 1 321.469 0.346 10 0 DCAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000245809914 287073212 /nfs/dbraw/zinc/07/32/12/287073212.db2.gz OMMMHIQXPNSHIL-IAGOWNOFSA-N 2 1 321.469 0.346 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000245809914 287073214 /nfs/dbraw/zinc/07/32/14/287073214.db2.gz OMMMHIQXPNSHIL-IAGOWNOFSA-N 2 1 321.469 0.346 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000247046735 287090606 /nfs/dbraw/zinc/09/06/06/287090606.db2.gz NZTBLUMQDARDNP-HOCLYGCPSA-N 2 1 324.469 0.339 10 0 DCAEMP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000333390779 415635693 /nfs/dbraw/zinc/63/56/93/415635693.db2.gz OTLDGIZASKFXLS-LSDHHAIUSA-N 2 1 311.474 0.311 10 0 DCAEMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333758277 415732621 /nfs/dbraw/zinc/73/26/21/415732621.db2.gz ADJIWQMRNICSHZ-HUUCEWRRSA-N 2 1 311.474 0.454 10 0 DCAEMP C[C@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000333840264 415748241 /nfs/dbraw/zinc/74/82/41/415748241.db2.gz ODKBLMPRRKGAHV-KBPBESRZSA-N 2 1 312.458 0.615 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1CC ZINC000168090912 416025200 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C[C@H]1CN(CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000192737080 416310481 /nfs/dbraw/zinc/31/04/81/416310481.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[N@H+](CCN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000192737080 416310486 /nfs/dbraw/zinc/31/04/86/416310486.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[N@@H+](CCN2CCN(C[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000192737080 416310487 /nfs/dbraw/zinc/31/04/87/416310487.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[NH+](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCO1 ZINC000192737080 416310491 /nfs/dbraw/zinc/31/04/91/416310491.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[NH+](CCN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCO1 ZINC000192737080 416310494 /nfs/dbraw/zinc/31/04/94/416310494.db2.gz LASBGODDFJEBNA-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261696248 416335531 /nfs/dbraw/zinc/33/55/31/416335531.db2.gz JQDZIWGWTQMNPR-GXTWGEPZSA-N 2 1 318.425 0.511 10 0 DCAEMP CN1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000261938943 416335951 /nfs/dbraw/zinc/33/59/51/416335951.db2.gz KZFCZTLKUADQEP-OAGGEKHMSA-N 2 1 308.470 0.661 10 0 DCAEMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CCO ZINC000187254966 261122794 /nfs/dbraw/zinc/12/27/94/261122794.db2.gz MXEZJFRETBBBCY-AWEZNQCLSA-N 2 1 305.422 0.887 10 0 DCAEMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1CCO ZINC000187254966 261122796 /nfs/dbraw/zinc/12/27/96/261122796.db2.gz MXEZJFRETBBBCY-AWEZNQCLSA-N 2 1 305.422 0.887 10 0 DCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333483705 279116962 /nfs/dbraw/zinc/11/69/62/279116962.db2.gz CJYJTOPWOBTYBI-LJISPDSOSA-N 2 1 310.442 0.632 10 0 DCAEMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC000551987769 288255504 /nfs/dbraw/zinc/25/55/04/288255504.db2.gz CTCDEYFLEFBEDL-YUTCNCBUSA-N 2 1 304.394 0.761 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000333758253 546091041 /nfs/dbraw/zinc/09/10/41/546091041.db2.gz ADGHNXRFPCSMFI-KLHDSHLOSA-N 2 1 324.469 0.879 10 0 DCAEMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnnn3C)C2)[C@H]1C(C)C ZINC000888097300 661176551 /nfs/dbraw/zinc/17/65/51/661176551.db2.gz HCWGWTZUZRMNHI-KLHDSHLOSA-N 2 1 307.442 0.775 10 0 DCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702396594 666949558 /nfs/dbraw/zinc/94/95/58/666949558.db2.gz GOTLXFWTFQYZIV-RDJZCZTQSA-N 2 1 318.465 0.998 10 0 DCAEMP O=S(=O)(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000405103822 774151130 /nfs/dbraw/zinc/15/11/30/774151130.db2.gz AHCMAIXWZWBWNU-OAHLLOKOSA-N 2 1 323.462 0.932 10 0 DCAEMP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302013591 530053157 /nfs/dbraw/zinc/05/31/57/530053157.db2.gz DNDDHDUYDJQTNM-AWEZNQCLSA-N 2 1 317.437 0.787 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302013591 530053158 /nfs/dbraw/zinc/05/31/58/530053158.db2.gz DNDDHDUYDJQTNM-AWEZNQCLSA-N 2 1 317.437 0.787 10 0 DCAEMP CC(=O)N[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154295009 291212705 /nfs/dbraw/zinc/21/27/05/291212705.db2.gz KTFPXJRCQJVVSW-NTQSIJHJSA-N 2 1 322.453 0.280 10 0 DCAEMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237131880 395903568 /nfs/dbraw/zinc/90/35/68/395903568.db2.gz NXULYRSCDQHTRK-QEJZJMRPSA-N 2 1 322.453 0.234 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246864898 395959720 /nfs/dbraw/zinc/95/97/20/395959720.db2.gz PUMURBLSIDVRSL-OIISXLGYSA-N 2 1 321.465 0.918 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246864898 395959724 /nfs/dbraw/zinc/95/97/24/395959724.db2.gz PUMURBLSIDVRSL-OIISXLGYSA-N 2 1 321.465 0.918 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246864898 395959728 /nfs/dbraw/zinc/95/97/28/395959728.db2.gz PUMURBLSIDVRSL-OIISXLGYSA-N 2 1 321.465 0.918 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247649859 395977195 /nfs/dbraw/zinc/97/71/95/395977195.db2.gz WLCAHEYQJVKAIQ-JKSUJKDBSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247649859 395977197 /nfs/dbraw/zinc/97/71/97/395977197.db2.gz WLCAHEYQJVKAIQ-JKSUJKDBSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247649859 395977199 /nfs/dbraw/zinc/97/71/99/395977199.db2.gz WLCAHEYQJVKAIQ-JKSUJKDBSA-N 2 1 324.469 0.833 10 0 DCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000274820444 395978993 /nfs/dbraw/zinc/97/89/93/395978993.db2.gz JPDGYKSSIDPMQE-OCCSQVGLSA-N 2 1 304.394 0.682 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000274820444 395978994 /nfs/dbraw/zinc/97/89/94/395978994.db2.gz JPDGYKSSIDPMQE-OCCSQVGLSA-N 2 1 304.394 0.682 10 0 DCAEMP CSC[C@H](O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000249439566 396008433 /nfs/dbraw/zinc/00/84/33/396008433.db2.gz JNXYRLCYBMAUOM-LSDHHAIUSA-N 2 1 301.500 0.812 10 0 DCAEMP CSC[C@H](O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000249439566 396008436 /nfs/dbraw/zinc/00/84/36/396008436.db2.gz JNXYRLCYBMAUOM-LSDHHAIUSA-N 2 1 301.500 0.812 10 0 DCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C[NH3+])OC ZINC000262067625 396095130 /nfs/dbraw/zinc/09/51/30/396095130.db2.gz WOJFFADNSXMQSB-OCCSQVGLSA-N 2 1 307.394 0.532 10 0 DCAEMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262175598 396107136 /nfs/dbraw/zinc/10/71/36/396107136.db2.gz ICWZSYZHNWORIS-OKILXGFUSA-N 2 1 322.457 0.519 10 0 DCAEMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262175598 396107139 /nfs/dbraw/zinc/10/71/39/396107139.db2.gz ICWZSYZHNWORIS-OKILXGFUSA-N 2 1 322.457 0.519 10 0 DCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261950326 396083463 /nfs/dbraw/zinc/08/34/63/396083463.db2.gz LMRXJNGGZCSXCJ-UKRRQHHQSA-N 2 1 305.378 0.157 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935491 396311606 /nfs/dbraw/zinc/31/16/06/396311606.db2.gz NDCZPXPKVBVHIA-LSDHHAIUSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000184935491 396311609 /nfs/dbraw/zinc/31/16/09/396311609.db2.gz NDCZPXPKVBVHIA-LSDHHAIUSA-N 2 1 312.458 0.569 10 0 DCAEMP CCN1CC[NH+](CCC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186539195 396352159 /nfs/dbraw/zinc/35/21/59/396352159.db2.gz YAPFFASEMUEJSZ-HNNXBMFYSA-N 2 1 308.470 0.757 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948904 397004326 /nfs/dbraw/zinc/00/43/26/397004326.db2.gz FTJSSEBVAZNVHP-UONOGXRCSA-N 2 1 322.453 0.282 10 0 DCAEMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000133444330 158319503 /nfs/dbraw/zinc/31/95/03/158319503.db2.gz FAPXUORFZOBBMB-AWEZNQCLSA-N 2 1 314.455 0.985 10 0 DCAEMP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000133444330 158319507 /nfs/dbraw/zinc/31/95/07/158319507.db2.gz FAPXUORFZOBBMB-AWEZNQCLSA-N 2 1 314.455 0.985 10 0 DCAEMP CC(C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171899959 158387836 /nfs/dbraw/zinc/38/78/36/158387836.db2.gz TUOFKBRPNRTIEK-CVEARBPZSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171899959 158387838 /nfs/dbraw/zinc/38/78/38/158387838.db2.gz TUOFKBRPNRTIEK-CVEARBPZSA-N 2 1 324.469 0.833 10 0 DCAEMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262113484 158774454 /nfs/dbraw/zinc/77/44/54/158774454.db2.gz KUKIECGCASIPAR-UKRRQHHQSA-N 2 1 324.425 0.121 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262634581 158831189 /nfs/dbraw/zinc/83/11/89/158831189.db2.gz HRXJHQKIEOJCAP-QWHCGFSZSA-N 2 1 310.442 0.221 10 0 DCAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757704 287036135 /nfs/dbraw/zinc/03/61/35/287036135.db2.gz ROUZUDNXANSHKA-ZIAGYGMSSA-N 2 1 305.488 0.978 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757704 287036137 /nfs/dbraw/zinc/03/61/37/287036137.db2.gz ROUZUDNXANSHKA-ZIAGYGMSSA-N 2 1 305.488 0.978 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757704 287036140 /nfs/dbraw/zinc/03/61/40/287036140.db2.gz ROUZUDNXANSHKA-ZIAGYGMSSA-N 2 1 305.488 0.978 10 0 DCAEMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000247292628 287092749 /nfs/dbraw/zinc/09/27/49/287092749.db2.gz KWQBCYIBYSNVMW-RBSFLKMASA-N 2 1 324.469 0.241 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247197184 287091868 /nfs/dbraw/zinc/09/18/68/287091868.db2.gz WXKSPOBDAJHBPP-HZPDHXFCSA-N 2 1 324.469 0.834 10 0 DCAEMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000262100703 287150862 /nfs/dbraw/zinc/15/08/62/287150862.db2.gz UYOLDPRRMAOWRD-YUELXQCFSA-N 2 1 313.442 0.044 10 0 DCAEMP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353442947 415547041 /nfs/dbraw/zinc/54/70/41/415547041.db2.gz DOJFFEWVTZROKS-GVDBMIGSSA-N 2 1 308.470 0.613 10 0 DCAEMP CC(C)[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000333345776 415619347 /nfs/dbraw/zinc/61/93/47/415619347.db2.gz ZFACPTLMHCKHKD-HNNXBMFYSA-N 2 1 324.469 0.881 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1CC(C)(C)O ZINC000333840266 415747434 /nfs/dbraw/zinc/74/74/34/415747434.db2.gz ODKBLMPRRKGAHV-KGLIPLIRSA-N 2 1 312.458 0.615 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)NCC2CCC2)CC1 ZINC000171746278 416040926 /nfs/dbraw/zinc/04/09/26/416040926.db2.gz HJDVCOJVGBKTQY-CQSZACIVSA-N 2 1 311.470 0.927 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175273754 416101183 /nfs/dbraw/zinc/10/11/83/416101183.db2.gz KIRVYFFOIPDAMW-CQSZACIVSA-N 2 1 300.447 0.738 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000180988963 416202160 /nfs/dbraw/zinc/20/21/60/416202160.db2.gz OSKZEJWDPQUJBX-QGZVFWFLSA-N 2 1 324.469 0.625 10 0 DCAEMP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000535260887 416519539 /nfs/dbraw/zinc/51/95/39/416519539.db2.gz HYSQPENNROJVSG-CABCVRRESA-N 2 1 303.410 0.841 10 0 DCAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029797 417131541 /nfs/dbraw/zinc/13/15/41/417131541.db2.gz JGPLVSYNJXJHBM-RBSFLKMASA-N 2 1 319.453 0.679 10 0 DCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029797 417131546 /nfs/dbraw/zinc/13/15/46/417131546.db2.gz JGPLVSYNJXJHBM-RBSFLKMASA-N 2 1 319.453 0.679 10 0 DCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000638833722 417566196 /nfs/dbraw/zinc/56/61/96/417566196.db2.gz BMYVCUDAFOQFAH-OIISXLGYSA-N 2 1 317.433 0.859 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000638833722 417566202 /nfs/dbraw/zinc/56/62/02/417566202.db2.gz BMYVCUDAFOQFAH-OIISXLGYSA-N 2 1 317.433 0.859 10 0 DCAEMP C[NH+]1CCC(CC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000362715593 262063851 /nfs/dbraw/zinc/06/38/51/262063851.db2.gz LCRKYCYINYYPGV-HNNXBMFYSA-N 2 1 324.469 0.422 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000358661129 271065180 /nfs/dbraw/zinc/06/51/80/271065180.db2.gz HRCJCTDCYQCPEH-UHFFFAOYSA-N 2 1 324.469 0.737 10 0 DCAEMP CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(N(C)C)[nH+]c2c1CCCC2 ZINC000091255075 273953192 /nfs/dbraw/zinc/95/31/92/273953192.db2.gz IMLIFHYVYBINSS-MFKMUULPSA-N 2 1 318.425 0.073 10 0 DCAEMP CC1=CC[NH+](CCNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000547272634 288035354 /nfs/dbraw/zinc/03/53/54/288035354.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 1 309.458 0.183 10 0 DCAEMP CC1=CC[N@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000547272634 288035355 /nfs/dbraw/zinc/03/53/55/288035355.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 1 309.458 0.183 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000547272634 288035357 /nfs/dbraw/zinc/03/53/57/288035357.db2.gz QIKTWELERMOFJN-HNNXBMFYSA-N 2 1 309.458 0.183 10 0 DCAEMP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000262100694 280366055 /nfs/dbraw/zinc/36/60/55/280366055.db2.gz UYOLDPRRMAOWRD-CFVMTHIKSA-N 2 1 313.442 0.044 10 0 DCAEMP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cn1 ZINC000262403577 294300935 /nfs/dbraw/zinc/30/09/35/294300935.db2.gz YUMBXJMQOJOXBK-XHSDSOJGSA-N 2 1 317.437 0.420 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262085434 545978835 /nfs/dbraw/zinc/97/88/35/545978835.db2.gz FVTOZGRLLUJPNS-DJIMGWMZSA-N 2 1 306.406 0.914 10 0 DCAEMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000261841397 661744541 /nfs/dbraw/zinc/74/45/41/661744541.db2.gz AJKIMEYMRPNRAB-LXTVHRRPSA-N 2 1 305.426 0.648 10 0 DCAEMP [NH3+]C1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCOCC1 ZINC000261889317 661797323 /nfs/dbraw/zinc/79/73/23/661797323.db2.gz QHKSIOJMHMCJPP-UHFFFAOYSA-N 2 1 323.462 0.943 10 0 DCAEMP CC[NH+](CC)CC1CC[NH+](CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000738071209 662105511 /nfs/dbraw/zinc/10/55/11/662105511.db2.gz OSGRQLSQWIYPEC-UHFFFAOYSA-N 2 1 310.398 0.418 10 0 DCAEMP COC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702069149 666909506 /nfs/dbraw/zinc/90/95/06/666909506.db2.gz HLMDTVUEDWTYQQ-XYJFISCASA-N 2 1 317.433 0.941 10 0 DCAEMP C[N@@H+]1CC[C@](O)(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711406799 667462920 /nfs/dbraw/zinc/46/29/20/667462920.db2.gz MDCQXFIAXLDFJC-ZENOOKHLSA-N 2 1 313.442 0.946 10 0 DCAEMP C[N@H+]1CC[C@](O)(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000711406799 667462921 /nfs/dbraw/zinc/46/29/21/667462921.db2.gz MDCQXFIAXLDFJC-ZENOOKHLSA-N 2 1 313.442 0.946 10 0 DCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251739115 685185720 /nfs/dbraw/zinc/18/57/20/685185720.db2.gz KTAFKISHSBFVTH-RDBSUJKOSA-N 2 1 301.456 0.627 10 0 DCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251739115 685185722 /nfs/dbraw/zinc/18/57/22/685185722.db2.gz KTAFKISHSBFVTH-RDBSUJKOSA-N 2 1 301.456 0.627 10 0 DCAEMP Nc1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000397554974 1190703581 /nfs/dbraw/zinc/70/35/81/1190703581.db2.gz KWALJLQAUUXMGY-UHFFFAOYSA-N 2 1 313.405 0.750 10 0 DCAEMP C[N@H+]1CC2(C[C@H]1C(=O)NCCCn1ccnc1)CC[NH2+]CC2 ZINC000072424816 191159414 /nfs/dbraw/zinc/15/94/14/191159414.db2.gz ISKRRNZOCAMKAH-AWEZNQCLSA-N 2 1 305.426 0.463 10 0 DCAEMP CC[NH2+]CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000236907466 202064852 /nfs/dbraw/zinc/06/48/52/202064852.db2.gz BLURREQPSWLFCM-UHFFFAOYSA-N 2 1 304.438 0.530 10 0 DCAEMP CC(C)OCC[NH+]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333769295 252762391 /nfs/dbraw/zinc/76/23/91/252762391.db2.gz BTNCJXKYNCYPEQ-OAHLLOKOSA-N 2 1 312.458 0.881 10 0 DCAEMP C[NH2+]CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000237301566 395909631 /nfs/dbraw/zinc/90/96/31/395909631.db2.gz BSQASNGSSAONAJ-UHFFFAOYSA-N 2 1 304.394 0.161 10 0 DCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC000246253140 395945012 /nfs/dbraw/zinc/94/50/12/395945012.db2.gz PPQLSULVYDFPCT-QLFBSQMISA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COC2CCOCC2)CC[N@H+]1C ZINC000246253140 395945017 /nfs/dbraw/zinc/94/50/17/395945017.db2.gz PPQLSULVYDFPCT-QLFBSQMISA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COC2CCOCC2)CC[NH+]1C ZINC000246253140 395945019 /nfs/dbraw/zinc/94/50/19/395945019.db2.gz PPQLSULVYDFPCT-QLFBSQMISA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COC2CCOCC2)CC[NH+]1C ZINC000246253140 395945023 /nfs/dbraw/zinc/94/50/23/395945023.db2.gz PPQLSULVYDFPCT-QLFBSQMISA-N 2 1 300.443 0.957 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248645442 395992047 /nfs/dbraw/zinc/99/20/47/395992047.db2.gz SHPDTQWELXWOHH-GJZGRUSLSA-N 2 1 314.474 0.815 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248645442 395992049 /nfs/dbraw/zinc/99/20/49/395992049.db2.gz SHPDTQWELXWOHH-GJZGRUSLSA-N 2 1 314.474 0.815 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248645442 395992053 /nfs/dbraw/zinc/99/20/53/395992053.db2.gz SHPDTQWELXWOHH-GJZGRUSLSA-N 2 1 314.474 0.815 10 0 DCAEMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261660677 396053105 /nfs/dbraw/zinc/05/31/05/396053105.db2.gz FSDVAUCYQNSXNN-VNHYZAJKSA-N 2 1 313.442 0.356 10 0 DCAEMP CSC[C@H](O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249439565 396008341 /nfs/dbraw/zinc/00/83/41/396008341.db2.gz JNXYRLCYBMAUOM-HUUCEWRRSA-N 2 1 301.500 0.812 10 0 DCAEMP CSC[C@H](O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000249439565 396008343 /nfs/dbraw/zinc/00/83/43/396008343.db2.gz JNXYRLCYBMAUOM-HUUCEWRRSA-N 2 1 301.500 0.812 10 0 DCAEMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000261989164 396087745 /nfs/dbraw/zinc/08/77/45/396087745.db2.gz CQVGPKGWZKNSQN-CQSZACIVSA-N 2 1 310.442 0.141 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000262071795 396096532 /nfs/dbraw/zinc/09/65/32/396096532.db2.gz GEWZSVRHRGJAOU-GUTXKFCHSA-N 2 1 310.442 0.171 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262096321 396099052 /nfs/dbraw/zinc/09/90/52/396099052.db2.gz DKSZRTOEWBSHIV-KFWWJZLASA-N 2 1 305.426 0.324 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262174911 396107349 /nfs/dbraw/zinc/10/73/49/396107349.db2.gz YTRJKDPNYRHISQ-GJZGRUSLSA-N 2 1 313.442 0.213 10 0 DCAEMP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1CCOC ZINC000262267832 396116620 /nfs/dbraw/zinc/11/66/20/396116620.db2.gz MRWGYEMTQMNUSW-AWEZNQCLSA-N 2 1 313.442 0.311 10 0 DCAEMP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1CCOC ZINC000262267832 396116622 /nfs/dbraw/zinc/11/66/22/396116622.db2.gz MRWGYEMTQMNUSW-AWEZNQCLSA-N 2 1 313.442 0.311 10 0 DCAEMP C[C@@H](C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262309254 396121298 /nfs/dbraw/zinc/12/12/98/396121298.db2.gz CSGLETYRSARVAC-CTASWTNQSA-N 2 1 309.454 0.942 10 0 DCAEMP C[C@@H](C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262309254 396121302 /nfs/dbraw/zinc/12/13/02/396121302.db2.gz CSGLETYRSARVAC-CTASWTNQSA-N 2 1 309.454 0.942 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262416009 396137505 /nfs/dbraw/zinc/13/75/05/396137505.db2.gz ZQCZQNBKFJNZIN-YESZJQIVSA-N 2 1 317.433 0.595 10 0 DCAEMP CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261894182 396076333 /nfs/dbraw/zinc/07/63/33/396076333.db2.gz GWNHETQGKVSZJO-XHSDSOJGSA-N 2 1 311.470 0.844 10 0 DCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000263243841 396208487 /nfs/dbraw/zinc/20/84/87/396208487.db2.gz PAPDTXFBAIDQDV-FZMZJTMJSA-N 2 1 307.785 0.591 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185188804 396320983 /nfs/dbraw/zinc/32/09/83/396320983.db2.gz UTHNMNCVMJSPJW-ZIAGYGMSSA-N 2 1 300.447 0.425 10 0 DCAEMP C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328626825 396825321 /nfs/dbraw/zinc/82/53/21/396825321.db2.gz FLUCUNAIQZWDDC-LBPRGKRZSA-N 2 1 305.382 0.176 10 0 DCAEMP C[N@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328626825 396825324 /nfs/dbraw/zinc/82/53/24/396825324.db2.gz FLUCUNAIQZWDDC-LBPRGKRZSA-N 2 1 305.382 0.176 10 0 DCAEMP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)CN1CC[NH+](C)CC1 ZINC000333390778 396923896 /nfs/dbraw/zinc/92/38/96/396923896.db2.gz OTLDGIZASKFXLS-HUUCEWRRSA-N 2 1 311.474 0.311 10 0 DCAEMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000121027772 158207014 /nfs/dbraw/zinc/20/70/14/158207014.db2.gz LFQOCJPLQOITLV-OAHLLOKOSA-N 2 1 319.453 0.948 10 0 DCAEMP Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N1CCN(C)CC1 ZINC000121027772 158207019 /nfs/dbraw/zinc/20/70/19/158207019.db2.gz LFQOCJPLQOITLV-OAHLLOKOSA-N 2 1 319.453 0.948 10 0 DCAEMP C[NH+](C)CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000127936070 158277266 /nfs/dbraw/zinc/27/72/66/158277266.db2.gz SRWMUNVKVFORSM-UHFFFAOYSA-N 2 1 304.438 0.482 10 0 DCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000172542777 158395781 /nfs/dbraw/zinc/39/57/81/158395781.db2.gz FPEWWLHQGVUPPK-OAHLLOKOSA-N 2 1 308.470 0.709 10 0 DCAEMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000172542777 158395782 /nfs/dbraw/zinc/39/57/82/158395782.db2.gz FPEWWLHQGVUPPK-OAHLLOKOSA-N 2 1 308.470 0.709 10 0 DCAEMP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)N1CCNCC1 ZINC000261832026 158744541 /nfs/dbraw/zinc/74/45/41/158744541.db2.gz BSWQEGDXAYJWEM-UHFFFAOYSA-N 2 1 308.470 0.616 10 0 DCAEMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C1(C)C[NH2+]C1 ZINC000333287472 415602270 /nfs/dbraw/zinc/60/22/70/415602270.db2.gz NSLLUQGBSXJAFN-DZGCQCFKSA-N 2 1 319.453 0.871 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000130582395 415921098 /nfs/dbraw/zinc/92/10/98/415921098.db2.gz OJJSDLMBCRJIRS-YCPHGPKFSA-N 2 1 324.469 0.758 10 0 DCAEMP COCC[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000176441144 416125086 /nfs/dbraw/zinc/12/50/86/416125086.db2.gz IOIHGOGQNWIIHW-GOOCMWNKSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH+](C)CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000176441144 416125089 /nfs/dbraw/zinc/12/50/89/416125089.db2.gz IOIHGOGQNWIIHW-GOOCMWNKSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261554764 416335520 /nfs/dbraw/zinc/33/55/20/416335520.db2.gz UMTHYCWPSXDGKL-MRXNPFEDSA-N 2 1 305.422 0.955 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000195178912 416325617 /nfs/dbraw/zinc/32/56/17/416325617.db2.gz HDAMRUSZHSJFIK-LLVKDONJSA-N 2 1 319.413 0.714 10 0 DCAEMP CC(C)CN1CCO[C@H](CNc2nc3c(cnn3C)c(N)n2)C1 ZINC000195178912 416325618 /nfs/dbraw/zinc/32/56/18/416325618.db2.gz HDAMRUSZHSJFIK-LLVKDONJSA-N 2 1 319.413 0.714 10 0 DCAEMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000448257130 417065943 /nfs/dbraw/zinc/06/59/43/417065943.db2.gz SIMBMISQBNFOGV-CQSZACIVSA-N 2 1 305.426 0.943 10 0 DCAEMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000448257130 417065946 /nfs/dbraw/zinc/06/59/46/417065946.db2.gz SIMBMISQBNFOGV-CQSZACIVSA-N 2 1 305.426 0.943 10 0 DCAEMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408071684 417136053 /nfs/dbraw/zinc/13/60/53/417136053.db2.gz OOQXAAWLIBSXPH-RDBSUJKOSA-N 2 1 303.472 0.921 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488720231 272048920 /nfs/dbraw/zinc/04/89/20/272048920.db2.gz PHLBBTNYUSHDHL-WCVJEAGWSA-N 2 1 300.443 0.408 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@@H]3CC[N@@H+](C)C[C@H]31)C2 ZINC000329747957 279161972 /nfs/dbraw/zinc/16/19/72/279161972.db2.gz ZRRAOWLAYKKWHV-NUEKZKHPSA-N 2 1 318.421 0.685 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@@H]3CC[N@H+](C)C[C@H]31)C2 ZINC000329747957 279161974 /nfs/dbraw/zinc/16/19/74/279161974.db2.gz ZRRAOWLAYKKWHV-NUEKZKHPSA-N 2 1 318.421 0.685 10 0 DCAEMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187298261 529088671 /nfs/dbraw/zinc/08/86/71/529088671.db2.gz VZIZIIXLSLYVAA-CABCVRRESA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000187298261 529088673 /nfs/dbraw/zinc/08/86/73/529088673.db2.gz VZIZIIXLSLYVAA-CABCVRRESA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000187298261 529088677 /nfs/dbraw/zinc/08/86/77/529088677.db2.gz VZIZIIXLSLYVAA-CABCVRRESA-N 2 1 312.458 0.737 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CCO1 ZINC000896415606 662269693 /nfs/dbraw/zinc/26/96/93/662269693.db2.gz MHERLZBWVYEJHO-SWLSCSKDSA-N 2 1 321.425 0.579 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CCO1 ZINC000896415606 662269695 /nfs/dbraw/zinc/26/96/95/662269695.db2.gz MHERLZBWVYEJHO-SWLSCSKDSA-N 2 1 321.425 0.579 10 0 DCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000262570218 662490100 /nfs/dbraw/zinc/49/01/00/662490100.db2.gz XKAMDYHNZWKCSC-OEUWWYETSA-N 2 1 307.438 0.826 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702397259 666949107 /nfs/dbraw/zinc/94/91/07/666949107.db2.gz LUIGPBPHKZLMMQ-VNQPRFMTSA-N 2 1 304.438 0.512 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709867101 667445839 /nfs/dbraw/zinc/44/58/39/667445839.db2.gz LPVPXDCOIPVTIU-NXEZZACHSA-N 2 1 317.377 0.337 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709867101 667445840 /nfs/dbraw/zinc/44/58/40/667445840.db2.gz LPVPXDCOIPVTIU-NXEZZACHSA-N 2 1 317.377 0.337 10 0 DCAEMP CCCS(=O)(=O)CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862674 672241460 /nfs/dbraw/zinc/24/14/60/672241460.db2.gz VRLFOWLQDIETDC-AWEZNQCLSA-N 2 1 320.499 0.836 10 0 DCAEMP C[C@@H](NS(=O)(=O)C1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405209215 774153706 /nfs/dbraw/zinc/15/37/06/774153706.db2.gz AYBLOKLJMPLHDX-UKRRQHHQSA-N 2 1 323.462 0.788 10 0 DCAEMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262519025 529861950 /nfs/dbraw/zinc/86/19/50/529861950.db2.gz NXULYRSCDQHTRK-CFVMTHIKSA-N 2 1 322.453 0.234 10 0 DCAEMP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)O1 ZINC000247973533 257113137 /nfs/dbraw/zinc/11/31/37/257113137.db2.gz IAAJAOXFYRHXGM-KFWWJZLASA-N 2 1 307.394 0.689 10 0 DCAEMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246483965 395950751 /nfs/dbraw/zinc/95/07/51/395950751.db2.gz OVFAOKZJTKYAHU-KFWWJZLASA-N 2 1 322.453 0.187 10 0 DCAEMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262013219 396089826 /nfs/dbraw/zinc/08/98/26/396089826.db2.gz VTKVORPXYNHMKN-XQLPTFJDSA-N 2 1 310.442 0.537 10 0 DCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000171078141 396105837 /nfs/dbraw/zinc/10/58/37/396105837.db2.gz 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CCC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000157859861 520582581 /nfs/dbraw/zinc/58/25/81/520582581.db2.gz MIIGKHBETGPXBJ-LSDHHAIUSA-N 2 1 324.469 0.482 10 0 DCAEMP CCC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000157859729 520972435 /nfs/dbraw/zinc/97/24/35/520972435.db2.gz MIIGKHBETGPXBJ-CABCVRRESA-N 2 1 324.469 0.482 10 0 DCAEMP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000262142501 545979563 /nfs/dbraw/zinc/97/95/63/545979563.db2.gz HHQAOWOJDVRCJX-YUTCNCBUSA-N 2 1 311.813 0.639 10 0 DCAEMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[N@@H+]1CCc2ccccc2C1 ZINC000262334661 545983604 /nfs/dbraw/zinc/98/36/04/545983604.db2.gz SNNUJOKVFHQGBU-UHOFOFEASA-N 2 1 303.406 0.130 10 0 DCAEMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[N@H+]1CCc2ccccc2C1 ZINC000262334661 545983611 /nfs/dbraw/zinc/98/36/11/545983611.db2.gz SNNUJOKVFHQGBU-UHOFOFEASA-N 2 1 303.406 0.130 10 0 DCAEMP O=C(CC[N@H+]1CCS[C@@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000721485392 657944875 /nfs/dbraw/zinc/94/48/75/657944875.db2.gz JPGJWTWDIGCSIJ-SNVBAGLBSA-N 2 1 311.373 0.788 10 0 DCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1C[NH3+] ZINC000251583879 665611865 /nfs/dbraw/zinc/61/18/65/665611865.db2.gz CMJLXTUCNXVJJG-MCIONIFRSA-N 2 1 303.472 0.575 10 0 DCAEMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000066245627 685065645 /nfs/dbraw/zinc/06/56/45/685065645.db2.gz ZBMWXSBUSXSCQE-GJZGRUSLSA-N 2 1 311.474 0.343 10 0 DCAEMP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCSCC1 ZINC000154018538 291210235 /nfs/dbraw/zinc/21/02/35/291210235.db2.gz JAXBOJJQGVJFLX-KGLIPLIRSA-N 2 1 315.483 0.387 10 0 DCAEMP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106529886 395782981 /nfs/dbraw/zinc/78/29/81/395782981.db2.gz NVJNQPGRFGGRQM-CABCVRRESA-N 2 1 313.490 0.652 10 0 DCAEMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000236629171 395895238 /nfs/dbraw/zinc/89/52/38/395895238.db2.gz XEYWBWAWTWATIY-HZPDHXFCSA-N 2 1 309.454 0.945 10 0 DCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237027790 395901262 /nfs/dbraw/zinc/90/12/62/395901262.db2.gz FXLSSNVRSQZLLN-LSDHHAIUSA-N 2 1 324.469 0.517 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237027790 395901265 /nfs/dbraw/zinc/90/12/65/395901265.db2.gz FXLSSNVRSQZLLN-LSDHHAIUSA-N 2 1 324.469 0.517 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCCC[C@H]2C1 ZINC000247597464 395976568 /nfs/dbraw/zinc/97/65/68/395976568.db2.gz SQAAFWPUKOXFFO-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247597464 395976569 /nfs/dbraw/zinc/97/65/69/395976569.db2.gz SQAAFWPUKOXFFO-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247597464 395976570 /nfs/dbraw/zinc/97/65/70/395976570.db2.gz SQAAFWPUKOXFFO-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000247649856 395977225 /nfs/dbraw/zinc/97/72/25/395977225.db2.gz WLCAHEYQJVKAIQ-HOTGVXAUSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000247649856 395977227 /nfs/dbraw/zinc/97/72/27/395977227.db2.gz WLCAHEYQJVKAIQ-HOTGVXAUSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000247649856 395977229 /nfs/dbraw/zinc/97/72/29/395977229.db2.gz WLCAHEYQJVKAIQ-HOTGVXAUSA-N 2 1 324.469 0.833 10 0 DCAEMP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984071 396087353 /nfs/dbraw/zinc/08/73/53/396087353.db2.gz JMMIQLFHQPPHFL-SWLSCSKDSA-N 2 1 307.398 0.701 10 0 DCAEMP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984071 396087354 /nfs/dbraw/zinc/08/73/54/396087354.db2.gz JMMIQLFHQPPHFL-SWLSCSKDSA-N 2 1 307.398 0.701 10 0 DCAEMP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000262119100 396101489 /nfs/dbraw/zinc/10/14/89/396101489.db2.gz FSWPGCLJJWUJQX-YUDUHTQSSA-N 2 1 317.437 0.465 10 0 DCAEMP C[C@@H]1C[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@H+]1C ZINC000262142326 396103736 /nfs/dbraw/zinc/10/37/36/396103736.db2.gz HFQYCNLUZBALRZ-HUUCEWRRSA-N 2 1 319.453 0.903 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262416001 396137535 /nfs/dbraw/zinc/13/75/35/396137535.db2.gz ZQCZQNBKFJNZIN-IKGGRYGDSA-N 2 1 317.433 0.595 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176098589 396149882 /nfs/dbraw/zinc/14/98/82/396149882.db2.gz YRUWDHOMCNSFRB-OAHLLOKOSA-N 2 1 323.441 0.944 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176098589 396149886 /nfs/dbraw/zinc/14/98/86/396149886.db2.gz YRUWDHOMCNSFRB-OAHLLOKOSA-N 2 1 323.441 0.944 10 0 DCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270661 396210038 /nfs/dbraw/zinc/21/00/38/396210038.db2.gz SDGMUVDVCPHOGP-ZBFHGGJFSA-N 2 1 304.369 0.740 10 0 DCAEMP CCOCCN1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C[C@@H]1CC ZINC000263279521 396211297 /nfs/dbraw/zinc/21/12/97/396211297.db2.gz UCQWMHLIRLPFPV-STQMWFEESA-N 2 1 319.396 0.943 10 0 DCAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000178313622 396193708 /nfs/dbraw/zinc/19/37/08/396193708.db2.gz MCBSGBMMQZHRQM-GJZGRUSLSA-N 2 1 306.410 0.951 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000178313622 396193715 /nfs/dbraw/zinc/19/37/15/396193715.db2.gz MCBSGBMMQZHRQM-GJZGRUSLSA-N 2 1 306.410 0.951 10 0 DCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263066521 396200118 /nfs/dbraw/zinc/20/01/18/396200118.db2.gz WAHZDDVDGJLHTP-YOEHRIQHSA-N 2 1 324.469 0.517 10 0 DCAEMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000183983547 396279946 /nfs/dbraw/zinc/27/99/46/396279946.db2.gz YGNFCXNNKXECRC-CYBMUJFWSA-N 2 1 306.410 0.724 10 0 DCAEMP CC(C)N1CC[NH+](CCCN2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000192736126 396436888 /nfs/dbraw/zinc/43/68/88/396436888.db2.gz DVIZCNXUISSNPC-KRWDZBQOSA-N 2 1 312.502 0.665 10 0 DCAEMP C[C@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000586756859 396662271 /nfs/dbraw/zinc/66/22/71/396662271.db2.gz NLWKOALCKIMWRN-CYBMUJFWSA-N 2 1 308.430 0.019 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948905 397004368 /nfs/dbraw/zinc/00/43/68/397004368.db2.gz FTJSSEBVAZNVHP-ZIAGYGMSSA-N 2 1 322.453 0.282 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000173504542 292336000 /nfs/dbraw/zinc/33/60/00/292336000.db2.gz NTKCJLGCHKUJNI-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000173504542 292336002 /nfs/dbraw/zinc/33/60/02/292336002.db2.gz NTKCJLGCHKUJNI-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000173504542 292336004 /nfs/dbraw/zinc/33/60/04/292336004.db2.gz NTKCJLGCHKUJNI-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC[C@@H](C)O)C1 ZINC000075781847 158063426 /nfs/dbraw/zinc/06/34/26/158063426.db2.gz IQRSGDLLVDSTNV-HUUCEWRRSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC[C@@H](C)O)C1 ZINC000075781847 158063427 /nfs/dbraw/zinc/06/34/27/158063427.db2.gz IQRSGDLLVDSTNV-HUUCEWRRSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC[C@@H](C)O)C1 ZINC000075781847 158063428 /nfs/dbraw/zinc/06/34/28/158063428.db2.gz IQRSGDLLVDSTNV-HUUCEWRRSA-N 2 1 315.458 0.162 10 0 DCAEMP Cc1[nH+]ccn1-c1cncc(N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000161985622 158358517 /nfs/dbraw/zinc/35/85/17/158358517.db2.gz VDKUJFFXDYUBTE-CYBMUJFWSA-N 2 1 302.382 0.738 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000168019329 158371293 /nfs/dbraw/zinc/37/12/93/158371293.db2.gz WZWNFOOTYDBKKY-AWEZNQCLSA-N 2 1 317.433 0.662 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C ZINC000168019329 158371294 /nfs/dbraw/zinc/37/12/94/158371294.db2.gz WZWNFOOTYDBKKY-AWEZNQCLSA-N 2 1 317.433 0.662 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171904765 158388463 /nfs/dbraw/zinc/38/84/63/158388463.db2.gz LYTBLVPBSGEJDH-HNNXBMFYSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC[C@H]2CCCO2)CC[N@@H+]1C ZINC000247405238 287093762 /nfs/dbraw/zinc/09/37/62/287093762.db2.gz XXZVDQKLAMLEMC-LVQVYYBASA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COC[C@H]2CCCO2)CC[N@H+]1C ZINC000247405238 287093763 /nfs/dbraw/zinc/09/37/63/287093763.db2.gz XXZVDQKLAMLEMC-LVQVYYBASA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC[C@H]2CCCO2)CC[NH+]1C ZINC000247405238 287093764 /nfs/dbraw/zinc/09/37/64/287093764.db2.gz XXZVDQKLAMLEMC-LVQVYYBASA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COC[C@H]2CCCO2)CC[NH+]1C ZINC000247405238 287093766 /nfs/dbraw/zinc/09/37/66/287093766.db2.gz XXZVDQKLAMLEMC-LVQVYYBASA-N 2 1 300.443 0.957 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000111867933 415701881 /nfs/dbraw/zinc/70/18/81/415701881.db2.gz SIYHOWKVFGCJLV-MRXNPFEDSA-N 2 1 324.469 0.834 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173985918 416070206 /nfs/dbraw/zinc/07/02/06/416070206.db2.gz JVZWFGAEKFOWFM-OAHLLOKOSA-N 2 1 310.442 0.610 10 0 DCAEMP C[C@@H](CN1CCOCC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182889253 416232887 /nfs/dbraw/zinc/23/28/87/416232887.db2.gz FHYOBYAQPASRBJ-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@@H](CN1CCOCC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182889253 416232890 /nfs/dbraw/zinc/23/28/90/416232890.db2.gz FHYOBYAQPASRBJ-ROUUACIJSA-N 2 1 324.513 0.809 10 0 DCAEMP CCCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000357973151 416163525 /nfs/dbraw/zinc/16/35/25/416163525.db2.gz KMFAEVCUTANZKO-UHFFFAOYSA-N 2 1 324.469 0.603 10 0 DCAEMP CCCC[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000357973151 416163530 /nfs/dbraw/zinc/16/35/30/416163530.db2.gz KMFAEVCUTANZKO-UHFFFAOYSA-N 2 1 324.469 0.603 10 0 DCAEMP CCCC[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000357973151 416163534 /nfs/dbraw/zinc/16/35/34/416163534.db2.gz KMFAEVCUTANZKO-UHFFFAOYSA-N 2 1 324.469 0.603 10 0 DCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000190683360 416280464 /nfs/dbraw/zinc/28/04/64/416280464.db2.gz GATSDPABCOLERS-OUCADQQQSA-N 2 1 303.472 0.586 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262264916 416336447 /nfs/dbraw/zinc/33/64/47/416336447.db2.gz MNLIXKHHSMVUFX-CQSZACIVSA-N 2 1 313.442 0.215 10 0 DCAEMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263286144 416337542 /nfs/dbraw/zinc/33/75/42/416337542.db2.gz VANDCXBASHLYFE-DZGCQCFKSA-N 2 1 301.394 0.554 10 0 DCAEMP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)C1=CC[N@@H+](C)CC1 ZINC000541893969 416617390 /nfs/dbraw/zinc/61/73/90/416617390.db2.gz SFWYJHWRUQLYQD-ZDUSSCGKSA-N 2 1 303.410 0.865 10 0 DCAEMP O=C([C@H]1C[NH2+]CCOC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000649268404 418215926 /nfs/dbraw/zinc/21/59/26/418215926.db2.gz BGUVQZRVUYFZTR-KRWDZBQOSA-N 2 1 317.433 0.957 10 0 DCAEMP C[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3C(N)=O)CC2)CCO1 ZINC000302020179 230040201 /nfs/dbraw/zinc/04/02/01/230040201.db2.gz HMXQJHCYXVMRTJ-GFCCVEGCSA-N 2 1 304.394 0.870 10 0 DCAEMP C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3C(N)=O)CC2)CCO1 ZINC000302020179 230040205 /nfs/dbraw/zinc/04/02/05/230040205.db2.gz HMXQJHCYXVMRTJ-GFCCVEGCSA-N 2 1 304.394 0.870 10 0 DCAEMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CCOC1 ZINC000363990448 262138319 /nfs/dbraw/zinc/13/83/19/262138319.db2.gz JBYLLDSNQAKRJN-AWEZNQCLSA-N 2 1 307.442 0.749 10 0 DCAEMP Cn1ccc(N2CCC[C@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n1 ZINC000193598462 277198726 /nfs/dbraw/zinc/19/87/26/277198726.db2.gz QLVHESCHOUOCSC-MJBXVCDLSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1ccc(N2CCC[C@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)n1 ZINC000193598462 277198727 /nfs/dbraw/zinc/19/87/27/277198727.db2.gz QLVHESCHOUOCSC-MJBXVCDLSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)n1 ZINC000193598462 277198728 /nfs/dbraw/zinc/19/87/28/277198728.db2.gz QLVHESCHOUOCSC-MJBXVCDLSA-N 2 1 303.410 0.409 10 0 DCAEMP Cn1ccc(N2CCC[C@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)n1 ZINC000193598462 277198730 /nfs/dbraw/zinc/19/87/30/277198730.db2.gz QLVHESCHOUOCSC-MJBXVCDLSA-N 2 1 303.410 0.409 10 0 DCAEMP CC1(C)C[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC[C@H]1[NH3+] ZINC000261732407 278334619 /nfs/dbraw/zinc/33/46/19/278334619.db2.gz LIHVJPPEFWTDKR-QWHCGFSZSA-N 2 1 303.472 0.717 10 0 DCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333876175 289045526 /nfs/dbraw/zinc/04/55/26/289045526.db2.gz VJZBUDAAUUKGDU-GDBMZVCRSA-N 2 1 322.453 0.801 10 0 DCAEMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000262090592 662054697 /nfs/dbraw/zinc/05/46/97/662054697.db2.gz UTJIZNJLMFRHBQ-QZTJIDSGSA-N 2 1 324.513 0.713 10 0 DCAEMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000900605143 663259882 /nfs/dbraw/zinc/25/98/82/663259882.db2.gz VUVNNDIWJJLSSZ-GJZGRUSLSA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000900605143 663259884 /nfs/dbraw/zinc/25/98/84/663259884.db2.gz VUVNNDIWJJLSSZ-GJZGRUSLSA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000900605143 663259885 /nfs/dbraw/zinc/25/98/85/663259885.db2.gz VUVNNDIWJJLSSZ-GJZGRUSLSA-N 2 1 323.437 0.568 10 0 DCAEMP CCOC(=O)[C@H]1CCC[NH+](CC(=O)N2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000900605143 663259886 /nfs/dbraw/zinc/25/98/86/663259886.db2.gz VUVNNDIWJJLSSZ-GJZGRUSLSA-N 2 1 323.437 0.568 10 0 DCAEMP C[NH+](C)C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000040860353 669821961 /nfs/dbraw/zinc/82/19/61/669821961.db2.gz GMTOJQSAGGVGCU-CQSZACIVSA-N 2 1 312.439 0.029 10 0 DCAEMP O=S(=O)(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000405149849 774151820 /nfs/dbraw/zinc/15/18/20/774151820.db2.gz AEUXYDHGDRRCJY-CQSZACIVSA-N 2 1 309.435 0.542 10 0 DCAEMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246735034 533018767 /nfs/dbraw/zinc/01/87/67/533018767.db2.gz YPJHRZWPTXCHPD-GDBMZVCRSA-N 2 1 320.437 0.644 10 0 DCAEMP CO[C@H]1C[C@@H](CN(C)c2cc(N3CCOCC3)ncn2)[N@@H+](C)C1 ZINC000284497887 131086767 /nfs/dbraw/zinc/08/67/67/131086767.db2.gz HZKDOKBCPQVKQQ-KBPBESRZSA-N 2 1 321.425 0.469 10 0 DCAEMP Cn1ccnc1CN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000194696431 395804559 /nfs/dbraw/zinc/80/45/59/395804559.db2.gz GXHSXGCWWQQNMA-HNNXBMFYSA-N 2 1 319.453 0.843 10 0 DCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000194696431 395804564 /nfs/dbraw/zinc/80/45/64/395804564.db2.gz GXHSXGCWWQQNMA-HNNXBMFYSA-N 2 1 319.453 0.843 10 0 DCAEMP CN1CC[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000116279790 395842692 /nfs/dbraw/zinc/84/26/92/395842692.db2.gz ZOCIHNYJYORNPJ-HNNXBMFYSA-N 2 1 322.453 0.093 10 0 DCAEMP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033906 395850776 /nfs/dbraw/zinc/85/07/76/395850776.db2.gz XAXUAUGEYIDPPU-HIFRSBDPSA-N 2 1 310.442 0.443 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000246998732 395963859 /nfs/dbraw/zinc/96/38/59/395963859.db2.gz NTKCJLGCHKUJNI-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246998732 395963862 /nfs/dbraw/zinc/96/38/62/395963862.db2.gz NTKCJLGCHKUJNI-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246998732 395963864 /nfs/dbraw/zinc/96/38/64/395963864.db2.gz NTKCJLGCHKUJNI-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[N@H+]1C[C@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169789570 396093588 /nfs/dbraw/zinc/09/35/88/396093588.db2.gz MWUIRNRDQDACNO-OAHLLOKOSA-N 2 1 312.454 0.818 10 0 DCAEMP NCc1nc(CN2CC[NH+](CCOc3ccccc3)CC2)no1 ZINC000262205265 396110691 /nfs/dbraw/zinc/11/06/91/396110691.db2.gz KYUNWWMJXAGMAR-UHFFFAOYSA-N 2 1 317.393 0.725 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000175609199 396140701 /nfs/dbraw/zinc/14/07/01/396140701.db2.gz RXKZYKGABZVTDW-CABCVRRESA-N 2 1 312.458 0.690 10 0 DCAEMP CCOC(=O)COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263298495 396212581 /nfs/dbraw/zinc/21/25/81/396212581.db2.gz WRPIKFQPUIJNFT-ZFWWWQNUSA-N 2 1 308.378 0.298 10 0 DCAEMP CN(CC1CC1)C(=O)CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388766 397638585 /nfs/dbraw/zinc/63/85/85/397638585.db2.gz JSBBKPKDFVJJGY-INIZCTEOSA-N 2 1 308.470 0.567 10 0 DCAEMP CN1CC[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000116279787 158164306 /nfs/dbraw/zinc/16/43/06/158164306.db2.gz ZOCIHNYJYORNPJ-OAHLLOKOSA-N 2 1 322.453 0.093 10 0 DCAEMP CC[C@@](C)(O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000123543532 158232047 /nfs/dbraw/zinc/23/20/47/158232047.db2.gz HEWYDQGANNGFBK-IAGOWNOFSA-N 2 1 313.486 0.874 10 0 DCAEMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262022585 158764647 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415698638 /nfs/dbraw/zinc/69/86/38/415698638.db2.gz NDNBZMNQVIPJRS-HNNXBMFYSA-N 2 1 312.458 0.738 10 0 DCAEMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333832286 415745241 /nfs/dbraw/zinc/74/52/41/415745241.db2.gz MRZBCMPRQRKPBK-AWEZNQCLSA-N 2 1 312.458 0.881 10 0 DCAEMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333832286 415745250 /nfs/dbraw/zinc/74/52/50/415745250.db2.gz MRZBCMPRQRKPBK-AWEZNQCLSA-N 2 1 312.458 0.881 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333826832 415746465 /nfs/dbraw/zinc/74/64/65/415746465.db2.gz LUAHLIVNWFPSCT-QLFBSQMISA-N 2 1 310.442 0.491 10 0 DCAEMP COCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CC=C(C)CC2)C1 ZINC000358186397 416207984 /nfs/dbraw/zinc/20/79/84/416207984.db2.gz JAJBTLTXBOIDTF-HNNXBMFYSA-N 2 1 310.442 0.658 10 0 DCAEMP COCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000358186397 416207988 /nfs/dbraw/zinc/20/79/88/416207988.db2.gz JAJBTLTXBOIDTF-HNNXBMFYSA-N 2 1 310.442 0.658 10 0 DCAEMP 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/nfs/dbraw/zinc/33/52/05/417335205.db2.gz VOJYHKRERLDNEN-SJORKVTESA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638109472 417335211 /nfs/dbraw/zinc/33/52/11/417335211.db2.gz VOJYHKRERLDNEN-SJORKVTESA-N 2 1 316.449 0.752 10 0 DCAEMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000638833720 417566858 /nfs/dbraw/zinc/56/68/58/417566858.db2.gz BMYVCUDAFOQFAH-DJIMGWMZSA-N 2 1 317.433 0.859 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000638833720 417566862 /nfs/dbraw/zinc/56/68/62/417566862.db2.gz BMYVCUDAFOQFAH-DJIMGWMZSA-N 2 1 317.433 0.859 10 0 DCAEMP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC000117483652 521644167 /nfs/dbraw/zinc/64/41/67/521644167.db2.gz RBQVQMVXQQUJGA-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)[C@H](C)C2)C1 ZINC000117483652 521644173 /nfs/dbraw/zinc/64/41/73/521644173.db2.gz RBQVQMVXQQUJGA-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC000117483652 521644177 /nfs/dbraw/zinc/64/41/77/521644177.db2.gz RBQVQMVXQQUJGA-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)C1 ZINC000117483652 521644180 /nfs/dbraw/zinc/64/41/80/521644180.db2.gz RBQVQMVXQQUJGA-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000725272101 548750186 /nfs/dbraw/zinc/75/01/86/548750186.db2.gz MLHKMAOZCUZOON-PWSUYJOCSA-N 2 1 311.455 0.614 10 0 DCAEMP C[N@H+](CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386896741 685250908 /nfs/dbraw/zinc/25/09/08/685250908.db2.gz OGAZDXVAEXUQOG-HNNXBMFYSA-N 2 1 311.451 0.790 10 0 DCAEMP C[N@@H+](CCNS(=O)(=O)[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000386896741 685250911 /nfs/dbraw/zinc/25/09/11/685250911.db2.gz OGAZDXVAEXUQOG-HNNXBMFYSA-N 2 1 311.451 0.790 10 0 DCAEMP CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333889027 282098900 /nfs/dbraw/zinc/09/89/00/282098900.db2.gz GMVGSMKYMRTPHH-HNNXBMFYSA-N 2 1 311.474 0.454 10 0 DCAEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000178980471 282891792 /nfs/dbraw/zinc/89/17/92/282891792.db2.gz AJOYAOAJTSUFHL-UHFFFAOYSA-N 3 1 322.497 0.862 10 0 DCAEMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081279274 192244541 /nfs/dbraw/zinc/24/45/41/192244541.db2.gz SGYUOHUFQSHQFH-JKSUJKDBSA-N 2 1 305.422 0.606 10 0 DCAEMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081279274 192244544 /nfs/dbraw/zinc/24/45/44/192244544.db2.gz SGYUOHUFQSHQFH-JKSUJKDBSA-N 2 1 305.422 0.606 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000156279616 291224279 /nfs/dbraw/zinc/22/42/79/291224279.db2.gz GKBOGDJKACCBDS-LSDHHAIUSA-N 2 1 314.474 0.984 10 0 DCAEMP CN(C)C(=O)[C@H]1CCCN1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000157377806 291228329 /nfs/dbraw/zinc/22/83/29/291228329.db2.gz HYWMOMGXWNGUJP-GASCZTMLSA-N 2 1 324.469 0.482 10 0 DCAEMP 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/nfs/dbraw/zinc/95/95/43/395959543.db2.gz PUMURBLSIDVRSL-DJIMGWMZSA-N 2 1 321.465 0.918 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246864874 395959546 /nfs/dbraw/zinc/95/95/46/395959546.db2.gz PUMURBLSIDVRSL-DJIMGWMZSA-N 2 1 321.465 0.918 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246998721 395963674 /nfs/dbraw/zinc/96/36/74/395963674.db2.gz NTKCJLGCHKUJNI-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246998721 395963676 /nfs/dbraw/zinc/96/36/76/395963676.db2.gz NTKCJLGCHKUJNI-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP COCCC[NH+](C)CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246998721 395963678 /nfs/dbraw/zinc/96/36/78/395963678.db2.gz NTKCJLGCHKUJNI-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000247599798 395976683 /nfs/dbraw/zinc/97/66/83/395976683.db2.gz UERSJSXEJMAMJS-OAGGEKHMSA-N 2 1 324.469 0.975 10 0 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CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)CCOC)[C@@H](C)C1 ZINC000246446069 287083752 /nfs/dbraw/zinc/08/37/52/287083752.db2.gz NWSGOMCEUHGQGR-LSDHHAIUSA-N 2 1 314.474 0.936 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247775196 287095225 /nfs/dbraw/zinc/09/52/25/287095225.db2.gz QJAUTGJDSOGNFX-CABCVRRESA-N 2 1 311.474 0.406 10 0 DCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000333142776 415569700 /nfs/dbraw/zinc/56/97/00/415569700.db2.gz DGALGQMZIOVIRJ-CABCVRRESA-N 2 1 312.458 0.866 10 0 DCAEMP CC(=O)N1CCN(C(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000173527833 416060404 /nfs/dbraw/zinc/06/04/04/416060404.db2.gz WAZMLKFGNYBCJG-ZFWWWQNUSA-N 2 1 310.442 0.092 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)NCc1cccnc1N(C)C ZINC000175079835 416095926 /nfs/dbraw/zinc/09/59/26/416095926.db2.gz FFPZAYYOYDEWLC-UHFFFAOYSA-N 2 1 323.441 0.915 10 0 DCAEMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262022591 416335979 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662269770 /nfs/dbraw/zinc/26/97/70/662269770.db2.gz MHERLZBWVYEJHO-IUODEOHRSA-N 2 1 321.425 0.579 10 0 DCAEMP C[NH+](C)C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000040860350 669821904 /nfs/dbraw/zinc/82/19/04/669821904.db2.gz GMTOJQSAGGVGCU-AWEZNQCLSA-N 2 1 312.439 0.029 10 0 DCAEMP CCc1nnc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000171589343 237133293 /nfs/dbraw/zinc/13/32/93/237133293.db2.gz NFCVVIHURSVVKJ-CYBMUJFWSA-N 2 1 309.458 0.902 10 0 DCAEMP CCc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000171589343 237133306 /nfs/dbraw/zinc/13/33/06/237133306.db2.gz NFCVVIHURSVVKJ-CYBMUJFWSA-N 2 1 309.458 0.902 10 0 DCAEMP COC(=O)Cn1cc(CCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000154293791 291212830 /nfs/dbraw/zinc/21/28/30/291212830.db2.gz LJFQJXHZVQLCHO-TZMCWYRMSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)nn1 ZINC000154293791 291212832 /nfs/dbraw/zinc/21/28/32/291212832.db2.gz LJFQJXHZVQLCHO-TZMCWYRMSA-N 2 1 309.414 0.408 10 0 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Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)NC(N)=O)C2)[nH+]1 ZINC000101587051 395765678 /nfs/dbraw/zinc/76/56/78/395765678.db2.gz AOTWIUANHRPSJX-GFCCVEGCSA-N 2 1 305.382 0.709 10 0 DCAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)NC(N)=O)C2)[nH+]1 ZINC000101587051 395765681 /nfs/dbraw/zinc/76/56/81/395765681.db2.gz AOTWIUANHRPSJX-GFCCVEGCSA-N 2 1 305.382 0.709 10 0 DCAEMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283420 395772928 /nfs/dbraw/zinc/77/29/28/395772928.db2.gz FOHKFAIIQUIRNO-CHWSQXEVSA-N 2 1 322.453 0.315 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C ZINC000246755598 395957185 /nfs/dbraw/zinc/95/71/85/395957185.db2.gz AHSDHNYZPJZMQT-OAGGEKHMSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246755598 395957187 /nfs/dbraw/zinc/95/71/87/395957187.db2.gz AHSDHNYZPJZMQT-OAGGEKHMSA-N 2 1 324.469 0.975 10 0 DCAEMP CN1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000247348736 395972823 /nfs/dbraw/zinc/97/28/23/395972823.db2.gz XZXFQROYAMGKIS-ZNMIVQPWSA-N 2 1 310.442 0.443 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828072 396098652 /nfs/dbraw/zinc/09/86/52/396098652.db2.gz HUXVKZTXYNIYDC-LSDHHAIUSA-N 2 1 312.458 0.689 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262240177 396114417 /nfs/dbraw/zinc/11/44/17/396114417.db2.gz KUYCNBSRBWXTEG-GVDBMIGSSA-N 2 1 317.433 0.738 10 0 DCAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000173914145 396136079 /nfs/dbraw/zinc/13/60/79/396136079.db2.gz MBNYTDSAUPIHTF-CABCVRRESA-N 2 1 311.474 0.215 10 0 DCAEMP CCN1CC[NH+](CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000261927699 396080459 /nfs/dbraw/zinc/08/04/59/396080459.db2.gz ZPCYIKVVLOVZOH-IYBDPMFKSA-N 2 1 308.470 0.472 10 0 DCAEMP CCOCCNC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000175944362 396147149 /nfs/dbraw/zinc/14/71/49/396147149.db2.gz XWZOLSKQSRWBDN-CQSZACIVSA-N 2 1 306.410 0.968 10 0 DCAEMP CCOCCNC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000175944362 396147151 /nfs/dbraw/zinc/14/71/51/396147151.db2.gz XWZOLSKQSRWBDN-CQSZACIVSA-N 2 1 306.410 0.968 10 0 DCAEMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263286148 396211374 /nfs/dbraw/zinc/21/13/74/396211374.db2.gz VANDCXBASHLYFE-ZFWWWQNUSA-N 2 1 301.394 0.554 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000185049430 396316130 /nfs/dbraw/zinc/31/61/30/396316130.db2.gz NNFICODHTXDYBC-HUUCEWRRSA-N 2 1 314.474 0.815 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000185049430 396316131 /nfs/dbraw/zinc/31/61/31/396316131.db2.gz NNFICODHTXDYBC-HUUCEWRRSA-N 2 1 314.474 0.815 10 0 DCAEMP CC(C)[NH2+]CCN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000193437931 396451443 /nfs/dbraw/zinc/45/14/43/396451443.db2.gz YMNMGUGCFMEDDZ-KRWDZBQOSA-N 2 1 312.502 0.711 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@@H]1CC ZINC000262001780 286086647 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C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC000245809907 287073430 /nfs/dbraw/zinc/07/34/30/287073430.db2.gz OMMMHIQXPNSHIL-DLBZAZTESA-N 2 1 321.469 0.346 10 0 DCAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000245809907 287073431 /nfs/dbraw/zinc/07/34/31/287073431.db2.gz OMMMHIQXPNSHIL-DLBZAZTESA-N 2 1 321.469 0.346 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000245809907 287073432 /nfs/dbraw/zinc/07/34/32/287073432.db2.gz OMMMHIQXPNSHIL-DLBZAZTESA-N 2 1 321.469 0.346 10 0 DCAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799380 415531341 /nfs/dbraw/zinc/53/13/41/415531341.db2.gz MCWPVRCDUQEYQH-XJFOESAGSA-N 2 1 303.472 0.729 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000106541525 415645077 /nfs/dbraw/zinc/64/50/77/415645077.db2.gz QJAUTGJDSOGNFX-LSDHHAIUSA-N 2 1 311.474 0.406 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000111856653 415699328 /nfs/dbraw/zinc/69/93/28/415699328.db2.gz BMEFYIZAMCHWSM-ZFWWWQNUSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000111856653 415699335 /nfs/dbraw/zinc/69/93/35/415699335.db2.gz BMEFYIZAMCHWSM-ZFWWWQNUSA-N 2 1 312.458 0.879 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000111856653 415699342 /nfs/dbraw/zinc/69/93/42/415699342.db2.gz BMEFYIZAMCHWSM-ZFWWWQNUSA-N 2 1 312.458 0.879 10 0 DCAEMP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816631 415745849 /nfs/dbraw/zinc/74/58/49/415745849.db2.gz QKOVQKRQHVUHLA-VGWMRTNUSA-N 2 1 318.421 0.406 10 0 DCAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@H](C)C1 ZINC000128944004 415903988 /nfs/dbraw/zinc/90/39/88/415903988.db2.gz NWSGOMCEUHGQGR-HUUCEWRRSA-N 2 1 314.474 0.936 10 0 DCAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@H+](C)CCOC)[C@H](C)C1 ZINC000128944004 415903991 /nfs/dbraw/zinc/90/39/91/415903991.db2.gz NWSGOMCEUHGQGR-HUUCEWRRSA-N 2 1 314.474 0.936 10 0 DCAEMP CC[NH+]1CC[C@@H](N(C)C(=O)NCC[N@@H+](C)CCOC)[C@H](C)C1 ZINC000128944004 415903995 /nfs/dbraw/zinc/90/39/95/415903995.db2.gz NWSGOMCEUHGQGR-HUUCEWRRSA-N 2 1 314.474 0.936 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000173248138 416055220 /nfs/dbraw/zinc/05/52/20/416055220.db2.gz JITZAUYXFUDNNA-MQVJKMGUSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000173248138 416055222 /nfs/dbraw/zinc/05/52/22/416055222.db2.gz JITZAUYXFUDNNA-MQVJKMGUSA-N 2 1 324.469 0.975 10 0 DCAEMP CCCNC(=O)CN(C)C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173526809 416060738 /nfs/dbraw/zinc/06/07/38/416060738.db2.gz NDHBOWPNAFZNRD-ZIAGYGMSSA-N 2 1 312.458 0.386 10 0 DCAEMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000176131522 416120115 /nfs/dbraw/zinc/12/01/15/416120115.db2.gz XLRGOIJGQVDVDU-OAHLLOKOSA-N 2 1 312.458 0.834 10 0 DCAEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCOCC1 ZINC000176131522 416120120 /nfs/dbraw/zinc/12/01/20/416120120.db2.gz XLRGOIJGQVDVDU-OAHLLOKOSA-N 2 1 312.458 0.834 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000180532831 416196761 /nfs/dbraw/zinc/19/67/61/416196761.db2.gz ZGTGZZCYDQSRGJ-HNNXBMFYSA-N 2 1 305.426 0.430 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000180532831 416196767 /nfs/dbraw/zinc/19/67/67/416196767.db2.gz ZGTGZZCYDQSRGJ-HNNXBMFYSA-N 2 1 305.426 0.430 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000184831077 416252918 /nfs/dbraw/zinc/25/29/18/416252918.db2.gz JJSIMWYPFVSTRC-GJZGRUSLSA-N 2 1 314.474 0.815 10 0 DCAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000191520872 416286903 /nfs/dbraw/zinc/28/69/03/416286903.db2.gz KATHPDAKXNVEQF-INIZCTEOSA-N 2 1 324.469 0.851 10 0 DCAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000191520872 416286907 /nfs/dbraw/zinc/28/69/07/416286907.db2.gz KATHPDAKXNVEQF-INIZCTEOSA-N 2 1 324.469 0.851 10 0 DCAEMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000448257129 417067475 /nfs/dbraw/zinc/06/74/75/417067475.db2.gz SIMBMISQBNFOGV-AWEZNQCLSA-N 2 1 305.426 0.943 10 0 DCAEMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000448257129 417067479 /nfs/dbraw/zinc/06/74/79/417067479.db2.gz SIMBMISQBNFOGV-AWEZNQCLSA-N 2 1 305.426 0.943 10 0 DCAEMP CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632417749 417074145 /nfs/dbraw/zinc/07/41/45/417074145.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 2 1 319.471 0.063 10 0 DCAEMP CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC000632417749 417074152 /nfs/dbraw/zinc/07/41/52/417074152.db2.gz MKFHGSXJALFMLD-ZIAGYGMSSA-N 2 1 319.471 0.063 10 0 DCAEMP CC(C)(C)OC(=O)N1CC(CCO)([NH2+]C[C@@H]2CCC[NH2+]C2)C1 ZINC000397951241 262164288 /nfs/dbraw/zinc/16/42/88/262164288.db2.gz LGFVPVLRAPLXPL-CYBMUJFWSA-N 2 1 313.442 0.948 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000111836839 276177408 /nfs/dbraw/zinc/17/74/08/276177408.db2.gz DNQYYWNJAVKHRX-GJZGRUSLSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000111836839 276177411 /nfs/dbraw/zinc/17/74/11/276177411.db2.gz DNQYYWNJAVKHRX-GJZGRUSLSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCOC)C1 ZINC000111836839 276177413 /nfs/dbraw/zinc/17/74/13/276177413.db2.gz DNQYYWNJAVKHRX-GJZGRUSLSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247039824 279270023 /nfs/dbraw/zinc/27/00/23/279270023.db2.gz IWMZELHDAHVBNB-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000333669727 289046544 /nfs/dbraw/zinc/04/65/44/289046544.db2.gz MXCQWFGFZXOCPU-APIJFGDWSA-N 2 1 310.442 0.761 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000342084245 290100321 /nfs/dbraw/zinc/10/03/21/290100321.db2.gz BDJVEVIUTPOJSC-BYNSBNAKSA-N 2 1 312.458 0.566 10 0 DCAEMP C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000702398257 666944731 /nfs/dbraw/zinc/94/47/31/666944731.db2.gz XJOBYLQNYJQMFC-RDJZCZTQSA-N 2 1 318.465 0.998 10 0 DCAEMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000711418084 667464126 /nfs/dbraw/zinc/46/41/26/667464126.db2.gz MDCQXFIAXLDFJC-SEEARECTSA-N 2 1 313.442 0.946 10 0 DCAEMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000711418084 667464127 /nfs/dbraw/zinc/46/41/27/667464127.db2.gz MDCQXFIAXLDFJC-SEEARECTSA-N 2 1 313.442 0.946 10 0 DCAEMP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251833400 685185825 /nfs/dbraw/zinc/18/58/25/685185825.db2.gz PTSGHIQRLQTCIP-HIFRSBDPSA-N 2 1 315.483 0.874 10 0 DCAEMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251833400 685185829 /nfs/dbraw/zinc/18/58/29/685185829.db2.gz PTSGHIQRLQTCIP-HIFRSBDPSA-N 2 1 315.483 0.874 10 0 DCAEMP C[C@H](NS(=O)(=O)C1C[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405209213 774153891 /nfs/dbraw/zinc/15/38/91/774153891.db2.gz AYBLOKLJMPLHDX-DZGCQCFKSA-N 2 1 323.462 0.788 10 0 DCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000333142777 252685595 /nfs/dbraw/zinc/68/55/95/252685595.db2.gz DGALGQMZIOVIRJ-HUUCEWRRSA-N 2 1 312.458 0.866 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](C)CS(C)(=O)=O)CC1 ZINC000246408960 395949103 /nfs/dbraw/zinc/94/91/03/395949103.db2.gz BBKIBBMXHZGOGG-KBPBESRZSA-N 2 1 320.499 0.692 10 0 DCAEMP CN1CCO[C@H](CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000246514139 395952108 /nfs/dbraw/zinc/95/21/08/395952108.db2.gz UYEBTHLLYIJYFZ-CHWSQXEVSA-N 2 1 310.398 0.512 10 0 DCAEMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000247490908 395975033 /nfs/dbraw/zinc/97/50/33/395975033.db2.gz UFMKLOZQKUCBRY-CABCVRRESA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000247490908 395975037 /nfs/dbraw/zinc/97/50/37/395975037.db2.gz UFMKLOZQKUCBRY-CABCVRRESA-N 2 1 310.442 0.587 10 0 DCAEMP C[N@H+]1CC[C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)[C@H]2C1 ZINC000248664523 395993741 /nfs/dbraw/zinc/99/37/41/395993741.db2.gz JXXZYYUDEJCATP-KBPBESRZSA-N 2 1 301.456 0.438 10 0 DCAEMP O=C(N1CC[N@@H+]2CCCC[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262342205 396126891 /nfs/dbraw/zinc/12/68/91/396126891.db2.gz TWTGIVBROQUPGW-HNNXBMFYSA-N 2 1 317.437 0.659 10 0 DCAEMP O=C(N1CC[N@H+]2CCCC[C@H]2C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262342205 396126895 /nfs/dbraw/zinc/12/68/95/396126895.db2.gz TWTGIVBROQUPGW-HNNXBMFYSA-N 2 1 317.437 0.659 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCN(C)CC1 ZINC000173505460 396135302 /nfs/dbraw/zinc/13/53/02/396135302.db2.gz PPBSJXKPJXPRIY-HZPDHXFCSA-N 2 1 323.485 0.360 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505460 396135303 /nfs/dbraw/zinc/13/53/03/396135303.db2.gz PPBSJXKPJXPRIY-HZPDHXFCSA-N 2 1 323.485 0.360 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)CN1CC[NH+](C)CC1 ZINC000173505460 396135304 /nfs/dbraw/zinc/13/53/04/396135304.db2.gz PPBSJXKPJXPRIY-HZPDHXFCSA-N 2 1 323.485 0.360 10 0 DCAEMP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cn1 ZINC000261890231 396076511 /nfs/dbraw/zinc/07/65/11/396076511.db2.gz GJBLTOCRKZXFSU-UMVBOHGHSA-N 2 1 304.394 0.427 10 0 DCAEMP Cn1ccnc1CC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC000077471843 396224285 /nfs/dbraw/zinc/22/42/85/396224285.db2.gz WIJHSWCDYISNLM-HNNXBMFYSA-N 2 1 319.453 0.639 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000184935457 396311492 /nfs/dbraw/zinc/31/14/92/396311492.db2.gz NDCZPXPKVBVHIA-HUUCEWRRSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000184935457 396311494 /nfs/dbraw/zinc/31/14/94/396311494.db2.gz NDCZPXPKVBVHIA-HUUCEWRRSA-N 2 1 312.458 0.569 10 0 DCAEMP CC[C@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@H+]1CCOC ZINC000188762368 396385741 /nfs/dbraw/zinc/38/57/41/396385741.db2.gz OTMBHPRYOQPSBI-LBPRGKRZSA-N 2 1 321.425 0.238 10 0 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/nfs/dbraw/zinc/34/14/22/158341422.db2.gz JAUDHYZGMRNFBO-INIZCTEOSA-N 2 1 310.486 0.957 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000168019223 158370711 /nfs/dbraw/zinc/37/07/11/158370711.db2.gz WZWNFOOTYDBKKY-CQSZACIVSA-N 2 1 317.433 0.662 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C ZINC000168019223 158370715 /nfs/dbraw/zinc/37/07/15/158370715.db2.gz WZWNFOOTYDBKKY-CQSZACIVSA-N 2 1 317.433 0.662 10 0 DCAEMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C[C@H](C)O ZINC000248462684 287097740 /nfs/dbraw/zinc/09/77/40/287097740.db2.gz WPFOPOAVGMHBKD-DZGCQCFKSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1CCOC)C1CC1 ZINC000111849972 415698231 /nfs/dbraw/zinc/69/82/31/415698231.db2.gz YZUBODDWFPXXGG-HNNXBMFYSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC)C1CC1 ZINC000111849972 415698234 /nfs/dbraw/zinc/69/82/34/415698234.db2.gz YZUBODDWFPXXGG-HNNXBMFYSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1CCOC)C1CC1 ZINC000111849972 415698243 /nfs/dbraw/zinc/69/82/43/415698243.db2.gz YZUBODDWFPXXGG-HNNXBMFYSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1C[C@@H](C)O ZINC000333798049 415740287 /nfs/dbraw/zinc/74/02/87/415740287.db2.gz HIMUNBZZUYSQKC-RBSFLKMASA-N 2 1 312.458 0.615 10 0 DCAEMP CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333923385 415764676 /nfs/dbraw/zinc/76/46/76/415764676.db2.gz SCHRKWCOZQCNJM-CABCVRRESA-N 2 1 312.458 0.785 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000171896210 416042785 /nfs/dbraw/zinc/04/27/85/416042785.db2.gz VDZJQWQMQZPXQS-OAHLLOKOSA-N 2 1 312.458 0.882 10 0 DCAEMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173274107 416055698 /nfs/dbraw/zinc/05/56/98/416055698.db2.gz OFFYFTQYDRVJQA-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173274107 416055700 /nfs/dbraw/zinc/05/57/00/416055700.db2.gz OFFYFTQYDRVJQA-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CN1CC[NH+](C)CC1 ZINC000173914150 416067196 /nfs/dbraw/zinc/06/71/96/416067196.db2.gz MBNYTDSAUPIHTF-LSDHHAIUSA-N 2 1 311.474 0.215 10 0 DCAEMP [NH3+][C@@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000179577777 416190648 /nfs/dbraw/zinc/19/06/48/416190648.db2.gz OWPYBDPASOYUEU-KRWDZBQOSA-N 2 1 316.449 0.658 10 0 DCAEMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COC(C)(C)C ZINC000182951028 416234867 /nfs/dbraw/zinc/23/48/67/416234867.db2.gz QMOGQSKSFSUBPM-HNNXBMFYSA-N 2 1 301.475 0.732 10 0 DCAEMP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)C1=CC[N@@H+](C)CC1 ZINC000541893968 416617215 /nfs/dbraw/zinc/61/72/15/416617215.db2.gz SFWYJHWRUQLYQD-CYBMUJFWSA-N 2 1 303.410 0.865 10 0 DCAEMP NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000368569739 416668851 /nfs/dbraw/zinc/66/88/51/416668851.db2.gz ODSUTCAKXOXMMB-LSDHHAIUSA-N 2 1 318.421 0.218 10 0 DCAEMP 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/nfs/dbraw/zinc/13/24/14/276132414.db2.gz WEYQEAMPDSUNEG-LBPRGKRZSA-N 2 1 308.426 0.910 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175609165 279106065 /nfs/dbraw/zinc/10/60/65/279106065.db2.gz RXKZYKGABZVTDW-HUUCEWRRSA-N 2 1 312.458 0.690 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106529884 279158845 /nfs/dbraw/zinc/15/88/45/279158845.db2.gz NVJNQPGRFGGRQM-LSDHHAIUSA-N 2 1 313.490 0.652 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000333798052 280362153 /nfs/dbraw/zinc/36/21/53/280362153.db2.gz HIMUNBZZUYSQKC-SOUVJXGZSA-N 2 1 312.458 0.615 10 0 DCAEMP C[C@@H]([NH3+])CC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000261936631 658799345 /nfs/dbraw/zinc/79/93/45/658799345.db2.gz ZPVNPVWFANTIEF-CYBMUJFWSA-N 2 1 310.442 0.126 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCS2(=O)=O)CC1 ZINC000929556564 668703003 /nfs/dbraw/zinc/70/30/03/668703003.db2.gz XYDYLXQLANHOEX-DZGCQCFKSA-N 2 1 318.483 0.588 10 0 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/nfs/dbraw/zinc/96/04/34/395960434.db2.gz FCIWWMPXPPAFDK-ROUUACIJSA-N 2 1 322.497 0.563 10 0 DCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247658074 395977348 /nfs/dbraw/zinc/97/73/48/395977348.db2.gz ZAIUQPGQNXJTGP-CABCVRRESA-N 2 1 309.458 0.112 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000262071832 396096617 /nfs/dbraw/zinc/09/66/17/396096617.db2.gz GEWZSVRHRGJAOU-YDHLFZDLSA-N 2 1 310.442 0.171 10 0 DCAEMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261881043 396075239 /nfs/dbraw/zinc/07/52/39/396075239.db2.gz UPTFUNNBDNHKCX-HOCLYGCPSA-N 2 1 309.454 0.931 10 0 DCAEMP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263200587 396205922 /nfs/dbraw/zinc/20/59/22/396205922.db2.gz IYKGHKPFNBXOJY-WMZOPIPTSA-N 3 1 318.465 0.498 10 0 DCAEMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000263321872 396214444 /nfs/dbraw/zinc/21/44/44/396214444.db2.gz ROURCZCTKIKJMX-UHFFFAOYSA-N 2 1 316.449 0.530 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185592108 396331243 /nfs/dbraw/zinc/33/12/43/396331243.db2.gz JIBIIJBGPALWNF-KFWWJZLASA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185592108 396331247 /nfs/dbraw/zinc/33/12/47/396331247.db2.gz JIBIIJBGPALWNF-KFWWJZLASA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000185592108 396331249 /nfs/dbraw/zinc/33/12/49/396331249.db2.gz JIBIIJBGPALWNF-KFWWJZLASA-N 2 1 312.458 0.567 10 0 DCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000309731892 396757861 /nfs/dbraw/zinc/75/78/61/396757861.db2.gz PKZVPCZLWDSGNU-CQSZACIVSA-N 2 1 318.421 0.055 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165173346 158364972 /nfs/dbraw/zinc/36/49/72/158364972.db2.gz RPQHXWDJSGLFCW-KBPBESRZSA-N 2 1 324.469 0.611 10 0 DCAEMP CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261894179 158751466 /nfs/dbraw/zinc/75/14/66/158751466.db2.gz GWNHETQGKVSZJO-OAGGEKHMSA-N 2 1 311.470 0.844 10 0 DCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000359250343 159256679 /nfs/dbraw/zinc/25/66/79/159256679.db2.gz KGWLYURPUYHGSM-HNNXBMFYSA-N 2 1 324.469 0.601 10 0 DCAEMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000359250343 159256680 /nfs/dbraw/zinc/25/66/80/159256680.db2.gz KGWLYURPUYHGSM-HNNXBMFYSA-N 2 1 324.469 0.601 10 0 DCAEMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000359250343 159256682 /nfs/dbraw/zinc/25/66/82/159256682.db2.gz KGWLYURPUYHGSM-HNNXBMFYSA-N 2 1 324.469 0.601 10 0 DCAEMP CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000408106586 160037207 /nfs/dbraw/zinc/03/72/07/160037207.db2.gz TYCFPKRADXWHRQ-UONOGXRCSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132130937 287003893 /nfs/dbraw/zinc/00/38/93/287003893.db2.gz OGFFBASIDYIQJT-LSDHHAIUSA-N 2 1 317.499 0.932 10 0 DCAEMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132130937 287003898 /nfs/dbraw/zinc/00/38/98/287003898.db2.gz OGFFBASIDYIQJT-LSDHHAIUSA-N 2 1 317.499 0.932 10 0 DCAEMP C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000333821284 287147293 /nfs/dbraw/zinc/14/72/93/287147293.db2.gz KXEUZHLPMQCPEV-QLFBSQMISA-N 2 1 312.458 0.879 10 0 DCAEMP C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000333821284 287147296 /nfs/dbraw/zinc/14/72/96/287147296.db2.gz KXEUZHLPMQCPEV-QLFBSQMISA-N 2 1 312.458 0.879 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333725729 415724721 /nfs/dbraw/zinc/72/47/21/415724721.db2.gz VJICMZQVRDLOSA-CABCVRRESA-N 2 1 309.458 0.160 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000130582841 415921757 /nfs/dbraw/zinc/92/17/57/415921757.db2.gz OJJSDLMBCRJIRS-FMKPAKJESA-N 2 1 324.469 0.758 10 0 DCAEMP C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3C(N)=O)CC2)CCO1 ZINC000302020180 230040680 /nfs/dbraw/zinc/04/06/80/230040680.db2.gz HMXQJHCYXVMRTJ-LBPRGKRZSA-N 2 1 304.394 0.870 10 0 DCAEMP C[C@H]1C[N@H+](C2CCN(c3cc[nH+]cc3C(N)=O)CC2)CCO1 ZINC000302020180 230040683 /nfs/dbraw/zinc/04/06/83/230040683.db2.gz HMXQJHCYXVMRTJ-LBPRGKRZSA-N 2 1 304.394 0.870 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000194152083 261144896 /nfs/dbraw/zinc/14/48/96/261144896.db2.gz JWQSTJNOQGXHKD-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000194152083 261144898 /nfs/dbraw/zinc/14/48/98/261144898.db2.gz JWQSTJNOQGXHKD-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000194152083 261144899 /nfs/dbraw/zinc/14/48/99/261144899.db2.gz JWQSTJNOQGXHKD-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[C@H](CO)[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194783501 261148810 /nfs/dbraw/zinc/14/88/10/261148810.db2.gz ATWWYMWLSVGKRX-OAHLLOKOSA-N 2 1 309.454 0.776 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@@H+]2CC[C@H](CO)[C@H]2C)COC1 ZINC000488742612 272050178 /nfs/dbraw/zinc/05/01/78/272050178.db2.gz FUFNFCNJIJRJDG-FPCVCCKLSA-N 2 1 312.454 0.408 10 0 DCAEMP C[C@@H]1[C@@H](CO)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](CO)[C@H]2C)COC1 ZINC000488742612 272050179 /nfs/dbraw/zinc/05/01/79/272050179.db2.gz FUFNFCNJIJRJDG-FPCVCCKLSA-N 2 1 312.454 0.408 10 0 DCAEMP C[C@@H]1[C@@H](CO)CC[NH+]1CC1(C[N@H+]2CC[C@@H](CO)[C@H]2C)COC1 ZINC000488742612 272050180 /nfs/dbraw/zinc/05/01/80/272050180.db2.gz FUFNFCNJIJRJDG-FPCVCCKLSA-N 2 1 312.454 0.408 10 0 DCAEMP C[C@H]1C(=O)NCCC[NH+]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189315706 290306363 /nfs/dbraw/zinc/30/63/63/290306363.db2.gz LOISBZRSOMLXDQ-KBPBESRZSA-N 2 1 310.442 0.187 10 0 DCAEMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000238056178 526657815 /nfs/dbraw/zinc/65/78/15/526657815.db2.gz OPJIRIMVSBRWRB-INIZCTEOSA-N 2 1 303.406 0.887 10 0 DCAEMP 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/nfs/dbraw/zinc/12/56/22/396125622.db2.gz SISAPVXNHMOXRE-NUEKZKHPSA-N 2 1 321.396 0.487 10 0 DCAEMP CC(C)[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000262367489 396130955 /nfs/dbraw/zinc/13/09/55/396130955.db2.gz LJEZERCHPHBTGB-JYJNAYRXSA-N 2 1 310.486 0.763 10 0 DCAEMP CCOC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263298494 396212752 /nfs/dbraw/zinc/21/27/52/396212752.db2.gz WRPIKFQPUIJNFT-UKRRQHHQSA-N 2 1 308.378 0.298 10 0 DCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263066519 396199756 /nfs/dbraw/zinc/19/97/56/396199756.db2.gz WAHZDDVDGJLHTP-WMLDXEAASA-N 2 1 324.469 0.517 10 0 DCAEMP COc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OC(F)F ZINC000263153333 396203609 /nfs/dbraw/zinc/20/36/09/396203609.db2.gz DFPBAQOANXILAU-GHMZBOCLSA-N 2 1 302.321 0.967 10 0 DCAEMP COc1ccc(C[N@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cc1 ZINC000263314839 396213599 /nfs/dbraw/zinc/21/35/99/396213599.db2.gz QBRQESOEQQEILQ-UHFFFAOYSA-N 2 1 303.406 0.949 10 0 DCAEMP CCN1CC[NH+](CCC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000586756861 396662189 /nfs/dbraw/zinc/66/21/89/396662189.db2.gz NXGLIXFVDRQTQT-UHFFFAOYSA-N 2 1 322.457 0.411 10 0 DCAEMP COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000588967783 396702150 /nfs/dbraw/zinc/70/21/50/396702150.db2.gz VTLLYHXGCRABKI-SOLBZPMBSA-N 2 1 318.417 0.974 10 0 DCAEMP COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000588967783 396702154 /nfs/dbraw/zinc/70/21/54/396702154.db2.gz VTLLYHXGCRABKI-SOLBZPMBSA-N 2 1 318.417 0.974 10 0 DCAEMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000588967783 396702157 /nfs/dbraw/zinc/70/21/57/396702157.db2.gz VTLLYHXGCRABKI-SOLBZPMBSA-N 2 1 318.417 0.974 10 0 DCAEMP COC(=O)[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000588967783 396702161 /nfs/dbraw/zinc/70/21/61/396702161.db2.gz VTLLYHXGCRABKI-SOLBZPMBSA-N 2 1 318.417 0.974 10 0 DCAEMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333928414 396935674 /nfs/dbraw/zinc/93/56/74/396935674.db2.gz XGRQLZOBKVCMKS-OXGONZEZSA-N 2 1 324.469 0.471 10 0 DCAEMP CN1CCN(C(=O)CN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000120695373 158202072 /nfs/dbraw/zinc/20/20/72/158202072.db2.gz SSMKAUXDZISISG-UHFFFAOYSA-N 3 1 308.470 0.568 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CN(C)CCO2)[C@H](C)C1 ZINC000129078580 158284648 /nfs/dbraw/zinc/28/46/48/158284648.db2.gz RMWIJGKMOJURNA-KFWWJZLASA-N 2 1 312.458 0.689 10 0 DCAEMP C[NH+](C)C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000134985308 158331865 /nfs/dbraw/zinc/33/18/65/158331865.db2.gz KKHGLZZMZGLZNP-UHFFFAOYSA-N 2 1 324.347 0.791 10 0 DCAEMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355161 287081907 /nfs/dbraw/zinc/08/19/07/287081907.db2.gz PLPNSAULLQDFEM-KGLIPLIRSA-N 2 1 303.472 0.542 10 0 DCAEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333947879 415769089 /nfs/dbraw/zinc/76/90/89/415769089.db2.gz VVQSGKHZZKLOLO-IHRRRGAJSA-N 2 1 312.458 0.471 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@H]1C ZINC000130724008 415921858 /nfs/dbraw/zinc/92/18/58/415921858.db2.gz SUTJYYVLPRMVQD-RRFJBIMHSA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@H]1C ZINC000130724008 415921864 /nfs/dbraw/zinc/92/18/64/415921864.db2.gz SUTJYYVLPRMVQD-RRFJBIMHSA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1C ZINC000130724008 415921865 /nfs/dbraw/zinc/92/18/65/415921865.db2.gz SUTJYYVLPRMVQD-RRFJBIMHSA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C[C@H]1C ZINC000130724008 415921871 /nfs/dbraw/zinc/92/18/71/415921871.db2.gz SUTJYYVLPRMVQD-RRFJBIMHSA-N 2 1 324.469 0.974 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000175273776 416100888 /nfs/dbraw/zinc/10/08/88/416100888.db2.gz KIRVYFFOIPDAMW-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175954078 416116941 /nfs/dbraw/zinc/11/69/41/416116941.db2.gz WXKSPOBDAJHBPP-JKSUJKDBSA-N 2 1 324.469 0.834 10 0 DCAEMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000182853325 416232694 /nfs/dbraw/zinc/23/26/94/416232694.db2.gz FFNXCQSIMVUGSI-JYJNAYRXSA-N 2 1 305.422 0.865 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000191414986 416287505 /nfs/dbraw/zinc/28/75/05/416287505.db2.gz YGLABNULMUVXSO-MRXNPFEDSA-N 2 1 310.486 0.955 10 0 DCAEMP COc1ccccc1CC[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262264608 416336398 /nfs/dbraw/zinc/33/63/98/416336398.db2.gz XYVQCVRMYJKXFE-UHFFFAOYSA-N 2 1 305.422 0.991 10 0 DCAEMP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262367029 416336681 /nfs/dbraw/zinc/33/66/81/416336681.db2.gz VUQNUYXUIRQPTE-OAHLLOKOSA-N 2 1 317.437 0.657 10 0 DCAEMP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)C1 ZINC000237934059 416329307 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0 DCAEMP CC(=O)[C@](C)(O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000347733601 254183362 /nfs/dbraw/zinc/18/33/62/254183362.db2.gz GKCAHXFPPVOCMZ-HLLBOEOZSA-N 2 1 311.470 0.817 10 0 DCAEMP CC(=O)[C@](C)(O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000347733601 254183364 /nfs/dbraw/zinc/18/33/64/254183364.db2.gz GKCAHXFPPVOCMZ-HLLBOEOZSA-N 2 1 311.470 0.817 10 0 DCAEMP C[C@H](CN1CCOCC1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000091559230 395726028 /nfs/dbraw/zinc/72/60/28/395726028.db2.gz YFHNYBORARDDPG-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H](CN1CCOCC1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000091559230 395726029 /nfs/dbraw/zinc/72/60/29/395726029.db2.gz YFHNYBORARDDPG-QZTJIDSGSA-N 2 1 324.513 0.809 10 0 DCAEMP Cn1ccnc1CN1CCC(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000194696451 395804683 /nfs/dbraw/zinc/80/46/83/395804683.db2.gz GXHSXGCWWQQNMA-OAHLLOKOSA-N 2 1 319.453 0.843 10 0 DCAEMP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000194696451 395804691 /nfs/dbraw/zinc/80/46/91/395804691.db2.gz GXHSXGCWWQQNMA-OAHLLOKOSA-N 2 1 319.453 0.843 10 0 DCAEMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000237191663 395906137 /nfs/dbraw/zinc/90/61/37/395906137.db2.gz ASIPPTDGMITNEV-HNNXBMFYSA-N 2 1 322.453 0.141 10 0 DCAEMP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000261743433 396061416 /nfs/dbraw/zinc/06/14/16/396061416.db2.gz PLKRAQVQDXZNCX-RHSMWYFYSA-N 2 1 317.433 0.991 10 0 DCAEMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262175596 396107081 /nfs/dbraw/zinc/10/70/81/396107081.db2.gz ICWZSYZHNWORIS-KBPBESRZSA-N 2 1 322.457 0.519 10 0 DCAEMP CC1(C)COCCN1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261894175 396076449 /nfs/dbraw/zinc/07/64/49/396076449.db2.gz GWNHETQGKVSZJO-BZUAXINKSA-N 2 1 311.470 0.844 10 0 DCAEMP Cc1nc(COc2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cc2)no1 ZINC000263234220 396207549 /nfs/dbraw/zinc/20/75/49/396207549.db2.gz NTLAWLXMNYFRLR-ZFWWWQNUSA-N 2 1 318.377 0.627 10 0 DCAEMP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178287908 396192715 /nfs/dbraw/zinc/19/27/15/396192715.db2.gz FSVOKYFKBYZIFO-CQSZACIVSA-N 2 1 322.409 0.677 10 0 DCAEMP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178287908 396192717 /nfs/dbraw/zinc/19/27/17/396192717.db2.gz FSVOKYFKBYZIFO-CQSZACIVSA-N 2 1 322.409 0.677 10 0 DCAEMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000263300668 396212693 /nfs/dbraw/zinc/21/26/93/396212693.db2.gz WZQSMMOKMIRCFQ-HIFRSBDPSA-N 2 1 300.362 0.939 10 0 DCAEMP C[C@@H](C(=O)Nc1cnn(CC[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000586756860 396662315 /nfs/dbraw/zinc/66/23/15/396662315.db2.gz NLWKOALCKIMWRN-ZDUSSCGKSA-N 2 1 308.430 0.019 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@H]1C ZINC000168049149 286084117 /nfs/dbraw/zinc/08/41/17/286084117.db2.gz XKMGYALZJYYSGC-CQSZACIVSA-N 2 1 313.442 0.324 10 0 DCAEMP CCOCC[N@H+]1CCN(C(=O)C2(OC)CC[NH2+]CC2)C[C@H]1C ZINC000168049149 286084119 /nfs/dbraw/zinc/08/41/19/286084119.db2.gz XKMGYALZJYYSGC-CQSZACIVSA-N 2 1 313.442 0.324 10 0 DCAEMP CC(=O)NCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000111241573 158139879 /nfs/dbraw/zinc/13/98/79/158139879.db2.gz JQEOZMUYAVMWHD-UHFFFAOYSA-N 2 1 324.469 0.389 10 0 DCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000117038215 158170335 /nfs/dbraw/zinc/17/03/35/158170335.db2.gz GQSZHEPGXJRJQU-LSDHHAIUSA-N 2 1 312.458 0.690 10 0 DCAEMP C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@H+]1C1CC1 ZINC000129037376 158284822 /nfs/dbraw/zinc/28/48/22/158284822.db2.gz JCNHUCYHZRXOQL-DZGCQCFKSA-N 2 1 324.469 0.615 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C[N@H+]1C1CC1 ZINC000129036663 158285026 /nfs/dbraw/zinc/28/50/26/158285026.db2.gz JCNHUCYHZRXOQL-HIFRSBDPSA-N 2 1 324.469 0.615 10 0 DCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000263188004 158860437 /nfs/dbraw/zinc/86/04/37/158860437.db2.gz HOZJZIIUVLMYEI-AAEUAGOBSA-N 2 1 316.361 0.475 10 0 DCAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757612 287036180 /nfs/dbraw/zinc/03/61/80/287036180.db2.gz ROUZUDNXANSHKA-KGLIPLIRSA-N 2 1 305.488 0.978 10 0 DCAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757612 287036183 /nfs/dbraw/zinc/03/61/83/287036183.db2.gz ROUZUDNXANSHKA-KGLIPLIRSA-N 2 1 305.488 0.978 10 0 DCAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCNS(=O)(=O)CC)[C@H](C)C1 ZINC000151757612 287036185 /nfs/dbraw/zinc/03/61/85/287036185.db2.gz ROUZUDNXANSHKA-KGLIPLIRSA-N 2 1 305.488 0.978 10 0 DCAEMP CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000107281150 415662385 /nfs/dbraw/zinc/66/23/85/415662385.db2.gz XQUYRRATQDRJHF-INIZCTEOSA-N 2 1 310.486 0.955 10 0 DCAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107281150 415662393 /nfs/dbraw/zinc/66/23/93/415662393.db2.gz XQUYRRATQDRJHF-INIZCTEOSA-N 2 1 310.486 0.955 10 0 DCAEMP CC(C)[NH+](C)CC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000107281150 415662399 /nfs/dbraw/zinc/66/23/99/415662399.db2.gz XQUYRRATQDRJHF-INIZCTEOSA-N 2 1 310.486 0.955 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111690557 415695828 /nfs/dbraw/zinc/69/58/28/415695828.db2.gz DDZYGHHZARCUML-OAHLLOKOSA-N 2 1 320.437 0.658 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000111836843 415696935 /nfs/dbraw/zinc/69/69/35/415696935.db2.gz ZNVUOPLSUXUDKZ-HNNXBMFYSA-N 2 1 312.458 0.474 10 0 DCAEMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](C)N1CCOCC1 ZINC000175001236 416094862 /nfs/dbraw/zinc/09/48/62/416094862.db2.gz TVXYNIXOABIMHH-CQSZACIVSA-N 2 1 323.441 0.992 10 0 DCAEMP C[NH+](C)C[C@](C)(O)CNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000328627654 416123296 /nfs/dbraw/zinc/12/32/96/416123296.db2.gz GKLRVOJHZPYXEV-SWLSCSKDSA-N 2 1 309.414 0.792 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000177486468 416145477 /nfs/dbraw/zinc/14/54/77/416145477.db2.gz FHTSVNWKQQFNLT-CQSZACIVSA-N 2 1 309.414 0.635 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000178327749 416160450 /nfs/dbraw/zinc/16/04/50/416160450.db2.gz PIJUKMLWGCSUAU-ZDUSSCGKSA-N 2 1 305.382 0.644 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000178327749 416160454 /nfs/dbraw/zinc/16/04/54/416160454.db2.gz PIJUKMLWGCSUAU-ZDUSSCGKSA-N 2 1 305.382 0.644 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000358470802 416243502 /nfs/dbraw/zinc/24/35/02/416243502.db2.gz TYKIUCZJQJYCKF-UHFFFAOYSA-N 2 1 320.441 1.218 10 0 DCAEMP C[NH+](C)CCN1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000358808107 416276780 /nfs/dbraw/zinc/27/67/80/416276780.db2.gz HKWCLFGOIHQBRT-UHFFFAOYSA-N 2 1 318.465 0.824 10 0 DCAEMP C[NH+](C)CCN1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000358808107 416276784 /nfs/dbraw/zinc/27/67/84/416276784.db2.gz HKWCLFGOIHQBRT-UHFFFAOYSA-N 2 1 318.465 0.824 10 0 DCAEMP C[C@@H](O)C[N@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000194690709 416324223 /nfs/dbraw/zinc/32/42/23/416324223.db2.gz PDKZIOGLKHPIGE-UONOGXRCSA-N 2 1 309.454 0.774 10 0 DCAEMP C[C@H]1C[C@H](NC(=O)NCCNc2cc[nH+]cc2)C[N@H+]1C1CC1 ZINC000535265191 416519773 /nfs/dbraw/zinc/51/97/73/416519773.db2.gz WKTAFHNFKHGGON-JSGCOSHPSA-N 2 1 303.410 0.840 10 0 DCAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(CCO)CC3)cn2)CC1 ZINC000189994486 261133396 /nfs/dbraw/zinc/13/33/96/261133396.db2.gz QZABEFLDXHXNEC-UHFFFAOYSA-N 2 1 305.426 0.481 10 0 DCAEMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000262022588 275446989 /nfs/dbraw/zinc/44/69/89/275446989.db2.gz WTPKGMRHNSYLIL-GVDBMIGSSA-N 2 1 309.454 0.992 10 0 DCAEMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[N@@H+]1CCc2ccccc2C1 ZINC000262334660 545983955 /nfs/dbraw/zinc/98/39/55/545983955.db2.gz SNNUJOKVFHQGBU-KCXAZCMYSA-N 2 1 303.406 0.130 10 0 DCAEMP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)[N@H+]1CCc2ccccc2C1 ZINC000262334660 545983957 /nfs/dbraw/zinc/98/39/57/545983957.db2.gz SNNUJOKVFHQGBU-KCXAZCMYSA-N 2 1 303.406 0.130 10 0 DCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@H]2C1 ZINC000333368109 546078792 /nfs/dbraw/zinc/07/87/92/546078792.db2.gz FCWJBJCIQCYBDG-IPYPFGDCSA-N 2 1 318.425 0.369 10 0 DCAEMP CC[NH+]1CCN(c2ccc(C(=O)NCC3C[NH2+]C3)cc2F)CC1 ZINC000261933842 661869333 /nfs/dbraw/zinc/86/93/33/661869333.db2.gz DNGWUDPEKOCHAX-UHFFFAOYSA-N 2 1 320.412 0.917 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000708570103 667444253 /nfs/dbraw/zinc/44/42/53/667444253.db2.gz GDCHTSNDRGHILQ-OIISXLGYSA-N 2 1 318.465 0.760 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000246876184 685167735 /nfs/dbraw/zinc/16/77/35/685167735.db2.gz DGIGRTCKXKADAG-ZFWWWQNUSA-N 2 1 306.410 0.903 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000246876184 685167740 /nfs/dbraw/zinc/16/77/40/685167740.db2.gz DGIGRTCKXKADAG-ZFWWWQNUSA-N 2 1 306.410 0.903 10 0 DCAEMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccccc1 ZINC000262226734 1185163747 /nfs/dbraw/zinc/16/37/47/1185163747.db2.gz UZSADELXTPANIU-UHFFFAOYSA-N 2 1 304.394 0.379 10 0 DCAEMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccccc1 ZINC000262226734 1185163750 /nfs/dbraw/zinc/16/37/50/1185163750.db2.gz UZSADELXTPANIU-UHFFFAOYSA-N 2 1 304.394 0.379 10 0 DCAEMP C[C@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000405094991 774149106 /nfs/dbraw/zinc/14/91/06/774149106.db2.gz ADIIYVRFNWQFKD-DZGCQCFKSA-N 2 1 323.462 0.931 10 0 DCAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000085797445 282135942 /nfs/dbraw/zinc/13/59/42/282135942.db2.gz PLPNSAULLQDFEM-UONOGXRCSA-N 2 1 303.472 0.542 10 0 DCAEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171921782 530053147 /nfs/dbraw/zinc/05/31/47/530053147.db2.gz OMMMHIQXPNSHIL-IRXDYDNUSA-N 2 1 321.469 0.346 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171921782 530053148 /nfs/dbraw/zinc/05/31/48/530053148.db2.gz OMMMHIQXPNSHIL-IRXDYDNUSA-N 2 1 321.469 0.346 10 0 DCAEMP COC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000187952960 237364558 /nfs/dbraw/zinc/36/45/58/237364558.db2.gz QTMFFHGARAFESQ-HNNXBMFYSA-N 2 1 313.442 0.182 10 0 DCAEMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378063 283666556 /nfs/dbraw/zinc/66/65/56/283666556.db2.gz MOLRYKJMIOQMTL-CABCVRRESA-N 2 1 305.426 0.767 10 0 DCAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000093639541 193279726 /nfs/dbraw/zinc/27/97/26/193279726.db2.gz BKKDFDBCEIPETG-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000093639541 193279730 /nfs/dbraw/zinc/27/97/30/193279730.db2.gz BKKDFDBCEIPETG-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000093639541 193279733 /nfs/dbraw/zinc/27/97/33/193279733.db2.gz BKKDFDBCEIPETG-OCCSQVGLSA-N 2 1 308.426 0.246 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194833801 395809442 /nfs/dbraw/zinc/80/94/42/395809442.db2.gz JJXNQGVUXUZVMF-NSHDSACASA-N 2 1 312.439 0.485 10 0 DCAEMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000237047580 395901500 /nfs/dbraw/zinc/90/15/00/395901500.db2.gz MUYWQDSGXJQVFI-MELADBBJSA-N 2 1 310.442 0.125 10 0 DCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246574697 395953523 /nfs/dbraw/zinc/95/35/23/395953523.db2.gz ZOGYMGBXCVNDRM-ILXRZTDVSA-N 2 1 310.442 0.585 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC[C@H](C)O)C1 ZINC000247464173 395973955 /nfs/dbraw/zinc/97/39/55/395973955.db2.gz IQRSGDLLVDSTNV-LSDHHAIUSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC[C@H](C)O)C1 ZINC000247464173 395973956 /nfs/dbraw/zinc/97/39/56/395973956.db2.gz IQRSGDLLVDSTNV-LSDHHAIUSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC[C@H](C)O)C1 ZINC000247464173 395973959 /nfs/dbraw/zinc/97/39/59/395973959.db2.gz IQRSGDLLVDSTNV-LSDHHAIUSA-N 2 1 315.458 0.162 10 0 DCAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000274819172 395979064 /nfs/dbraw/zinc/97/90/64/395979064.db2.gz JPDGYKSSIDPMQE-GXTWGEPZSA-N 2 1 304.394 0.682 10 0 DCAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000274819172 395979065 /nfs/dbraw/zinc/97/90/65/395979065.db2.gz JPDGYKSSIDPMQE-GXTWGEPZSA-N 2 1 304.394 0.682 10 0 DCAEMP Cc1cnn(CC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261864321 396073704 /nfs/dbraw/zinc/07/37/04/396073704.db2.gz KRJBKPUQYOJTBS-CVEARBPZSA-N 2 1 319.453 0.772 10 0 DCAEMP C[N@@H+](CCc1ccc2c(c1)CCO2)CC(=O)N1CC[NH2+]CC1 ZINC000261828050 396070432 /nfs/dbraw/zinc/07/04/32/396070432.db2.gz BDNQXHKGDDRTMB-UHFFFAOYSA-N 2 1 303.406 0.528 10 0 DCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CCOC1C[NH2+]C1 ZINC000262070619 396096184 /nfs/dbraw/zinc/09/61/84/396096184.db2.gz WUTHUWWVCLJLDZ-HNNXBMFYSA-N 2 1 319.405 0.547 10 0 DCAEMP CC(C)[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828083 396098978 /nfs/dbraw/zinc/09/89/78/396098978.db2.gz HUXVKZTXYNIYDC-CABCVRRESA-N 2 1 312.458 0.689 10 0 DCAEMP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262113482 396100670 /nfs/dbraw/zinc/10/06/70/396100670.db2.gz KUKIECGCASIPAR-HIFRSBDPSA-N 2 1 324.425 0.121 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000262119091 396100971 /nfs/dbraw/zinc/10/09/71/396100971.db2.gz FSWPGCLJJWUJQX-CUBALJKWSA-N 2 1 317.437 0.465 10 0 DCAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCS(N)(=O)=O)C2)[nH+]1 ZINC000170914543 396101713 /nfs/dbraw/zinc/10/17/13/396101713.db2.gz ZHMNOKKUGBUVBT-CYBMUJFWSA-N 2 1 312.439 0.802 10 0 DCAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCS(N)(=O)=O)C2)[nH+]1 ZINC000170914543 396101714 /nfs/dbraw/zinc/10/17/14/396101714.db2.gz ZHMNOKKUGBUVBT-CYBMUJFWSA-N 2 1 312.439 0.802 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262174912 396107324 /nfs/dbraw/zinc/10/73/24/396107324.db2.gz YTRJKDPNYRHISQ-HUUCEWRRSA-N 2 1 313.442 0.213 10 0 DCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262241845 396114756 /nfs/dbraw/zinc/11/47/56/396114756.db2.gz KYQNNIUVPABEDH-XHSDSOJGSA-N 2 1 319.453 0.714 10 0 DCAEMP CCOCCNC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000175944383 396147198 /nfs/dbraw/zinc/14/71/98/396147198.db2.gz XWZOLSKQSRWBDN-AWEZNQCLSA-N 2 1 306.410 0.968 10 0 DCAEMP CCOCCNC(=O)CN1CC[C@@H](CNc2ccccn2)C1 ZINC000175944383 396147202 /nfs/dbraw/zinc/14/72/02/396147202.db2.gz XWZOLSKQSRWBDN-AWEZNQCLSA-N 2 1 306.410 0.968 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000181710642 396241611 /nfs/dbraw/zinc/24/16/11/396241611.db2.gz ZXEPYHARXCOHFE-ZFWWWQNUSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000181710642 396241613 /nfs/dbraw/zinc/24/16/13/396241613.db2.gz ZXEPYHARXCOHFE-ZFWWWQNUSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[N@H+]1CCOC ZINC000188762349 396385488 /nfs/dbraw/zinc/38/54/88/396385488.db2.gz OTMBHPRYOQPSBI-GFCCVEGCSA-N 2 1 321.425 0.238 10 0 DCAEMP CN1CCN(C)[C@H](CNC(=O)Nc2ccc3nccn3c2)C1 ZINC000606583943 397684007 /nfs/dbraw/zinc/68/40/07/397684007.db2.gz UPJBPCIEUBGELI-CYBMUJFWSA-N 2 1 302.382 0.702 10 0 DCAEMP COC(=O)CNC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000111229087 158139712 /nfs/dbraw/zinc/13/97/12/158139712.db2.gz FRNGLQSWAVKQES-UHFFFAOYSA-N 2 1 322.409 0.354 10 0 DCAEMP COCCC[N@@H+](C)CCNC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C ZINC000121744346 158214349 /nfs/dbraw/zinc/21/43/49/158214349.db2.gz OXGCUWWBWFJMGF-CABCVRRESA-N 2 1 314.474 0.983 10 0 DCAEMP COC[C@H](C)NC(=O)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123621350 158231390 /nfs/dbraw/zinc/23/13/90/158231390.db2.gz ZLNLGHIQMFWZAI-AVGNSLFASA-N 2 1 314.430 0.262 10 0 DCAEMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263208267 158862144 /nfs/dbraw/zinc/86/21/44/158862144.db2.gz JYOLZDFTPXHJHG-LNSITVRQSA-N 2 1 308.378 0.297 10 0 DCAEMP CC[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000262100699 287165012 /nfs/dbraw/zinc/16/50/12/287165012.db2.gz UYOLDPRRMAOWRD-NWANDNLSSA-N 2 1 313.442 0.044 10 0 DCAEMP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000273063847 415303834 /nfs/dbraw/zinc/30/38/34/415303834.db2.gz JIZOEWAHSVSUTE-HUUCEWRRSA-N 2 1 306.410 0.842 10 0 DCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000072956143 415419191 /nfs/dbraw/zinc/41/91/91/415419191.db2.gz VPIHVTVWVYKHIO-LSDHHAIUSA-N 2 1 324.469 0.387 10 0 DCAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000090799377 415530844 /nfs/dbraw/zinc/53/08/44/415530844.db2.gz MCWPVRCDUQEYQH-SYQHCUMBSA-N 2 1 303.472 0.729 10 0 DCAEMP C[N@H+]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1ccccc1 ZINC000333599171 415693722 /nfs/dbraw/zinc/69/37/22/415693722.db2.gz PJMKGWTVZWRLLR-LEOABGAYSA-N 2 1 300.406 0.949 10 0 DCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333809339 415744250 /nfs/dbraw/zinc/74/42/50/415744250.db2.gz IYWJYFSIHBLFQM-KBPBESRZSA-N 2 1 312.458 0.615 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333826830 415746904 /nfs/dbraw/zinc/74/69/04/415746904.db2.gz LUAHLIVNWFPSCT-KFWWJZLASA-N 2 1 310.442 0.491 10 0 DCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333936753 415767445 /nfs/dbraw/zinc/76/74/45/415767445.db2.gz KUWJDIZQOWTUSM-GJZGRUSLSA-N 2 1 303.410 0.832 10 0 DCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333936753 415767455 /nfs/dbraw/zinc/76/74/55/415767455.db2.gz KUWJDIZQOWTUSM-GJZGRUSLSA-N 2 1 303.410 0.832 10 0 DCAEMP C[C@H]1C[C@@H](N(C)CC(=O)NCC(=O)N2CCCC2)CC[N@H+]1C ZINC000123855006 415844481 /nfs/dbraw/zinc/84/44/81/415844481.db2.gz VJPOGDGBLCBCIJ-KBPBESRZSA-N 2 1 310.442 0.140 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000172624449 416047285 /nfs/dbraw/zinc/04/72/85/416047285.db2.gz WXCXXSODAJWLOJ-LSDHHAIUSA-N 2 1 310.442 0.444 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCOCC1 ZINC000172624449 416047288 /nfs/dbraw/zinc/04/72/88/416047288.db2.gz WXCXXSODAJWLOJ-LSDHHAIUSA-N 2 1 310.442 0.444 10 0 DCAEMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000165024555 416019747 /nfs/dbraw/zinc/01/97/47/416019747.db2.gz RLHLMPRIXIQAIN-HOTGVXAUSA-N 2 1 303.406 0.274 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170826541 416033653 /nfs/dbraw/zinc/03/36/53/416033653.db2.gz KUKFNBAMSJKHMN-LSDHHAIUSA-N 2 1 312.458 0.689 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176257239 416122968 /nfs/dbraw/zinc/12/29/68/416122968.db2.gz XHZXFEFBMOWZPQ-HNNXBMFYSA-N 2 1 324.469 0.977 10 0 DCAEMP C[C@H]1C[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@H+]1C ZINC000262142327 416336295 /nfs/dbraw/zinc/33/62/95/416336295.db2.gz HFQYCNLUZBALRZ-LSDHHAIUSA-N 2 1 319.453 0.903 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643781201 417353715 /nfs/dbraw/zinc/35/37/15/417353715.db2.gz MGDJKXMGNCHZRT-HYVNUMGLSA-N 2 1 317.433 0.859 10 0 DCAEMP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000358641953 271059817 /nfs/dbraw/zinc/05/98/17/271059817.db2.gz ACBRIEKDNBKSEZ-UHFFFAOYSA-N 2 1 310.442 0.660 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000358641953 271059820 /nfs/dbraw/zinc/05/98/20/271059820.db2.gz ACBRIEKDNBKSEZ-UHFFFAOYSA-N 2 1 310.442 0.660 10 0 DCAEMP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353442952 278040866 /nfs/dbraw/zinc/04/08/66/278040866.db2.gz DOJFFEWVTZROKS-ZACQAIPSSA-N 2 1 308.470 0.613 10 0 DCAEMP CC[N@H+](CCNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000247231615 279195315 /nfs/dbraw/zinc/19/53/15/279195315.db2.gz WJSQAHCPDCCLRU-AWEZNQCLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1CC[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000247231615 279195316 /nfs/dbraw/zinc/19/53/16/279195316.db2.gz WJSQAHCPDCCLRU-AWEZNQCLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000247231615 279195318 /nfs/dbraw/zinc/19/53/18/279195318.db2.gz WJSQAHCPDCCLRU-AWEZNQCLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000247231615 279195320 /nfs/dbraw/zinc/19/53/20/279195320.db2.gz WJSQAHCPDCCLRU-AWEZNQCLSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333628074 288151241 /nfs/dbraw/zinc/15/12/41/288151241.db2.gz GECMSJGRQNHFEW-IJEWVQPXSA-N 2 1 324.469 0.879 10 0 DCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000553023428 288284720 /nfs/dbraw/zinc/28/47/20/288284720.db2.gz RAPQPVYJUAZQGD-CQSZACIVSA-N 2 1 312.458 0.387 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262060701 297095506 /nfs/dbraw/zinc/09/55/06/297095506.db2.gz AVDISPJCMHHCDT-MIGQKNRLSA-N 2 1 317.437 0.418 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000570950871 333171441 /nfs/dbraw/zinc/17/14/41/333171441.db2.gz KLNDLZJFSPEPOR-IPYPFGDCSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000570950871 333171442 /nfs/dbraw/zinc/17/14/42/333171442.db2.gz KLNDLZJFSPEPOR-IPYPFGDCSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000570950871 333171444 /nfs/dbraw/zinc/17/14/44/333171444.db2.gz KLNDLZJFSPEPOR-IPYPFGDCSA-N 2 1 320.437 0.034 10 0 DCAEMP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3nccn(C)c3=O)C2)CC1 ZINC000328626909 528989271 /nfs/dbraw/zinc/98/92/71/528989271.db2.gz FPHZUFOXFGPWJH-OAHLLOKOSA-N 2 1 319.453 0.823 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000178309159 657709129 /nfs/dbraw/zinc/70/91/29/657709129.db2.gz DGIGRTCKXKADAG-UKRRQHHQSA-N 2 1 306.410 0.903 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000178309159 657709136 /nfs/dbraw/zinc/70/91/36/657709136.db2.gz DGIGRTCKXKADAG-UKRRQHHQSA-N 2 1 306.410 0.903 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720793980 685314459 /nfs/dbraw/zinc/31/44/59/685314459.db2.gz LPVPXDCOIPVTIU-UWVGGRQHSA-N 2 1 317.377 0.337 10 0 DCAEMP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720793980 685314463 /nfs/dbraw/zinc/31/44/63/685314463.db2.gz LPVPXDCOIPVTIU-UWVGGRQHSA-N 2 1 317.377 0.337 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000246876170 685167523 /nfs/dbraw/zinc/16/75/23/685167523.db2.gz DGIGRTCKXKADAG-DZGCQCFKSA-N 2 1 306.410 0.903 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000246876170 685167525 /nfs/dbraw/zinc/16/75/25/685167525.db2.gz DGIGRTCKXKADAG-DZGCQCFKSA-N 2 1 306.410 0.903 10 0 DCAEMP C[C@@H]1C[C@@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000405097293 774149786 /nfs/dbraw/zinc/14/97/86/774149786.db2.gz TWDCWYRSRNMRFD-TZMCWYRMSA-N 2 1 309.435 0.541 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@H]3CC[N@@H+](C)C[C@H]31)C2 ZINC000329747956 282178810 /nfs/dbraw/zinc/17/88/10/282178810.db2.gz ZRRAOWLAYKKWHV-IMJJTQAJSA-N 2 1 318.421 0.685 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@H]3CC[N@H+](C)C[C@H]31)C2 ZINC000329747956 282178811 /nfs/dbraw/zinc/17/88/11/282178811.db2.gz ZRRAOWLAYKKWHV-IMJJTQAJSA-N 2 1 318.421 0.685 10 0 DCAEMP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)ncn1 ZINC000173416827 198212313 /nfs/dbraw/zinc/21/23/13/198212313.db2.gz JDXIZQWKQLKADR-ZDUSSCGKSA-N 2 1 320.441 0.944 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247488047 285022033 /nfs/dbraw/zinc/02/20/33/285022033.db2.gz LCBHCPFVVGGJBR-CABCVRRESA-N 2 1 310.442 0.587 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247488047 285022034 /nfs/dbraw/zinc/02/20/34/285022034.db2.gz LCBHCPFVVGGJBR-CABCVRRESA-N 2 1 310.442 0.587 10 0 DCAEMP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247488047 285022035 /nfs/dbraw/zinc/02/20/35/285022035.db2.gz LCBHCPFVVGGJBR-CABCVRRESA-N 2 1 310.442 0.587 10 0 DCAEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048977 285196991 /nfs/dbraw/zinc/19/69/91/285196991.db2.gz IWMZELHDAHVBNB-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC000193620274 395774915 /nfs/dbraw/zinc/77/49/15/395774915.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 2 1 316.405 0.608 10 0 DCAEMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC000193620274 395774919 /nfs/dbraw/zinc/77/49/19/395774919.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 2 1 316.405 0.608 10 0 DCAEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C(N)=O)cc3)C[C@@H]2C1 ZINC000193620274 395774921 /nfs/dbraw/zinc/77/49/21/395774921.db2.gz HRGTTXDQUBWTOO-OKILXGFUSA-N 2 1 316.405 0.608 10 0 DCAEMP C[NH+]1CCC[C@H]1CNC(=O)CCCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000194696849 395804427 /nfs/dbraw/zinc/80/44/27/395804427.db2.gz DUVMZDQNNDMIMT-GASCZTMLSA-N 2 1 324.469 0.578 10 0 DCAEMP C[NH+]1CCC[C@@H]1CNC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000194696849 395804431 /nfs/dbraw/zinc/80/44/31/395804431.db2.gz DUVMZDQNNDMIMT-GASCZTMLSA-N 2 1 324.469 0.578 10 0 DCAEMP C[NH+]1CCC[C@@H]1CNC(=O)CCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194696849 395804435 /nfs/dbraw/zinc/80/44/35/395804435.db2.gz DUVMZDQNNDMIMT-GASCZTMLSA-N 2 1 324.469 0.578 10 0 DCAEMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000236628806 395895349 /nfs/dbraw/zinc/89/53/49/395895349.db2.gz XEYWBWAWTWATIY-CVEARBPZSA-N 2 1 309.454 0.945 10 0 DCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000245467548 395930003 /nfs/dbraw/zinc/93/00/03/395930003.db2.gz SGYUOHUFQSHQFH-CVEARBPZSA-N 2 1 305.422 0.606 10 0 DCAEMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000245467548 395930007 /nfs/dbraw/zinc/93/00/07/395930007.db2.gz SGYUOHUFQSHQFH-CVEARBPZSA-N 2 1 305.422 0.606 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](C)N1CCOCC1 ZINC000245412529 395928243 /nfs/dbraw/zinc/92/82/43/395928243.db2.gz AARUQTCDOWLKIP-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH2+][C@H](C)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000262447674 396141287 /nfs/dbraw/zinc/14/12/87/396141287.db2.gz JEUUVSIWRXEVKM-MRXNPFEDSA-N 2 1 318.465 0.918 10 0 DCAEMP CCS(=O)(=O)N(C)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262061715 396094517 /nfs/dbraw/zinc/09/45/17/396094517.db2.gz REMHYTTYDRYRAU-CQSZACIVSA-N 2 1 303.472 0.732 10 0 DCAEMP Cn1ccnc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262362880 396130281 /nfs/dbraw/zinc/13/02/81/396130281.db2.gz WPYLHVNHWSUTHA-ZIAGYGMSSA-N 2 1 305.426 0.500 10 0 DCAEMP Cn1ccnc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262362880 396130284 /nfs/dbraw/zinc/13/02/84/396130284.db2.gz WPYLHVNHWSUTHA-ZIAGYGMSSA-N 2 1 305.426 0.500 10 0 DCAEMP C[N@@H+](CCC(=O)Nc1ccccc1)CC(=O)N1CC[NH2+]CC1 ZINC000261937560 396081606 /nfs/dbraw/zinc/08/16/06/396081606.db2.gz KROWUWICOSRTCL-UHFFFAOYSA-N 2 1 304.394 0.379 10 0 DCAEMP CC(=O)Nc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261944074 396082604 /nfs/dbraw/zinc/08/26/04/396082604.db2.gz LZQQVKAUXRJRLD-UHFFFAOYSA-N 2 1 304.394 0.509 10 0 DCAEMP CC(=O)Nc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000261944074 396082606 /nfs/dbraw/zinc/08/26/06/396082606.db2.gz LZQQVKAUXRJRLD-UHFFFAOYSA-N 2 1 304.394 0.509 10 0 DCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000261950328 396083249 /nfs/dbraw/zinc/08/32/49/396083249.db2.gz LMRXJNGGZCSXCJ-ZFWWWQNUSA-N 2 1 305.378 0.157 10 0 DCAEMP Cc1[nH+]ccn1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262507641 396148705 /nfs/dbraw/zinc/14/87/05/396148705.db2.gz MQGPASMDRBMECS-DVOMOZLQSA-N 2 1 306.410 0.840 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262634580 396165322 /nfs/dbraw/zinc/16/53/22/396165322.db2.gz HRXJHQKIEOJCAP-OLZOCXBDSA-N 2 1 310.442 0.221 10 0 DCAEMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)CCO1 ZINC000263310735 396213016 /nfs/dbraw/zinc/21/30/16/396213016.db2.gz PDTFFHJALVRCPA-ZDUSSCGKSA-N 2 1 303.406 0.743 10 0 DCAEMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3C[NH2+]C3)c2)CCO1 ZINC000263310735 396213017 /nfs/dbraw/zinc/21/30/17/396213017.db2.gz PDTFFHJALVRCPA-ZDUSSCGKSA-N 2 1 303.406 0.743 10 0 DCAEMP COCc1noc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000182236543 396248523 /nfs/dbraw/zinc/24/85/23/396248523.db2.gz IGQKSPZPVFUPPQ-GFCCVEGCSA-N 2 1 312.414 0.741 10 0 DCAEMP COCc1noc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000182236543 396248525 /nfs/dbraw/zinc/24/85/25/396248525.db2.gz IGQKSPZPVFUPPQ-GFCCVEGCSA-N 2 1 312.414 0.741 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000165940494 158366373 /nfs/dbraw/zinc/36/63/73/158366373.db2.gz PWDOEFCHZNFNFB-ZDUSSCGKSA-N 2 1 320.441 0.725 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000328652047 159018003 /nfs/dbraw/zinc/01/80/03/159018003.db2.gz JVYNRMHHNGDRLA-HIFRSBDPSA-N 2 1 305.378 0.518 10 0 DCAEMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000249721374 287117695 /nfs/dbraw/zinc/11/76/95/287117695.db2.gz MOZHYFNQNHEDMK-DZGCQCFKSA-N 2 1 310.442 0.140 10 0 DCAEMP CC[N@H+]1CC[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000249781521 287118074 /nfs/dbraw/zinc/11/80/74/287118074.db2.gz LGQLCBQHXHJPQL-JSGCOSHPSA-N 2 1 303.472 0.588 10 0 DCAEMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000273063851 415303674 /nfs/dbraw/zinc/30/36/74/415303674.db2.gz JIZOEWAHSVSUTE-LSDHHAIUSA-N 2 1 306.410 0.842 10 0 DCAEMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333936755 415767812 /nfs/dbraw/zinc/76/78/12/415767812.db2.gz KUWJDIZQOWTUSM-LSDHHAIUSA-N 2 1 303.410 0.832 10 0 DCAEMP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333936755 415767816 /nfs/dbraw/zinc/76/78/16/415767816.db2.gz KUWJDIZQOWTUSM-LSDHHAIUSA-N 2 1 303.410 0.832 10 0 DCAEMP CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000164923490 416018586 /nfs/dbraw/zinc/01/85/86/416018586.db2.gz OOFUADMZEAENIO-HOTGVXAUSA-N 2 1 317.433 0.662 10 0 DCAEMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccco2)[N@H+](C)C1 ZINC000345741488 416142081 /nfs/dbraw/zinc/14/20/81/416142081.db2.gz QEMSUOPIZCNBLG-GJZGRUSLSA-N 2 1 309.410 0.889 10 0 DCAEMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccco2)[N@@H+](C)C1 ZINC000345741488 416142086 /nfs/dbraw/zinc/14/20/86/416142086.db2.gz QEMSUOPIZCNBLG-GJZGRUSLSA-N 2 1 309.410 0.889 10 0 DCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000261626749 416335583 /nfs/dbraw/zinc/33/55/83/416335583.db2.gz ARWXMQALPFVZSR-UKRRQHHQSA-N 2 1 319.405 0.547 10 0 DCAEMP COC(=O)[C@@H](C1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000359584308 416351812 /nfs/dbraw/zinc/35/18/12/416351812.db2.gz ACZAMOWXHHSVDF-CQSZACIVSA-N 2 1 311.426 0.328 10 0 DCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+](C)CCOC ZINC000246105985 416331637 /nfs/dbraw/zinc/33/16/37/416331637.db2.gz HNEJYENOJPFXLD-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@H+](C)CCOC ZINC000246105985 416331638 /nfs/dbraw/zinc/33/16/38/416331638.db2.gz HNEJYENOJPFXLD-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NCC[N@@H+](C)CCOC ZINC000246105985 416331639 /nfs/dbraw/zinc/33/16/39/416331639.db2.gz HNEJYENOJPFXLD-CABCVRRESA-N 2 1 312.458 0.833 10 0 DCAEMP CCO[C@@H]1C[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000405601296 417125330 /nfs/dbraw/zinc/12/53/30/417125330.db2.gz POZGFIXYGIAQJQ-IUODEOHRSA-N 2 1 317.389 0.578 10 0 DCAEMP CCO[C@@H]1C[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000405601296 417125335 /nfs/dbraw/zinc/12/53/35/417125335.db2.gz POZGFIXYGIAQJQ-IUODEOHRSA-N 2 1 317.389 0.578 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488720228 272049011 /nfs/dbraw/zinc/04/90/11/272049011.db2.gz PHLBBTNYUSHDHL-FPCVCCKLSA-N 2 1 300.443 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@H](CO)[C@H]1C ZINC000488720228 272049014 /nfs/dbraw/zinc/04/90/14/272049014.db2.gz PHLBBTNYUSHDHL-FPCVCCKLSA-N 2 1 300.443 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@H](CO)[C@H]1C ZINC000488720228 272049017 /nfs/dbraw/zinc/04/90/17/272049017.db2.gz PHLBBTNYUSHDHL-FPCVCCKLSA-N 2 1 300.443 0.408 10 0 DCAEMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261841426 278357922 /nfs/dbraw/zinc/35/79/22/278357922.db2.gz ITKPVYVPGGETLR-KBPBESRZSA-N 2 1 324.469 0.481 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000114022659 279320596 /nfs/dbraw/zinc/32/05/96/279320596.db2.gz GZLXXEWVYVGKQN-AWEZNQCLSA-N 2 1 312.458 0.881 10 0 DCAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCn3nc4ccccn4c3=O)C[C@@H]21 ZINC000262353693 662344336 /nfs/dbraw/zinc/34/43/36/662344336.db2.gz VPKPGFUQOPZBAZ-HZSPNIEDSA-N 2 1 301.394 0.555 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000702388720 666946830 /nfs/dbraw/zinc/94/68/30/666946830.db2.gz AYVYWBHBARTSNN-BMFZPTHFSA-N 2 1 304.438 0.655 10 0 DCAEMP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000405094996 774149207 /nfs/dbraw/zinc/14/92/07/774149207.db2.gz ADIIYVRFNWQFKD-UKRRQHHQSA-N 2 1 323.462 0.931 10 0 DCAEMP CN(C)C(=O)[C@H]1CCCN1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157377960 291228210 /nfs/dbraw/zinc/22/82/10/291228210.db2.gz HYWMOMGXWNGUJP-HUUCEWRRSA-N 2 1 324.469 0.482 10 0 DCAEMP C[NH2+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378073 283645235 /nfs/dbraw/zinc/64/52/35/283645235.db2.gz MOLRYKJMIOQMTL-LSDHHAIUSA-N 2 1 305.426 0.767 10 0 DCAEMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117048981 285204348 /nfs/dbraw/zinc/20/43/48/285204348.db2.gz IWMZELHDAHVBNB-LSDHHAIUSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283424 395772886 /nfs/dbraw/zinc/77/28/86/395772886.db2.gz FOHKFAIIQUIRNO-QWHCGFSZSA-N 2 1 322.453 0.315 10 0 DCAEMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103283417 395772994 /nfs/dbraw/zinc/77/29/94/395772994.db2.gz FOHKFAIIQUIRNO-STQMWFEESA-N 2 1 322.453 0.315 10 0 DCAEMP CNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000111262928 395804529 /nfs/dbraw/zinc/80/45/29/395804529.db2.gz JXBIPISQBZZDEZ-ZDUSSCGKSA-N 2 1 322.453 0.187 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194833785 395809731 /nfs/dbraw/zinc/80/97/31/395809731.db2.gz JJXNQGVUXUZVMF-LLVKDONJSA-N 2 1 312.439 0.485 10 0 DCAEMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247001506 395963801 /nfs/dbraw/zinc/96/38/01/395963801.db2.gz GQSZHEPGXJRJQU-CABCVRRESA-N 2 1 312.458 0.690 10 0 DCAEMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248614414 395991407 /nfs/dbraw/zinc/99/14/07/395991407.db2.gz LPFUMDZXSRFRER-KKUMJFAQSA-N 2 1 314.474 0.813 10 0 DCAEMP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261841430 396071854 /nfs/dbraw/zinc/07/18/54/396071854.db2.gz ITKPVYVPGGETLR-KGLIPLIRSA-N 2 1 324.469 0.481 10 0 DCAEMP CSC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000249427066 396008125 /nfs/dbraw/zinc/00/81/25/396008125.db2.gz GBDJRYCVFNFJIS-HUUCEWRRSA-N 2 1 301.500 0.812 10 0 DCAEMP CSC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000249427066 396008128 /nfs/dbraw/zinc/00/81/28/396008128.db2.gz GBDJRYCVFNFJIS-HUUCEWRRSA-N 2 1 301.500 0.812 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000252441941 396019322 /nfs/dbraw/zinc/01/93/22/396019322.db2.gz DNQYYWNJAVKHRX-HUUCEWRRSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000252441941 396019324 /nfs/dbraw/zinc/01/93/24/396019324.db2.gz DNQYYWNJAVKHRX-HUUCEWRRSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000252441941 396019329 /nfs/dbraw/zinc/01/93/29/396019329.db2.gz DNQYYWNJAVKHRX-HUUCEWRRSA-N 2 1 312.458 0.881 10 0 DCAEMP CCC[NH+]1CCC(CNC(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000171204088 396111080 /nfs/dbraw/zinc/11/10/80/396111080.db2.gz OVOYKBMXPRNBKZ-UHFFFAOYSA-N 2 1 314.474 0.986 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000262292009 396118968 /nfs/dbraw/zinc/11/89/68/396118968.db2.gz OUHROPWVMSUELU-JYJNAYRXSA-N 2 1 303.406 0.348 10 0 DCAEMP Cn1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262362862 396130442 /nfs/dbraw/zinc/13/04/42/396130442.db2.gz WPYLHVNHWSUTHA-KBPBESRZSA-N 2 1 305.426 0.500 10 0 DCAEMP Cn1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262362862 396130445 /nfs/dbraw/zinc/13/04/45/396130445.db2.gz WPYLHVNHWSUTHA-KBPBESRZSA-N 2 1 305.426 0.500 10 0 DCAEMP C[NH2+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cnn(C)c1 ZINC000262378067 396132897 /nfs/dbraw/zinc/13/28/97/396132897.db2.gz MOLRYKJMIOQMTL-GJZGRUSLSA-N 2 1 305.426 0.767 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389491 396134340 /nfs/dbraw/zinc/13/43/40/396134340.db2.gz XUAQHAQCAYVSRY-HUUCEWRRSA-N 2 1 317.437 0.657 10 0 DCAEMP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263149348 396203857 /nfs/dbraw/zinc/20/38/57/396203857.db2.gz CYSAKTLOKVLMKH-DOMZBBRYSA-N 2 1 302.378 0.755 10 0 DCAEMP CN(CC[N@@H+](C)C1CC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000185149289 396319857 /nfs/dbraw/zinc/31/98/57/396319857.db2.gz OPAKFGXROPFNDE-UHFFFAOYSA-N 2 1 312.458 0.834 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000192801304 396438149 /nfs/dbraw/zinc/43/81/49/396438149.db2.gz HIHQSQWGHLIYEF-KRWDZBQOSA-N 2 1 311.470 0.894 10 0 DCAEMP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000117033898 158170508 /nfs/dbraw/zinc/17/05/08/158170508.db2.gz XAXUAUGEYIDPPU-DZGCQCFKSA-N 2 1 310.442 0.443 10 0 DCAEMP CC[C@](C)(O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000123543318 158231579 /nfs/dbraw/zinc/23/15/79/158231579.db2.gz HEWYDQGANNGFBK-SJORKVTESA-N 2 1 313.486 0.874 10 0 DCAEMP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171900350 158387933 /nfs/dbraw/zinc/38/79/33/158387933.db2.gz KMPOTCJRDRUMBB-INIZCTEOSA-N 2 1 323.485 0.502 10 0 DCAEMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000171900350 158387935 /nfs/dbraw/zinc/38/79/35/158387935.db2.gz KMPOTCJRDRUMBB-INIZCTEOSA-N 2 1 323.485 0.502 10 0 DCAEMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171900350 158387939 /nfs/dbraw/zinc/38/79/39/158387939.db2.gz KMPOTCJRDRUMBB-INIZCTEOSA-N 2 1 323.485 0.502 10 0 DCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000359250344 159256624 /nfs/dbraw/zinc/25/66/24/159256624.db2.gz KGWLYURPUYHGSM-OAHLLOKOSA-N 2 1 324.469 0.601 10 0 DCAEMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000359250344 159256627 /nfs/dbraw/zinc/25/66/27/159256627.db2.gz KGWLYURPUYHGSM-OAHLLOKOSA-N 2 1 324.469 0.601 10 0 DCAEMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000359250344 159256628 /nfs/dbraw/zinc/25/66/28/159256628.db2.gz KGWLYURPUYHGSM-OAHLLOKOSA-N 2 1 324.469 0.601 10 0 DCAEMP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000408214680 160061441 /nfs/dbraw/zinc/06/14/41/160061441.db2.gz OQMKKEZZXFFUSX-KGLIPLIRSA-N 2 1 319.471 0.063 10 0 DCAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096949 415485473 /nfs/dbraw/zinc/48/54/73/415485473.db2.gz BPQXXHCQHSTJEI-TZMCWYRMSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096949 415485479 /nfs/dbraw/zinc/48/54/79/415485479.db2.gz BPQXXHCQHSTJEI-TZMCWYRMSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096949 415485485 /nfs/dbraw/zinc/48/54/85/415485485.db2.gz BPQXXHCQHSTJEI-TZMCWYRMSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000081096949 415485489 /nfs/dbraw/zinc/48/54/89/415485489.db2.gz BPQXXHCQHSTJEI-TZMCWYRMSA-N 2 1 308.426 0.246 10 0 DCAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333725730 415724893 /nfs/dbraw/zinc/72/48/93/415724893.db2.gz VJICMZQVRDLOSA-GJZGRUSLSA-N 2 1 309.458 0.160 10 0 DCAEMP C[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333616855 415698457 /nfs/dbraw/zinc/69/84/57/415698457.db2.gz REPCNJKZFFPOPI-VDERGJSUSA-N 2 1 324.469 0.614 10 0 DCAEMP CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333816633 415745382 /nfs/dbraw/zinc/74/53/82/415745382.db2.gz QKOVQKRQHVUHLA-YHUYYLMFSA-N 2 1 318.421 0.406 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@H]1C ZINC000130723823 415921408 /nfs/dbraw/zinc/92/14/08/415921408.db2.gz SUTJYYVLPRMVQD-RBSFLKMASA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@H]1C ZINC000130723823 415921414 /nfs/dbraw/zinc/92/14/14/415921414.db2.gz SUTJYYVLPRMVQD-RBSFLKMASA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1C ZINC000130723823 415921419 /nfs/dbraw/zinc/92/14/19/415921419.db2.gz SUTJYYVLPRMVQD-RBSFLKMASA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@H]1C ZINC000130723823 415921423 /nfs/dbraw/zinc/92/14/23/415921423.db2.gz SUTJYYVLPRMVQD-RBSFLKMASA-N 2 1 324.469 0.974 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000175760943 416111677 /nfs/dbraw/zinc/11/16/77/416111677.db2.gz IMCBFYXQXOANOS-OAHLLOKOSA-N 2 1 312.458 0.834 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000175766760 416113456 /nfs/dbraw/zinc/11/34/56/416113456.db2.gz MOZKOXGLJKSDHP-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP C(CN1CC[NH+]2CCC[C@@H]2C1)OCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000178664128 416168161 /nfs/dbraw/zinc/16/81/61/416168161.db2.gz FCIWWMPXPPAFDK-HDICACEKSA-N 2 1 322.497 0.563 10 0 DCAEMP C(CN1CC[N@@H+]2CCC[C@@H]2C1)OCCN1CC[NH+]2CCC[C@H]2C1 ZINC000178664128 416168164 /nfs/dbraw/zinc/16/81/64/416168164.db2.gz FCIWWMPXPPAFDK-HDICACEKSA-N 2 1 322.497 0.563 10 0 DCAEMP C(CN1CC[N@H+]2CCC[C@@H]2C1)OCCN1CC[NH+]2CCC[C@H]2C1 ZINC000178664128 416168167 /nfs/dbraw/zinc/16/81/67/416168167.db2.gz FCIWWMPXPPAFDK-HDICACEKSA-N 2 1 322.497 0.563 10 0 DCAEMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000535804379 416532719 /nfs/dbraw/zinc/53/27/19/416532719.db2.gz ZASDHLBWUDYCDK-UHFFFAOYSA-N 2 1 305.426 0.839 10 0 DCAEMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000535804379 416532725 /nfs/dbraw/zinc/53/27/25/416532725.db2.gz ZASDHLBWUDYCDK-UHFFFAOYSA-N 2 1 305.426 0.839 10 0 DCAEMP C[NH+](C)[C@H]1CCN(C(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)C1 ZINC000638274379 417400659 /nfs/dbraw/zinc/40/06/59/417400659.db2.gz HTQJKUPGKYBKJB-HOTGVXAUSA-N 2 1 304.438 0.608 10 0 DCAEMP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000638837540 417565701 /nfs/dbraw/zinc/56/57/01/417565701.db2.gz ZPDROMBBANKNPG-BMFZPTHFSA-N 2 1 305.422 0.844 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CC1(C[N@@H+]2CC[C@@H](CO)[C@H]2C)COC1 ZINC000488742615 272050200 /nfs/dbraw/zinc/05/02/00/272050200.db2.gz FUFNFCNJIJRJDG-WCVJEAGWSA-N 2 1 312.454 0.408 10 0 DCAEMP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263200584 276388658 /nfs/dbraw/zinc/38/86/58/276388658.db2.gz IYKGHKPFNBXOJY-AEFFLSMTSA-N 3 1 318.465 0.498 10 0 DCAEMP CC(=O)[C@](C)(O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000347733600 277100677 /nfs/dbraw/zinc/10/06/77/277100677.db2.gz GKCAHXFPPVOCMZ-BFYDXBDKSA-N 2 1 311.470 0.817 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@H]3CC[N@@H+](C)C[C@@H]31)C2 ZINC000329747876 279161865 /nfs/dbraw/zinc/16/18/65/279161865.db2.gz ZRRAOWLAYKKWHV-BPUTZDHNSA-N 2 1 318.421 0.685 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCO[C@H]3CC[N@H+](C)C[C@@H]31)C2 ZINC000329747876 279161867 /nfs/dbraw/zinc/16/18/67/279161867.db2.gz ZRRAOWLAYKKWHV-BPUTZDHNSA-N 2 1 318.421 0.685 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000184831093 280204267 /nfs/dbraw/zinc/20/42/67/280204267.db2.gz JJSIMWYPFVSTRC-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1C[C@H](C)O ZINC000333798050 280358487 /nfs/dbraw/zinc/35/84/87/280358487.db2.gz HIMUNBZZUYSQKC-RRFJBIMHSA-N 2 1 312.458 0.615 10 0 DCAEMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC000551987766 288255598 /nfs/dbraw/zinc/25/55/98/288255598.db2.gz CTCDEYFLEFBEDL-BNOWGMLFSA-N 2 1 304.394 0.761 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000570950873 333171593 /nfs/dbraw/zinc/17/15/93/333171593.db2.gz KLNDLZJFSPEPOR-UMVBOHGHSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000570950873 333171595 /nfs/dbraw/zinc/17/15/95/333171595.db2.gz KLNDLZJFSPEPOR-UMVBOHGHSA-N 2 1 320.437 0.034 10 0 DCAEMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000570950873 333171597 /nfs/dbraw/zinc/17/15/97/333171597.db2.gz KLNDLZJFSPEPOR-UMVBOHGHSA-N 2 1 320.437 0.034 10 0 DCAEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117044230 522053978 /nfs/dbraw/zinc/05/39/78/522053978.db2.gz BYQGSELYXPHLEQ-ZIAGYGMSSA-N 2 1 300.447 0.689 10 0 DCAEMP CCOCCNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175961193 528760927 /nfs/dbraw/zinc/76/09/27/528760927.db2.gz JKLJJYWTNBXOKC-AWEZNQCLSA-N 2 1 315.458 0.164 10 0 DCAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCS2(=O)=O)CC1 ZINC000929556567 664672010 /nfs/dbraw/zinc/67/20/10/664672010.db2.gz XYDYLXQLANHOEX-ZFWWWQNUSA-N 2 1 318.483 0.588 10 0 DCAEMP C[NH+](C)C[C@H](N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000705322840 667304524 /nfs/dbraw/zinc/30/45/24/667304524.db2.gz APGIHGBCIXHFHI-CVEARBPZSA-N 2 1 304.438 0.656 10 0 DCAEMP Cn1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000397492181 685272529 /nfs/dbraw/zinc/27/25/29/685272529.db2.gz ADSOBRNKXDKMCO-UHFFFAOYSA-N 2 1 315.421 0.932 10 0 DCAEMP C[C@@H]1C[C@H](NS(=O)(=O)C2C[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000405097288 774149998 /nfs/dbraw/zinc/14/99/98/774149998.db2.gz TWDCWYRSRNMRFD-OCCSQVGLSA-N 2 1 309.435 0.541 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247368659 285033640 /nfs/dbraw/zinc/03/36/40/285033640.db2.gz DRDJLPRLCMLLDD-JKSUJKDBSA-N 2 1 324.469 0.977 10 0 DCAEMP NC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000103286447 395773099 /nfs/dbraw/zinc/77/30/99/395773099.db2.gz LYPXDRMPEWXHFC-HNNXBMFYSA-N 2 1 322.453 0.459 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C ZINC000246972159 395962618 /nfs/dbraw/zinc/96/26/18/395962618.db2.gz GBTHDJBTOIUHOR-LSDHHAIUSA-N 2 1 314.474 0.983 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246972159 395962620 /nfs/dbraw/zinc/96/26/20/395962620.db2.gz GBTHDJBTOIUHOR-LSDHHAIUSA-N 2 1 314.474 0.983 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246972159 395962623 /nfs/dbraw/zinc/96/26/23/395962623.db2.gz GBTHDJBTOIUHOR-LSDHHAIUSA-N 2 1 314.474 0.983 10 0 DCAEMP CC(C)[NH+]1CCC(C[N@H+]2CC[C@H](CNC(=O)C3C[NH2+]C3)C2)CC1 ZINC000067785003 396034313 /nfs/dbraw/zinc/03/43/13/396034313.db2.gz KLRMBPFDQYAZFR-MRXNPFEDSA-N 3 1 322.497 0.764 10 0 DCAEMP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2cccn2)cc1 ZINC000261740089 396061352 /nfs/dbraw/zinc/06/13/52/396061352.db2.gz NTYYUBBJWPIFRG-UHFFFAOYSA-N 2 1 313.405 0.736 10 0 DCAEMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(-n2cccn2)cc1 ZINC000261740089 396061354 /nfs/dbraw/zinc/06/13/54/396061354.db2.gz NTYYUBBJWPIFRG-UHFFFAOYSA-N 2 1 313.405 0.736 10 0 DCAEMP C[C@@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000263231932 396207754 /nfs/dbraw/zinc/20/77/54/396207754.db2.gz AXVKGCDALWFPPR-AWEZNQCLSA-N 2 1 302.422 0.533 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262634579 396165089 /nfs/dbraw/zinc/16/50/89/396165089.db2.gz HRXJHQKIEOJCAP-CHWSQXEVSA-N 2 1 310.442 0.221 10 0 DCAEMP CCN1CC[NH+](CCC(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1 ZINC000186539213 396352280 /nfs/dbraw/zinc/35/22/80/396352280.db2.gz YAPFFASEMUEJSZ-OAHLLOKOSA-N 2 1 308.470 0.757 10 0 DCAEMP CC(C)N1CC[NH+](CCCN2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000192736114 396436447 /nfs/dbraw/zinc/43/64/47/396436447.db2.gz DVIZCNXUISSNPC-QGZVFWFLSA-N 2 1 312.502 0.665 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC[C@@H](C)O)C1 ZINC000075781850 158062888 /nfs/dbraw/zinc/06/28/88/158062888.db2.gz IQRSGDLLVDSTNV-CABCVRRESA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC[C@@H](C)O)C1 ZINC000075781850 158062892 /nfs/dbraw/zinc/06/28/92/158062892.db2.gz IQRSGDLLVDSTNV-CABCVRRESA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC[C@@H](C)O)C1 ZINC000075781850 158062894 /nfs/dbraw/zinc/06/28/94/158062894.db2.gz IQRSGDLLVDSTNV-CABCVRRESA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)O)C1 ZINC000114727997 158156041 /nfs/dbraw/zinc/15/60/41/158156041.db2.gz WAVMTLPNQXTMGX-AWEZNQCLSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)O)C1 ZINC000114727997 158156043 /nfs/dbraw/zinc/15/60/43/158156043.db2.gz WAVMTLPNQXTMGX-AWEZNQCLSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)O)C1 ZINC000114727997 158156045 /nfs/dbraw/zinc/15/60/45/158156045.db2.gz WAVMTLPNQXTMGX-AWEZNQCLSA-N 2 1 315.458 0.162 10 0 DCAEMP COC[C@H](C)NC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123620795 158231964 /nfs/dbraw/zinc/23/19/64/158231964.db2.gz ZLNLGHIQMFWZAI-YNEHKIRRSA-N 2 1 314.430 0.262 10 0 DCAEMP CCN(C)C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000130378907 158294370 /nfs/dbraw/zinc/29/43/70/158294370.db2.gz AJSMUNKYXBJRIY-INIZCTEOSA-N 2 1 310.486 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000247404738 287093660 /nfs/dbraw/zinc/09/36/60/287093660.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COC[C@@H]2CCCO2)CC[N@H+]1C ZINC000247404738 287093662 /nfs/dbraw/zinc/09/36/62/287093662.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)CC[NH+]1C ZINC000247404738 287093664 /nfs/dbraw/zinc/09/36/64/287093664.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 2 1 300.443 0.957 10 0 DCAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)CC[NH+]1C ZINC000247404738 287093666 /nfs/dbraw/zinc/09/36/66/287093666.db2.gz XXZVDQKLAMLEMC-FPCVCCKLSA-N 2 1 300.443 0.957 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN[C@@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000333200956 415582294 /nfs/dbraw/zinc/58/22/94/415582294.db2.gz XSTUJDUEIVTAJX-OAHLLOKOSA-N 2 1 304.442 0.460 10 0 DCAEMP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000333719125 415722883 /nfs/dbraw/zinc/72/28/83/415722883.db2.gz UGJOKVCTUMTJJA-LSDHHAIUSA-N 2 1 303.410 0.880 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333923388 415764553 /nfs/dbraw/zinc/76/45/53/415764553.db2.gz SCHRKWCOZQCNJM-LSDHHAIUSA-N 2 1 312.458 0.785 10 0 DCAEMP Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000328634337 416124758 /nfs/dbraw/zinc/12/47/58/416124758.db2.gz MPLXEBMETVUTKY-GFCCVEGCSA-N 2 1 303.366 1.312 10 0 DCAEMP Cc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)no1 ZINC000328634337 416124761 /nfs/dbraw/zinc/12/47/61/416124761.db2.gz MPLXEBMETVUTKY-GFCCVEGCSA-N 2 1 303.366 1.312 10 0 DCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000178728455 416170100 /nfs/dbraw/zinc/17/01/00/416170100.db2.gz MLNGHSHVMYKNFF-QGZVFWFLSA-N 2 1 316.449 0.672 10 0 DCAEMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261555453 416335449 /nfs/dbraw/zinc/33/54/49/416335449.db2.gz UZKRWRXIURDEFI-HNNXBMFYSA-N 2 1 303.406 0.885 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000360169582 416376760 /nfs/dbraw/zinc/37/67/60/416376760.db2.gz FAMXMFFSKZGAPZ-UHFFFAOYSA-N 2 1 324.469 0.603 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000360169582 416376761 /nfs/dbraw/zinc/37/67/61/416376761.db2.gz FAMXMFFSKZGAPZ-UHFFFAOYSA-N 2 1 324.469 0.603 10 0 DCAEMP CCC[NH+](CC)CCNC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000360169582 416376763 /nfs/dbraw/zinc/37/67/63/416376763.db2.gz FAMXMFFSKZGAPZ-UHFFFAOYSA-N 2 1 324.469 0.603 10 0 DCAEMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029796 417131798 /nfs/dbraw/zinc/13/17/98/417131798.db2.gz JGPLVSYNJXJHBM-QLFBSQMISA-N 2 1 319.453 0.679 10 0 DCAEMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000408029796 417131810 /nfs/dbraw/zinc/13/18/10/417131810.db2.gz JGPLVSYNJXJHBM-QLFBSQMISA-N 2 1 319.453 0.679 10 0 DCAEMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000638109468 417335297 /nfs/dbraw/zinc/33/52/97/417335297.db2.gz VOJYHKRERLDNEN-DLBZAZTESA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000638109468 417335301 /nfs/dbraw/zinc/33/53/01/417335301.db2.gz VOJYHKRERLDNEN-DLBZAZTESA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000638109468 417335308 /nfs/dbraw/zinc/33/53/08/417335308.db2.gz VOJYHKRERLDNEN-DLBZAZTESA-N 2 1 316.449 0.752 10 0 DCAEMP CC(C)(C)OC(=O)N1CC(CCO)([NH2+]C[C@H]2CCC[NH2+]C2)C1 ZINC000397951243 262164367 /nfs/dbraw/zinc/16/43/67/262164367.db2.gz LGFVPVLRAPLXPL-ZDUSSCGKSA-N 2 1 313.442 0.948 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000184831060 280204549 /nfs/dbraw/zinc/20/45/49/280204549.db2.gz JJSIMWYPFVSTRC-HUUCEWRRSA-N 2 1 314.474 0.815 10 0 DCAEMP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261948841 282051458 /nfs/dbraw/zinc/05/14/58/282051458.db2.gz NWUPNTLXDRMUCZ-RCCFBDPRSA-N 3 1 324.513 0.759 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262085432 545978237 /nfs/dbraw/zinc/97/82/37/545978237.db2.gz FVTOZGRLLUJPNS-BHYGNILZSA-N 2 1 306.406 0.914 10 0 DCAEMP C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@H]1NC(=O)C[NH+](C)C ZINC000725272099 548750093 /nfs/dbraw/zinc/75/00/93/548750093.db2.gz MLHKMAOZCUZOON-CMPLNLGQSA-N 2 1 311.455 0.614 10 0 DCAEMP C[C@H]1C[N@@H+](Cc2cnc(N)s2)CC[C@@H]1NC(=O)C[NH+](C)C ZINC000725272100 548750140 /nfs/dbraw/zinc/75/01/40/548750140.db2.gz MLHKMAOZCUZOON-JQWIXIFHSA-N 2 1 311.455 0.614 10 0 DCAEMP C[NH2+][C@H](C)CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000261702614 661457776 /nfs/dbraw/zinc/45/77/76/661457776.db2.gz JIMSLAZVYKHMKD-OAHLLOKOSA-N 2 1 304.438 0.528 10 0 DCAEMP C[C@@]12CN(C(=O)COCC[NH3+])C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702069246 666909523 /nfs/dbraw/zinc/90/95/23/666909523.db2.gz IJNURIUKEUWNAZ-FUHWJXTLSA-N 2 1 317.433 0.942 10 0 DCAEMP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702411574 666954806 /nfs/dbraw/zinc/95/48/06/666954806.db2.gz WNIKQYHKTVIVFT-CVEARBPZSA-N 2 1 304.438 0.608 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000708570104 667444260 /nfs/dbraw/zinc/44/42/60/667444260.db2.gz GDCHTSNDRGHILQ-PVAVHDDUSA-N 2 1 318.465 0.760 10 0 DCAEMP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720841276 685315321 /nfs/dbraw/zinc/31/53/21/685315321.db2.gz RHZNSDFMTQYKPE-MXWKQRLJSA-N 2 1 300.321 0.079 10 0 DCAEMP COCCOC[C@H](O)C[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720841276 685315324 /nfs/dbraw/zinc/31/53/24/685315324.db2.gz RHZNSDFMTQYKPE-MXWKQRLJSA-N 2 1 300.321 0.079 10 0 DCAEMP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251739106 685185659 /nfs/dbraw/zinc/18/56/59/685185659.db2.gz KTAFKISHSBFVTH-MCIONIFRSA-N 2 1 301.456 0.627 10 0 DCAEMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000251739106 685185661 /nfs/dbraw/zinc/18/56/61/685185661.db2.gz KTAFKISHSBFVTH-MCIONIFRSA-N 2 1 301.456 0.627 10 0 DCAEMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000405182521 774153064 /nfs/dbraw/zinc/15/30/64/774153064.db2.gz XWZZHIYTTRGSLX-OAHLLOKOSA-N 2 1 323.462 0.742 10 0 DCAEMP CCN(CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)S(C)(=O)=O ZINC000216486137 257132191 /nfs/dbraw/zinc/13/21/91/257132191.db2.gz YISNUKUFRNLWIN-MJBXVCDLSA-N 2 1 305.488 0.976 10 0 DCAEMP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245905687 395938496 /nfs/dbraw/zinc/93/84/96/395938496.db2.gz FFNXCQSIMVUGSI-OAGGEKHMSA-N 2 1 305.422 0.865 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246852716 395959281 /nfs/dbraw/zinc/95/92/81/395959281.db2.gz CEWWPLNMSZCXEO-LSDHHAIUSA-N 2 1 306.410 0.639 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246852716 395959283 /nfs/dbraw/zinc/95/92/83/395959283.db2.gz CEWWPLNMSZCXEO-LSDHHAIUSA-N 2 1 306.410 0.639 10 0 DCAEMP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC000247170763 395967715 /nfs/dbraw/zinc/96/77/15/395967715.db2.gz RBQVQMVXQQUJGA-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)[C@@H](C)C2)C1 ZINC000247170763 395967719 /nfs/dbraw/zinc/96/77/19/395967719.db2.gz RBQVQMVXQQUJGA-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000247170763 395967722 /nfs/dbraw/zinc/96/77/22/395967722.db2.gz RBQVQMVXQQUJGA-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000247170763 395967725 /nfs/dbraw/zinc/96/77/25/395967725.db2.gz RBQVQMVXQQUJGA-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261839864 396071125 /nfs/dbraw/zinc/07/11/25/396071125.db2.gz ZZXZSIHZQORQQH-INIZCTEOSA-N 2 1 305.422 0.737 10 0 DCAEMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000261839864 396071130 /nfs/dbraw/zinc/07/11/30/396071130.db2.gz ZZXZSIHZQORQQH-INIZCTEOSA-N 2 1 305.422 0.737 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1CC ZINC000261866237 396073635 /nfs/dbraw/zinc/07/36/35/396073635.db2.gz NNLYXDKCYHYQBN-CQSZACIVSA-N 2 1 313.442 0.454 10 0 DCAEMP CCOCC[N@H+]1CCN(C(=O)C2([NH3+])CCOCC2)C[C@H]1CC ZINC000261866237 396073638 /nfs/dbraw/zinc/07/36/38/396073638.db2.gz NNLYXDKCYHYQBN-CQSZACIVSA-N 2 1 313.442 0.454 10 0 DCAEMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000261989162 396087768 /nfs/dbraw/zinc/08/77/68/396087768.db2.gz CQVGPKGWZKNSQN-AWEZNQCLSA-N 2 1 310.442 0.141 10 0 DCAEMP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262013218 396089965 /nfs/dbraw/zinc/08/99/65/396089965.db2.gz VTKVORPXYNHMKN-GBJTYRQASA-N 2 1 310.442 0.537 10 0 DCAEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371139 396132146 /nfs/dbraw/zinc/13/21/46/396132146.db2.gz WBLYZVDWSOVNDM-IMJJTQAJSA-N 2 1 319.453 0.714 10 0 DCAEMP C[C@H](CNC(=O)C1C[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000263231934 396207321 /nfs/dbraw/zinc/20/73/21/396207321.db2.gz AXVKGCDALWFPPR-CQSZACIVSA-N 2 1 302.422 0.533 10 0 DCAEMP Cc1nc(C[NH+]2CCC(CNC(=O)C3C[NH2+]C3)CC2)oc1C ZINC000263231927 396207576 /nfs/dbraw/zinc/20/75/76/396207576.db2.gz AXSOYHGWBYHLDX-UHFFFAOYSA-N 2 1 306.410 0.839 10 0 DCAEMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000263270660 396210394 /nfs/dbraw/zinc/21/03/94/396210394.db2.gz SDGMUVDVCPHOGP-HOCLYGCPSA-N 2 1 304.369 0.740 10 0 DCAEMP CC[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1C[C@@H](C)O ZINC000184708582 396302540 /nfs/dbraw/zinc/30/25/40/396302540.db2.gz WPFOPOAVGMHBKD-HIFRSBDPSA-N 2 1 312.458 0.567 10 0 DCAEMP COC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309704604 396757455 /nfs/dbraw/zinc/75/74/55/396757455.db2.gz HGLXVLDYGSACCZ-HZPDHXFCSA-N 2 1 305.422 0.989 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000165173596 158364775 /nfs/dbraw/zinc/36/47/75/158364775.db2.gz RPQHXWDJSGLFCW-UONOGXRCSA-N 2 1 324.469 0.611 10 0 DCAEMP CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000408106587 160037052 /nfs/dbraw/zinc/03/70/52/160037052.db2.gz TYCFPKRADXWHRQ-ZIAGYGMSSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339817 287081602 /nfs/dbraw/zinc/08/16/02/287081602.db2.gz OGFFBASIDYIQJT-CABCVRRESA-N 2 1 317.499 0.932 10 0 DCAEMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339817 287081604 /nfs/dbraw/zinc/08/16/04/287081604.db2.gz OGFFBASIDYIQJT-CABCVRRESA-N 2 1 317.499 0.932 10 0 DCAEMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246339817 287081605 /nfs/dbraw/zinc/08/16/05/287081605.db2.gz OGFFBASIDYIQJT-CABCVRRESA-N 2 1 317.499 0.932 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106915744 415657599 /nfs/dbraw/zinc/65/75/99/415657599.db2.gz KFHGSYTWNAXKPI-INIZCTEOSA-N 2 1 307.438 0.854 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479617 416287148 /nfs/dbraw/zinc/28/71/48/416287148.db2.gz MWXAROWNONMJJS-JKSUJKDBSA-N 2 1 310.486 0.988 10 0 DCAEMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262059851 416335821 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/nfs/dbraw/zinc/64/53/82/521645382.db2.gz NSNYAGMQQJRNJM-CABCVRRESA-N 2 1 312.458 0.738 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262085438 545978300 /nfs/dbraw/zinc/97/83/00/545978300.db2.gz FVTOZGRLLUJPNS-USXIJHARSA-N 2 1 306.406 0.914 10 0 DCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000262570220 662490017 /nfs/dbraw/zinc/49/00/17/662490017.db2.gz XKAMDYHNZWKCSC-SZOQZIPDSA-N 2 1 307.438 0.826 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702390985 666947745 /nfs/dbraw/zinc/94/77/45/666947745.db2.gz KNVPDXUMXYORAA-PVAVHDDUSA-N 2 1 318.465 0.902 10 0 DCAEMP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000702430040 666956245 /nfs/dbraw/zinc/95/62/45/666956245.db2.gz LZLNTXMNINNFGL-IRXDYDNUSA-N 2 1 318.465 0.998 10 0 DCAEMP COCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938357 685238057 /nfs/dbraw/zinc/23/80/57/685238057.db2.gz LDFIQVXXKAVICR-HZPDHXFCSA-N 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ZINC000247371248 285267407 /nfs/dbraw/zinc/26/74/07/285267407.db2.gz NSNYAGMQQJRNJM-GJZGRUSLSA-N 2 1 312.458 0.738 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000247371248 285267410 /nfs/dbraw/zinc/26/74/10/285267410.db2.gz NSNYAGMQQJRNJM-GJZGRUSLSA-N 2 1 312.458 0.738 10 0 DCAEMP C[C@@H](CN1CCOCC1)NC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000194661694 395803498 /nfs/dbraw/zinc/80/34/98/395803498.db2.gz SPFHODKBWUFLCS-AWEZNQCLSA-N 2 1 310.442 0.587 10 0 DCAEMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@H+](C)CC3)ccn2)CC1 ZINC000112403716 395816784 /nfs/dbraw/zinc/81/67/84/395816784.db2.gz HPHZEWUSWKMFOI-UHFFFAOYSA-N 2 1 317.437 0.611 10 0 DCAEMP C[NH+]1CCN(c2cc(C(=O)N3CCC[N@@H+](C)CC3)ccn2)CC1 ZINC000112403716 395816789 /nfs/dbraw/zinc/81/67/89/395816789.db2.gz HPHZEWUSWKMFOI-UHFFFAOYSA-N 2 1 317.437 0.611 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000245704893 395934289 /nfs/dbraw/zinc/93/42/89/395934289.db2.gz DVLOGPNRACHUFH-INIZCTEOSA-N 2 1 316.453 0.508 10 0 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C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000113576567 158149422 /nfs/dbraw/zinc/14/94/22/158149422.db2.gz UFMKLOZQKUCBRY-HUUCEWRRSA-N 2 1 310.442 0.587 10 0 DCAEMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000117470160 158172077 /nfs/dbraw/zinc/17/20/77/158172077.db2.gz MPHCOAVXAPEVAU-OAHLLOKOSA-N 2 1 312.458 0.833 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000171898694 158387440 /nfs/dbraw/zinc/38/74/40/158387440.db2.gz WLCAHEYQJVKAIQ-CVEARBPZSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171898694 158387442 /nfs/dbraw/zinc/38/74/42/158387442.db2.gz WLCAHEYQJVKAIQ-CVEARBPZSA-N 2 1 324.469 0.833 10 0 DCAEMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000171898694 158387443 /nfs/dbraw/zinc/38/74/43/158387443.db2.gz WLCAHEYQJVKAIQ-CVEARBPZSA-N 2 1 324.469 0.833 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000248456449 287097457 /nfs/dbraw/zinc/09/74/57/287097457.db2.gz NNFICODHTXDYBC-GJZGRUSLSA-N 2 1 314.474 0.815 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000248456449 287097458 /nfs/dbraw/zinc/09/74/58/287097458.db2.gz NNFICODHTXDYBC-GJZGRUSLSA-N 2 1 314.474 0.815 10 0 DCAEMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)C1 ZINC000333415534 415641237 /nfs/dbraw/zinc/64/12/37/415641237.db2.gz RVFQQNIGWGPAJY-CQSZACIVSA-N 2 1 310.442 0.492 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000111862673 415702181 /nfs/dbraw/zinc/70/21/81/415702181.db2.gz KROUWOYXADONPY-GJZGRUSLSA-N 2 1 312.458 0.738 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000111862673 415702189 /nfs/dbraw/zinc/70/21/89/415702189.db2.gz KROUWOYXADONPY-GJZGRUSLSA-N 2 1 312.458 0.738 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000111862673 415702195 /nfs/dbraw/zinc/70/21/95/415702195.db2.gz KROUWOYXADONPY-GJZGRUSLSA-N 2 1 312.458 0.738 10 0 DCAEMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333809342 415743649 /nfs/dbraw/zinc/74/36/49/415743649.db2.gz IYWJYFSIHBLFQM-UONOGXRCSA-N 2 1 312.458 0.615 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCOC)[C@H](C)C1 ZINC000128943787 415904890 /nfs/dbraw/zinc/90/48/90/415904890.db2.gz NWSGOMCEUHGQGR-CABCVRRESA-N 2 1 314.474 0.936 10 0 DCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@H+](C)CCOC)[C@H](C)C1 ZINC000128943787 415904891 /nfs/dbraw/zinc/90/48/91/415904891.db2.gz NWSGOMCEUHGQGR-CABCVRRESA-N 2 1 314.474 0.936 10 0 DCAEMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[N@@H+](C)CCOC)[C@H](C)C1 ZINC000128943787 415904896 /nfs/dbraw/zinc/90/48/96/415904896.db2.gz NWSGOMCEUHGQGR-CABCVRRESA-N 2 1 314.474 0.936 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173985897 416070792 /nfs/dbraw/zinc/07/07/92/416070792.db2.gz JVZWFGAEKFOWFM-HNNXBMFYSA-N 2 1 310.442 0.610 10 0 DCAEMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)C[NH+]1CCN(C)CC1 ZINC000174350341 416077702 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10 0 DCAEMP c1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC000372706028 416942640 /nfs/dbraw/zinc/94/26/40/416942640.db2.gz LYYQOAMNISZKMQ-ZIAGYGMSSA-N 2 1 303.410 1.352 10 0 DCAEMP CC1(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[NH2+]C1 ZINC000379474744 417085099 /nfs/dbraw/zinc/08/50/99/417085099.db2.gz NUQZMJUTYTWNST-UHFFFAOYSA-N 2 1 303.406 0.709 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643781200 417354999 /nfs/dbraw/zinc/35/49/99/417354999.db2.gz MGDJKXMGNCHZRT-DJIMGWMZSA-N 2 1 317.433 0.859 10 0 DCAEMP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643774023 417345842 /nfs/dbraw/zinc/34/58/42/417345842.db2.gz FQJJZYOFXIOLDA-IRXDYDNUSA-N 2 1 317.433 0.955 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCN2CCO[C@@H](C)C2)CC1 ZINC000191484884 261137040 /nfs/dbraw/zinc/13/70/40/261137040.db2.gz CUEXXEKXHJBHSK-CVEARBPZSA-N 2 1 313.486 0.732 10 0 DCAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000093639543 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ZINC000702388724 666946544 /nfs/dbraw/zinc/94/65/44/666946544.db2.gz AYVYWBHBARTSNN-KBMXLJTQSA-N 2 1 304.438 0.655 10 0 DCAEMP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000702430043 666955989 /nfs/dbraw/zinc/95/59/89/666955989.db2.gz LZLNTXMNINNFGL-SJORKVTESA-N 2 1 318.465 0.998 10 0 DCAEMP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000380938358 685237431 /nfs/dbraw/zinc/23/74/31/685237431.db2.gz LDFIQVXXKAVICR-JKSUJKDBSA-N 2 1 305.422 0.989 10 0 DCAEMP C[NH+]1CCN(CCCCNC(=O)c2ccccc2C[NH3+])CC1 ZINC000071699797 1173831649 /nfs/dbraw/zinc/83/16/49/1173831649.db2.gz HHYSYLPLQUVTLJ-UHFFFAOYSA-N 2 1 304.438 0.903 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000105174178 285264898 /nfs/dbraw/zinc/26/48/98/285264898.db2.gz BCMAMUCWNHBHIR-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000236625269 395895269 /nfs/dbraw/zinc/89/52/69/395895269.db2.gz XEYWBWAWTWATIY-HOTGVXAUSA-N 2 1 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/nfs/dbraw/zinc/00/79/69/396007969.db2.gz GBDJRYCVFNFJIS-LSDHHAIUSA-N 2 1 301.500 0.812 10 0 DCAEMP CN(C(=O)C1(n2cccn2)CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000262367028 396131108 /nfs/dbraw/zinc/13/11/08/396131108.db2.gz VUQNUYXUIRQPTE-HNNXBMFYSA-N 2 1 317.437 0.657 10 0 DCAEMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185214921 396321667 /nfs/dbraw/zinc/32/16/67/396321667.db2.gz FBAFKHARGIZZBJ-LSDHHAIUSA-N 2 1 314.474 0.815 10 0 DCAEMP CN1CCC[NH+](CCCC[N@@H+]2CCCN(C)C(=O)C2)CC1=O ZINC000191111849 396415727 /nfs/dbraw/zinc/41/57/27/396415727.db2.gz LIZZOPYNUAVGAN-UHFFFAOYSA-N 2 1 310.442 0.095 10 0 DCAEMP O[C@H](CN1CCOCC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887659 158331952 /nfs/dbraw/zinc/33/19/52/158331952.db2.gz ZLKDMMXLUWMVEH-NXHRZFHOSA-N 2 1 323.481 0.628 10 0 DCAEMP O[C@H](CN1CCOCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887659 158331955 /nfs/dbraw/zinc/33/19/55/158331955.db2.gz ZLKDMMXLUWMVEH-NXHRZFHOSA-N 2 1 323.481 0.628 10 0 DCAEMP O[C@H](CN1CCOCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887659 158331957 /nfs/dbraw/zinc/33/19/57/158331957.db2.gz ZLKDMMXLUWMVEH-NXHRZFHOSA-N 2 1 323.481 0.628 10 0 DCAEMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000246340406 287081493 /nfs/dbraw/zinc/08/14/93/287081493.db2.gz OJJSDLMBCRJIRS-IIAWOOMASA-N 2 1 324.469 0.758 10 0 DCAEMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246355176 287081807 /nfs/dbraw/zinc/08/18/07/287081807.db2.gz PLPNSAULLQDFEM-ZIAGYGMSSA-N 2 1 303.472 0.542 10 0 DCAEMP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088654 /nfs/dbraw/zinc/08/86/54/287088654.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 2 1 324.469 0.548 10 0 DCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088657 /nfs/dbraw/zinc/08/86/57/287088657.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 2 1 324.469 0.548 10 0 DCAEMP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCC[NH+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000246879707 287088661 /nfs/dbraw/zinc/08/86/61/287088661.db2.gz FTNLQCQRRIPUAW-XGUBFFRZSA-N 2 1 324.469 0.548 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000333824322 287147534 /nfs/dbraw/zinc/14/75/34/287147534.db2.gz LIWXCBLKRUXWAK-BARDWOONSA-N 2 1 310.442 0.489 10 0 DCAEMP O=C(N[C@H]1CCCC[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000333719073 415722858 /nfs/dbraw/zinc/72/28/58/415722858.db2.gz UGJOKVCTUMTJJA-GJZGRUSLSA-N 2 1 303.410 0.880 10 0 DCAEMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333832287 415744636 /nfs/dbraw/zinc/74/46/36/415744636.db2.gz MRZBCMPRQRKPBK-CQSZACIVSA-N 2 1 312.458 0.881 10 0 DCAEMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333832287 415744647 /nfs/dbraw/zinc/74/46/47/415744647.db2.gz MRZBCMPRQRKPBK-CQSZACIVSA-N 2 1 312.458 0.881 10 0 DCAEMP C[NH+](C)CCn1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000173939407 416069141 /nfs/dbraw/zinc/06/91/41/416069141.db2.gz NTPTYHSKLIGXDY-ZDUSSCGKSA-N 2 1 306.414 0.757 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000175609147 416110783 /nfs/dbraw/zinc/11/07/83/416110783.db2.gz RXKZYKGABZVTDW-LSDHHAIUSA-N 2 1 312.458 0.690 10 0 DCAEMP Cn1cc([C@@H]2C[NH2+]CCN2C(=O)C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000181400502 416205346 /nfs/dbraw/zinc/20/53/46/416205346.db2.gz IZIAFWILOLWVQL-CVEARBPZSA-N 2 1 313.405 0.983 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000247532007 416332963 /nfs/dbraw/zinc/33/29/63/416332963.db2.gz XPMTWMYIBLRHRW-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247532007 416332964 /nfs/dbraw/zinc/33/29/64/416332964.db2.gz XPMTWMYIBLRHRW-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000247532007 416332965 /nfs/dbraw/zinc/33/29/65/416332965.db2.gz XPMTWMYIBLRHRW-GJZGRUSLSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000248998076 416334207 /nfs/dbraw/zinc/33/42/07/416334207.db2.gz MPGFUNJHZRVXBK-NEPJUHHUSA-N 2 1 303.410 0.754 10 0 DCAEMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262540362 276161531 /nfs/dbraw/zinc/16/15/31/276161531.db2.gz QYIFJAVFXAJQJK-ABYLEIOUSA-N 2 1 307.438 0.872 10 0 DCAEMP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245922665 277063103 /nfs/dbraw/zinc/06/31/03/277063103.db2.gz GXNBROHSZDGRFX-YPMHNXCESA-N 2 1 308.382 0.334 10 0 DCAEMP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245922665 277063104 /nfs/dbraw/zinc/06/31/04/277063104.db2.gz GXNBROHSZDGRFX-YPMHNXCESA-N 2 1 308.382 0.334 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106915745 277213304 /nfs/dbraw/zinc/21/33/04/277213304.db2.gz KFHGSYTWNAXKPI-MRXNPFEDSA-N 2 1 307.438 0.854 10 0 DCAEMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263279442 278045286 /nfs/dbraw/zinc/04/52/86/278045286.db2.gz TZLVSMBPKGNOMV-DOMZBBRYSA-N 2 1 302.378 0.551 10 0 DCAEMP CCS(=O)(=O)N(C)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262061712 280006192 /nfs/dbraw/zinc/00/61/92/280006192.db2.gz REMHYTTYDRYRAU-AWEZNQCLSA-N 2 1 303.472 0.732 10 0 DCAEMP O=C(NC[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261829384 661734429 /nfs/dbraw/zinc/73/44/29/661734429.db2.gz KVSWITFIIHWKSC-CABCVRRESA-N 2 1 322.453 0.189 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000702397258 666949297 /nfs/dbraw/zinc/94/92/97/666949297.db2.gz LUIGPBPHKZLMMQ-KBMXLJTQSA-N 2 1 304.438 0.512 10 0 DCAEMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C1C[NH2+]C1 ZINC000405182520 774152748 /nfs/dbraw/zinc/15/27/48/774152748.db2.gz XWZZHIYTTRGSLX-HNNXBMFYSA-N 2 1 323.462 0.742 10 0 DCAEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171921777 530052511 /nfs/dbraw/zinc/05/25/11/530052511.db2.gz OMMMHIQXPNSHIL-SJORKVTESA-N 2 1 321.469 0.346 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171921777 530052512 /nfs/dbraw/zinc/05/25/12/530052512.db2.gz OMMMHIQXPNSHIL-SJORKVTESA-N 2 1 321.469 0.346 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000105147284 194079832 /nfs/dbraw/zinc/07/98/32/194079832.db2.gz IRWZEZJOEJMHEF-OAHLLOKOSA-N 2 1 312.458 0.834 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105147284 194079833 /nfs/dbraw/zinc/07/98/33/194079833.db2.gz IRWZEZJOEJMHEF-OAHLLOKOSA-N 2 1 312.458 0.834 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105147284 194079836 /nfs/dbraw/zinc/07/98/36/194079836.db2.gz IRWZEZJOEJMHEF-OAHLLOKOSA-N 2 1 312.458 0.834 10 0 DCAEMP CC[N@H+]1CC[C@H](N(C)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000262942520 285385128 /nfs/dbraw/zinc/38/51/28/285385128.db2.gz ADCHPSPCRWBPQT-IPYPFGDCSA-N 2 1 312.458 0.275 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000111825190 395814516 /nfs/dbraw/zinc/81/45/16/395814516.db2.gz KTFJNRABFYPQEZ-HOCLYGCPSA-N 2 1 324.469 0.881 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000111825190 395814520 /nfs/dbraw/zinc/81/45/20/395814520.db2.gz KTFJNRABFYPQEZ-HOCLYGCPSA-N 2 1 324.469 0.881 10 0 DCAEMP COCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000111825190 395814524 /nfs/dbraw/zinc/81/45/24/395814524.db2.gz KTFJNRABFYPQEZ-HOCLYGCPSA-N 2 1 324.469 0.881 10 0 DCAEMP CCN1CCN(C(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000245472858 395930413 /nfs/dbraw/zinc/93/04/13/395930413.db2.gz PLVMEURLOOSKBC-JKSUJKDBSA-N 2 1 310.486 0.955 10 0 DCAEMP CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000245472858 395930422 /nfs/dbraw/zinc/93/04/22/395930422.db2.gz PLVMEURLOOSKBC-JKSUJKDBSA-N 2 1 310.486 0.955 10 0 DCAEMP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)CN1CCOCC1 ZINC000163439509 396086530 /nfs/dbraw/zinc/08/65/30/396086530.db2.gz IKDBXZOIUCSBEE-HZPDHXFCSA-N 2 1 324.469 0.834 10 0 DCAEMP COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261982930 396086730 /nfs/dbraw/zinc/08/67/30/396086730.db2.gz RSZWHRNYWAJCJF-VQHPVUNQSA-N 2 1 311.470 0.844 10 0 DCAEMP Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000261979035 396086889 /nfs/dbraw/zinc/08/68/89/396086889.db2.gz JARUACUQWDKXJZ-CYBMUJFWSA-N 2 1 306.410 0.915 10 0 DCAEMP Cn1ccnc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262362875 396130378 /nfs/dbraw/zinc/13/03/78/396130378.db2.gz WPYLHVNHWSUTHA-UONOGXRCSA-N 2 1 305.426 0.500 10 0 DCAEMP Cn1ccnc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262362875 396130381 /nfs/dbraw/zinc/13/03/81/396130381.db2.gz WPYLHVNHWSUTHA-UONOGXRCSA-N 2 1 305.426 0.500 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262416004 396137328 /nfs/dbraw/zinc/13/73/28/396137328.db2.gz ZQCZQNBKFJNZIN-IXDOHACOSA-N 2 1 317.433 0.595 10 0 DCAEMP CC(C)[N@H+]1C[C@H](NC(=O)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000162262939 396079927 /nfs/dbraw/zinc/07/99/27/396079927.db2.gz AKVQMRMGEGONIM-GJZGRUSLSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000162262939 396079928 /nfs/dbraw/zinc/07/99/28/396079928.db2.gz AKVQMRMGEGONIM-GJZGRUSLSA-N 2 1 312.458 0.737 10 0 DCAEMP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261948838 396082572 /nfs/dbraw/zinc/08/25/72/396082572.db2.gz NWUPNTLXDRMUCZ-KZNAEPCWSA-N 3 1 324.513 0.759 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000184859366 396308839 /nfs/dbraw/zinc/30/88/39/396308839.db2.gz SNJOHCAQXBGBSP-HOCLYGCPSA-N 2 1 324.469 0.569 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000184859366 396308841 /nfs/dbraw/zinc/30/88/41/396308841.db2.gz SNJOHCAQXBGBSP-HOCLYGCPSA-N 2 1 324.469 0.569 10 0 DCAEMP CNS(=O)(=O)CCC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646105 396829079 /nfs/dbraw/zinc/82/90/79/396829079.db2.gz SJBREJGVTMWFKO-LBPRGKRZSA-N 2 1 300.428 0.317 10 0 DCAEMP CNS(=O)(=O)CCC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328646105 396829087 /nfs/dbraw/zinc/82/90/87/396829087.db2.gz SJBREJGVTMWFKO-LBPRGKRZSA-N 2 1 300.428 0.317 10 0 DCAEMP CN1CCN(C(=O)C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328640901 396829378 /nfs/dbraw/zinc/82/93/78/396829378.db2.gz QIDQCOSLZNDZEN-CQSZACIVSA-N 2 1 305.426 0.151 10 0 DCAEMP CN1CCN(C(=O)C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328640901 396829381 /nfs/dbraw/zinc/82/93/81/396829381.db2.gz QIDQCOSLZNDZEN-CQSZACIVSA-N 2 1 305.426 0.151 10 0 DCAEMP Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000261979036 292164432 /nfs/dbraw/zinc/16/44/32/292164432.db2.gz JARUACUQWDKXJZ-ZDUSSCGKSA-N 2 1 306.410 0.915 10 0 DCAEMP CC[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)[NH+](C)C ZINC000125157986 158252100 /nfs/dbraw/zinc/25/21/00/158252100.db2.gz DVJMTGSHMLZTCZ-CVEARBPZSA-N 2 1 310.486 0.955 10 0 DCAEMP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899891 158387499 /nfs/dbraw/zinc/38/74/99/158387499.db2.gz UERSJSXEJMAMJS-OWCLPIDISA-N 2 1 324.469 0.975 10 0 DCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899891 158387501 /nfs/dbraw/zinc/38/75/01/158387501.db2.gz UERSJSXEJMAMJS-OWCLPIDISA-N 2 1 324.469 0.975 10 0 DCAEMP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171899891 158387503 /nfs/dbraw/zinc/38/75/03/158387503.db2.gz UERSJSXEJMAMJS-OWCLPIDISA-N 2 1 324.469 0.975 10 0 DCAEMP C[C@H]([NH3+])CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000178626609 158460239 /nfs/dbraw/zinc/46/02/39/158460239.db2.gz HTZXWCPTVBDOPC-HNNXBMFYSA-N 2 1 304.438 0.658 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000367242411 159323910 /nfs/dbraw/zinc/32/39/10/159323910.db2.gz AAMDLNBSXJMIOX-QGZVFWFLSA-N 2 1 310.486 0.419 10 0 DCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000072956142 415419442 /nfs/dbraw/zinc/41/94/42/415419442.db2.gz VPIHVTVWVYKHIO-HUUCEWRRSA-N 2 1 324.469 0.387 10 0 DCAEMP O=C(NCCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079391956 415471139 /nfs/dbraw/zinc/47/11/39/415471139.db2.gz XAQQCNYYHQEVJI-OAHLLOKOSA-N 2 1 324.469 0.882 10 0 DCAEMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333758275 415731156 /nfs/dbraw/zinc/73/11/56/415731156.db2.gz ADJIWQMRNICSHZ-GJZGRUSLSA-N 2 1 311.474 0.454 10 0 DCAEMP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000190683326 416281221 /nfs/dbraw/zinc/28/12/21/416281221.db2.gz GATSDPABCOLERS-SGMGOOAPSA-N 2 1 303.472 0.586 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000191479577 416286920 /nfs/dbraw/zinc/28/69/20/416286920.db2.gz MWXAROWNONMJJS-CVEARBPZSA-N 2 1 310.486 0.988 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000247434834 416332919 /nfs/dbraw/zinc/33/29/19/416332919.db2.gz WXCXXSODAJWLOJ-GJZGRUSLSA-N 2 1 310.442 0.444 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCOCC1 ZINC000247434834 416332920 /nfs/dbraw/zinc/33/29/20/416332920.db2.gz WXCXXSODAJWLOJ-GJZGRUSLSA-N 2 1 310.442 0.444 10 0 DCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788144 417361312 /nfs/dbraw/zinc/36/13/12/417361312.db2.gz QTQQCEORFYRTOG-GOEBONIOSA-N 2 1 305.422 0.859 10 0 DCAEMP COC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000638837541 417566883 /nfs/dbraw/zinc/56/68/83/417566883.db2.gz ZPDROMBBANKNPG-BPUTZDHNSA-N 2 1 305.422 0.844 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488720229 272048597 /nfs/dbraw/zinc/04/85/97/272048597.db2.gz PHLBBTNYUSHDHL-FZKCQIBNSA-N 2 1 300.443 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@H+]1CCOCC[NH+]1CC[C@@H](CO)[C@@H]1C ZINC000488720229 272048599 /nfs/dbraw/zinc/04/85/99/272048599.db2.gz PHLBBTNYUSHDHL-FZKCQIBNSA-N 2 1 300.443 0.408 10 0 DCAEMP C[C@@H]1[C@H](CO)CC[N@@H+]1CCOCC[NH+]1CC[C@@H](CO)[C@@H]1C ZINC000488720229 272048601 /nfs/dbraw/zinc/04/86/01/272048601.db2.gz PHLBBTNYUSHDHL-FZKCQIBNSA-N 2 1 300.443 0.408 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000546590288 288019647 /nfs/dbraw/zinc/01/96/47/288019647.db2.gz PWEIZZUNQGBVPH-UHFFFAOYSA-N 2 1 310.442 0.394 10 0 DCAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cn(CC[NH3+])nn1 ZINC000309795508 546022836 /nfs/dbraw/zinc/02/28/36/546022836.db2.gz IODOPZGHOKMNRH-CYBMUJFWSA-N 2 1 316.409 0.487 10 0 DCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC000333368112 546078861 /nfs/dbraw/zinc/07/88/61/546078861.db2.gz FCWJBJCIQCYBDG-VNHYZAJKSA-N 2 1 318.425 0.369 10 0 DCAEMP C[NH+]1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702842294 667010271 /nfs/dbraw/zinc/01/02/71/667010271.db2.gz MZTUGHHIIJNVLO-OCCSQVGLSA-N 2 1 313.442 0.898 10 0 DCAEMP O=S(=O)(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000390702317 685260788 /nfs/dbraw/zinc/26/07/88/685260788.db2.gz DMNDKDXKTLCZKQ-CVEARBPZSA-N 2 1 323.462 0.932 10 0 DCAEMP COC(=O)Cn1cc(CCN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000154293991 291212759 /nfs/dbraw/zinc/21/27/59/291212759.db2.gz LJFQJXHZVQLCHO-OCCSQVGLSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)nn1 ZINC000154293991 291212760 /nfs/dbraw/zinc/21/27/60/291212760.db2.gz LJFQJXHZVQLCHO-OCCSQVGLSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)nn1 ZINC000154293991 291212761 /nfs/dbraw/zinc/21/27/61/291212761.db2.gz LJFQJXHZVQLCHO-OCCSQVGLSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000154293991 291212762 /nfs/dbraw/zinc/21/27/62/291212762.db2.gz LJFQJXHZVQLCHO-OCCSQVGLSA-N 2 1 309.414 0.408 10 0 DCAEMP COC(=O)Cn1cc(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000154293991 291212763 /nfs/dbraw/zinc/21/27/63/291212763.db2.gz LJFQJXHZVQLCHO-OCCSQVGLSA-N 2 1 309.414 0.408 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000156279369 291224251 /nfs/dbraw/zinc/22/42/51/291224251.db2.gz GKBOGDJKACCBDS-HUUCEWRRSA-N 2 1 314.474 0.984 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247221615 285010547 /nfs/dbraw/zinc/01/05/47/285010547.db2.gz MIWPVTGDVOXECP-ZBFHGGJFSA-N 2 1 324.469 0.975 10 0 DCAEMP COCC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246735052 533018690 /nfs/dbraw/zinc/01/86/90/533018690.db2.gz YPJHRZWPTXCHPD-GOEBONIOSA-N 2 1 320.437 0.644 10 0 DCAEMP [NH3+]Cc1nc(CN2CCC(OCC[NH+]3CCCC3)CC2)no1 ZINC000261819359 396069256 /nfs/dbraw/zinc/06/92/56/396069256.db2.gz SDCBUWGDMNCYGC-UHFFFAOYSA-N 2 1 309.414 0.605 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000252441942 396019270 /nfs/dbraw/zinc/01/92/70/396019270.db2.gz DNQYYWNJAVKHRX-LSDHHAIUSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000252441942 396019271 /nfs/dbraw/zinc/01/92/71/396019271.db2.gz DNQYYWNJAVKHRX-LSDHHAIUSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2CCOC)C1 ZINC000252441942 396019272 /nfs/dbraw/zinc/01/92/72/396019272.db2.gz DNQYYWNJAVKHRX-LSDHHAIUSA-N 2 1 312.458 0.881 10 0 DCAEMP O=C(CCOC1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262059852 396094671 /nfs/dbraw/zinc/09/46/71/396094671.db2.gz VTQIXXYNHSJENM-OAHLLOKOSA-N 2 1 307.369 0.677 10 0 DCAEMP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[N@H+]1C1CC1 ZINC000262119104 396101098 /nfs/dbraw/zinc/10/10/98/396101098.db2.gz FSWPGCLJJWUJQX-ZCDTZLGTSA-N 2 1 317.437 0.465 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000262292010 396118701 /nfs/dbraw/zinc/11/87/01/396118701.db2.gz OUHROPWVMSUELU-XHSDSOJGSA-N 2 1 303.406 0.348 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000262332038 396125477 /nfs/dbraw/zinc/12/54/77/396125477.db2.gz SISAPVXNHMOXRE-CWRNSKLLSA-N 2 1 321.396 0.487 10 0 DCAEMP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000262332038 396125480 /nfs/dbraw/zinc/12/54/80/396125480.db2.gz SISAPVXNHMOXRE-CWRNSKLLSA-N 2 1 321.396 0.487 10 0 DCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262400491 396135953 /nfs/dbraw/zinc/13/59/53/396135953.db2.gz YNCPHCITUHMNRF-CFVMTHIKSA-N 2 1 307.442 0.570 10 0 DCAEMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1C[NH2+]C1 ZINC000263248966 396209510 /nfs/dbraw/zinc/20/95/10/396209510.db2.gz DNNSKXOUNWEDOV-CQSZACIVSA-N 2 1 302.422 0.533 10 0 DCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263066514 396199661 /nfs/dbraw/zinc/19/96/61/396199661.db2.gz WAHZDDVDGJLHTP-PBHICJAKSA-N 2 1 324.469 0.517 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC000192801289 396438016 /nfs/dbraw/zinc/43/80/16/396438016.db2.gz HIHQSQWGHLIYEF-QGZVFWFLSA-N 2 1 311.470 0.894 10 0 DCAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000245413635 287068857 /nfs/dbraw/zinc/06/88/57/287068857.db2.gz BPQXXHCQHSTJEI-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000245413635 287068859 /nfs/dbraw/zinc/06/88/59/287068859.db2.gz BPQXXHCQHSTJEI-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000245413635 287068860 /nfs/dbraw/zinc/06/88/60/287068860.db2.gz BPQXXHCQHSTJEI-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000245413635 287068863 /nfs/dbraw/zinc/06/88/63/287068863.db2.gz BPQXXHCQHSTJEI-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)C1CC1 ZINC000245890775 287074193 /nfs/dbraw/zinc/07/41/93/287074193.db2.gz PSMAOELXKLNUSY-KGLIPLIRSA-N 2 1 312.458 0.567 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000246396258 287082590 /nfs/dbraw/zinc/08/25/90/287082590.db2.gz SUTJYYVLPRMVQD-QLFBSQMISA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C[C@@H]1C ZINC000246396258 287082592 /nfs/dbraw/zinc/08/25/92/287082592.db2.gz SUTJYYVLPRMVQD-QLFBSQMISA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000246396258 287082594 /nfs/dbraw/zinc/08/25/94/287082594.db2.gz SUTJYYVLPRMVQD-QLFBSQMISA-N 2 1 324.469 0.974 10 0 DCAEMP COCC[NH+]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C[C@@H]1C ZINC000246396258 287082596 /nfs/dbraw/zinc/08/25/96/287082596.db2.gz SUTJYYVLPRMVQD-QLFBSQMISA-N 2 1 324.469 0.974 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000333345777 415617733 /nfs/dbraw/zinc/61/77/33/415617733.db2.gz ZFACPTLMHCKHKD-OAHLLOKOSA-N 2 1 324.469 0.881 10 0 DCAEMP COCC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000105193226 415629488 /nfs/dbraw/zinc/62/94/88/415629488.db2.gz KRTKDDPHFQNVKR-INIZCTEOSA-N 2 1 324.469 0.977 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[N@H+]1CCOC ZINC000333488903 415665445 /nfs/dbraw/zinc/66/54/45/415665445.db2.gz DACYOXWHHWIMCF-LSDHHAIUSA-N 2 1 312.458 0.881 10 0 DCAEMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000111867579 415701599 /nfs/dbraw/zinc/70/15/99/415701599.db2.gz DWIWMTSZPGZZDT-OAHLLOKOSA-N 2 1 310.442 0.587 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000111867579 415701605 /nfs/dbraw/zinc/70/16/05/415701605.db2.gz DWIWMTSZPGZZDT-OAHLLOKOSA-N 2 1 310.442 0.587 10 0 DCAEMP C[C@H](CN1CCOCC1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182889275 416232166 /nfs/dbraw/zinc/23/21/66/416232166.db2.gz FHYOBYAQPASRBJ-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H](CN1CCOCC1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182889275 416232170 /nfs/dbraw/zinc/23/21/70/416232170.db2.gz FHYOBYAQPASRBJ-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000191479591 416287375 /nfs/dbraw/zinc/28/73/75/416287375.db2.gz MWXAROWNONMJJS-HOTGVXAUSA-N 2 1 310.486 0.988 10 0 DCAEMP COCC[N@@H+](C)CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000261816182 416335928 /nfs/dbraw/zinc/33/59/28/416335928.db2.gz AFIGBZMUESRWFA-DVOMOZLQSA-N 2 1 313.442 0.213 10 0 DCAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000422982093 416456073 /nfs/dbraw/zinc/45/60/73/416456073.db2.gz VMXIJLVGFVIWIB-QZTJIDSGSA-N 3 1 321.465 0.967 10 0 DCAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000422982093 416456075 /nfs/dbraw/zinc/45/60/75/416456075.db2.gz VMXIJLVGFVIWIB-QZTJIDSGSA-N 3 1 321.465 0.967 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000358665612 261689744 /nfs/dbraw/zinc/68/97/44/261689744.db2.gz MTUJJFXCTMDHBY-HNNXBMFYSA-N 2 1 310.442 0.610 10 0 DCAEMP CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+](C)C ZINC000157859601 520582453 /nfs/dbraw/zinc/58/24/53/520582453.db2.gz MIIGKHBETGPXBJ-GJZGRUSLSA-N 2 1 324.469 0.482 10 0 DCAEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333416118 546081172 /nfs/dbraw/zinc/08/11/72/546081172.db2.gz RXCQEWJDOPOHST-CQSZACIVSA-N 2 1 310.442 0.491 10 0 DCAEMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262146541 662112252 /nfs/dbraw/zinc/11/22/52/662112252.db2.gz HNPHUVZNTYMFLO-OAHLLOKOSA-N 2 1 309.454 0.932 10 0 DCAEMP C[C@@H](CCNC(=O)[C@@H](N)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000702381029 666946921 /nfs/dbraw/zinc/94/69/21/666946921.db2.gz AIELTTKQGGLOHD-HOCLYGCPSA-N 2 1 306.454 0.902 10 0 DCAEMP COCC[C@H]([NH3+])C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389949055 685258435 /nfs/dbraw/zinc/25/84/35/685258435.db2.gz RQDAAJHXHVBQEC-KBMXLJTQSA-N 2 1 305.422 0.987 10 0 DCAEMP C[C@@H]1CN(C(=O)[C@@H](N)c2ccccc2)C[C@H]1N1CCOCC1 ZINC000252671446 685187070 /nfs/dbraw/zinc/18/70/70/685187070.db2.gz VUHWZIQZYYNTRB-BMFZPTHFSA-N 2 1 303.406 0.866 10 0 DCAEMP O=S(=O)(C1C[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000405157346 774151920 /nfs/dbraw/zinc/15/19/20/774151920.db2.gz UIZNGTYEMQVXMB-UHFFFAOYSA-N 2 1 309.435 0.496 10 0 DCAEMP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000261841393 282125741 /nfs/dbraw/zinc/12/57/41/282125741.db2.gz AJKIMEYMRPNRAB-KBUPBQIOSA-N 2 1 305.426 0.648 10 0 DCAEMP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000082134597 192360416 /nfs/dbraw/zinc/36/04/16/192360416.db2.gz QXUJPXHORUDKDZ-QGZVFWFLSA-N 2 1 317.433 0.662 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000262373726 285031803 /nfs/dbraw/zinc/03/18/03/285031803.db2.gz MMUXQCIGPMEXNO-AWEZNQCLSA-N 2 1 313.442 0.230 10 0 DCAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690906 395933720 /nfs/dbraw/zinc/93/37/20/395933720.db2.gz BKKDFDBCEIPETG-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690906 395933724 /nfs/dbraw/zinc/93/37/24/395933724.db2.gz BKKDFDBCEIPETG-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000245690906 395933729 /nfs/dbraw/zinc/93/37/29/395933729.db2.gz BKKDFDBCEIPETG-GXTWGEPZSA-N 2 1 308.426 0.246 10 0 DCAEMP CC(C)[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170828080 396098489 /nfs/dbraw/zinc/09/84/89/396098489.db2.gz HUXVKZTXYNIYDC-HUUCEWRRSA-N 2 1 312.458 0.689 10 0 DCAEMP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C[NH+]1CCOCC1 ZINC000175181544 396139755 /nfs/dbraw/zinc/13/97/55/396139755.db2.gz VSBRYEFIUDQEGX-CVEARBPZSA-N 2 1 322.453 0.610 10 0 DCAEMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261938407 396081423 /nfs/dbraw/zinc/08/14/23/396081423.db2.gz MNJARWUEBCCMHN-TVFCKZIOSA-N 3 1 324.513 0.759 10 0 DCAEMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000261950322 396083211 /nfs/dbraw/zinc/08/32/11/396083211.db2.gz LMRXJNGGZCSXCJ-DZGCQCFKSA-N 2 1 305.378 0.157 10 0 DCAEMP CC(C)C(=O)N[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000261955376 396084359 /nfs/dbraw/zinc/08/43/59/396084359.db2.gz ABRSGHBTLJYHDN-AWEZNQCLSA-N 2 1 310.442 0.045 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262753177 396178633 /nfs/dbraw/zinc/17/86/33/396178633.db2.gz HAYYHXLXXAFBEV-QWHCGFSZSA-N 2 1 301.456 0.309 10 0 DCAEMP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000309738741 396759485 /nfs/dbraw/zinc/75/94/85/396759485.db2.gz RGZYBRACNGJOAR-HZPDHXFCSA-N 2 1 303.406 0.613 10 0 DCAEMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000309738741 396759489 /nfs/dbraw/zinc/75/94/89/396759489.db2.gz RGZYBRACNGJOAR-HZPDHXFCSA-N 2 1 303.406 0.613 10 0 DCAEMP CCS(=O)(=O)NCC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328632281 396827396 /nfs/dbraw/zinc/82/73/96/396827396.db2.gz LHOMAGHPEJQYTE-LBPRGKRZSA-N 2 1 300.428 0.317 10 0 DCAEMP CCS(=O)(=O)NCC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328632281 396827398 /nfs/dbraw/zinc/82/73/98/396827398.db2.gz LHOMAGHPEJQYTE-LBPRGKRZSA-N 2 1 300.428 0.317 10 0 DCAEMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](CCO)C(C)C)C1 ZINC000078719753 158074652 /nfs/dbraw/zinc/07/46/52/158074652.db2.gz FIRLVNHRMSAZBB-OAHLLOKOSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](CCO)C(C)C)C1 ZINC000078719753 158074654 /nfs/dbraw/zinc/07/46/54/158074654.db2.gz FIRLVNHRMSAZBB-OAHLLOKOSA-N 2 1 315.458 0.162 10 0 DCAEMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](CCO)C(C)C)C1 ZINC000078719753 158074655 /nfs/dbraw/zinc/07/46/55/158074655.db2.gz FIRLVNHRMSAZBB-OAHLLOKOSA-N 2 1 315.458 0.162 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129954067 158292311 /nfs/dbraw/zinc/29/23/11/158292311.db2.gz IHHCNXWNEAJGSN-CABCVRRESA-N 2 1 312.458 0.690 10 0 DCAEMP C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000133982647 158322876 /nfs/dbraw/zinc/32/28/76/158322876.db2.gz QDDACOSFMHXEFL-MCIONIFRSA-N 2 1 313.467 0.261 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000165940625 158366074 /nfs/dbraw/zinc/36/60/74/158366074.db2.gz PWDOEFCHZNFNFB-CYBMUJFWSA-N 2 1 320.441 0.725 10 0 DCAEMP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000408214682 160061565 /nfs/dbraw/zinc/06/15/65/160061565.db2.gz OQMKKEZZXFFUSX-ZIAGYGMSSA-N 2 1 319.471 0.063 10 0 DCAEMP C[NH+]1CCN(c2ncc(CN[C@H]3CCCC[NH2+]C3)cn2)CC1 ZINC000333200955 415582322 /nfs/dbraw/zinc/58/23/22/415582322.db2.gz XSTUJDUEIVTAJX-HNNXBMFYSA-N 2 1 304.442 0.460 10 0 DCAEMP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119722237 415751732 /nfs/dbraw/zinc/75/17/32/415751732.db2.gz RHVILYDQLNOPRZ-AWEZNQCLSA-N 2 1 319.515 0.625 10 0 DCAEMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119722237 415751740 /nfs/dbraw/zinc/75/17/40/415751740.db2.gz RHVILYDQLNOPRZ-AWEZNQCLSA-N 2 1 319.515 0.625 10 0 DCAEMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000173273239 416055988 /nfs/dbraw/zinc/05/59/88/416055988.db2.gz MFDTTZFEFXKYSJ-JKSUJKDBSA-N 2 1 324.469 0.977 10 0 DCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCOCC1 ZINC000173273239 416055991 /nfs/dbraw/zinc/05/59/91/416055991.db2.gz MFDTTZFEFXKYSJ-JKSUJKDBSA-N 2 1 324.469 0.977 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180988946 416203341 /nfs/dbraw/zinc/20/33/41/416203341.db2.gz OSKZEJWDPQUJBX-KRWDZBQOSA-N 2 1 324.469 0.625 10 0 DCAEMP CC1=CC[N@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000358194633 416209192 /nfs/dbraw/zinc/20/91/92/416209192.db2.gz SECFMGWGRHOHMM-MRXNPFEDSA-N 2 1 324.469 0.906 10 0 DCAEMP CC1=CC[N@@H+](CCNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000358194633 416209195 /nfs/dbraw/zinc/20/91/95/416209195.db2.gz SECFMGWGRHOHMM-MRXNPFEDSA-N 2 1 324.469 0.906 10 0 DCAEMP O=C(CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000178453727 416165088 /nfs/dbraw/zinc/16/50/88/416165088.db2.gz RWZXQVWMFGSTIV-MRXNPFEDSA-N 2 1 302.422 0.282 10 0 DCAEMP O=C(NCc1ccc(CN2CCOCC2)cc1)[C@H]1COCC[NH2+]1 ZINC000238056603 416329819 /nfs/dbraw/zinc/32/98/19/416329819.db2.gz WBHIGPNXKCWNIR-MRXNPFEDSA-N 2 1 319.405 0.123 10 0 DCAEMP C[C@@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000246108774 416331627 /nfs/dbraw/zinc/33/16/27/416331627.db2.gz JKLRESDPYNHMHN-YCPHGPKFSA-N 2 1 324.469 0.831 10 0 DCAEMP C[C@@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)C1CC1 ZINC000246108774 416331628 /nfs/dbraw/zinc/33/16/28/416331628.db2.gz JKLRESDPYNHMHN-YCPHGPKFSA-N 2 1 324.469 0.831 10 0 DCAEMP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000535260895 416519496 /nfs/dbraw/zinc/51/94/96/416519496.db2.gz HYSQPENNROJVSG-LSDHHAIUSA-N 2 1 303.410 0.841 10 0 DCAEMP C[N@@H+](CCCNC(=O)[C@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649281597 418221559 /nfs/dbraw/zinc/22/15/59/418221559.db2.gz VQFQRQCHEKHSNV-INIZCTEOSA-N 2 1 305.422 0.861 10 0 DCAEMP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261948835 282051468 /nfs/dbraw/zinc/05/14/68/282051468.db2.gz NWUPNTLXDRMUCZ-KURKYZTESA-N 3 1 324.513 0.759 10 0 DCAEMP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000262409038 294301621 /nfs/dbraw/zinc/30/16/21/294301621.db2.gz ZAZKNVAJXRNOFZ-QXSJWSMHSA-N 2 1 317.437 0.466 10 0 DCAEMP C[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000702398258 666944868 /nfs/dbraw/zinc/94/48/68/666944868.db2.gz XJOBYLQNYJQMFC-WBVHZDCISA-N 2 1 318.465 0.998 10 0 DCAEMP C[NH+]1CCC(O)(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000397576631 685273687 /nfs/dbraw/zinc/27/36/87/685273687.db2.gz CIDOWWYEGNTSGF-UHFFFAOYSA-N 2 1 303.204 0.719 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CC1CC[NH2+]CC1 ZINC000251748769 685185643 /nfs/dbraw/zinc/18/56/43/685185643.db2.gz LFLCKFOIRIGAGY-JSGCOSHPSA-N 2 1 301.456 0.484 10 0 DCAEMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333595241 252741101 /nfs/dbraw/zinc/74/11/01/252741101.db2.gz BKNNFXXBXJPEAM-SEBNEYGDSA-N 2 1 312.458 0.327 10 0 DCAEMP CCCNC(=O)CN(C)C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245448779 395930156 /nfs/dbraw/zinc/93/01/56/395930156.db2.gz NDHBOWPNAFZNRD-UONOGXRCSA-N 2 1 312.458 0.386 10 0 DCAEMP C[NH+](C)CCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000244160064 395924192 /nfs/dbraw/zinc/92/41/92/395924192.db2.gz UXKFUARCLXZUHO-UHFFFAOYSA-N 2 1 318.465 0.872 10 0 DCAEMP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119722454 395875202 /nfs/dbraw/zinc/87/52/02/395875202.db2.gz RHVILYDQLNOPRZ-CQSZACIVSA-N 2 1 319.515 0.625 10 0 DCAEMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC000119722454 395875204 /nfs/dbraw/zinc/87/52/04/395875204.db2.gz RHVILYDQLNOPRZ-CQSZACIVSA-N 2 1 319.515 0.625 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000247189441 395968848 /nfs/dbraw/zinc/96/88/48/395968848.db2.gz LFRMMPDOIJAPDC-HOTGVXAUSA-N 2 1 324.469 0.977 10 0 DCAEMP CC1(C)COCCN1CCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000247224772 395969432 /nfs/dbraw/zinc/96/94/32/395969432.db2.gz CGDAKRMLCJPRHW-AWEZNQCLSA-N 2 1 310.442 0.587 10 0 DCAEMP COCCN1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000247224834 395970000 /nfs/dbraw/zinc/97/00/00/395970000.db2.gz VWHIIGYVPOOJGX-HUUCEWRRSA-N 2 1 324.469 0.833 10 0 DCAEMP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000247224834 395970002 /nfs/dbraw/zinc/97/00/02/395970002.db2.gz VWHIIGYVPOOJGX-HUUCEWRRSA-N 2 1 324.469 0.833 10 0 DCAEMP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H]1C ZINC000247224834 395970005 /nfs/dbraw/zinc/97/00/05/395970005.db2.gz VWHIIGYVPOOJGX-HUUCEWRRSA-N 2 1 324.469 0.833 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000247224834 395970006 /nfs/dbraw/zinc/97/00/06/395970006.db2.gz VWHIIGYVPOOJGX-HUUCEWRRSA-N 2 1 324.469 0.833 10 0 DCAEMP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000247224834 395970008 /nfs/dbraw/zinc/97/00/08/395970008.db2.gz VWHIIGYVPOOJGX-HUUCEWRRSA-N 2 1 324.469 0.833 10 0 DCAEMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000247309336 395971544 /nfs/dbraw/zinc/97/15/44/395971544.db2.gz NXQDKLBXTFTMLT-OWCLPIDISA-N 2 1 323.485 0.500 10 0 DCAEMP C[N@H+]1CCC[C@H]2CN(S(=O)(=O)CC[NH+]3CCCC3)CC[C@H]21 ZINC000248962683 396000977 /nfs/dbraw/zinc/00/09/77/396000977.db2.gz NACVNLXDGONSHW-LSDHHAIUSA-N 2 1 315.483 0.828 10 0 DCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C ZINC000252671499 396024379 /nfs/dbraw/zinc/02/43/79/396024379.db2.gz VYCWVLWTOQMMBI-YXMSTPNBSA-N 2 1 309.454 0.821 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C ZINC000252671499 396024382 /nfs/dbraw/zinc/02/43/82/396024382.db2.gz VYCWVLWTOQMMBI-YXMSTPNBSA-N 2 1 309.454 0.821 10 0 DCAEMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261661113 396053368 /nfs/dbraw/zinc/05/33/68/396053368.db2.gz GHCVMERYAWRFJA-AWEZNQCLSA-N 2 1 318.421 0.720 10 0 DCAEMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261661113 396053370 /nfs/dbraw/zinc/05/33/70/396053370.db2.gz GHCVMERYAWRFJA-AWEZNQCLSA-N 2 1 318.421 0.720 10 0 DCAEMP CC[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000262271069 396116459 /nfs/dbraw/zinc/11/64/59/396116459.db2.gz NAOCALQXINXXMN-ZIAGYGMSSA-N 2 1 313.442 0.046 10 0 DCAEMP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000262431663 396139417 /nfs/dbraw/zinc/13/94/17/396139417.db2.gz RTKOFNNYMPDGFL-HZPDHXFCSA-N 2 1 303.406 0.096 10 0 DCAEMP CNC(=O)c1ccn([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261943041 396081399 /nfs/dbraw/zinc/08/13/99/396081399.db2.gz FAFBNPYXSDOPSD-BBRMVZONSA-N 2 1 305.426 0.879 10 0 DCAEMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000261940928 396081992 /nfs/dbraw/zinc/08/19/92/396081992.db2.gz XKJWCEFMRDQIPN-BETUJISGSA-N 2 1 313.442 0.498 10 0 DCAEMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000261940928 396081994 /nfs/dbraw/zinc/08/19/94/396081994.db2.gz XKJWCEFMRDQIPN-BETUJISGSA-N 2 1 313.442 0.498 10 0 DCAEMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000263188006 396205034 /nfs/dbraw/zinc/20/50/34/396205034.db2.gz HOZJZIIUVLMYEI-DGCLKSJQSA-N 2 1 316.361 0.475 10 0 DCAEMP CSc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)OCCO2 ZINC000263189049 396205186 /nfs/dbraw/zinc/20/51/86/396205186.db2.gz HQZBSTXWIIHBCW-NEPJUHHUSA-N 2 1 310.419 0.850 10 0 DCAEMP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178287926 396193186 /nfs/dbraw/zinc/19/31/86/396193186.db2.gz FSVOKYFKBYZIFO-AWEZNQCLSA-N 2 1 322.409 0.677 10 0 DCAEMP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178287926 396193192 /nfs/dbraw/zinc/19/31/92/396193192.db2.gz FSVOKYFKBYZIFO-AWEZNQCLSA-N 2 1 322.409 0.677 10 0 DCAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000178313638 396194068 /nfs/dbraw/zinc/19/40/68/396194068.db2.gz MCBSGBMMQZHRQM-CABCVRRESA-N 2 1 306.410 0.951 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000178313638 396194076 /nfs/dbraw/zinc/19/40/76/396194076.db2.gz MCBSGBMMQZHRQM-CABCVRRESA-N 2 1 306.410 0.951 10 0 DCAEMP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000181888345 396242928 /nfs/dbraw/zinc/24/29/28/396242928.db2.gz FZVHIWNRGPXEEH-OAHLLOKOSA-N 2 1 314.474 0.816 10 0 DCAEMP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000181888345 396242930 /nfs/dbraw/zinc/24/29/30/396242930.db2.gz FZVHIWNRGPXEEH-OAHLLOKOSA-N 2 1 314.474 0.816 10 0 DCAEMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1C[NH2+]C1 ZINC000263329774 396214397 /nfs/dbraw/zinc/21/43/97/396214397.db2.gz UPCNNGHJXBCTRZ-UHFFFAOYSA-N 2 1 322.840 0.798 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000184693319 396302278 /nfs/dbraw/zinc/30/22/78/396302278.db2.gz LNSCVUWQDCLEOQ-OAHLLOKOSA-N 2 1 314.474 0.816 10 0 DCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000189438556 396395473 /nfs/dbraw/zinc/39/54/73/396395473.db2.gz CCFYBFHAJPXKIW-LSDHHAIUSA-N 2 1 315.483 0.971 10 0 DCAEMP C[NH2+]CCOCC[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000629570078 396791423 /nfs/dbraw/zinc/79/14/23/396791423.db2.gz UMKVHJISEOVSIW-UHFFFAOYSA-N 2 1 319.405 0.841 10 0 DCAEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000376020240 396863315 /nfs/dbraw/zinc/86/33/15/396863315.db2.gz UMPIPIGRUAJHPM-UHFFFAOYSA-N 3 1 323.485 0.840 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000117468555 158172210 /nfs/dbraw/zinc/17/22/10/158172210.db2.gz LSHSEPZOWLLWQD-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000117468555 158172212 /nfs/dbraw/zinc/17/22/12/158172212.db2.gz LSHSEPZOWLLWQD-AWEZNQCLSA-N 2 1 300.447 0.690 10 0 DCAEMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCN(C)CC1 ZINC000121027628 158206821 /nfs/dbraw/zinc/20/68/21/158206821.db2.gz LFQOCJPLQOITLV-HNNXBMFYSA-N 2 1 319.453 0.948 10 0 DCAEMP Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N1CCN(C)CC1 ZINC000121027628 158206822 /nfs/dbraw/zinc/20/68/22/158206822.db2.gz LFQOCJPLQOITLV-HNNXBMFYSA-N 2 1 319.453 0.948 10 0 DCAEMP Cn1cc[nH+]c1CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000171600293 158383954 /nfs/dbraw/zinc/38/39/54/158383954.db2.gz DWIUSLUEIZLFKK-UHFFFAOYSA-N 2 1 300.428 0.353 10 0 DCAEMP CCOc1c(OC)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263243112 158865010 /nfs/dbraw/zinc/86/50/10/158865010.db2.gz OXJIGUJFZHYUDN-OLZOCXBDSA-N 2 1 310.394 0.772 10 0 DCAEMP CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000408106584 160037175 /nfs/dbraw/zinc/03/71/75/160037175.db2.gz TYCFPKRADXWHRQ-KGLIPLIRSA-N 2 1 312.458 0.567 10 0 DCAEMP CC[NH+](CC)CCS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000408214681 160061576 /nfs/dbraw/zinc/06/15/76/160061576.db2.gz OQMKKEZZXFFUSX-UONOGXRCSA-N 2 1 319.471 0.063 10 0 DCAEMP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)cn1 ZINC000333281826 415601549 /nfs/dbraw/zinc/60/15/49/415601549.db2.gz MOTJNTGDOBLLFP-GDBMZVCRSA-N 2 1 319.453 0.793 10 0 DCAEMP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)cn1 ZINC000333281826 415601552 /nfs/dbraw/zinc/60/15/52/415601552.db2.gz MOTJNTGDOBLLFP-GDBMZVCRSA-N 2 1 319.453 0.793 10 0 DCAEMP COCC[N@@H+](C)CCCNC(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C ZINC000113595640 415720287 /nfs/dbraw/zinc/72/02/87/415720287.db2.gz XPMTWMYIBLRHRW-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113595640 415720294 /nfs/dbraw/zinc/72/02/94/415720294.db2.gz XPMTWMYIBLRHRW-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP COCC[NH+](C)CCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113595640 415720301 /nfs/dbraw/zinc/72/03/01/415720301.db2.gz XPMTWMYIBLRHRW-HUUCEWRRSA-N 2 1 312.458 0.833 10 0 DCAEMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000130228224 415918074 /nfs/dbraw/zinc/91/80/74/415918074.db2.gz VIBLOOCFKJIKSP-JSGCOSHPSA-N 2 1 303.472 0.588 10 0 DCAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C)OCCCO3)cn2)CC1 ZINC000192247893 416303693 /nfs/dbraw/zinc/30/36/93/416303693.db2.gz HRZIQGNVVUUFCC-UHFFFAOYSA-N 2 1 321.425 0.471 10 0 DCAEMP CC(C)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+]1CCOCC1 ZINC000261846885 416336059 /nfs/dbraw/zinc/33/60/59/416336059.db2.gz RAYUFMUNEDSKKI-LSDHHAIUSA-N 2 1 313.442 0.213 10 0 DCAEMP CC[NH+]1CCC(CCNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000545176492 416666167 /nfs/dbraw/zinc/66/61/67/416666167.db2.gz CIHIUMYSKICKJX-INIZCTEOSA-N 2 1 312.458 0.474 10 0 DCAEMP NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000368569736 416669561 /nfs/dbraw/zinc/66/95/61/416669561.db2.gz ODSUTCAKXOXMMB-GJZGRUSLSA-N 2 1 318.421 0.218 10 0 DCAEMP NC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000368569736 416669565 /nfs/dbraw/zinc/66/95/65/416669565.db2.gz ODSUTCAKXOXMMB-GJZGRUSLSA-N 2 1 318.421 0.218 10 0 DCAEMP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@H]2C1 ZINC000551987768 288255619 /nfs/dbraw/zinc/25/56/19/288255619.db2.gz CTCDEYFLEFBEDL-XBFCOCLRSA-N 2 1 304.394 0.761 10 0 DCAEMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000261950324 295411907 /nfs/dbraw/zinc/41/19/07/295411907.db2.gz LMRXJNGGZCSXCJ-HIFRSBDPSA-N 2 1 305.378 0.157 10 0 DCAEMP C[C@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)C[NH+]1CCOCC1 ZINC000333495645 298700696 /nfs/dbraw/zinc/70/06/96/298700696.db2.gz CUESDMXCJWDZOZ-OAHLLOKOSA-N 2 1 324.469 0.740 10 0 DCAEMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261674693 545976777 /nfs/dbraw/zinc/97/67/77/545976777.db2.gz GIGRMKWCVXXSET-UONOGXRCSA-N 2 1 310.442 0.126 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000333677160 546088407 /nfs/dbraw/zinc/08/84/07/546088407.db2.gz OERFKZBXTDPSFJ-KLHDSHLOSA-N 2 1 324.469 0.737 10 0 DCAEMP [NH3+]C[C@@H]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000178526954 661104592 /nfs/dbraw/zinc/10/45/92/661104592.db2.gz NMESREULGAHXTB-KRWDZBQOSA-N 2 1 316.449 0.611 10 0 DCAEMP C(c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1)[C@H]1CSCC[NH2+]1 ZINC000227578155 664536366 /nfs/dbraw/zinc/53/63/66/664536366.db2.gz XHQMTUXBQUBGFX-QJPTWQEYSA-N 2 1 310.423 0.853 10 0 DCAEMP C(c1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1)[C@H]1CSCC[NH2+]1 ZINC000227578155 664536367 /nfs/dbraw/zinc/53/63/67/664536367.db2.gz XHQMTUXBQUBGFX-QJPTWQEYSA-N 2 1 310.423 0.853 10 0 DCAEMP CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000702411576 666954492 /nfs/dbraw/zinc/95/44/92/666954492.db2.gz WNIKQYHKTVIVFT-HOTGVXAUSA-N 2 1 304.438 0.608 10 0 DCAEMP C[N@H+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CCC1(C)C ZINC000712629983 670149758 /nfs/dbraw/zinc/14/97/58/670149758.db2.gz YPSSMYNADVXMLY-UHFFFAOYSA-N 2 1 303.472 0.732 10 0 DCAEMP Cc1c[nH+]c(N)nc1N1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000091757373 193102761 /nfs/dbraw/zinc/10/27/61/193102761.db2.gz DGALUHALROHASW-UHFFFAOYSA-N 2 1 304.398 0.158 10 0 DCAEMP Cc1c[nH+]c(N)nc1N1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000091757373 193102762 /nfs/dbraw/zinc/10/27/62/193102762.db2.gz DGALUHALROHASW-UHFFFAOYSA-N 2 1 304.398 0.158 10 0 DCAEMP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000105134321 194078498 /nfs/dbraw/zinc/07/84/98/194078498.db2.gz LATLKYGGLOKMAV-CQSZACIVSA-N 2 1 312.458 0.881 10 0 DCAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)N(C)CC2CC2)CC1 ZINC000105862638 194150269 /nfs/dbraw/zinc/15/02/69/194150269.db2.gz UDXOHXPHXQTNCP-CQSZACIVSA-N 2 1 311.470 0.879 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111868067 285023154 /nfs/dbraw/zinc/02/31/54/285023154.db2.gz DRDJLPRLCMLLDD-CVEARBPZSA-N 2 1 324.469 0.977 10 0 DCAEMP CC[N@@H+](CCNC(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000101982166 395768506 /nfs/dbraw/zinc/76/85/06/395768506.db2.gz LCSOJRYBAONHRC-UHFFFAOYSA-N 2 1 312.458 0.882 10 0 DCAEMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000237005685 395900771 /nfs/dbraw/zinc/90/07/71/395900771.db2.gz MUYWQDSGXJQVFI-IHRRRGAJSA-N 2 1 310.442 0.125 10 0 DCAEMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000245396372 395927149 /nfs/dbraw/zinc/92/71/49/395927149.db2.gz KZVCXDSNDSMUNJ-LSDHHAIUSA-N 2 1 314.474 0.863 10 0 DCAEMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247001527 395963546 /nfs/dbraw/zinc/96/35/46/395963546.db2.gz GQSZHEPGXJRJQU-GJZGRUSLSA-N 2 1 312.458 0.690 10 0 DCAEMP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)CN1CC[NH+](C)CC1 ZINC000247028683 395964547 /nfs/dbraw/zinc/96/45/47/395964547.db2.gz PPBSJXKPJXPRIY-HOTGVXAUSA-N 2 1 323.485 0.360 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2CCC[C@H]2C1 ZINC000247488065 395975436 /nfs/dbraw/zinc/97/54/36/395975436.db2.gz LCBHCPFVVGGJBR-GJZGRUSLSA-N 2 1 310.442 0.587 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262096323 396098917 /nfs/dbraw/zinc/09/89/17/396098917.db2.gz DKSZRTOEWBSHIV-ZNMIVQPWSA-N 2 1 305.426 0.324 10 0 DCAEMP CC(C)OCC[NH+]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262105333 396099888 /nfs/dbraw/zinc/09/98/88/396099888.db2.gz FAJAQFIHFXBPBA-UHFFFAOYSA-N 2 1 313.442 0.311 10 0 DCAEMP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000262271067 396116639 /nfs/dbraw/zinc/11/66/39/396116639.db2.gz NAOCALQXINXXMN-KGLIPLIRSA-N 2 1 313.442 0.046 10 0 DCAEMP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccco1 ZINC000261923401 396080251 /nfs/dbraw/zinc/08/02/51/396080251.db2.gz KQVAGUOHNVRJFN-MCIONIFRSA-N 2 1 307.394 0.756 10 0 DCAEMP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263208269 396206174 /nfs/dbraw/zinc/20/61/74/396206174.db2.gz JYOLZDFTPXHJHG-NJZAAPMLSA-N 2 1 308.378 0.297 10 0 DCAEMP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262492595 396146885 /nfs/dbraw/zinc/14/68/85/396146885.db2.gz ZQDRTIWZSSOCFS-PMPSAXMXSA-N 2 1 310.486 0.764 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000263266827 396210005 /nfs/dbraw/zinc/21/00/05/396210005.db2.gz VNHSWFCUQJPAIS-ZBFHGGJFSA-N 2 1 324.469 0.467 10 0 DCAEMP CC[N@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000262572386 396156631 /nfs/dbraw/zinc/15/66/31/396156631.db2.gz XPTMFVOLYKRTID-VMUDFCTBSA-N 2 1 309.454 0.977 10 0 DCAEMP O=C([C@H]1CC(F)(F)CN1)N1CC[C@H](CN2CCOCC2)C1 ZINC000263281712 396210987 /nfs/dbraw/zinc/21/09/87/396210987.db2.gz UJHZKWVQFXMGDP-VXGBXAGGSA-N 2 1 303.353 0.164 10 0 DCAEMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC(N)=O ZINC000184749675 396305114 /nfs/dbraw/zinc/30/51/14/396305114.db2.gz BOYAWXGYBOKLPQ-STQMWFEESA-N 2 1 318.421 0.928 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000184859380 396308899 /nfs/dbraw/zinc/30/88/99/396308899.db2.gz SNJOHCAQXBGBSP-GOEBONIOSA-N 2 1 324.469 0.569 10 0 DCAEMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000184859380 396308900 /nfs/dbraw/zinc/30/89/00/396308900.db2.gz SNJOHCAQXBGBSP-GOEBONIOSA-N 2 1 324.469 0.569 10 0 DCAEMP C[NH+](CC1(CO)CC1)CC1(C[N@H+](C)CC2(CO)CC2)COC1 ZINC000186826865 396358819 /nfs/dbraw/zinc/35/88/19/396358819.db2.gz YCFXQFZYPXFJJS-UHFFFAOYSA-N 2 1 312.454 0.412 10 0 DCAEMP C[NH+](CC1(CO)CC1)CC1(C[N@@H+](C)CC2(CO)CC2)COC1 ZINC000186826865 396358821 /nfs/dbraw/zinc/35/88/21/396358821.db2.gz YCFXQFZYPXFJJS-UHFFFAOYSA-N 2 1 312.454 0.412 10 0 DCAEMP O=S(=O)([C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)N1CCCC1 ZINC000190156329 396402861 /nfs/dbraw/zinc/40/28/61/396402861.db2.gz QPOQJZJAIRIAEN-AWEZNQCLSA-N 2 1 301.456 0.486 10 0 DCAEMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000309745832 396759530 /nfs/dbraw/zinc/75/95/30/396759530.db2.gz UFZZPJLTAHTZPH-HNNXBMFYSA-N 2 1 304.438 0.528 10 0 DCAEMP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCCCO)CC2)C1 ZINC000105915162 158131981 /nfs/dbraw/zinc/13/19/81/158131981.db2.gz CWRVKNBZVAGSOV-KRWDZBQOSA-N 2 1 313.486 0.876 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)C2 ZINC000329225758 159075214 /nfs/dbraw/zinc/07/52/14/159075214.db2.gz GSAFJSSQOBRXFD-XNRPHZJLSA-N 2 1 320.437 0.667 10 0 DCAEMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)C2 ZINC000329225758 159075215 /nfs/dbraw/zinc/07/52/15/159075215.db2.gz GSAFJSSQOBRXFD-XNRPHZJLSA-N 2 1 320.437 0.667 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000247775197 287095244 /nfs/dbraw/zinc/09/52/44/287095244.db2.gz QJAUTGJDSOGNFX-HUUCEWRRSA-N 2 1 311.474 0.406 10 0 DCAEMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000074167552 415428038 /nfs/dbraw/zinc/42/80/38/415428038.db2.gz BMANCHBXASVJAZ-CABCVRRESA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000074167552 415428044 /nfs/dbraw/zinc/42/80/44/415428044.db2.gz BMANCHBXASVJAZ-CABCVRRESA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000074167552 415428049 /nfs/dbraw/zinc/42/80/49/415428049.db2.gz BMANCHBXASVJAZ-CABCVRRESA-N 2 1 312.458 0.881 10 0 DCAEMP C[C@@H]1C[N@H+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000333623500 415699599 /nfs/dbraw/zinc/69/95/99/415699599.db2.gz PYMXNYUKGDLUGN-WZYMTQMTSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000333623500 415699605 /nfs/dbraw/zinc/69/96/05/415699605.db2.gz PYMXNYUKGDLUGN-WZYMTQMTSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000333623500 415699612 /nfs/dbraw/zinc/69/96/12/415699612.db2.gz PYMXNYUKGDLUGN-WZYMTQMTSA-N 2 1 324.469 0.710 10 0 DCAEMP C[C@@H]1C[NH+](CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000333623500 415699618 /nfs/dbraw/zinc/69/96/18/415699618.db2.gz PYMXNYUKGDLUGN-WZYMTQMTSA-N 2 1 324.469 0.710 10 0 DCAEMP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCCOC)C1 ZINC000174232022 416075370 /nfs/dbraw/zinc/07/53/70/416075370.db2.gz ZGZKZPAXOPOFNF-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)CCCOC)C1 ZINC000174232022 416075373 /nfs/dbraw/zinc/07/53/73/416075373.db2.gz ZGZKZPAXOPOFNF-AWEZNQCLSA-N 2 1 300.447 0.738 10 0 DCAEMP C(CN1CC[NH+]2CCC[C@@H]2C1)OCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000178664117 416167852 /nfs/dbraw/zinc/16/78/52/416167852.db2.gz FCIWWMPXPPAFDK-QZTJIDSGSA-N 2 1 322.497 0.563 10 0 DCAEMP C[C@]1(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000262063209 416336104 /nfs/dbraw/zinc/33/61/04/416336104.db2.gz RJDWNFDPVHHGQS-HNNXBMFYSA-N 2 1 315.483 0.876 10 0 DCAEMP NC(=O)NC(=O)CCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195516032 416326623 /nfs/dbraw/zinc/32/66/23/416326623.db2.gz HLSNYILGSDBPOJ-LBPRGKRZSA-N 2 1 305.382 0.791 10 0 DCAEMP CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632417746 417073732 /nfs/dbraw/zinc/07/37/32/417073732.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 2 1 319.471 0.063 10 0 DCAEMP CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC000632417746 417073738 /nfs/dbraw/zinc/07/37/38/417073738.db2.gz MKFHGSXJALFMLD-KBPBESRZSA-N 2 1 319.471 0.063 10 0 DCAEMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+]2CCC[C@@H]2C1 ZINC000638109469 417336189 /nfs/dbraw/zinc/33/61/89/417336189.db2.gz VOJYHKRERLDNEN-IAGOWNOFSA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638109469 417336195 /nfs/dbraw/zinc/33/61/95/417336195.db2.gz VOJYHKRERLDNEN-IAGOWNOFSA-N 2 1 316.449 0.752 10 0 DCAEMP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000638109469 417336201 /nfs/dbraw/zinc/33/62/01/417336201.db2.gz VOJYHKRERLDNEN-IAGOWNOFSA-N 2 1 316.449 0.752 10 0 DCAEMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649279145 418219221 /nfs/dbraw/zinc/21/92/21/418219221.db2.gz ZGCIMZGVIYOIJD-HOTGVXAUSA-N 2 1 303.406 0.613 10 0 DCAEMP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000193475478 261142065 /nfs/dbraw/zinc/14/20/65/261142065.db2.gz XDWBAVKJWHFXOH-ZBFHGGJFSA-N 2 1 324.469 0.617 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000194148237 261144865 /nfs/dbraw/zinc/14/48/65/261144865.db2.gz CIMITASLMFEAFL-OAHLLOKOSA-N 2 1 312.458 0.882 10 0 DCAEMP CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)CCOC)C1 ZINC000194152099 261145293 /nfs/dbraw/zinc/14/52/93/261145293.db2.gz JWQSTJNOQGXHKD-CQSZACIVSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+](C)CCOC)C1 ZINC000194152099 261145294 /nfs/dbraw/zinc/14/52/94/261145294.db2.gz JWQSTJNOQGXHKD-CQSZACIVSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)C1 ZINC000194152099 261145295 /nfs/dbraw/zinc/14/52/95/261145295.db2.gz JWQSTJNOQGXHKD-CQSZACIVSA-N 2 1 300.447 0.738 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000547296728 288035949 /nfs/dbraw/zinc/03/59/49/288035949.db2.gz QNWDYNCPXDKHMU-INIZCTEOSA-N 2 1 324.469 0.737 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000547296728 288035950 /nfs/dbraw/zinc/03/59/50/288035950.db2.gz QNWDYNCPXDKHMU-INIZCTEOSA-N 2 1 324.469 0.737 10 0 DCAEMP CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000177696295 279328446 /nfs/dbraw/zinc/32/84/46/279328446.db2.gz PLVMEURLOOSKBC-CVEARBPZSA-N 2 1 310.486 0.955 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000177696295 279328447 /nfs/dbraw/zinc/32/84/47/279328447.db2.gz PLVMEURLOOSKBC-CVEARBPZSA-N 2 1 310.486 0.955 10 0 DCAEMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188938083 281190673 /nfs/dbraw/zinc/19/06/73/281190673.db2.gz MPGFUNJHZRVXBK-NWDGAFQWSA-N 2 1 303.410 0.754 10 0 DCAEMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)CC1 ZINC000236625707 545952105 /nfs/dbraw/zinc/95/21/05/545952105.db2.gz XEYWBWAWTWATIY-JKSUJKDBSA-N 2 1 309.454 0.945 10 0 DCAEMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000333758246 546090325 /nfs/dbraw/zinc/09/03/25/546090325.db2.gz ADGHNXRFPCSMFI-FPCVCCKLSA-N 2 1 324.469 0.879 10 0 DCAEMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CCO1 ZINC000896415604 662269759 /nfs/dbraw/zinc/26/97/59/662269759.db2.gz MHERLZBWVYEJHO-DOMZBBRYSA-N 2 1 321.425 0.579 10 0 DCAEMP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CCO1 ZINC000896415604 662269760 /nfs/dbraw/zinc/26/97/60/662269760.db2.gz MHERLZBWVYEJHO-DOMZBBRYSA-N 2 1 321.425 0.579 10 0 DCAEMP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729620836 662905922 /nfs/dbraw/zinc/90/59/22/662905922.db2.gz VSYUBKDSFVXONQ-GJZGRUSLSA-N 2 1 319.409 0.078 10 0 DCAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](N)C[NH+](C)C ZINC000702396595 666949126 /nfs/dbraw/zinc/94/91/26/666949126.db2.gz GOTLXFWTFQYZIV-WBVHZDCISA-N 2 1 318.465 0.998 10 0 DCAEMP C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333616854 299075947 /nfs/dbraw/zinc/07/59/47/299075947.db2.gz REPCNJKZFFPOPI-SDADXPQNSA-N 2 1 324.469 0.614 10 0 DCAEMP C[C@H](CN1CCOCC1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000091559227 395726175 /nfs/dbraw/zinc/72/61/75/395726175.db2.gz YFHNYBORARDDPG-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP C[C@H](CN1CCOCC1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000091559227 395726177 /nfs/dbraw/zinc/72/61/77/395726177.db2.gz YFHNYBORARDDPG-MSOLQXFVSA-N 2 1 324.513 0.809 10 0 DCAEMP CCCNC(=O)CN(C)C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245448778 395930109 /nfs/dbraw/zinc/93/01/09/395930109.db2.gz NDHBOWPNAFZNRD-KBPBESRZSA-N 2 1 312.458 0.386 10 0 DCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262258659 396115917 /nfs/dbraw/zinc/11/59/17/396115917.db2.gz MBLREZPJAQOAMJ-OAHLLOKOSA-N 2 1 319.453 0.952 10 0 DCAEMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262371135 396131852 /nfs/dbraw/zinc/13/18/52/396131852.db2.gz WBLYZVDWSOVNDM-BMFZPTHFSA-N 2 1 319.453 0.714 10 0 DCAEMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1OC(F)F ZINC000263249398 396209348 /nfs/dbraw/zinc/20/93/48/396209348.db2.gz PRDJELBDVRIBMK-MNOVXSKESA-N 2 1 302.321 0.967 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000178296074 396193116 /nfs/dbraw/zinc/19/31/16/396193116.db2.gz XYQJAGRXFUMWLL-ZDUSSCGKSA-N 2 1 305.382 0.598 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCN1C(=O)CNC1=O ZINC000178296074 396193118 /nfs/dbraw/zinc/19/31/18/396193118.db2.gz XYQJAGRXFUMWLL-ZDUSSCGKSA-N 2 1 305.382 0.598 10 0 DCAEMP COCCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182556561 396251625 /nfs/dbraw/zinc/25/16/25/396251625.db2.gz GVUDPNAZLXRBOX-SJPCQFCGSA-N 2 1 311.470 0.892 10 0 DCAEMP COCCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182556561 396251628 /nfs/dbraw/zinc/25/16/28/396251628.db2.gz GVUDPNAZLXRBOX-SJPCQFCGSA-N 2 1 311.470 0.892 10 0 DCAEMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000184777003 396305829 /nfs/dbraw/zinc/30/58/29/396305829.db2.gz HLPZPUJCADYZQC-INIZCTEOSA-N 2 1 324.469 0.711 10 0 DCAEMP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309704602 396757790 /nfs/dbraw/zinc/75/77/90/396757790.db2.gz HGLXVLDYGSACCZ-CVEARBPZSA-N 2 1 305.422 0.989 10 0 DCAEMP C[N@H+](CCC(=O)N1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328642939 396829512 /nfs/dbraw/zinc/82/95/12/396829512.db2.gz RFSBGQPISFTSRD-AWEZNQCLSA-N 2 1 306.410 0.626 10 0 DCAEMP C[N@@H+](CCC(=O)N1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328642939 396829517 /nfs/dbraw/zinc/82/95/17/396829517.db2.gz RFSBGQPISFTSRD-AWEZNQCLSA-N 2 1 306.410 0.626 10 0 DCAEMP c1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc(N2CCOCC2)[nH+]1 ZINC000634810531 396921728 /nfs/dbraw/zinc/92/17/28/396921728.db2.gz ZQXQJUAHTRTRJS-OKILXGFUSA-N 2 1 303.410 0.749 10 0 DCAEMP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000571948902 397004388 /nfs/dbraw/zinc/00/43/88/397004388.db2.gz FTJSSEBVAZNVHP-KBPBESRZSA-N 2 1 322.453 0.282 10 0 DCAEMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000192111513 158573755 /nfs/dbraw/zinc/57/37/55/158573755.db2.gz AFQGNYCVUIYAHA-UONOGXRCSA-N 2 1 324.469 0.372 10 0 DCAEMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000329601382 159105863 /nfs/dbraw/zinc/10/58/63/159105863.db2.gz KNCBLYSINVJDJV-KRWDZBQOSA-N 2 1 304.438 0.702 10 0 DCAEMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(Cc3cccnc3)CC2)C1 ZINC000329601382 159105864 /nfs/dbraw/zinc/10/58/64/159105864.db2.gz KNCBLYSINVJDJV-KRWDZBQOSA-N 2 1 304.438 0.702 10 0 DCAEMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000074167555 415430526 /nfs/dbraw/zinc/43/05/26/415430526.db2.gz BMANCHBXASVJAZ-GJZGRUSLSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000074167555 415430536 /nfs/dbraw/zinc/43/05/36/415430536.db2.gz BMANCHBXASVJAZ-GJZGRUSLSA-N 2 1 312.458 0.881 10 0 DCAEMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000074167555 415430542 /nfs/dbraw/zinc/43/05/42/415430542.db2.gz BMANCHBXASVJAZ-GJZGRUSLSA-N 2 1 312.458 0.881 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000333826824 415745054 /nfs/dbraw/zinc/74/50/54/415745054.db2.gz LUAHLIVNWFPSCT-ILXRZTDVSA-N 2 1 310.442 0.491 10 0 DCAEMP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000333826834 415746876 /nfs/dbraw/zinc/74/68/76/415746876.db2.gz LUAHLIVNWFPSCT-RBSFLKMASA-N 2 1 310.442 0.491 10 0 DCAEMP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984075 416335986 /nfs/dbraw/zinc/33/59/86/416335986.db2.gz JMMIQLFHQPPHFL-WFASDCNBSA-N 2 1 307.398 0.701 10 0 DCAEMP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)nn1 ZINC000261984075 416335987 /nfs/dbraw/zinc/33/59/87/416335987.db2.gz JMMIQLFHQPPHFL-WFASDCNBSA-N 2 1 307.398 0.701 10 0 DCAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000422982092 416455896 /nfs/dbraw/zinc/45/58/96/416455896.db2.gz VMXIJLVGFVIWIB-MSOLQXFVSA-N 3 1 321.465 0.967 10 0 DCAEMP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000422982092 416455900 /nfs/dbraw/zinc/45/59/00/416455900.db2.gz VMXIJLVGFVIWIB-MSOLQXFVSA-N 3 1 321.465 0.967 10 0 DCAEMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000556064429 288368818 /nfs/dbraw/zinc/36/88/18/288368818.db2.gz ATBOTIBCPDJCFD-AWEZNQCLSA-N 2 1 312.458 0.245 10 0 DCAEMP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556359278 288375276 /nfs/dbraw/zinc/37/52/76/288375276.db2.gz AIKLDGJQPZYKRM-KGLIPLIRSA-N 2 1 310.442 0.140 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H]1C ZINC000342084244 290100463 /nfs/dbraw/zinc/10/04/63/290100463.db2.gz BDJVEVIUTPOJSC-BARDWOONSA-N 2 1 312.458 0.566 10 0 DCAEMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC000252671498 290106362 /nfs/dbraw/zinc/10/63/62/290106362.db2.gz VYCWVLWTOQMMBI-QXKUPLGCSA-N 2 1 309.454 0.821 10 0 DCAEMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC000252671498 290106367 /nfs/dbraw/zinc/10/63/67/290106367.db2.gz VYCWVLWTOQMMBI-QXKUPLGCSA-N 2 1 309.454 0.821 10 0 DCAEMP C[N@H+]1CC[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[C@H]2C1 ZINC000333368110 290156741 /nfs/dbraw/zinc/15/67/41/290156741.db2.gz FCWJBJCIQCYBDG-NFAWXSAZSA-N 2 1 318.425 0.369 10 0 DCAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000333795004 546092986 /nfs/dbraw/zinc/09/29/86/546092986.db2.gz GVCWCZHDSZWZDI-HZPDHXFCSA-N 2 1 323.485 0.407 10 0 DCAEMP COCCOC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720841273 685315370 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0.275 10 0 DCAEMP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@@H+](C)C1CC1 ZINC000105267476 395779698 /nfs/dbraw/zinc/77/96/98/395779698.db2.gz VJMWESOKVLFJTK-UKRRQHHQSA-N 2 1 312.458 0.615 10 0 DCAEMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237085174 395902071 /nfs/dbraw/zinc/90/20/71/395902071.db2.gz HAYYHXLXXAFBEV-CHWSQXEVSA-N 2 1 301.456 0.309 10 0 DCAEMP COCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237091999 395902926 /nfs/dbraw/zinc/90/29/26/395902926.db2.gz HAYYHXLXXAFBEV-OLZOCXBDSA-N 2 1 301.456 0.309 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246864918 395959321 /nfs/dbraw/zinc/95/93/21/395959321.db2.gz PUMURBLSIDVRSL-UAGQMJEPSA-N 2 1 321.465 0.918 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246864918 395959323 /nfs/dbraw/zinc/95/93/23/395959323.db2.gz PUMURBLSIDVRSL-UAGQMJEPSA-N 2 1 321.465 0.918 10 0 DCAEMP O=C1CCCN1C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246864918 395959326 /nfs/dbraw/zinc/95/93/26/395959326.db2.gz PUMURBLSIDVRSL-UAGQMJEPSA-N 2 1 321.465 0.918 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246852692 395959672 /nfs/dbraw/zinc/95/96/72/395959672.db2.gz CEWWPLNMSZCXEO-HUUCEWRRSA-N 2 1 306.410 0.639 10 0 DCAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246852692 395959675 /nfs/dbraw/zinc/95/96/75/395959675.db2.gz CEWWPLNMSZCXEO-HUUCEWRRSA-N 2 1 306.410 0.639 10 0 DCAEMP CN1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000247348725 395972316 /nfs/dbraw/zinc/97/23/16/395972316.db2.gz XZXFQROYAMGKIS-RRFJBIMHSA-N 2 1 310.442 0.443 10 0 DCAEMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C[C@H](C)O1 ZINC000261660672 396053389 /nfs/dbraw/zinc/05/33/89/396053389.db2.gz FSDVAUCYQNSXNN-GUTXKFCHSA-N 2 1 313.442 0.356 10 0 DCAEMP Cc1cnn(CC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261864330 396073217 /nfs/dbraw/zinc/07/32/17/396073217.db2.gz KRJBKPUQYOJTBS-JKSUJKDBSA-N 2 1 319.453 0.772 10 0 DCAEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262389485 396134467 /nfs/dbraw/zinc/13/44/67/396134467.db2.gz XUAQHAQCAYVSRY-CABCVRRESA-N 2 1 317.437 0.657 10 0 DCAEMP COC(C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)OC ZINC000161812953 396076933 /nfs/dbraw/zinc/07/69/33/396076933.db2.gz IKENBOMKSBIDRZ-UHFFFAOYSA-N 2 1 313.442 0.481 10 0 DCAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161934585 396077867 /nfs/dbraw/zinc/07/78/67/396077867.db2.gz JOPVIAPHNPVNNV-ZDUSSCGKSA-N 2 1 300.428 0.595 10 0 DCAEMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161934585 396077871 /nfs/dbraw/zinc/07/78/71/396077871.db2.gz JOPVIAPHNPVNNV-ZDUSSCGKSA-N 2 1 300.428 0.595 10 0 DCAEMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261938405 396081842 /nfs/dbraw/zinc/08/18/42/396081842.db2.gz MNJARWUEBCCMHN-BRSBDYLESA-N 3 1 324.513 0.759 10 0 DCAEMP CC(C)[N@H+]1CCc2nc(CNC[C@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263195630 396205962 /nfs/dbraw/zinc/20/59/62/396205962.db2.gz IJACRUYAJJJHFV-YPMHNXCESA-N 2 1 310.467 0.580 10 0 DCAEMP Cc1nc(COc2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cc2)no1 ZINC000263234213 396207848 /nfs/dbraw/zinc/20/78/48/396207848.db2.gz NTLAWLXMNYFRLR-DZGCQCFKSA-N 2 1 318.377 0.627 10 0 DCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262660032 396169039 /nfs/dbraw/zinc/16/90/39/396169039.db2.gz FXLSSNVRSQZLLN-GJZGRUSLSA-N 2 1 324.469 0.517 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262660032 396169042 /nfs/dbraw/zinc/16/90/42/396169042.db2.gz FXLSSNVRSQZLLN-GJZGRUSLSA-N 2 1 324.469 0.517 10 0 DCAEMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193295274 396448069 /nfs/dbraw/zinc/44/80/69/396448069.db2.gz YTPIWBMURPTONW-CQSZACIVSA-N 2 1 312.458 0.517 10 0 DCAEMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193295274 396448071 /nfs/dbraw/zinc/44/80/71/396448071.db2.gz YTPIWBMURPTONW-CQSZACIVSA-N 2 1 312.458 0.517 10 0 DCAEMP COC[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000561810181 396647863 /nfs/dbraw/zinc/64/78/63/396647863.db2.gz GNEUFUCEOLGNBI-INIZCTEOSA-N 2 1 321.421 0.171 10 0 DCAEMP CC[C@](C)(O)C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000123543737 158231985 /nfs/dbraw/zinc/23/19/85/158231985.db2.gz HEWYDQGANNGFBK-IRXDYDNUSA-N 2 1 313.486 0.874 10 0 DCAEMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165173229 158365118 /nfs/dbraw/zinc/36/51/18/158365118.db2.gz RPQHXWDJSGLFCW-KGLIPLIRSA-N 2 1 324.469 0.611 10 0 DCAEMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000170843508 158376871 /nfs/dbraw/zinc/37/68/71/158376871.db2.gz UMNLAFQQESANCF-OAHLLOKOSA-N 2 1 316.405 0.733 10 0 DCAEMP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000170843508 158376873 /nfs/dbraw/zinc/37/68/73/158376873.db2.gz UMNLAFQQESANCF-OAHLLOKOSA-N 2 1 316.405 0.733 10 0 DCAEMP CC1(C)CN(CCNC(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000171675734 158385371 /nfs/dbraw/zinc/38/53/71/158385371.db2.gz NFCFZJYVGYNWFB-UHFFFAOYSA-N 2 1 310.442 0.587 10 0 DCAEMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132130717 287003833 /nfs/dbraw/zinc/00/38/33/287003833.db2.gz OGFFBASIDYIQJT-GJZGRUSLSA-N 2 1 317.499 0.932 10 0 DCAEMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000132130717 287003834 /nfs/dbraw/zinc/00/38/34/287003834.db2.gz OGFFBASIDYIQJT-GJZGRUSLSA-N 2 1 317.499 0.932 10 0 DCAEMP COC[C@](C)(CCO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134393492 415956728 /nfs/dbraw/zinc/95/67/28/415956728.db2.gz RQPHQBRRZMVQMA-INIZCTEOSA-N 2 1 323.441 0.106 10 0 DCAEMP CCCNC(=O)CN(C)C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173526826 416060712 /nfs/dbraw/zinc/06/07/12/416060712.db2.gz NDHBOWPNAFZNRD-KGLIPLIRSA-N 2 1 312.458 0.386 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000178324779 416160188 /nfs/dbraw/zinc/16/01/88/416160188.db2.gz CEWWPLNMSZCXEO-GJZGRUSLSA-N 2 1 306.410 0.639 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000178324779 416160192 /nfs/dbraw/zinc/16/01/92/416160192.db2.gz CEWWPLNMSZCXEO-GJZGRUSLSA-N 2 1 306.410 0.639 10 0 DCAEMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1CCOC ZINC000261950618 416336043 /nfs/dbraw/zinc/33/60/43/416336043.db2.gz KBUGOLYUCPNZLZ-GJZGRUSLSA-N 2 1 313.442 0.310 10 0 DCAEMP CC[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@H+]1CCOC ZINC000261950618 416336044 /nfs/dbraw/zinc/33/60/44/416336044.db2.gz KBUGOLYUCPNZLZ-GJZGRUSLSA-N 2 1 313.442 0.310 10 0 DCAEMP O=C(NCCC[NH+]1CCOCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000194649740 416324574 /nfs/dbraw/zinc/32/45/74/416324574.db2.gz PXHNDWBTPBOQKR-UHFFFAOYSA-N 2 1 310.442 0.588 10 0 DCAEMP O=C(NCCC[NH+]1CCOCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000194649740 416324576 /nfs/dbraw/zinc/32/45/76/416324576.db2.gz PXHNDWBTPBOQKR-UHFFFAOYSA-N 2 1 310.442 0.588 10 0 DCAEMP CCOCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1CC ZINC000246299133 416331918 /nfs/dbraw/zinc/33/19/18/416331918.db2.gz NVWPSSUTTCXYMZ-DZGCQCFKSA-N 2 1 301.406 0.647 10 0 DCAEMP CCOCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1CC ZINC000246299133 416331919 /nfs/dbraw/zinc/33/19/19/416331919.db2.gz NVWPSSUTTCXYMZ-DZGCQCFKSA-N 2 1 301.406 0.647 10 0 DCAEMP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)C[N@H+]1C1CC1 ZINC000246744468 416332157 /nfs/dbraw/zinc/33/21/57/416332157.db2.gz YUBOIWUINXYGHO-IPYPFGDCSA-N 2 1 310.442 0.584 10 0 DCAEMP CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000362066622 416554571 /nfs/dbraw/zinc/55/45/71/416554571.db2.gz NKMZSIDCJGHFEQ-MRXNPFEDSA-N 2 1 308.470 0.615 10 0 DCAEMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000452100302 417447273 /nfs/dbraw/zinc/44/72/73/417447273.db2.gz YZXYWUUAEDTLTR-CYBMUJFWSA-N 2 1 303.472 0.732 10 0 DCAEMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248690984 279156836 /nfs/dbraw/zinc/15/68/36/279156836.db2.gz XULHJHFBWIEEQG-ILXRZTDVSA-N 2 1 314.474 0.813 10 0 DCAEMP CC[N@H+](CCNC(=O)N1CC[NH+](CCOC)[C@H](C)C1)C1CC1 ZINC000117489557 279195200 /nfs/dbraw/zinc/19/52/00/279195200.db2.gz WJSQAHCPDCCLRU-CQSZACIVSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[N@@H+](CCNC(=O)N1CC[NH+](CCOC)[C@H](C)C1)C1CC1 ZINC000117489557 279195203 /nfs/dbraw/zinc/19/52/03/279195203.db2.gz WJSQAHCPDCCLRU-CQSZACIVSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@H+](CCOC)[C@H](C)C1)C1CC1 ZINC000117489557 279195204 /nfs/dbraw/zinc/19/52/04/279195204.db2.gz WJSQAHCPDCCLRU-CQSZACIVSA-N 2 1 312.458 0.833 10 0 DCAEMP CC[NH+](CCNC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)C1CC1 ZINC000117489557 279195207 /nfs/dbraw/zinc/19/52/07/279195207.db2.gz WJSQAHCPDCCLRU-CQSZACIVSA-N 2 1 312.458 0.833 10 0 DCAEMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262378123 280273762 /nfs/dbraw/zinc/27/37/62/280273762.db2.gz YKQWVSHEDHOXLL-FLTXBFBQSA-N 2 1 310.442 0.217 10 0 DCAEMP CC(C)[N@@H+]1C[C@H](NC(=O)NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000187298283 529102693 /nfs/dbraw/zinc/10/26/93/529102693.db2.gz VZIZIIXLSLYVAA-GJZGRUSLSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@@H+]2CCCOCC2)[C@@H](C)C1 ZINC000187298283 529102700 /nfs/dbraw/zinc/10/27/00/529102700.db2.gz VZIZIIXLSLYVAA-GJZGRUSLSA-N 2 1 312.458 0.737 10 0 DCAEMP CC(C)[NH+]1C[C@H](NC(=O)NCC[N@H+]2CCCOCC2)[C@@H](C)C1 ZINC000187298283 529102706 /nfs/dbraw/zinc/10/27/06/529102706.db2.gz VZIZIIXLSLYVAA-GJZGRUSLSA-N 2 1 312.458 0.737 10 0 DCAEMP C[C@@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1CC[NH3+] ZINC000723890012 657722778 /nfs/dbraw/zinc/72/27/78/657722778.db2.gz DDKRMWSWSYKYHD-MGPQQGTHSA-N 2 1 303.472 0.575 10 0 DCAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000178309145 659461953 /nfs/dbraw/zinc/46/19/53/659461953.db2.gz DGIGRTCKXKADAG-HIFRSBDPSA-N 2 1 306.410 0.903 10 0 DCAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C)C1 ZINC000178309145 659461960 /nfs/dbraw/zinc/46/19/60/659461960.db2.gz DGIGRTCKXKADAG-HIFRSBDPSA-N 2 1 306.410 0.903 10 0 DCAEMP