smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1CCC[N@H+](Cc2nccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000217043717 163331126 /nfs/dbraw/zinc/33/11/26/163331126.db2.gz PJQKVJJNZFAKLC-OLZOCXBDSA-N 2 1 308.451 1.223 20 70 DDIDMP O=C(NC[C@H]1CCC[N@@H+](Cc2nccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000217043717 163331129 /nfs/dbraw/zinc/33/11/29/163331129.db2.gz PJQKVJJNZFAKLC-OLZOCXBDSA-N 2 1 308.451 1.223 20 70 DDIDMP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160635740 354239036 /nfs/dbraw/zinc/23/90/36/354239036.db2.gz FUCGCOCBMCVQLM-QGZVFWFLSA-N 2 1 322.497 1.844 20 70 DDIDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159552899 408415214 /nfs/dbraw/zinc/41/52/14/408415214.db2.gz QYRMORVZOOQJAY-IKGGRYGDSA-N 2 1 323.481 1.478 20 70 DDIDMP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000160978460 484071590 /nfs/dbraw/zinc/07/15/90/484071590.db2.gz UXOSUNGFYWSPDZ-XOKHGSTOSA-N 2 1 301.434 1.819 20 70 DDIDMP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000160978460 484071597 /nfs/dbraw/zinc/07/15/97/484071597.db2.gz UXOSUNGFYWSPDZ-XOKHGSTOSA-N 2 1 301.434 1.819 20 70 DDIDMP Cc1csc(=O)n1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161359392 539221203 /nfs/dbraw/zinc/22/12/03/539221203.db2.gz FOSIKEWYNSNPOF-UHFFFAOYSA-N 2 1 304.419 1.435 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000159920624 285209863 /nfs/dbraw/zinc/20/98/63/285209863.db2.gz WYHPTHWUBOFRGM-MQVJKMGUSA-N 2 1 308.470 1.739 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000159920624 285209868 /nfs/dbraw/zinc/20/98/68/285209868.db2.gz WYHPTHWUBOFRGM-MQVJKMGUSA-N 2 1 308.470 1.739 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000159920624 285209873 /nfs/dbraw/zinc/20/98/73/285209873.db2.gz WYHPTHWUBOFRGM-MQVJKMGUSA-N 2 1 308.470 1.739 20 70 DDIDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161137358 408563501 /nfs/dbraw/zinc/56/35/01/408563501.db2.gz KQIOEFYSTYIWTE-GFCCVEGCSA-N 2 1 313.804 1.766 20 70 DDIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161266054 282069730 /nfs/dbraw/zinc/06/97/30/282069730.db2.gz CBBFMECOAUHMMV-KBPBESRZSA-N 2 1 313.486 1.756 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000159974948 408448993 /nfs/dbraw/zinc/44/89/93/408448993.db2.gz FBLWPQLMXMXVNM-INIZCTEOSA-N 2 1 310.486 1.702 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000159974948 408448999 /nfs/dbraw/zinc/44/89/99/408448999.db2.gz FBLWPQLMXMXVNM-INIZCTEOSA-N 2 1 310.486 1.702 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000159974948 408449001 /nfs/dbraw/zinc/44/90/01/408449001.db2.gz FBLWPQLMXMXVNM-INIZCTEOSA-N 2 1 310.486 1.702 20 70 DDIDMP CC(C)[C@@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000159627149 408421133 /nfs/dbraw/zinc/42/11/33/408421133.db2.gz TVCZAECLCDLWTO-HNNXBMFYSA-N 2 1 313.486 1.389 20 70 DDIDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159713388 408426983 /nfs/dbraw/zinc/42/69/83/408426983.db2.gz UMTSGZUDJALYJK-ZBFHGGJFSA-N 2 1 311.470 1.068 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000160913718 408538879 /nfs/dbraw/zinc/53/88/79/408538879.db2.gz VMXUZDMIABYQJC-CQSZACIVSA-N 2 1 306.454 1.493 20 70 DDIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000160913718 408538882 /nfs/dbraw/zinc/53/88/82/408538882.db2.gz VMXUZDMIABYQJC-CQSZACIVSA-N 2 1 306.454 1.493 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160656287 354239878 /nfs/dbraw/zinc/23/98/78/354239878.db2.gz LUOUGUVGNWXRGD-DLBZAZTESA-N 2 1 320.481 1.741 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000159740532 285211147 /nfs/dbraw/zinc/21/11/47/285211147.db2.gz NHDIUPFUSMZZNY-HOTGVXAUSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159740532 285211152 /nfs/dbraw/zinc/21/11/52/285211152.db2.gz NHDIUPFUSMZZNY-HOTGVXAUSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159740532 285211155 /nfs/dbraw/zinc/21/11/55/285211155.db2.gz NHDIUPFUSMZZNY-HOTGVXAUSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000159774423 408432479 /nfs/dbraw/zinc/43/24/79/408432479.db2.gz FZOZDSJWAHFXPU-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160599028 408502926 /nfs/dbraw/zinc/50/29/26/408502926.db2.gz HMVNDJZMFFKULT-APWZRJJASA-N 2 1 317.477 1.949 20 70 DDIDMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000217031763 163330800 /nfs/dbraw/zinc/33/08/00/163330800.db2.gz KIRMKRLLZWGKHR-HIFRSBDPSA-N 2 1 307.463 1.828 20 70 DDIDMP C[NH+](C)[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160015541 197380049 /nfs/dbraw/zinc/38/00/49/197380049.db2.gz JUFGEZSTHUFITO-IAGOWNOFSA-N 2 1 319.449 1.252 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000159531320 408414363 /nfs/dbraw/zinc/41/43/63/408414363.db2.gz QFCQWVPUDVNIMJ-UHFFFAOYSA-N 2 1 310.486 1.988 20 70 DDIDMP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000160722055 408517093 /nfs/dbraw/zinc/51/70/93/408517093.db2.gz QUDVHTDCMHFPPA-DLBZAZTESA-N 2 1 301.434 1.861 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160982354 408547802 /nfs/dbraw/zinc/54/78/02/408547802.db2.gz SUXNDEGZIBWGOV-BBRMVZONSA-N 2 1 305.422 1.241 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160982354 408547806 /nfs/dbraw/zinc/54/78/06/408547806.db2.gz SUXNDEGZIBWGOV-BBRMVZONSA-N 2 1 305.422 1.241 20 70 DDIDMP CC[N@@H+]1CCCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000159649958 186133116 /nfs/dbraw/zinc/13/31/16/186133116.db2.gz HHVGQOJMYNIGOR-UHFFFAOYSA-N 2 1 319.453 1.929 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000159649958 186133117 /nfs/dbraw/zinc/13/31/17/186133117.db2.gz HHVGQOJMYNIGOR-UHFFFAOYSA-N 2 1 319.453 1.929 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000159975088 408449858 /nfs/dbraw/zinc/44/98/58/408449858.db2.gz FBLWPQLMXMXVNM-MRXNPFEDSA-N 2 1 310.486 1.702 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000159975088 408449864 /nfs/dbraw/zinc/44/98/64/408449864.db2.gz FBLWPQLMXMXVNM-MRXNPFEDSA-N 2 1 310.486 1.702 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000159975088 408449868 /nfs/dbraw/zinc/44/98/68/408449868.db2.gz FBLWPQLMXMXVNM-MRXNPFEDSA-N 2 1 310.486 1.702 20 70 DDIDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000159794371 408436381 /nfs/dbraw/zinc/43/63/81/408436381.db2.gz QWTRYYQPOTUURT-IYBDPMFKSA-N 2 1 306.454 1.704 20 70 DDIDMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC)CC1 ZINC000217037425 163330648 /nfs/dbraw/zinc/33/06/48/163330648.db2.gz WLCKVYFUZBWDSP-INIZCTEOSA-N 2 1 310.486 1.988 20 70 DDIDMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC)CC1 ZINC000217037425 163330650 /nfs/dbraw/zinc/33/06/50/163330650.db2.gz WLCKVYFUZBWDSP-INIZCTEOSA-N 2 1 310.486 1.988 20 70 DDIDMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000160353407 408475135 /nfs/dbraw/zinc/47/51/35/408475135.db2.gz MIDAOXGHWQYGCL-KRWDZBQOSA-N 2 1 316.449 1.278 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000159660240 186133470 /nfs/dbraw/zinc/13/34/70/186133470.db2.gz HAWHJYVBLXTGEB-UHFFFAOYSA-N 2 1 318.465 1.985 20 70 DDIDMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(OC)c1 ZINC000161287786 197482197 /nfs/dbraw/zinc/48/21/97/197482197.db2.gz JZEZGTQYMOACHB-UHFFFAOYSA-N 2 1 321.465 1.773 20 70 DDIDMP O=C(NC[C@@H]1CCC[N@H+](Cc2nccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000217043754 163331384 /nfs/dbraw/zinc/33/13/84/163331384.db2.gz PJQKVJJNZFAKLC-STQMWFEESA-N 2 1 308.451 1.223 20 70 DDIDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2nccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000217043754 163331386 /nfs/dbraw/zinc/33/13/86/163331386.db2.gz PJQKVJJNZFAKLC-STQMWFEESA-N 2 1 308.451 1.223 20 70 DDIDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161425558 484074675 /nfs/dbraw/zinc/07/46/75/484074675.db2.gz RYTOWIVCAPEDFE-NPJQDHAYSA-N 2 1 311.470 1.506 20 70 DDIDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161425558 484074682 /nfs/dbraw/zinc/07/46/82/484074682.db2.gz RYTOWIVCAPEDFE-NPJQDHAYSA-N 2 1 311.470 1.506 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160513983 408490890 /nfs/dbraw/zinc/49/08/90/408490890.db2.gz DXXFYBURSKNQKE-QLFBSQMISA-N 2 1 313.486 1.754 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160513983 408490895 /nfs/dbraw/zinc/49/08/95/408490895.db2.gz DXXFYBURSKNQKE-QLFBSQMISA-N 2 1 313.486 1.754 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000160980054 408547226 /nfs/dbraw/zinc/54/72/26/408547226.db2.gz NPJDTTCJCZPDDL-CPUCHLNUSA-N 2 1 319.449 1.630 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000160980054 408547232 /nfs/dbraw/zinc/54/72/32/408547232.db2.gz NPJDTTCJCZPDDL-CPUCHLNUSA-N 2 1 319.449 1.630 20 70 DDIDMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160929360 279340278 /nfs/dbraw/zinc/34/02/78/279340278.db2.gz BOGHJXGWIKSPFN-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000160929360 279340280 /nfs/dbraw/zinc/34/02/80/279340280.db2.gz BOGHJXGWIKSPFN-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000160721949 408517727 /nfs/dbraw/zinc/51/77/27/408517727.db2.gz QUDVHTDCMHFPPA-IAGOWNOFSA-N 2 1 301.434 1.861 20 70 DDIDMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1F ZINC000161303895 408584973 /nfs/dbraw/zinc/58/49/73/408584973.db2.gz QLZYVHAGEPKYIO-UHFFFAOYSA-N 2 1 309.429 1.904 20 70 DDIDMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160699765 354240296 /nfs/dbraw/zinc/24/02/96/354240296.db2.gz AKLINSKZJQUZEK-JKSUJKDBSA-N 2 1 308.470 1.454 20 70 DDIDMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160699765 354240300 /nfs/dbraw/zinc/24/03/00/354240300.db2.gz AKLINSKZJQUZEK-JKSUJKDBSA-N 2 1 308.470 1.454 20 70 DDIDMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)n1 ZINC000160695552 408512252 /nfs/dbraw/zinc/51/22/52/408512252.db2.gz CUISDFPSVKDQDZ-CZUORRHYSA-N 2 1 306.454 1.981 20 70 DDIDMP COC(C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000161031301 408551524 /nfs/dbraw/zinc/55/15/24/408551524.db2.gz RMVRQOYPYZOWSZ-UHFFFAOYSA-N 2 1 321.465 1.355 20 70 DDIDMP COC(C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)OC ZINC000161031301 408551529 /nfs/dbraw/zinc/55/15/29/408551529.db2.gz RMVRQOYPYZOWSZ-UHFFFAOYSA-N 2 1 321.465 1.355 20 70 DDIDMP COc1ccc(CNC(=O)CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160958708 539220825 /nfs/dbraw/zinc/22/08/25/539220825.db2.gz RESLVHKNXLWXQV-ZFWWWQNUSA-N 2 1 305.422 1.384 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000160958708 539220827 /nfs/dbraw/zinc/22/08/27/539220827.db2.gz RESLVHKNXLWXQV-ZFWWWQNUSA-N 2 1 305.422 1.384 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160656017 354240184 /nfs/dbraw/zinc/24/01/84/354240184.db2.gz LUOUGUVGNWXRGD-IAGOWNOFSA-N 2 1 320.481 1.741 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000159580270 285210156 /nfs/dbraw/zinc/21/01/56/285210156.db2.gz ZMQDLGPINRZILB-UHFFFAOYSA-N 2 1 310.486 1.844 20 70 DDIDMP C[NH+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160015123 408448948 /nfs/dbraw/zinc/44/89/48/408448948.db2.gz JUFGEZSTHUFITO-IRXDYDNUSA-N 2 1 319.449 1.252 20 70 DDIDMP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000160705506 408514966 /nfs/dbraw/zinc/51/49/66/408514966.db2.gz ADQZIVKOPGKBBT-OAHLLOKOSA-N 2 1 322.497 1.987 20 70 DDIDMP Cc1ccc(CN(C)Cc2cnc(N3CC[NH+](C)CC3)nc2)o1 ZINC000160864649 408532764 /nfs/dbraw/zinc/53/27/64/408532764.db2.gz MWCDCHDEVNMINI-UHFFFAOYSA-N 2 1 315.421 1.762 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)CC1 ZINC000159740695 285214155 /nfs/dbraw/zinc/21/41/55/285214155.db2.gz NHDIUPFUSMZZNY-JKSUJKDBSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159740695 285214159 /nfs/dbraw/zinc/21/41/59/285214159.db2.gz NHDIUPFUSMZZNY-JKSUJKDBSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159740695 285214161 /nfs/dbraw/zinc/21/41/61/285214161.db2.gz NHDIUPFUSMZZNY-JKSUJKDBSA-N 2 1 310.486 1.844 20 70 DDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000160721686 408517163 /nfs/dbraw/zinc/51/71/63/408517163.db2.gz QUDVHTDCMHFPPA-SJORKVTESA-N 2 1 301.434 1.861 20 70 DDIDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160809649 408525774 /nfs/dbraw/zinc/52/57/74/408525774.db2.gz CETDCKJLSLZYPN-BFYDXBDKSA-N 2 1 320.481 1.881 20 70 DDIDMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160809649 408525778 /nfs/dbraw/zinc/52/57/78/408525778.db2.gz CETDCKJLSLZYPN-BFYDXBDKSA-N 2 1 320.481 1.881 20 70 DDIDMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160809649 408525783 /nfs/dbraw/zinc/52/57/83/408525783.db2.gz CETDCKJLSLZYPN-BFYDXBDKSA-N 2 1 320.481 1.881 20 70 DDIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000160845234 408529717 /nfs/dbraw/zinc/52/97/17/408529717.db2.gz LIKKMFKTQBBQJU-DOTOQJQBSA-N 2 1 320.481 1.883 20 70 DDIDMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160845234 408529720 /nfs/dbraw/zinc/52/97/20/408529720.db2.gz LIKKMFKTQBBQJU-DOTOQJQBSA-N 2 1 320.481 1.883 20 70 DDIDMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160845234 408529725 /nfs/dbraw/zinc/52/97/25/408529725.db2.gz LIKKMFKTQBBQJU-DOTOQJQBSA-N 2 1 320.481 1.883 20 70 DDIDMP Cc1cccc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159379114 408403190 /nfs/dbraw/zinc/40/31/90/408403190.db2.gz OSXVOYFIGKLIEV-KRWDZBQOSA-N 2 1 301.434 1.909 20 70 DDIDMP C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000160718396 484067602 /nfs/dbraw/zinc/06/76/02/484067602.db2.gz PPUDFEQMFZHUQI-UAGQMJEPSA-N 2 1 319.449 1.108 20 70 DDIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160462561 524563330 /nfs/dbraw/zinc/56/33/30/524563330.db2.gz DNBFCPWHVGJODY-LPHOPBHVSA-N 2 1 317.477 1.949 20 70 DDIDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159713244 408428272 /nfs/dbraw/zinc/42/82/72/408428272.db2.gz UMTSGZUDJALYJK-HOCLYGCPSA-N 2 1 311.470 1.068 20 70 DDIDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160705634 408514768 /nfs/dbraw/zinc/51/47/68/408514768.db2.gz GKHQTEUNWYLJAY-HNNXBMFYSA-N 2 1 319.440 1.542 20 70 DDIDMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160827227 408527541 /nfs/dbraw/zinc/52/75/41/408527541.db2.gz HOWMVHWBORJIEO-HNNXBMFYSA-N 2 1 308.470 1.741 20 70 DDIDMP CCN(Cc1ccccn1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000161095781 408559993 /nfs/dbraw/zinc/55/99/93/408559993.db2.gz IVVDURQCFSTUPJ-OAHLLOKOSA-N 2 1 304.438 1.456 20 70 DDIDMP Cc1ncc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)n1 ZINC000160695691 279157496 /nfs/dbraw/zinc/15/74/96/279157496.db2.gz CUISDFPSVKDQDZ-XJKSGUPXSA-N 2 1 306.454 1.981 20 70 DDIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000160845366 408528779 /nfs/dbraw/zinc/52/87/79/408528779.db2.gz LIKKMFKTQBBQJU-NVXWUHKLSA-N 2 1 320.481 1.883 20 70 DDIDMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160845366 408528784 /nfs/dbraw/zinc/52/87/84/408528784.db2.gz LIKKMFKTQBBQJU-NVXWUHKLSA-N 2 1 320.481 1.883 20 70 DDIDMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160845366 408528789 /nfs/dbraw/zinc/52/87/89/408528789.db2.gz LIKKMFKTQBBQJU-NVXWUHKLSA-N 2 1 320.481 1.883 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000160714304 484067425 /nfs/dbraw/zinc/06/74/25/484067425.db2.gz SODTWNMHMXYDQN-MRXNPFEDSA-N 2 1 306.454 1.208 20 70 DDIDMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000216917307 484142735 /nfs/dbraw/zinc/14/27/35/484142735.db2.gz JHVOWJRKJQMQMK-DLBZAZTESA-N 2 1 322.497 1.987 20 70 DDIDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431683 408603390 /nfs/dbraw/zinc/60/33/90/408603390.db2.gz KJPWSKCSPIROOM-LSDHHAIUSA-N 2 1 317.499 1.265 20 70 DDIDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431683 408603396 /nfs/dbraw/zinc/60/33/96/408603396.db2.gz KJPWSKCSPIROOM-LSDHHAIUSA-N 2 1 317.499 1.265 20 70 DDIDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431683 408603400 /nfs/dbraw/zinc/60/34/00/408603400.db2.gz KJPWSKCSPIROOM-LSDHHAIUSA-N 2 1 317.499 1.265 20 70 DDIDMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159807276 408435736 /nfs/dbraw/zinc/43/57/36/408435736.db2.gz QNDGSGSXUXMDJL-KRWDZBQOSA-N 2 1 317.433 1.686 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160618973 354239152 /nfs/dbraw/zinc/23/91/52/354239152.db2.gz POYBMFDYJSHCEP-MRXNPFEDSA-N 2 1 320.481 1.741 20 70 DDIDMP C[NH+](C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160015254 248313114 /nfs/dbraw/zinc/31/31/14/248313114.db2.gz JUFGEZSTHUFITO-DLBZAZTESA-N 2 1 319.449 1.252 20 70 DDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C ZINC000159947764 408447056 /nfs/dbraw/zinc/44/70/56/408447056.db2.gz MSSIIGRONBMSMQ-HOCLYGCPSA-N 2 1 304.438 1.368 20 70 DDIDMP COc1ccc(CNC(=O)CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160958583 539220864 /nfs/dbraw/zinc/22/08/64/539220864.db2.gz RESLVHKNXLWXQV-HIFRSBDPSA-N 2 1 305.422 1.384 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160958583 539220865 /nfs/dbraw/zinc/22/08/65/539220865.db2.gz RESLVHKNXLWXQV-HIFRSBDPSA-N 2 1 305.422 1.384 20 70 DDIDMP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000160978006 408547628 /nfs/dbraw/zinc/54/76/28/408547628.db2.gz IEBMZHCZAVIWJF-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCC(CCNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159912716 408443450 /nfs/dbraw/zinc/44/34/50/408443450.db2.gz VZCAZKMJCCHPKH-UHFFFAOYSA-N 2 1 310.486 1.846 20 70 DDIDMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160772930 354240867 /nfs/dbraw/zinc/24/08/67/354240867.db2.gz PHEVTVFWTVSQQF-MRXNPFEDSA-N 2 1 308.470 1.643 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160514116 408492655 /nfs/dbraw/zinc/49/26/55/408492655.db2.gz DXXFYBURSKNQKE-ZNMIVQPWSA-N 2 1 313.486 1.754 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160514116 408492659 /nfs/dbraw/zinc/49/26/59/408492659.db2.gz DXXFYBURSKNQKE-ZNMIVQPWSA-N 2 1 313.486 1.754 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000160619103 354239228 /nfs/dbraw/zinc/23/92/28/354239228.db2.gz POYBMFDYJSHCEP-INIZCTEOSA-N 2 1 320.481 1.741 20 70 DDIDMP C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159453549 197355159 /nfs/dbraw/zinc/35/51/59/197355159.db2.gz FNVJFMLYQJSXCK-HLLBOEOZSA-N 2 1 319.449 1.078 20 70 DDIDMP C[C@@H](O)C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159453549 197355161 /nfs/dbraw/zinc/35/51/61/197355161.db2.gz FNVJFMLYQJSXCK-HLLBOEOZSA-N 2 1 319.449 1.078 20 70 DDIDMP C[C@@H](O)C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159453549 197355163 /nfs/dbraw/zinc/35/51/63/197355163.db2.gz FNVJFMLYQJSXCK-HLLBOEOZSA-N 2 1 319.449 1.078 20 70 DDIDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160327854 408471259 /nfs/dbraw/zinc/47/12/59/408471259.db2.gz JKXXTWMSDUVYHE-UYSNPLJNSA-N 2 1 310.486 1.890 20 70 DDIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)COC)CC1 ZINC000160363348 248314888 /nfs/dbraw/zinc/31/48/88/248314888.db2.gz ZOXIJDRPJASIGE-INIZCTEOSA-N 2 1 305.466 1.949 20 70 DDIDMP C[NH+](CCCC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000159800754 408436564 /nfs/dbraw/zinc/43/65/64/408436564.db2.gz DHBQKKRAFGKQOV-XSLAGTTESA-N 2 1 312.498 1.952 20 70 DDIDMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000160430213 408482405 /nfs/dbraw/zinc/48/24/05/408482405.db2.gz KOOLHJIHNVFTPF-HNNXBMFYSA-N 2 1 319.453 1.276 20 70 DDIDMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC)CC1 ZINC000217037383 163331328 /nfs/dbraw/zinc/33/13/28/163331328.db2.gz WLCKVYFUZBWDSP-MRXNPFEDSA-N 2 1 310.486 1.988 20 70 DDIDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC)CC1 ZINC000217037383 163331331 /nfs/dbraw/zinc/33/13/31/163331331.db2.gz WLCKVYFUZBWDSP-MRXNPFEDSA-N 2 1 310.486 1.988 20 70 DDIDMP C[C@H](O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000160718662 484067771 /nfs/dbraw/zinc/06/77/71/484067771.db2.gz PPUDFEQMFZHUQI-XIRDDKMYSA-N 2 1 319.449 1.108 20 70 DDIDMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CO)c1ccccc1 ZINC000159460197 197355054 /nfs/dbraw/zinc/35/50/54/197355054.db2.gz SUUCLCRMLJGEQJ-IAGOWNOFSA-N 2 1 319.449 1.252 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000159823942 408435667 /nfs/dbraw/zinc/43/56/67/408435667.db2.gz UKZSDUXECUDWTF-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000159823942 408435675 /nfs/dbraw/zinc/43/56/75/408435675.db2.gz UKZSDUXECUDWTF-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000159823942 408435678 /nfs/dbraw/zinc/43/56/78/408435678.db2.gz UKZSDUXECUDWTF-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)COC)CC1 ZINC000160363459 408475241 /nfs/dbraw/zinc/47/52/41/408475241.db2.gz ZOXIJDRPJASIGE-MRXNPFEDSA-N 2 1 305.466 1.949 20 70 DDIDMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160844462 282184798 /nfs/dbraw/zinc/18/47/98/282184798.db2.gz BEXYHVIWKLCMGF-GOEBONIOSA-N 2 1 308.470 1.739 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000159556290 408417484 /nfs/dbraw/zinc/41/74/84/408417484.db2.gz KSUURNPNWPQTJB-UHFFFAOYSA-N 2 1 310.486 1.846 20 70 DDIDMP COC(=O)CC[N@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000161123690 408562437 /nfs/dbraw/zinc/56/24/37/408562437.db2.gz SQKPBQURMMZQME-INIZCTEOSA-N 2 1 312.454 1.907 20 70 DDIDMP COC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000161123690 408562441 /nfs/dbraw/zinc/56/24/41/408562441.db2.gz SQKPBQURMMZQME-INIZCTEOSA-N 2 1 312.454 1.907 20 70 DDIDMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160844223 282184360 /nfs/dbraw/zinc/18/43/60/282184360.db2.gz BEXYHVIWKLCMGF-GDBMZVCRSA-N 2 1 308.470 1.739 20 70 DDIDMP C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160755273 408519717 /nfs/dbraw/zinc/51/97/17/408519717.db2.gz HOAZGHNUXVLWHB-IRXDYDNUSA-N 2 1 301.434 1.719 20 70 DDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000159523987 197361110 /nfs/dbraw/zinc/36/11/10/197361110.db2.gz LRYZFWNDSAPRQH-CQSZACIVSA-N 2 1 308.426 1.620 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000159523987 197361111 /nfs/dbraw/zinc/36/11/11/197361111.db2.gz LRYZFWNDSAPRQH-CQSZACIVSA-N 2 1 308.426 1.620 20 70 DDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000159523825 197361142 /nfs/dbraw/zinc/36/11/42/197361142.db2.gz LRYZFWNDSAPRQH-AWEZNQCLSA-N 2 1 308.426 1.620 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000159523825 197361143 /nfs/dbraw/zinc/36/11/43/197361143.db2.gz LRYZFWNDSAPRQH-AWEZNQCLSA-N 2 1 308.426 1.620 20 70 DDIDMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159602027 408418868 /nfs/dbraw/zinc/41/88/68/408418868.db2.gz FEEVKIBHIUZKGZ-INIZCTEOSA-N 2 1 312.502 1.946 20 70 DDIDMP C[NH+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000160015419 197379985 /nfs/dbraw/zinc/37/99/85/197379985.db2.gz JUFGEZSTHUFITO-SJORKVTESA-N 2 1 319.449 1.252 20 70 DDIDMP C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000159453409 197354873 /nfs/dbraw/zinc/35/48/73/197354873.db2.gz FNVJFMLYQJSXCK-YQQAZPJKSA-N 2 1 319.449 1.078 20 70 DDIDMP C[C@H](O)C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159453409 197354874 /nfs/dbraw/zinc/35/48/74/197354874.db2.gz FNVJFMLYQJSXCK-YQQAZPJKSA-N 2 1 319.449 1.078 20 70 DDIDMP C[C@H](O)C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159453409 197354875 /nfs/dbraw/zinc/35/48/75/197354875.db2.gz FNVJFMLYQJSXCK-YQQAZPJKSA-N 2 1 319.449 1.078 20 70 DDIDMP NC(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000160053639 408451851 /nfs/dbraw/zinc/45/18/51/408451851.db2.gz WSAYITWFSRIVOK-OAHLLOKOSA-N 2 1 308.470 1.916 20 70 DDIDMP NC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000160053639 408451856 /nfs/dbraw/zinc/45/18/56/408451856.db2.gz WSAYITWFSRIVOK-OAHLLOKOSA-N 2 1 308.470 1.916 20 70 DDIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160835582 408529395 /nfs/dbraw/zinc/52/93/95/408529395.db2.gz UMMKGFZVWKMEDH-RDJZCZTQSA-N 2 1 320.481 1.883 20 70 DDIDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159601921 408419311 /nfs/dbraw/zinc/41/93/11/408419311.db2.gz FEEVKIBHIUZKGZ-MRXNPFEDSA-N 2 1 312.502 1.946 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000159925864 408444391 /nfs/dbraw/zinc/44/43/91/408444391.db2.gz KTQHHVDHEXGWJR-KRWDZBQOSA-N 2 1 322.497 1.988 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000159925864 408444396 /nfs/dbraw/zinc/44/43/96/408444396.db2.gz KTQHHVDHEXGWJR-KRWDZBQOSA-N 2 1 322.497 1.988 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000159925864 408444400 /nfs/dbraw/zinc/44/44/00/408444400.db2.gz KTQHHVDHEXGWJR-KRWDZBQOSA-N 2 1 322.497 1.988 20 70 DDIDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431551 408601735 /nfs/dbraw/zinc/60/17/35/408601735.db2.gz KJPWSKCSPIROOM-HUUCEWRRSA-N 2 1 317.499 1.265 20 70 DDIDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431551 408601739 /nfs/dbraw/zinc/60/17/39/408601739.db2.gz KJPWSKCSPIROOM-HUUCEWRRSA-N 2 1 317.499 1.265 20 70 DDIDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431551 408601741 /nfs/dbraw/zinc/60/17/41/408601741.db2.gz KJPWSKCSPIROOM-HUUCEWRRSA-N 2 1 317.499 1.265 20 70 DDIDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159884862 408441133 /nfs/dbraw/zinc/44/11/33/408441133.db2.gz NRRZCAJTNKUPBA-MRXNPFEDSA-N 2 1 310.486 1.988 20 70 DDIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160638204 408506132 /nfs/dbraw/zinc/50/61/32/408506132.db2.gz LJLCBEOCIZMEBB-HNNXBMFYSA-N 2 1 322.453 1.360 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000160980186 408546827 /nfs/dbraw/zinc/54/68/27/408546827.db2.gz NPJDTTCJCZPDDL-KEYYUXOJSA-N 2 1 319.449 1.630 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000160980186 408546830 /nfs/dbraw/zinc/54/68/30/408546830.db2.gz NPJDTTCJCZPDDL-KEYYUXOJSA-N 2 1 319.449 1.630 20 70 DDIDMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160694502 354240163 /nfs/dbraw/zinc/24/01/63/354240163.db2.gz ANDKZZBTFSUMBY-INIZCTEOSA-N 2 1 310.486 1.700 20 70 DDIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160599146 408502258 /nfs/dbraw/zinc/50/22/58/408502258.db2.gz HMVNDJZMFFKULT-LPHOPBHVSA-N 2 1 317.477 1.949 20 70 DDIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160835728 408529288 /nfs/dbraw/zinc/52/92/88/408529288.db2.gz UMMKGFZVWKMEDH-WBVHZDCISA-N 2 1 320.481 1.883 20 70 DDIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCn2ccnc2C1 ZINC000161464950 408604190 /nfs/dbraw/zinc/60/41/90/408604190.db2.gz GZZDAZMLZZUULH-UONOGXRCSA-N 2 1 302.422 1.579 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000159886028 276162420 /nfs/dbraw/zinc/16/24/20/276162420.db2.gz BMYXHTVVYJIFJS-HNNXBMFYSA-N 2 1 308.470 1.741 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000159886028 276162421 /nfs/dbraw/zinc/16/24/21/276162421.db2.gz BMYXHTVVYJIFJS-HNNXBMFYSA-N 2 1 308.470 1.741 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000159886028 276162424 /nfs/dbraw/zinc/16/24/24/276162424.db2.gz BMYXHTVVYJIFJS-HNNXBMFYSA-N 2 1 308.470 1.741 20 70 DDIDMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160638336 408505515 /nfs/dbraw/zinc/50/55/15/408505515.db2.gz LJLCBEOCIZMEBB-OAHLLOKOSA-N 2 1 322.453 1.360 20 70 DDIDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOCC2CC2)CC1 ZINC000159956250 408447643 /nfs/dbraw/zinc/44/76/43/408447643.db2.gz VNLIQQFRBFEJPK-IAGOWNOFSA-N 2 1 309.498 1.903 20 70 DDIDMP CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160929442 408539878 /nfs/dbraw/zinc/53/98/78/408539878.db2.gz BOGHJXGWIKSPFN-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000160929442 408539883 /nfs/dbraw/zinc/53/98/83/408539883.db2.gz BOGHJXGWIKSPFN-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP C[C@@H](O)[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000160718533 484068146 /nfs/dbraw/zinc/06/81/46/484068146.db2.gz PPUDFEQMFZHUQI-OIISXLGYSA-N 2 1 319.449 1.108 20 70 DDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000159788256 197364473 /nfs/dbraw/zinc/36/44/73/197364473.db2.gz VRHCTAUFEPUHEB-AWEZNQCLSA-N 2 1 307.442 1.565 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000159788256 197364475 /nfs/dbraw/zinc/36/44/75/197364475.db2.gz VRHCTAUFEPUHEB-AWEZNQCLSA-N 2 1 307.442 1.565 20 70 DDIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCn2ccnc2C1 ZINC000161465042 408604490 /nfs/dbraw/zinc/60/44/90/408604490.db2.gz GZZDAZMLZZUULH-KGLIPLIRSA-N 2 1 302.422 1.579 20 70 DDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161154222 408566045 /nfs/dbraw/zinc/56/60/45/408566045.db2.gz KALQRXPCAHGOEH-CABCVRRESA-N 2 1 305.470 1.867 20 70 DDIDMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161072267 408556934 /nfs/dbraw/zinc/55/69/34/408556934.db2.gz QKLSGSRGLDCUQN-SFHVURJKSA-N 2 1 309.498 1.907 20 70 DDIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160775474 354240794 /nfs/dbraw/zinc/24/07/94/354240794.db2.gz CBXUKBWKTACCTD-MRXNPFEDSA-N 2 1 322.497 1.987 20 70 DDIDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160854751 408532617 /nfs/dbraw/zinc/53/26/17/408532617.db2.gz AKZGVRXVNSCCTB-HZPDHXFCSA-N 2 1 322.497 1.987 20 70 DDIDMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160854751 408532625 /nfs/dbraw/zinc/53/26/25/408532625.db2.gz AKZGVRXVNSCCTB-HZPDHXFCSA-N 2 1 322.497 1.987 20 70 DDIDMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160854751 408532633 /nfs/dbraw/zinc/53/26/33/408532633.db2.gz AKZGVRXVNSCCTB-HZPDHXFCSA-N 2 1 322.497 1.987 20 70 DDIDMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCn2ccnc2C1 ZINC000161464833 408605653 /nfs/dbraw/zinc/60/56/53/408605653.db2.gz GZZDAZMLZZUULH-ZIAGYGMSSA-N 2 1 302.422 1.579 20 70 DDIDMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160699895 354239900 /nfs/dbraw/zinc/23/99/00/354239900.db2.gz AKLINSKZJQUZEK-HZPDHXFCSA-N 2 1 308.470 1.454 20 70 DDIDMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160699895 354239904 /nfs/dbraw/zinc/23/99/04/354239904.db2.gz AKLINSKZJQUZEK-HZPDHXFCSA-N 2 1 308.470 1.454 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160676123 354240389 /nfs/dbraw/zinc/24/03/89/354240389.db2.gz AXKCJJONYQSBOB-CVEARBPZSA-N 2 1 306.454 1.350 20 70 DDIDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOCC2CC2)CC1 ZINC000159956119 408446370 /nfs/dbraw/zinc/44/63/70/408446370.db2.gz VNLIQQFRBFEJPK-IRXDYDNUSA-N 2 1 309.498 1.903 20 70 DDIDMP COc1cccc(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000159370001 408402284 /nfs/dbraw/zinc/40/22/84/408402284.db2.gz YKSDEAIWTKGCHH-KRWDZBQOSA-N 2 1 317.433 1.609 20 70 DDIDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000161440132 408602325 /nfs/dbraw/zinc/60/23/25/408602325.db2.gz IXFVJXONKDFRMV-UHFFFAOYSA-N 2 1 305.426 1.461 20 70 DDIDMP CCOCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160246057 197395117 /nfs/dbraw/zinc/39/51/17/197395117.db2.gz NCWWAGNZSRJYGW-INIZCTEOSA-N 2 1 307.438 1.374 20 70 DDIDMP CCOCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160246057 197395120 /nfs/dbraw/zinc/39/51/20/197395120.db2.gz NCWWAGNZSRJYGW-INIZCTEOSA-N 2 1 307.438 1.374 20 70 DDIDMP C[N@H+]1CCCC[C@H]1CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161012954 408549242 /nfs/dbraw/zinc/54/92/42/408549242.db2.gz GAIRLALPSQLJLN-IBGZPJMESA-N 2 1 322.541 1.964 20 70 DDIDMP CC(C)N1CCO[C@H](CN2CCN(Cc3ccsc3)CC2)C1 ZINC000161316036 408586227 /nfs/dbraw/zinc/58/62/27/408586227.db2.gz SCTLBCHAJNIOSR-QGZVFWFLSA-N 2 1 323.506 1.975 20 70 DDIDMP CCN1CC[NH+](CCC(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000159819652 408436089 /nfs/dbraw/zinc/43/60/89/408436089.db2.gz MRHQAGGWIURSGC-UHFFFAOYSA-N 2 1 322.497 1.005 20 70 DDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160755135 408519992 /nfs/dbraw/zinc/51/99/92/408519992.db2.gz HOAZGHNUXVLWHB-DLBZAZTESA-N 2 1 301.434 1.719 20 70 DDIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)COC)cc2)CC1 ZINC000160331207 408470980 /nfs/dbraw/zinc/47/09/80/408470980.db2.gz DDAROTFSUOCXIR-MRXNPFEDSA-N 2 1 305.466 1.949 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160656149 354240087 /nfs/dbraw/zinc/24/00/87/354240087.db2.gz LUOUGUVGNWXRGD-SJORKVTESA-N 2 1 320.481 1.741 20 70 DDIDMP CC[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)[NH3+])cc2F)CC1 ZINC000160023388 197380125 /nfs/dbraw/zinc/38/01/25/197380125.db2.gz RWAVANOZTAYBJK-UHFFFAOYSA-N 2 1 322.428 1.435 20 70 DDIDMP CCC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159788392 408433675 /nfs/dbraw/zinc/43/36/75/408433675.db2.gz SZTZOWZMKPMKBZ-UHFFFAOYSA-N 2 1 310.486 1.846 20 70 DDIDMP C[N@H+](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000160209455 408463375 /nfs/dbraw/zinc/46/33/75/408463375.db2.gz DLAOYWNEJKBDLB-KRWDZBQOSA-N 2 1 319.449 1.081 20 70 DDIDMP C[N@@H+](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000160209455 408463381 /nfs/dbraw/zinc/46/33/81/408463381.db2.gz DLAOYWNEJKBDLB-KRWDZBQOSA-N 2 1 319.449 1.081 20 70 DDIDMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000160353275 408476096 /nfs/dbraw/zinc/47/60/96/408476096.db2.gz MIDAOXGHWQYGCL-QGZVFWFLSA-N 2 1 316.449 1.278 20 70 DDIDMP CC(C)[N@@H+]1C[C@H](NC(=O)CN(C)Cc2ccccc2)[C@@H](C)C1 ZINC000161099660 408559767 /nfs/dbraw/zinc/55/97/67/408559767.db2.gz VFYIJXGCLMXKKZ-RDJZCZTQSA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000161099660 408559769 /nfs/dbraw/zinc/55/97/69/408559769.db2.gz VFYIJXGCLMXKKZ-RDJZCZTQSA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000161099660 408559773 /nfs/dbraw/zinc/55/97/73/408559773.db2.gz VFYIJXGCLMXKKZ-RDJZCZTQSA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000161099660 408559775 /nfs/dbraw/zinc/55/97/75/408559775.db2.gz VFYIJXGCLMXKKZ-RDJZCZTQSA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000161099660 408559780 /nfs/dbraw/zinc/55/97/80/408559780.db2.gz VFYIJXGCLMXKKZ-RDJZCZTQSA-N 2 1 303.450 1.963 20 70 DDIDMP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160635867 354239937 /nfs/dbraw/zinc/23/99/37/354239937.db2.gz FUCGCOCBMCVQLM-KRWDZBQOSA-N 2 1 322.497 1.844 20 70 DDIDMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159789316 408432714 /nfs/dbraw/zinc/43/27/14/408432714.db2.gz WITSZNGYLNOIDM-UHFFFAOYSA-N 2 1 310.486 1.988 20 70 DDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160462426 524896541 /nfs/dbraw/zinc/89/65/41/524896541.db2.gz DNBFCPWHVGJODY-APWZRJJASA-N 2 1 317.477 1.949 20 70 DDIDMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000160721815 408516591 /nfs/dbraw/zinc/51/65/91/408516591.db2.gz QUDVHTDCMHFPPA-IRXDYDNUSA-N 2 1 301.434 1.861 20 70 DDIDMP CC(C)[C@H](C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000160267787 408467295 /nfs/dbraw/zinc/46/72/95/408467295.db2.gz TVCZAECLCDLWTO-OAHLLOKOSA-N 2 1 313.486 1.389 20 70 DDIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000160705481 408515219 /nfs/dbraw/zinc/51/52/19/408515219.db2.gz GKHQTEUNWYLJAY-OAHLLOKOSA-N 2 1 319.440 1.542 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000159885907 279286237 /nfs/dbraw/zinc/28/62/37/279286237.db2.gz BMYXHTVVYJIFJS-OAHLLOKOSA-N 2 1 308.470 1.741 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000159885907 279286239 /nfs/dbraw/zinc/28/62/39/279286239.db2.gz BMYXHTVVYJIFJS-OAHLLOKOSA-N 2 1 308.470 1.741 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000159885907 279286241 /nfs/dbraw/zinc/28/62/41/279286241.db2.gz BMYXHTVVYJIFJS-OAHLLOKOSA-N 2 1 308.470 1.741 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160656416 354240400 /nfs/dbraw/zinc/24/04/00/354240400.db2.gz LUOUGUVGNWXRGD-IRXDYDNUSA-N 2 1 320.481 1.741 20 70 DDIDMP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000160969064 408545861 /nfs/dbraw/zinc/54/58/61/408545861.db2.gz MRXNEXSQZCDDQE-PBHICJAKSA-N 2 1 319.449 1.631 20 70 DDIDMP CC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000160969064 408545866 /nfs/dbraw/zinc/54/58/66/408545866.db2.gz MRXNEXSQZCDDQE-PBHICJAKSA-N 2 1 319.449 1.631 20 70 DDIDMP CCCS(=O)(=O)NC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161396626 408597409 /nfs/dbraw/zinc/59/74/09/408597409.db2.gz BOQHFOLXIDUVLK-HNNXBMFYSA-N 2 1 317.499 1.265 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160676377 354240122 /nfs/dbraw/zinc/24/01/22/354240122.db2.gz AXKCJJONYQSBOB-HOTGVXAUSA-N 2 1 306.454 1.350 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159624227 408422516 /nfs/dbraw/zinc/42/25/16/408422516.db2.gz MGUAIBWNZCRRIA-HOTGVXAUSA-N 2 1 310.486 1.844 20 70 DDIDMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000161072397 408556696 /nfs/dbraw/zinc/55/66/96/408556696.db2.gz QKLSGSRGLDCUQN-GOSISDBHSA-N 2 1 309.498 1.907 20 70 DDIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161265810 282070075 /nfs/dbraw/zinc/07/00/75/282070075.db2.gz CBBFMECOAUHMMV-OKILXGFUSA-N 2 1 313.486 1.756 20 70 DDIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161265810 282070077 /nfs/dbraw/zinc/07/00/77/282070077.db2.gz CBBFMECOAUHMMV-OKILXGFUSA-N 2 1 313.486 1.756 20 70 DDIDMP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)[nH+]c1 ZINC000160995851 484070754 /nfs/dbraw/zinc/07/07/54/484070754.db2.gz HFSYROHNCZZLEH-HZPDHXFCSA-N 2 1 316.449 1.993 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000159823808 408436453 /nfs/dbraw/zinc/43/64/53/408436453.db2.gz UKZSDUXECUDWTF-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000159823808 408436458 /nfs/dbraw/zinc/43/64/58/408436458.db2.gz UKZSDUXECUDWTF-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000159823808 408436462 /nfs/dbraw/zinc/43/64/62/408436462.db2.gz UKZSDUXECUDWTF-INIZCTEOSA-N 2 1 310.486 1.844 20 70 DDIDMP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160754888 408519077 /nfs/dbraw/zinc/51/90/77/408519077.db2.gz HOAZGHNUXVLWHB-IAGOWNOFSA-N 2 1 301.434 1.719 20 70 DDIDMP CCC(CC)(C[NH3+])C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161272592 408582163 /nfs/dbraw/zinc/58/21/63/408582163.db2.gz DWQYEIMCXIDCCZ-GASCZTMLSA-N 2 1 313.486 1.757 20 70 DDIDMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160975307 277388080 /nfs/dbraw/zinc/38/80/80/277388080.db2.gz IIMZYMUOOOMTEG-KRWDZBQOSA-N 2 1 322.497 1.987 20 70 DDIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160975307 277388082 /nfs/dbraw/zinc/38/80/82/277388082.db2.gz IIMZYMUOOOMTEG-KRWDZBQOSA-N 2 1 322.497 1.987 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160434882 408481746 /nfs/dbraw/zinc/48/17/46/408481746.db2.gz RPODASNEYOIISV-MRXNPFEDSA-N 2 1 319.449 1.521 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160434882 408481747 /nfs/dbraw/zinc/48/17/47/408481747.db2.gz RPODASNEYOIISV-MRXNPFEDSA-N 2 1 319.449 1.521 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000159774307 279285062 /nfs/dbraw/zinc/28/50/62/279285062.db2.gz FZOZDSJWAHFXPU-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159714043 408427716 /nfs/dbraw/zinc/42/77/16/408427716.db2.gz GOKXAQVLALPPCE-INIZCTEOSA-N 2 1 310.486 1.846 20 70 DDIDMP C[N@H+](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000160209596 408463584 /nfs/dbraw/zinc/46/35/84/408463584.db2.gz DLAOYWNEJKBDLB-QGZVFWFLSA-N 2 1 319.449 1.081 20 70 DDIDMP C[N@@H+](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000160209596 408463587 /nfs/dbraw/zinc/46/35/87/408463587.db2.gz DLAOYWNEJKBDLB-QGZVFWFLSA-N 2 1 319.449 1.081 20 70 DDIDMP COCC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160148705 408459639 /nfs/dbraw/zinc/45/96/39/408459639.db2.gz HCOKVWTVHUUQGX-UHFFFAOYSA-N 2 1 307.438 1.446 20 70 DDIDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)COC)cc2)CC1 ZINC000160331071 408469634 /nfs/dbraw/zinc/46/96/34/408469634.db2.gz DDAROTFSUOCXIR-INIZCTEOSA-N 2 1 305.466 1.949 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159713901 408426896 /nfs/dbraw/zinc/42/68/96/408426896.db2.gz GOKXAQVLALPPCE-MRXNPFEDSA-N 2 1 310.486 1.846 20 70 DDIDMP CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160327994 408470303 /nfs/dbraw/zinc/47/03/03/408470303.db2.gz JKXXTWMSDUVYHE-GPANFISMSA-N 2 1 310.486 1.890 20 70 DDIDMP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000160969219 408544801 /nfs/dbraw/zinc/54/48/01/408544801.db2.gz MRXNEXSQZCDDQE-RHSMWYFYSA-N 2 1 319.449 1.631 20 70 DDIDMP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(OC)cc2)[C@H](C)C1 ZINC000160969219 408544809 /nfs/dbraw/zinc/54/48/09/408544809.db2.gz MRXNEXSQZCDDQE-RHSMWYFYSA-N 2 1 319.449 1.631 20 70 DDIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCn2ccnc2C1 ZINC000161465152 408605231 /nfs/dbraw/zinc/60/52/31/408605231.db2.gz GZZDAZMLZZUULH-KBPBESRZSA-N 2 1 302.422 1.579 20 70 DDIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161265928 282069965 /nfs/dbraw/zinc/06/99/65/282069965.db2.gz CBBFMECOAUHMMV-ZIAGYGMSSA-N 2 1 313.486 1.756 20 70 DDIDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000216917336 484141607 /nfs/dbraw/zinc/14/16/07/484141607.db2.gz JHVOWJRKJQMQMK-IAGOWNOFSA-N 2 1 322.497 1.987 20 70 DDIDMP CCC[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1C)N(C)C ZINC000160584730 408499108 /nfs/dbraw/zinc/49/91/08/408499108.db2.gz XCJXQIQPZMNLJP-OAHLLOKOSA-N 2 1 320.437 1.895 20 70 DDIDMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160844327 282253422 /nfs/dbraw/zinc/25/34/22/282253422.db2.gz BEXYHVIWKLCMGF-ZBFHGGJFSA-N 2 1 308.470 1.739 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000159712448 285209916 /nfs/dbraw/zinc/20/99/16/285209916.db2.gz HGMYCAJTTRXVNY-UHFFFAOYSA-N 2 1 310.486 1.987 20 70 DDIDMP CCN1CC[NH+](CCC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000159679175 521677703 /nfs/dbraw/zinc/67/77/03/521677703.db2.gz ITEMUPROVWHUKC-UHFFFAOYSA-N 2 1 324.513 1.443 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCC[NH+](C)Cc2ccccc2)CC1 ZINC000159736872 186138611 /nfs/dbraw/zinc/13/86/11/186138611.db2.gz SMXFREOABDFRNP-UHFFFAOYSA-N 2 1 318.465 1.856 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000159736872 186138613 /nfs/dbraw/zinc/13/86/13/186138613.db2.gz SMXFREOABDFRNP-UHFFFAOYSA-N 2 1 318.465 1.856 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000159736872 186138615 /nfs/dbraw/zinc/13/86/15/186138615.db2.gz SMXFREOABDFRNP-UHFFFAOYSA-N 2 1 318.465 1.856 20 70 DDIDMP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000160755017 197436434 /nfs/dbraw/zinc/43/64/34/197436434.db2.gz HOAZGHNUXVLWHB-SJORKVTESA-N 2 1 301.434 1.719 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000159925708 408443970 /nfs/dbraw/zinc/44/39/70/408443970.db2.gz KTQHHVDHEXGWJR-QGZVFWFLSA-N 2 1 322.497 1.988 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000159925708 408443974 /nfs/dbraw/zinc/44/39/74/408443974.db2.gz KTQHHVDHEXGWJR-QGZVFWFLSA-N 2 1 322.497 1.988 20 70 DDIDMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000159925708 408443976 /nfs/dbraw/zinc/44/39/76/408443976.db2.gz KTQHHVDHEXGWJR-QGZVFWFLSA-N 2 1 322.497 1.988 20 70 DDIDMP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](C)CC1 ZINC000161474107 408605052 /nfs/dbraw/zinc/60/50/52/408605052.db2.gz PFRJLIFWMSWCNU-SNVBAGLBSA-N 2 1 301.232 1.718 20 70 DDIDMP CCOCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160246220 197394667 /nfs/dbraw/zinc/39/46/67/197394667.db2.gz NCWWAGNZSRJYGW-MRXNPFEDSA-N 2 1 307.438 1.374 20 70 DDIDMP CCOCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160246220 197394669 /nfs/dbraw/zinc/39/46/69/197394669.db2.gz NCWWAGNZSRJYGW-MRXNPFEDSA-N 2 1 307.438 1.374 20 70 DDIDMP C[C@H]1CCOCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160535569 408495112 /nfs/dbraw/zinc/49/51/12/408495112.db2.gz VXLKKDMNYFWBNO-RDJZCZTQSA-N 2 1 319.449 1.516 20 70 DDIDMP C[C@H]1CCOCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160535569 408495114 /nfs/dbraw/zinc/49/51/14/408495114.db2.gz VXLKKDMNYFWBNO-RDJZCZTQSA-N 2 1 319.449 1.516 20 70 DDIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2 ZINC000161154354 408566148 /nfs/dbraw/zinc/56/61/48/408566148.db2.gz KALQRXPCAHGOEH-GJZGRUSLSA-N 2 1 305.470 1.867 20 70 DDIDMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160773058 354240736 /nfs/dbraw/zinc/24/07/36/354240736.db2.gz PHEVTVFWTVSQQF-INIZCTEOSA-N 2 1 308.470 1.643 20 70 DDIDMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159884997 408441589 /nfs/dbraw/zinc/44/15/89/408441589.db2.gz NRRZCAJTNKUPBA-INIZCTEOSA-N 2 1 310.486 1.988 20 70 DDIDMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160844583 282253515 /nfs/dbraw/zinc/25/35/15/282253515.db2.gz BEXYHVIWKLCMGF-HOCLYGCPSA-N 2 1 308.470 1.739 20 70 DDIDMP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000160977874 408546810 /nfs/dbraw/zinc/54/68/10/408546810.db2.gz IEBMZHCZAVIWJF-MRXNPFEDSA-N 2 1 310.486 1.844 20 70 DDIDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160871880 408535137 /nfs/dbraw/zinc/53/51/37/408535137.db2.gz KHDJBYQCLZXIQF-WBVHZDCISA-N 2 1 322.497 1.985 20 70 DDIDMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160871880 408535142 /nfs/dbraw/zinc/53/51/42/408535142.db2.gz KHDJBYQCLZXIQF-WBVHZDCISA-N 2 1 322.497 1.985 20 70 DDIDMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160871880 408535146 /nfs/dbraw/zinc/53/51/46/408535146.db2.gz KHDJBYQCLZXIQF-WBVHZDCISA-N 2 1 322.497 1.985 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000160913584 408540059 /nfs/dbraw/zinc/54/00/59/408540059.db2.gz VMXUZDMIABYQJC-AWEZNQCLSA-N 2 1 306.454 1.493 20 70 DDIDMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000160913584 408540064 /nfs/dbraw/zinc/54/00/64/408540064.db2.gz VMXUZDMIABYQJC-AWEZNQCLSA-N 2 1 306.454 1.493 20 70 DDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C ZINC000159947646 274355564 /nfs/dbraw/zinc/35/55/64/274355564.db2.gz MSSIIGRONBMSMQ-ZBFHGGJFSA-N 2 1 304.438 1.368 20 70 DDIDMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCOC(C)(C)C3)cn2)CC1 ZINC000160430112 408482649 /nfs/dbraw/zinc/48/26/49/408482649.db2.gz KOOLHJIHNVFTPF-OAHLLOKOSA-N 2 1 319.453 1.276 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000160980427 408547866 /nfs/dbraw/zinc/54/78/66/408547866.db2.gz NPJDTTCJCZPDDL-JKIFEVAISA-N 2 1 319.449 1.630 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000160980427 408547871 /nfs/dbraw/zinc/54/78/71/408547871.db2.gz NPJDTTCJCZPDDL-JKIFEVAISA-N 2 1 319.449 1.630 20 70 DDIDMP COc1ccc(CNC(=O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000160958320 539220803 /nfs/dbraw/zinc/22/08/03/539220803.db2.gz RESLVHKNXLWXQV-UKRRQHHQSA-N 2 1 305.422 1.384 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000160958320 539220805 /nfs/dbraw/zinc/22/08/05/539220805.db2.gz RESLVHKNXLWXQV-UKRRQHHQSA-N 2 1 305.422 1.384 20 70 DDIDMP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)[nH+]c1 ZINC000160995591 484071515 /nfs/dbraw/zinc/07/15/15/484071515.db2.gz HFSYROHNCZZLEH-JKSUJKDBSA-N 2 1 316.449 1.993 20 70 DDIDMP O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000160556162 354239068 /nfs/dbraw/zinc/23/90/68/354239068.db2.gz DFCRXJXLTZCHSM-YOEHRIQHSA-N 2 1 305.466 1.994 20 70 DDIDMP CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000160046935 408452937 /nfs/dbraw/zinc/45/29/37/408452937.db2.gz VEYKXTLSXGJKLX-UHFFFAOYSA-N 2 1 311.470 1.288 20 70 DDIDMP CC[N@@H+](CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000160046935 408452941 /nfs/dbraw/zinc/45/29/41/408452941.db2.gz VEYKXTLSXGJKLX-UHFFFAOYSA-N 2 1 311.470 1.288 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000160980303 408546930 /nfs/dbraw/zinc/54/69/30/408546930.db2.gz NPJDTTCJCZPDDL-CKEIUWERSA-N 2 1 319.449 1.630 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000160980303 408546935 /nfs/dbraw/zinc/54/69/35/408546935.db2.gz NPJDTTCJCZPDDL-CKEIUWERSA-N 2 1 319.449 1.630 20 70 DDIDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160872014 408534889 /nfs/dbraw/zinc/53/48/89/408534889.db2.gz KHDJBYQCLZXIQF-NVXWUHKLSA-N 2 1 322.497 1.985 20 70 DDIDMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160872014 408534892 /nfs/dbraw/zinc/53/48/92/408534892.db2.gz KHDJBYQCLZXIQF-NVXWUHKLSA-N 2 1 322.497 1.985 20 70 DDIDMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160872014 408534895 /nfs/dbraw/zinc/53/48/95/408534895.db2.gz KHDJBYQCLZXIQF-NVXWUHKLSA-N 2 1 322.497 1.985 20 70 DDIDMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160694422 354240278 /nfs/dbraw/zinc/24/02/78/354240278.db2.gz ANDKZZBTFSUMBY-MRXNPFEDSA-N 2 1 310.486 1.700 20 70 DDIDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000161137225 408562982 /nfs/dbraw/zinc/56/29/82/408562982.db2.gz KQIOEFYSTYIWTE-LBPRGKRZSA-N 2 1 313.804 1.766 20 70 DDIDMP CC(C)N1CCO[C@@H](CN2CCN(Cc3ccsc3)CC2)C1 ZINC000161316170 408586355 /nfs/dbraw/zinc/58/63/55/408586355.db2.gz SCTLBCHAJNIOSR-KRWDZBQOSA-N 2 1 323.506 1.975 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000160714437 484068273 /nfs/dbraw/zinc/06/82/73/484068273.db2.gz SODTWNMHMXYDQN-INIZCTEOSA-N 2 1 306.454 1.208 20 70 DDIDMP Cc1ccc(N2CCC(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)[nH+]c1 ZINC000160995709 484070765 /nfs/dbraw/zinc/07/07/65/484070765.db2.gz HFSYROHNCZZLEH-HOTGVXAUSA-N 2 1 316.449 1.993 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000159553827 408417584 /nfs/dbraw/zinc/41/75/84/408417584.db2.gz QJIXOZWWZVFMDJ-UHFFFAOYSA-N 2 1 318.465 1.985 20 70 DDIDMP Cc1ccc(N2CCC(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)[nH+]c1 ZINC000160995974 484070909 /nfs/dbraw/zinc/07/09/09/484070909.db2.gz HFSYROHNCZZLEH-CVEARBPZSA-N 2 1 316.449 1.993 20 70 DDIDMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000161061535 408553523 /nfs/dbraw/zinc/55/35/23/408553523.db2.gz UMLFJOZJJHQMJM-UHFFFAOYSA-N 2 1 307.413 1.716 20 70 DDIDMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160775597 354240940 /nfs/dbraw/zinc/24/09/40/354240940.db2.gz CBXUKBWKTACCTD-INIZCTEOSA-N 2 1 322.497 1.987 20 70 DDIDMP C[N@H+]1CCCC[C@@H]1CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161012841 408550633 /nfs/dbraw/zinc/55/06/33/408550633.db2.gz GAIRLALPSQLJLN-LJQANCHMSA-N 2 1 322.541 1.964 20 70 DDIDMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160975191 408545660 /nfs/dbraw/zinc/54/56/60/408545660.db2.gz IIMZYMUOOOMTEG-QGZVFWFLSA-N 2 1 322.497 1.987 20 70 DDIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000160975191 408545666 /nfs/dbraw/zinc/54/56/66/408545666.db2.gz IIMZYMUOOOMTEG-QGZVFWFLSA-N 2 1 322.497 1.987 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000160982228 408547541 /nfs/dbraw/zinc/54/75/41/408547541.db2.gz SUXNDEGZIBWGOV-CJNGLKHVSA-N 2 1 305.422 1.241 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000160982228 408547545 /nfs/dbraw/zinc/54/75/45/408547545.db2.gz SUXNDEGZIBWGOV-CJNGLKHVSA-N 2 1 305.422 1.241 20 70 DDIDMP COC(=O)CC[N@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000161123811 408561346 /nfs/dbraw/zinc/56/13/46/408561346.db2.gz SQKPBQURMMZQME-MRXNPFEDSA-N 2 1 312.454 1.907 20 70 DDIDMP COC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCCO1 ZINC000161123811 408561351 /nfs/dbraw/zinc/56/13/51/408561351.db2.gz SQKPBQURMMZQME-MRXNPFEDSA-N 2 1 312.454 1.907 20 70 DDIDMP CC(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161425790 484074222 /nfs/dbraw/zinc/07/42/22/484074222.db2.gz RYTOWIVCAPEDFE-LJIZCISZSA-N 2 1 311.470 1.506 20 70 DDIDMP CC[N@@H+](C)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159589445 284336232 /nfs/dbraw/zinc/33/62/32/284336232.db2.gz FQTPCNZSQOPMSR-RDJZCZTQSA-N 2 1 318.465 1.758 20 70 DDIDMP CC[NH+](C)CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159589445 284336237 /nfs/dbraw/zinc/33/62/37/284336237.db2.gz FQTPCNZSQOPMSR-RDJZCZTQSA-N 2 1 318.465 1.758 20 70 DDIDMP CC[NH+](C)CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159589445 284336241 /nfs/dbraw/zinc/33/62/41/284336241.db2.gz FQTPCNZSQOPMSR-RDJZCZTQSA-N 2 1 318.465 1.758 20 70 DDIDMP C[C@@H](O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000160718798 484068422 /nfs/dbraw/zinc/06/84/22/484068422.db2.gz PPUDFEQMFZHUQI-PVAVHDDUSA-N 2 1 319.449 1.108 20 70 DDIDMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160675981 354240143 /nfs/dbraw/zinc/24/01/43/354240143.db2.gz AXKCJJONYQSBOB-HZPDHXFCSA-N 2 1 306.454 1.350 20 70 DDIDMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160676251 354240017 /nfs/dbraw/zinc/24/00/17/354240017.db2.gz AXKCJJONYQSBOB-JKSUJKDBSA-N 2 1 306.454 1.350 20 70 DDIDMP NC(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1 ZINC000160053531 408451039 /nfs/dbraw/zinc/45/10/39/408451039.db2.gz WSAYITWFSRIVOK-HNNXBMFYSA-N 2 1 308.470 1.916 20 70 DDIDMP NC(=O)N1CCC([NH2+][C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000160053531 408451041 /nfs/dbraw/zinc/45/10/41/408451041.db2.gz WSAYITWFSRIVOK-HNNXBMFYSA-N 2 1 308.470 1.916 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160434803 408480970 /nfs/dbraw/zinc/48/09/70/408480970.db2.gz RPODASNEYOIISV-INIZCTEOSA-N 2 1 319.449 1.521 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160434803 408480975 /nfs/dbraw/zinc/48/09/75/408480975.db2.gz RPODASNEYOIISV-INIZCTEOSA-N 2 1 319.449 1.521 20 70 DDIDMP C[C@@H]1CCOCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160535457 408494225 /nfs/dbraw/zinc/49/42/25/408494225.db2.gz VXLKKDMNYFWBNO-WBVHZDCISA-N 2 1 319.449 1.516 20 70 DDIDMP C[C@@H]1CCOCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160535457 408494230 /nfs/dbraw/zinc/49/42/30/408494230.db2.gz VXLKKDMNYFWBNO-WBVHZDCISA-N 2 1 319.449 1.516 20 70 DDIDMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](C)CC1 ZINC000161474004 197497119 /nfs/dbraw/zinc/49/71/19/197497119.db2.gz PFRJLIFWMSWCNU-JTQLQIEISA-N 2 1 301.232 1.718 20 70 DDIDMP CC[N@@H+]1CCCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000159902545 197372135 /nfs/dbraw/zinc/37/21/35/197372135.db2.gz DUWZYRISDYJPEP-UHFFFAOYSA-N 2 1 307.442 1.709 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000159902545 197372137 /nfs/dbraw/zinc/37/21/37/197372137.db2.gz DUWZYRISDYJPEP-UHFFFAOYSA-N 2 1 307.442 1.709 20 70 DDIDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOCC2CC2)CC1 ZINC000159955999 408445680 /nfs/dbraw/zinc/44/56/80/408445680.db2.gz VNLIQQFRBFEJPK-CALCHBBNSA-N 2 1 309.498 1.903 20 70 DDIDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOCC2CC2)CC1 ZINC000159955999 408445682 /nfs/dbraw/zinc/44/56/82/408445682.db2.gz VNLIQQFRBFEJPK-CALCHBBNSA-N 2 1 309.498 1.903 20 70 DDIDMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159807410 408435153 /nfs/dbraw/zinc/43/51/53/408435153.db2.gz QNDGSGSXUXMDJL-QGZVFWFLSA-N 2 1 317.433 1.686 20 70 DDIDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000160854610 408531024 /nfs/dbraw/zinc/53/10/24/408531024.db2.gz AKZGVRXVNSCCTB-JKSUJKDBSA-N 2 1 322.497 1.987 20 70 DDIDMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160854610 408531033 /nfs/dbraw/zinc/53/10/33/408531033.db2.gz AKZGVRXVNSCCTB-JKSUJKDBSA-N 2 1 322.497 1.987 20 70 DDIDMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160854610 408531041 /nfs/dbraw/zinc/53/10/41/408531041.db2.gz AKZGVRXVNSCCTB-JKSUJKDBSA-N 2 1 322.497 1.987 20 70 DDIDMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160827087 408527889 /nfs/dbraw/zinc/52/78/89/408527889.db2.gz HOWMVHWBORJIEO-OAHLLOKOSA-N 2 1 308.470 1.741 20 70 DDIDMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H]1CO)c1ccccc1 ZINC000159460064 197355114 /nfs/dbraw/zinc/35/51/14/197355114.db2.gz SUUCLCRMLJGEQJ-SJORKVTESA-N 2 1 319.449 1.252 20 70 DDIDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC000161099530 408559817 /nfs/dbraw/zinc/55/98/17/408559817.db2.gz VFYIJXGCLMXKKZ-WBVHZDCISA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000161099530 408559822 /nfs/dbraw/zinc/55/98/22/408559822.db2.gz VFYIJXGCLMXKKZ-WBVHZDCISA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000161099530 408559825 /nfs/dbraw/zinc/55/98/25/408559825.db2.gz VFYIJXGCLMXKKZ-WBVHZDCISA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000161099530 408559829 /nfs/dbraw/zinc/55/98/29/408559829.db2.gz VFYIJXGCLMXKKZ-WBVHZDCISA-N 2 1 303.450 1.963 20 70 DDIDMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000161099530 408559833 /nfs/dbraw/zinc/55/98/33/408559833.db2.gz VFYIJXGCLMXKKZ-WBVHZDCISA-N 2 1 303.450 1.963 20 70 DDIDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000217031805 163330758 /nfs/dbraw/zinc/33/07/58/163330758.db2.gz KIRMKRLLZWGKHR-ZFWWWQNUSA-N 2 1 307.463 1.828 20 70 DDIDMP CCCS(=O)(=O)NC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161396751 408598362 /nfs/dbraw/zinc/59/83/62/408598362.db2.gz BOQHFOLXIDUVLK-OAHLLOKOSA-N 2 1 317.499 1.265 20 70 DDIDMP CCC[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1C)N(C)C ZINC000160584563 408500036 /nfs/dbraw/zinc/50/00/36/408500036.db2.gz XCJXQIQPZMNLJP-HNNXBMFYSA-N 2 1 320.437 1.895 20 70 DDIDMP CCc1nnc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[nH]1 ZINC000159544709 408415902 /nfs/dbraw/zinc/41/59/02/408415902.db2.gz FYXHVLUEWSGNGV-YIONKMFJSA-N 2 1 318.469 1.110 20 70 DDIDMP CCc1nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n[nH]1 ZINC000159544709 408415910 /nfs/dbraw/zinc/41/59/10/408415910.db2.gz FYXHVLUEWSGNGV-YIONKMFJSA-N 2 1 318.469 1.110 20 70 DDIDMP CC[N@@H+](C)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000159589287 186129146 /nfs/dbraw/zinc/12/91/46/186129146.db2.gz FQTPCNZSQOPMSR-DOTOQJQBSA-N 2 1 318.465 1.758 20 70 DDIDMP CC[NH+](C)CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159589287 186129148 /nfs/dbraw/zinc/12/91/48/186129148.db2.gz FQTPCNZSQOPMSR-DOTOQJQBSA-N 2 1 318.465 1.758 20 70 DDIDMP CC[NH+](C)CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000159589287 186129150 /nfs/dbraw/zinc/12/91/50/186129150.db2.gz FQTPCNZSQOPMSR-DOTOQJQBSA-N 2 1 318.465 1.758 20 70 DDIDMP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000160978721 484070714 /nfs/dbraw/zinc/07/07/14/484070714.db2.gz UXOSUNGFYWSPDZ-COXVUDFISA-N 2 1 301.434 1.819 20 70 DDIDMP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000160978721 484070721 /nfs/dbraw/zinc/07/07/21/484070721.db2.gz UXOSUNGFYWSPDZ-COXVUDFISA-N 2 1 301.434 1.819 20 70 DDIDMP COc1ccc(CNC(=O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000160958448 539220816 /nfs/dbraw/zinc/22/08/16/539220816.db2.gz RESLVHKNXLWXQV-DZGCQCFKSA-N 2 1 305.422 1.384 20 70 DDIDMP COc1ccc(CNC(=O)C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000160958448 539220818 /nfs/dbraw/zinc/22/08/18/539220818.db2.gz RESLVHKNXLWXQV-DZGCQCFKSA-N 2 1 305.422 1.384 20 70 DDIDMP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000159788127 197364752 /nfs/dbraw/zinc/36/47/52/197364752.db2.gz VRHCTAUFEPUHEB-CQSZACIVSA-N 2 1 307.442 1.565 20 70 DDIDMP CC[N@H+]1CCCN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000159788127 197364754 /nfs/dbraw/zinc/36/47/54/197364754.db2.gz VRHCTAUFEPUHEB-CQSZACIVSA-N 2 1 307.442 1.565 20 70 DDIDMP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000160705367 408515274 /nfs/dbraw/zinc/51/52/74/408515274.db2.gz ADQZIVKOPGKBBT-HNNXBMFYSA-N 2 1 322.497 1.987 20 70 DDIDMP CC[NH+]1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159624085 408421609 /nfs/dbraw/zinc/42/16/09/408421609.db2.gz MGUAIBWNZCRRIA-JKSUJKDBSA-N 2 1 310.486 1.844 20 70 DDIDMP CCC([NH3+])(CC)CNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160514371 408492200 /nfs/dbraw/zinc/49/22/00/408492200.db2.gz DXXFYBURSKNQKE-KFWWJZLASA-N 2 1 313.486 1.754 20 70 DDIDMP